Browse entries in the PDBbind-CN Database
HEADER UNKNOWN FUNCTION/DNA 24-MAR-18 5ZKL TITLE CRYSTAL STRUCTURE OF STREPTOCOCCUS PNEUMONIAE SP_0782 (RESIDUES 7-79) TITLE 2 IN COMPLEX WITH SINGLE-STRANDED DNA DT12 COMPND MOL_ID: 1; COMPND 2 MOLECULE: SP_0782; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'); COMPND 7 CHAIN: B; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE R6; SOURCE 3 ORGANISM_TAXID: 171101; SOURCE 4 STRAIN: ATCC BAA-255 / R6; SOURCE 5 GENE: SPR0690, SP_0782; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET21; SOURCE 11 MOL_ID: 2; SOURCE 12 SYNTHETIC: YES; SOURCE 13 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 14 ORGANISM_TAXID: 32630 KEYWDS PROTEIN-DNA COMPLEX, UNKNOWN FUNCTION-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR G.LU,S.LI,J.ZHU,Y.YANG,P.GONG REVDAT 3 22-JAN-20 5ZKL 1 JRNL REVDAT 2 27-NOV-19 5ZKL 1 JRNL REVDAT 1 27-MAR-19 5ZKL 0 JRNL AUTH S.LI,G.LU,X.FANG,T.A.RAMELOT,M.A.KENNEDY,X.ZHOU,P.GONG, JRNL AUTH 2 X.ZHANG,M.LIU,J.ZHU,Y.YANG JRNL TITL STRUCTURAL INSIGHT INTO THE LENGTH-DEPENDENT BINDING OF JRNL TITL 2 SSDNA BY SP_0782 FROM STREPTOCOCCUS PNEUMONIAE, REVEALS A JRNL TITL 3 DIVERGENCE IN THE DNA-BINDING INTERFACE OF PC4-LIKE JRNL TITL 4 PROTEINS. JRNL REF NUCLEIC ACIDS RES. V. 48 432 2020 JRNL REFN ESSN 1362-4962 JRNL PMID 31713614 JRNL DOI 10.1093/NAR/GKZ1045 REMARK 2 REMARK 2 RESOLUTION. 1.95 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.11.1_2575 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 : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.95 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 23.63 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.550 REMARK 3 COMPLETENESS FOR RANGE (%) : 87.8 REMARK 3 NUMBER OF REFLECTIONS : 5518 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.184 REMARK 3 R VALUE (WORKING SET) : 0.182 REMARK 3 FREE R VALUE : 0.210 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.500 REMARK 3 FREE R VALUE TEST SET COUNT : 524 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 23.6278 - 3.0946 1.00 1443 168 0.1729 0.1860 REMARK 3 2 3.0946 - 2.4571 1.00 1440 120 0.1953 0.2521 REMARK 3 3 2.4571 - 2.1467 0.85 1204 128 0.1871 0.2274 REMARK 3 4 2.1467 - 1.9506 0.66 907 108 0.1774 0.2159 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 : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.180 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 21.650 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 17.76 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 20.41 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL 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 : 0.007 628 REMARK 3 ANGLE : 0.785 863 REMARK 3 CHIRALITY : 0.051 93 REMARK 3 PLANARITY : 0.005 98 REMARK 3 DIHEDRAL : 17.096 352 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 5ZKL COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 29-MAR-18. REMARK 100 THE DEPOSITION ID IS D_1300005823. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 07-NOV-16 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 3.4 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRF REMARK 200 BEAMLINE : BL19U1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9785 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS3 6M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 6092 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.950 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.0 REMARK 200 DATA REDUNDANCY : 5.900 REMARK 200 R MERGE (I) : 0.04700 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 14.2000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.95 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.02 REMARK 200 COMPLETENESS FOR SHELL (%) : 84.3 REMARK 200 DATA REDUNDANCY IN SHELL : 4.90 REMARK 200 R MERGE FOR SHELL (I) : 0.28100 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: 3OBH REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 24.45 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.63 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 3350, PH 3.4, EVAPORATION, REMARK 280 TEMPERATURE 289K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 41 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 3555 -Y,X+1/2,Z+1/4 REMARK 290 4555 Y+1/2,-X,Z+3/4 REMARK 290 5555 X+1/2,Y+1/2,Z+1/2 REMARK 290 6555 -X,-Y,Z REMARK 290 7555 -Y+1/2,X,Z+3/4 REMARK 290 8555 Y,-X+1/2,Z+1/4 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 33.15950 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 33.15950 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 19.54150 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 33.15950 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 9.77075 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 33.15950 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 29.31225 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 33.15950 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 33.15950 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 19.54150 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 -1.000000 0.000000 33.15950 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 1.000000 29.31225 REMARK 290 SMTRY1 8 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 33.15950 REMARK 290 SMTRY3 8 0.000000 0.000000 1.000000 9.77075 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: 1070 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 5020 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 MET A 6 REMARK 465 LYS A 7 REMARK 465 LYS A 8 REMARK 465 MET A 9 REMARK 465 ALA A 10 REMARK 465 LYS A 77 REMARK 465 GLY A 78 REMARK 465 ASN A 79 REMARK 465 LEU A 80 REMARK 465 GLU A 81 REMARK 465 HIS A 82 REMARK 465 HIS A 83 REMARK 465 HIS A 84 REMARK 465 HIS A 85 REMARK 465 HIS A 86 REMARK 465 HIS A 87 REMARK 465 DT B 6 REMARK 465 DT B 7 REMARK 465 DT B 8 REMARK 465 DT B 9 REMARK 465 DT B 10 REMARK 465 DT B 11 REMARK 465 DT B 12 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLU A 11 CG CD OE1 OE2 REMARK 470 GLN A 70 CG CD OE1 NE2 REMARK 470 DT B 1 O5' C5' REMARK 470 DT B 5 C5' C4' O4' C3' O3' C2' C1' REMARK 470 DT B 5 N1 C2 O2 N3 C4 O4 C5 REMARK 470 DT B 5 C7 C6 DBREF 5ZKL A 7 79 UNP Q8DQG2 Q8DQG2_STRR6 7 79 DBREF 5ZKL B 1 12 PDB 5ZKL 5ZKL 1 12 SEQADV 5ZKL MET A 6 UNP Q8DQG2 EXPRESSION TAG SEQADV 5ZKL LEU A 80 UNP Q8DQG2 EXPRESSION TAG SEQADV 5ZKL GLU A 81 UNP Q8DQG2 EXPRESSION TAG SEQADV 5ZKL HIS A 82 UNP Q8DQG2 EXPRESSION TAG SEQADV 5ZKL HIS A 83 UNP Q8DQG2 EXPRESSION TAG SEQADV 5ZKL HIS A 84 UNP Q8DQG2 EXPRESSION TAG SEQADV 5ZKL HIS A 85 UNP Q8DQG2 EXPRESSION TAG SEQADV 5ZKL HIS A 86 UNP Q8DQG2 EXPRESSION TAG SEQADV 5ZKL HIS A 87 UNP Q8DQG2 EXPRESSION TAG SEQRES 1 A 82 MET LYS LYS MET ALA GLU PHE THR PHE GLU ILE GLU GLU SEQRES 2 A 82 HIS LEU LEU THR LEU SER GLU ASN GLU LYS GLY TRP THR SEQRES 3 A 82 LYS GLU ILE ASN ARG VAL SER PHE ASN GLY ALA PRO ALA SEQRES 4 A 82 LYS PHE ASP ILE ARG ALA TRP SER PRO ASP HIS THR LYS SEQRES 5 A 82 MET GLY LYS GLY ILE THR LEU SER ASN GLU GLU PHE GLN SEQRES 6 A 82 THR MET VAL ASP ALA PHE LYS GLY ASN LEU GLU HIS HIS SEQRES 7 A 82 HIS HIS HIS HIS SEQRES 1 B 12 DT DT DT DT DT DT DT DT DT DT DT DT FORMUL 3 HOH *49(H2 O) HELIX 1 AA1 SER A 65 PHE A 76 1 12 SHEET 1 AA1 4 PHE A 14 GLU A 25 0 SHEET 2 AA1 4 THR A 31 PHE A 39 -1 O LYS A 32 N LEU A 23 SHEET 3 AA1 4 LYS A 45 TRP A 51 -1 O ARG A 49 N GLU A 33 SHEET 4 AA1 4 MET A 58 LEU A 64 -1 O LEU A 64 N PHE A 46 CRYST1 66.319 66.319 39.083 90.00 90.00 90.00 I 41 8 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 0.015079 0.000000 0.000000 0.00000 SCALE2 0.000000 0.015079 0.000000 0.00000 SCALE3 0.000000 0.000000 0.025587 0.00000 ATOM 1 N GLU A 11 14.064 6.120 0.785 1.00 42.41 N ATOM 2 CA GLU A 11 15.037 5.757 1.811 1.00 43.24 C ATOM 3 C GLU A 11 14.413 5.749 3.210 1.00 36.41 C ATOM 4 O GLU A 11 13.744 6.705 3.609 1.00 41.71 O ATOM 5 CB GLU A 11 16.229 6.715 1.777 1.00 38.47 C ATOM 6 N PHE A 12 14.647 4.667 3.952 1.00 28.09 N ATOM 7 CA PHE A 12 14.160 4.538 5.319 1.00 24.77 C ATOM 8 C PHE A 12 14.861 3.351 5.970 1.00 20.30 C ATOM 9 O PHE A 12 15.121 2.346 5.303 1.00 18.67 O ATOM 10 CB PHE A 12 12.633 4.381 5.326 1.00 31.09 C ATOM 11 CG PHE A 12 12.113 3.412 6.333 1.00 25.19 C ATOM 12 CD1 PHE A 12 12.000 3.772 7.663 1.00 31.89 C ATOM 13 CD2 PHE A 12 11.709 2.154 5.951 1.00 31.20 C ATOM 14 CE1 PHE A 12 11.525 2.884 8.595 1.00 27.39 C ATOM 15 CE2 PHE A 12 11.225 1.263 6.885 1.00 32.00 C ATOM 16 CZ PHE A 12 11.133 1.632 8.209 1.00 26.18 C ATOM 17 N THR A 13 15.211 3.490 7.256 1.00 19.48 N ATOM 18 CA THR A 13 15.867 2.425 8.007 1.00 17.58 C ATOM 19 C THR A 13 15.215 2.231 9.367 1.00 16.15 C ATOM 20 O THR A 13 14.630 3.158 9.927 1.00 14.50 O ATOM 21 CB THR A 13 17.359 2.701 8.243 1.00 17.12 C ATOM 22 OG1 THR A 13 17.504 3.816 9.132 1.00 20.31 O ATOM 23 CG2 THR A 13 18.065 2.980 6.936 1.00 19.65 C ATOM 24 N PHE A 14 15.363 1.019 9.913 1.00 12.95 N ATOM 25 CA PHE A 14 14.876 0.701 11.252 1.00 13.99 C ATOM 26 C PHE A 14 15.877 -0.181 11.985 1.00 12.47 C ATOM 27 O PHE A 14 16.600 -0.974 11.368 1.00 11.54 O ATOM 28 CB PHE A 14 13.501 -0.005 11.215 1.00 13.59 C ATOM 29 CG PHE A 14 13.528 -1.392 10.605 1.00 11.49 C ATOM 30 CD1 PHE A 14 13.410 -1.565 9.241 1.00 10.45 C ATOM 31 CD2 PHE A 14 13.631 -2.518 11.407 1.00 11.97 C ATOM 32 CE1 PHE A 14 13.416 -2.839 8.688 1.00 13.12 C ATOM 33 CE2 PHE A 14 13.639 -3.778 10.866 1.00 8.56 C ATOM 34 CZ PHE A 14 13.530 -3.945 9.501 1.00 11.70 C ATOM 35 N GLU A 15 15.914 -0.032 13.314 1.00 10.68 N ATOM 36 CA GLU A 15 16.729 -0.892 14.171 1.00 13.20 C ATOM 37 C GLU A 15 16.016 -1.136 15.495 1.00 13.85 C ATOM 38 O GLU A 15 15.655 -0.181 16.189 1.00 12.44 O ATOM 39 CB GLU A 15 18.113 -0.272 14.415 1.00 14.36 C ATOM 40 CG GLU A 15 18.883 -0.910 15.570 1.00 13.86 C ATOM 41 CD GLU A 15 19.543 -2.225 15.204 1.00 19.10 C ATOM 42 OE1 GLU A 15 19.251 -2.765 14.105 1.00 18.37 O ATOM 43 OE2 GLU A 15 20.375 -2.720 16.014 1.00 20.11 O ATOM 44 N ILE A 16 15.814 -2.404 15.847 1.00 12.22 N ATOM 45 CA ILE A 16 15.268 -2.762 17.153 1.00 12.35 C ATOM 46 C ILE A 16 16.403 -2.629 18.164 1.00 15.11 C ATOM 47 O ILE A 16 17.353 -3.419 18.151 1.00 14.48 O ATOM 48 CB ILE A 16 14.673 -4.176 17.165 1.00 12.67 C ATOM 49 CG1 ILE A 16 13.433 -4.268 16.259 1.00 11.98 C ATOM 50 CG2 ILE A 16 14.308 -4.595 18.594 1.00 10.76 C ATOM 51 CD1 ILE A 16 13.004 -5.700 15.941 1.00 12.94 C ATOM 52 N GLU A 17 16.321 -1.606 19.020 1.00 14.29 N ATOM 53 CA GLU A 17 17.361 -1.355 20.011 1.00 19.58 C ATOM 54 C GLU A 17 17.183 -2.208 21.247 1.00 22.57 C ATOM 55 O GLU A 17 18.172 -2.591 21.881 1.00 20.63 O ATOM 56 CB GLU A 17 17.367 0.110 20.425 1.00 18.47 C ATOM 57 CG GLU A 17 17.360 1.034 19.273 1.00 22.11 C ATOM 58 CD GLU A 17 18.727 1.577 19.008 1.00 33.19 C ATOM 59 OE1 GLU A 17 18.898 2.791 19.209 1.00 27.65 O ATOM 60 OE2 GLU A 17 19.629 0.788 18.628 1.00 30.10 O ATOM 61 N GLU A 18 15.943 -2.518 21.597 1.00 16.61 N ATOM 62 CA GLU A 18 15.678 -3.310 22.782 1.00 18.65 C ATOM 63 C GLU A 18 14.333 -3.996 22.608 1.00 16.95 C ATOM 64 O GLU A 18 13.370 -3.370 22.164 1.00 13.26 O ATOM 65 CB GLU A 18 15.677 -2.418 24.024 1.00 20.16 C ATOM 66 CG GLU A 18 15.807 -3.157 25.328 1.00 24.12 C ATOM 67 CD GLU A 18 15.593 -2.235 26.507 1.00 29.44 C ATOM 68 OE1 GLU A 18 15.555 -1.006 26.286 1.00 31.90 O ATOM 69 OE2 GLU A 18 15.452 -2.737 27.644 1.00 35.72 O ATOM 70 N HIS A 19 14.278 -5.276 22.940 1.00 14.33 N ATOM 71 CA HIS A 19 13.021 -6.004 22.954 1.00 13.95 C ATOM 72 C HIS A 19 12.449 -5.990 24.364 1.00 19.76 C ATOM 73 O HIS A 19 13.117 -6.409 25.319 1.00 18.03 O ATOM 74 CB HIS A 19 13.221 -7.437 22.476 1.00 15.78 C ATOM 75 CG HIS A 19 12.020 -8.308 22.675 1.00 14.13 C ATOM 76 ND1 HIS A 19 10.841 -8.124 21.982 1.00 12.53 N ATOM 77 CD2 HIS A 19 11.819 -9.373 23.487 1.00 16.51 C ATOM 78 CE1 HIS A 19 9.968 -9.042 22.356 1.00 15.12 C ATOM 79 NE2 HIS A 19 10.536 -9.812 23.270 1.00 18.23 N ATOM 80 N LEU A 20 11.210 -5.527 24.501 1.00 12.14 N ATOM 81 CA LEU A 20 10.613 -5.403 25.822 1.00 15.57 C ATOM 82 C LEU A 20 9.611 -6.503 26.124 1.00 18.11 C ATOM 83 O LEU A 20 9.650 -7.084 27.215 1.00 16.64 O ATOM 84 CB LEU A 20 9.935 -4.035 25.974 1.00 15.81 C ATOM 85 CG LEU A 20 10.838 -2.806 25.823 1.00 16.64 C ATOM 86 CD1 LEU A 20 10.100 -1.532 26.207 1.00 18.67 C ATOM 87 CD2 LEU A 20 12.104 -2.953 26.651 1.00 19.95 C ATOM 88 N LEU A 21 8.730 -6.827 25.179 1.00 12.03 N ATOM 89 CA LEU A 21 7.660 -7.768 25.466 1.00 11.26 C ATOM 90 C LEU A 21 7.139 -8.351 24.163 1.00 13.09 C ATOM 91 O LEU A 21 6.990 -7.632 23.172 1.00 10.91 O ATOM 92 CB LEU A 21 6.526 -7.074 26.240 1.00 12.94 C ATOM 93 CG LEU A 21 5.413 -7.918 26.877 1.00 14.93 C ATOM 94 CD1 LEU A 21 5.948 -8.831 27.966 1.00 18.50 C ATOM 95 CD2 LEU A 21 4.309 -7.028 27.444 1.00 18.57 C ATOM 96 N THR A 22 6.861 -9.650 24.169 1.00 9.78 N ATOM 97 CA THR A 22 6.112 -10.284 23.095 1.00 11.05 C ATOM 98 C THR A 22 4.694 -10.537 23.579 1.00 12.78 C ATOM 99 O THR A 22 4.498 -11.120 24.647 1.00 13.03 O ATOM 100 CB THR A 22 6.765 -11.592 22.642 1.00 12.29 C ATOM 101 OG1 THR A 22 8.043 -11.306 22.077 1.00 17.16 O ATOM 102 CG2 THR A 22 5.917 -12.260 21.583 1.00 13.00 C ATOM 103 N LEU A 23 3.710 -10.081 22.801 1.00 9.74 N ATOM 104 CA LEU A 23 2.303 -10.174 23.182 1.00 11.48 C ATOM 105 C LEU A 23 1.594 -11.408 22.643 1.00 14.45 C ATOM 106 O LEU A 23 0.644 -11.878 23.281 1.00 17.34 O ATOM 107 CB LEU A 23 1.541 -8.938 22.692 1.00 9.16 C ATOM 108 CG LEU A 23 2.071 -7.608 23.230 1.00 11.97 C ATOM 109 CD1 LEU A 23 1.186 -6.470 22.778 1.00 9.12 C ATOM 110 CD2 LEU A 23 2.109 -7.678 24.727 1.00 13.10 C ATOM 111 N SER A 24 1.999 -11.917 21.478 1.00 10.72 N ATOM 112 CA SER A 24 1.402 -13.110 20.885 1.00 13.83 C ATOM 113 C SER A 24 2.178 -13.453 19.618 1.00 13.29 C ATOM 114 O SER A 24 2.969 -12.653 19.111 1.00 11.56 O ATOM 115 CB SER A 24 -0.087 -12.922 20.563 1.00 15.00 C ATOM 116 OG SER A 24 -0.265 -12.065 19.446 1.00 14.75 O ATOM 117 N GLU A 25 1.951 -14.667 19.122 1.00 9.79 N ATOM 118 CA GLU A 25 2.548 -15.139 17.883 1.00 10.26 C ATOM 119 C GLU A 25 1.482 -15.889 17.101 1.00 13.51 C ATOM 120 O GLU A 25 0.603 -16.515 17.696 1.00 11.73 O ATOM 121 CB GLU A 25 3.759 -16.041 18.164 1.00 10.87 C ATOM 122 CG GLU A 25 4.381 -16.629 16.925 1.00 10.56 C ATOM 123 CD GLU A 25 5.543 -17.532 17.223 1.00 12.85 C ATOM 124 OE1 GLU A 25 6.188 -17.365 18.282 1.00 10.22 O ATOM 125 OE2 GLU A 25 5.800 -18.417 16.386 1.00 11.55 O ATOM 126 N ASN A 26 1.526 -15.795 15.774 1.00 10.92 N ATOM 127 CA ASN A 26 0.493 -16.416 14.955 1.00 14.24 C ATOM 128 C ASN A 26 1.047 -17.634 14.206 1.00 17.86 C ATOM 129 O ASN A 26 2.226 -17.994 14.323 1.00 16.87 O ATOM 130 CB ASN A 26 -0.149 -15.389 14.006 1.00 13.51 C ATOM 131 CG ASN A 26 0.763 -14.957 12.877 1.00 13.93 C ATOM 132 OD1 ASN A 26 1.768 -15.589 12.586 1.00 15.88 O ATOM 133 ND2 ASN A 26 0.401 -13.866 12.225 1.00 17.48 N ATOM 134 N GLU A 27 0.171 -18.259 13.413 1.00 19.94 N ATOM 135 CA GLU A 27 0.506 -19.524 12.761 1.00 19.89 C ATOM 136 C GLU A 27 1.659 -19.376 11.773 1.00 22.06 C ATOM 137 O GLU A 27 2.356 -20.353 11.483 1.00 23.83 O ATOM 138 CB GLU A 27 -0.735 -20.092 12.060 1.00 23.84 C ATOM 139 CG GLU A 27 -1.172 -19.341 10.794 1.00 25.92 C ATOM 140 CD GLU A 27 -1.988 -18.089 11.096 1.00 35.29 C ATOM 141 OE1 GLU A 27 -2.555 -18.010 12.207 1.00 34.90 O ATOM 142 OE2 GLU A 27 -2.078 -17.188 10.220 1.00 37.83 O ATOM 143 N LYS A 28 1.878 -18.179 11.247 1.00 20.68 N ATOM 144 CA LYS A 28 3.014 -17.955 10.367 1.00 22.87 C ATOM 145 C LYS A 28 4.283 -17.608 11.130 1.00 20.29 C ATOM 146 O LYS A 28 5.300 -17.307 10.505 1.00 19.98 O ATOM 147 CB LYS A 28 2.681 -16.849 9.367 1.00 20.52 C ATOM 148 CG LYS A 28 1.321 -17.034 8.707 1.00 32.05 C ATOM 149 CD LYS A 28 0.984 -15.889 7.770 1.00 35.16 C ATOM 150 CE LYS A 28 1.665 -16.065 6.432 1.00 38.96 C ATOM 151 NZ LYS A 28 1.104 -17.242 5.705 1.00 43.20 N ATOM 152 N GLY A 29 4.253 -17.634 12.458 1.00 16.64 N ATOM 153 CA GLY A 29 5.420 -17.259 13.224 1.00 14.26 C ATOM 154 C GLY A 29 5.655 -15.763 13.382 1.00 13.39 C ATOM 155 O GLY A 29 6.656 -15.380 13.999 1.00 11.42 O ATOM 156 N TRP A 30 4.779 -14.907 12.857 1.00 12.23 N ATOM 157 CA TRP A 30 4.905 -13.479 13.120 1.00 12.20 C ATOM 158 C TRP A 30 4.459 -13.168 14.544 1.00 11.53 C ATOM 159 O TRP A 30 3.471 -13.718 15.031 1.00 13.68 O ATOM 160 CB TRP A 30 4.068 -12.662 12.141 1.00 14.33 C ATOM 161 CG TRP A 30 4.620 -12.584 10.749 1.00 16.61 C ATOM 162 CD1 TRP A 30 4.917 -13.636 9.926 1.00 15.39 C ATOM 163 CD2 TRP A 30 4.926 -11.389 10.001 1.00 14.34 C ATOM 164 NE1 TRP A 30 5.390 -13.167 8.720 1.00 17.42 N ATOM 165 CE2 TRP A 30 5.402 -11.796 8.741 1.00 16.56 C ATOM 166 CE3 TRP A 30 4.853 -10.022 10.281 1.00 13.87 C ATOM 167 CZ2 TRP A 30 5.804 -10.882 7.761 1.00 16.66 C ATOM 168 CZ3 TRP A 30 5.241 -9.123 9.309 1.00 15.67 C ATOM 169 CH2 TRP A 30 5.709 -9.556 8.061 1.00 14.49 C ATOM 170 N THR A 31 5.195 -12.287 15.214 1.00 9.91 N ATOM 171 CA THR A 31 4.955 -11.935 16.611 1.00 10.86 C ATOM 172 C THR A 31 4.513 -10.482 16.738 1.00 11.37 C ATOM 173 O THR A 31 5.008 -9.618 16.019 1.00 14.15 O ATOM 174 CB THR A 31 6.224 -12.139 17.434 1.00 10.95 C ATOM 175 OG1 THR A 31 7.298 -11.392 16.827 1.00 10.60 O ATOM 176 CG2 THR A 31 6.598 -13.614 17.471 1.00 10.95 C ATOM 177 N LYS A 32 3.597 -10.205 17.665 1.00 10.33 N ATOM 178 CA LYS A 32 3.309 -8.834 18.068 1.00 9.11 C ATOM 179 C LYS A 32 4.185 -8.499 19.266 1.00 9.20 C ATOM 180 O LYS A 32 4.212 -9.257 20.237 1.00 9.48 O ATOM 181 CB LYS A 32 1.826 -8.661 18.426 1.00 11.28 C ATOM 182 CG LYS A 32 0.898 -8.554 17.233 1.00 11.98 C ATOM 183 CD LYS A 32 -0.554 -8.342 17.687 1.00 11.53 C ATOM 184 CE LYS A 32 -1.491 -8.203 16.513 1.00 16.68 C ATOM 185 NZ LYS A 32 -2.908 -8.262 16.956 1.00 15.24 N ATOM 186 N GLU A 33 4.917 -7.381 19.189 1.00 7.86 N ATOM 187 CA GLU A 33 5.958 -7.060 20.167 1.00 8.05 C ATOM 188 C GLU A 33 5.890 -5.596 20.575 1.00 7.08 C ATOM 189 O GLU A 33 5.448 -4.745 19.801 1.00 7.49 O ATOM 190 CB GLU A 33 7.365 -7.333 19.614 1.00 9.02 C ATOM 191 CG GLU A 33 7.576 -8.775 19.193 1.00 10.45 C ATOM 192 CD GLU A 33 8.983 -9.041 18.711 1.00 12.90 C ATOM 193 OE1 GLU A 33 9.845 -8.123 18.810 1.00 9.11 O ATOM 194 OE2 GLU A 33 9.216 -10.176 18.231 1.00 11.98 O ATOM 195 N ILE A 34 6.322 -5.318 21.810 1.00 7.80 N ATOM 196 CA ILE A 34 6.650 -3.971 22.262 1.00 5.77 C ATOM 197 C ILE A 34 8.169 -3.880 22.328 1.00 9.65 C ATOM 198 O ILE A 34 8.813 -4.591 23.120 1.00 10.74 O ATOM 199 CB ILE A 34 6.022 -3.634 23.624 1.00 9.30 C ATOM 200 CG1 ILE A 34 4.512 -3.883 23.610 1.00 11.21 C ATOM 201 CG2 ILE A 34 6.329 -2.197 24.014 1.00 11.09 C ATOM 202 CD1 ILE A 34 3.828 -3.639 24.949 1.00 16.50 C ATOM 203 N ASN A 35 8.741 -3.021 21.485 1.00 9.15 N ATOM 204 CA ASN A 35 10.183 -2.843 21.357 1.00 10.25 C ATOM 205 C ASN A 35 10.508 -1.357 21.443 1.00 11.38 C ATOM 206 O ASN A 35 9.637 -0.501 21.306 1.00 11.21 O ATOM 207 CB ASN A 35 10.715 -3.397 20.016 1.00 8.39 C ATOM 208 CG ASN A 35 10.507 -4.895 19.856 1.00 9.80 C ATOM 209 OD1 ASN A 35 10.803 -5.683 20.756 1.00 10.84 O ATOM 210 ND2 ASN A 35 10.017 -5.299 18.689 1.00 9.41 N ATOM 211 N ARG A 36 11.785 -1.049 21.667 1.00 10.84 N ATOM 212 CA ARG A 36 12.323 0.281 21.414 1.00 12.21 C ATOM 213 C ARG A 36 13.021 0.219 20.063 1.00 12.91 C ATOM 214 O ARG A 36 13.913 -0.616 19.863 1.00 13.16 O ATOM 215 CB ARG A 36 13.286 0.722 22.518 1.00 17.26 C ATOM 216 CG ARG A 36 12.696 0.585 23.916 1.00 19.39 C ATOM 217 CD ARG A 36 13.071 1.740 24.822 1.00 24.22 C ATOM 218 NE ARG A 36 12.939 3.033 24.160 1.00 28.45 N ATOM 219 CZ ARG A 36 12.596 4.157 24.779 1.00 29.43 C ATOM 220 NH1 ARG A 36 12.500 5.294 24.100 1.00 28.50 N ATOM 221 NH2 ARG A 36 12.348 4.144 26.081 1.00 34.73 N ATOM 222 N VAL A 37 12.589 1.063 19.129 1.00 10.93 N ATOM 223 CA VAL A 37 13.023 0.982 17.740 1.00 10.35 C ATOM 224 C VAL A 37 13.497 2.360 17.297 1.00 15.96 C ATOM 225 O VAL A 37 12.799 3.356 17.506 1.00 11.57 O ATOM 226 CB VAL A 37 11.889 0.475 16.829 1.00 11.70 C ATOM 227 CG1 VAL A 37 12.357 0.320 15.413 1.00 11.54 C ATOM 228 CG2 VAL A 37 11.344 -0.865 17.349 1.00 10.22 C ATOM 229 N SER A 38 14.676 2.421 16.685 1.00 11.72 N ATOM 230 CA SER A 38 15.151 3.650 16.062 1.00 14.31 C ATOM 231 C SER A 38 14.778 3.652 14.585 1.00 16.00 C ATOM 232 O SER A 38 15.091 2.703 13.857 1.00 15.47 O ATOM 233 CB SER A 38 16.667 3.795 16.201 1.00 19.57 C ATOM 234 OG SER A 38 17.134 4.829 15.346 1.00 18.01 O ATOM 235 N PHE A 39 14.114 4.712 14.143 1.00 13.48 N ATOM 236 CA PHE A 39 13.754 4.867 12.741 1.00 18.29 C ATOM 237 C PHE A 39 14.612 5.968 12.132 1.00 21.44 C ATOM 238 O PHE A 39 14.680 7.080 12.667 1.00 22.66 O ATOM 239 CB PHE A 39 12.260 5.169 12.589 1.00 16.92 C ATOM 240 CG PHE A 39 11.376 4.000 12.933 1.00 17.05 C ATOM 241 CD1 PHE A 39 11.289 2.914 12.088 1.00 21.52 C ATOM 242 CD2 PHE A 39 10.635 3.988 14.103 1.00 16.94 C ATOM 243 CE1 PHE A 39 10.479 1.823 12.408 1.00 22.72 C ATOM 244 CE2 PHE A 39 9.824 2.912 14.420 1.00 15.76 C ATOM 245 CZ PHE A 39 9.745 1.831 13.572 1.00 15.92 C ATOM 246 N ASN A 40 15.296 5.638 11.037 1.00 21.42 N ATOM 247 CA ASN A 40 16.220 6.565 10.377 1.00 20.45 C ATOM 248 C ASN A 40 17.266 7.089 11.350 1.00 21.77 C ATOM 249 O ASN A 40 17.604 8.271 11.342 1.00 29.29 O ATOM 250 CB ASN A 40 15.466 7.719 9.724 1.00 16.20 C ATOM 251 CG ASN A 40 14.465 7.243 8.717 1.00 22.07 C ATOM 252 OD1 ASN A 40 14.761 6.375 7.905 1.00 26.42 O ATOM 253 ND2 ASN A 40 13.256 7.773 8.786 1.00 26.80 N ATOM 254 N GLY A 41 17.779 6.205 12.200 1.00 22.94 N ATOM 255 CA GLY A 41 18.796 6.588 13.160 1.00 21.28 C ATOM 256 C GLY A 41 18.369 7.629 14.176 1.00 25.11 C ATOM 257 O GLY A 41 19.229 8.253 14.802 1.00 27.65 O ATOM 258 N ALA A 42 17.070 7.846 14.356 1.00 23.92 N ATOM 259 CA ALA A 42 16.589 8.759 15.390 1.00 19.44 C ATOM 260 C ALA A 42 16.679 8.084 16.756 1.00 23.75 C ATOM 261 O ALA A 42 16.904 6.875 16.854 1.00 23.31 O ATOM 262 CB ALA A 42 15.162 9.194 15.068 1.00 22.22 C ATOM 263 N PRO A 43 16.544 8.840 17.851 1.00 25.46 N ATOM 264 CA PRO A 43 16.493 8.186 19.164 1.00 20.83 C ATOM 265 C PRO A 43 15.295 7.248 19.220 1.00 17.50 C ATOM 266 O PRO A 43 14.233 7.533 18.665 1.00 20.60 O ATOM 267 CB PRO A 43 16.361 9.353 20.148 1.00 22.87 C ATOM 268 CG PRO A 43 16.931 10.526 19.417 1.00 24.00 C ATOM 269 CD PRO A 43 16.532 10.309 17.975 1.00 27.05 C ATOM 270 N ALA A 44 15.492 6.100 19.849 1.00 16.73 N ATOM 271 CA ALA A 44 14.520 5.027 19.724 1.00 17.09 C ATOM 272 C ALA A 44 13.210 5.428 20.381 1.00 18.45 C ATOM 273 O ALA A 44 13.181 6.185 21.355 1.00 19.82 O ATOM 274 CB ALA A 44 15.062 3.740 20.344 1.00 14.98 C ATOM 275 N LYS A 45 12.116 4.944 19.817 1.00 14.93 N ATOM 276 CA LYS A 45 10.804 5.178 20.391 1.00 15.84 C ATOM 277 C LYS A 45 10.183 3.840 20.760 1.00 15.36 C ATOM 278 O LYS A 45 10.676 2.769 20.390 1.00 12.89 O ATOM 279 CB LYS A 45 9.904 5.953 19.420 1.00 12.89 C ATOM 280 CG LYS A 45 10.442 7.348 19.083 1.00 19.49 C ATOM 281 CD LYS A 45 9.596 8.039 18.024 1.00 29.36 C ATOM 282 CE LYS A 45 10.003 9.509 17.872 1.00 34.66 C ATOM 283 NZ LYS A 45 11.487 9.678 17.811 1.00 37.24 N ATOM 284 N PHE A 46 9.108 3.904 21.530 1.00 13.64 N ATOM 285 CA PHE A 46 8.334 2.699 21.763 1.00 12.80 C ATOM 286 C PHE A 46 7.613 2.329 20.479 1.00 9.39 C ATOM 287 O PHE A 46 7.176 3.199 19.721 1.00 11.45 O ATOM 288 CB PHE A 46 7.360 2.909 22.915 1.00 13.29 C ATOM 289 CG PHE A 46 8.038 2.942 24.259 1.00 18.99 C ATOM 290 CD1 PHE A 46 8.532 4.132 24.768 1.00 18.69 C ATOM 291 CD2 PHE A 46 8.207 1.781 24.990 1.00 19.54 C ATOM 292 CE1 PHE A 46 9.173 4.163 25.998 1.00 24.84 C ATOM 293 CE2 PHE A 46 8.836 1.801 26.214 1.00 17.96 C ATOM 294 CZ PHE A 46 9.320 2.992 26.722 1.00 22.92 C ATOM 295 N ASP A 47 7.519 1.033 20.218 1.00 9.07 N ATOM 296 CA ASP A 47 6.960 0.554 18.965 1.00 7.98 C ATOM 297 C ASP A 47 6.193 -0.724 19.257 1.00 8.11 C ATOM 298 O ASP A 47 6.745 -1.669 19.825 1.00 9.32 O ATOM 299 CB ASP A 47 8.079 0.336 17.936 1.00 10.16 C ATOM 300 CG ASP A 47 7.563 0.114 16.530 1.00 9.05 C ATOM 301 OD1 ASP A 47 7.057 1.065 15.909 1.00 14.06 O ATOM 302 OD2 ASP A 47 7.695 -1.016 16.029 1.00 9.43 O ATOM 303 N ILE A 48 4.910 -0.734 18.916 1.00 7.36 N ATOM 304 CA ILE A 48 4.053 -1.891 19.116 1.00 7.45 C ATOM 305 C ILE A 48 3.656 -2.374 17.738 1.00 6.82 C ATOM 306 O ILE A 48 2.897 -1.698 17.044 1.00 5.20 O ATOM 307 CB ILE A 48 2.822 -1.554 19.963 1.00 6.35 C ATOM 308 CG1 ILE A 48 3.213 -0.681 21.150 1.00 10.50 C ATOM 309 CG2 ILE A 48 2.106 -2.829 20.372 1.00 9.13 C ATOM 310 CD1 ILE A 48 2.008 -0.169 21.943 1.00 11.30 C ATOM 311 N ARG A 49 4.151 -3.548 17.346 1.00 5.69 N ATOM 312 CA ARG A 49 4.139 -3.911 15.938 1.00 7.06 C ATOM 313 C ARG A 49 4.287 -5.414 15.779 1.00 7.12 C ATOM 314 O ARG A 49 4.864 -6.085 16.639 1.00 7.95 O ATOM 315 CB ARG A 49 5.286 -3.203 15.208 1.00 7.43 C ATOM 316 CG ARG A 49 5.280 -3.355 13.731 1.00 8.09 C ATOM 317 CD ARG A 49 6.426 -2.550 13.122 1.00 9.18 C ATOM 318 NE ARG A 49 6.364 -1.152 13.544 1.00 9.11 N ATOM 319 CZ ARG A 49 5.603 -0.226 12.961 1.00 10.18 C ATOM 320 NH1 ARG A 49 5.609 1.013 13.420 1.00 10.98 N ATOM 321 NH2 ARG A 49 4.854 -0.529 11.904 1.00 9.75 N ATOM 322 N ALA A 50 3.788 -5.925 14.654 1.00 8.42 N ATOM 323 CA ALA A 50 4.034 -7.294 14.235 1.00 10.80 C ATOM 324 C ALA A 50 5.339 -7.385 13.455 1.00 10.42 C ATOM 325 O ALA A 50 5.722 -6.454 12.738 1.00 8.05 O ATOM 326 CB ALA A 50 2.882 -7.816 13.375 1.00 13.30 C ATOM 327 N TRP A 51 5.998 -8.539 13.581 1.00 8.29 N ATOM 328 CA TRP A 51 7.335 -8.781 13.063 1.00 9.74 C ATOM 329 C TRP A 51 7.404 -10.182 12.484 1.00 11.25 C ATOM 330 O TRP A 51 6.871 -11.122 13.074 1.00 9.46 O ATOM 331 CB TRP A 51 8.403 -8.651 14.170 1.00 9.02 C ATOM 332 CG TRP A 51 8.550 -7.256 14.685 1.00 9.03 C ATOM 333 CD1 TRP A 51 7.916 -6.713 15.757 1.00 6.39 C ATOM 334 CD2 TRP A 51 9.378 -6.229 14.139 1.00 8.07 C ATOM 335 NE1 TRP A 51 8.303 -5.410 15.924 1.00 7.51 N ATOM 336 CE2 TRP A 51 9.193 -5.082 14.935 1.00 6.58 C ATOM 337 CE3 TRP A 51 10.263 -6.169 13.057 1.00 10.76 C ATOM 338 CZ2 TRP A 51 9.855 -3.890 14.685 1.00 6.77 C ATOM 339 CZ3 TRP A 51 10.913 -4.977 12.806 1.00 8.85 C ATOM 340 CH2 TRP A 51 10.711 -3.855 13.623 1.00 7.84 C ATOM 341 N SER A 52 8.077 -10.324 11.346 1.00 11.40 N ATOM 342 CA SER A 52 8.303 -11.645 10.773 1.00 12.51 C ATOM 343 C SER A 52 9.222 -12.453 11.693 1.00 13.58 C ATOM 344 O SER A 52 9.874 -11.894 12.585 1.00 10.95 O ATOM 345 CB SER A 52 8.894 -11.517 9.368 1.00 14.66 C ATOM 346 OG SER A 52 10.260 -11.171 9.444 1.00 12.80 O ATOM 347 N PRO A 53 9.298 -13.781 11.494 1.00 15.89 N ATOM 348 CA PRO A 53 10.097 -14.620 12.405 1.00 13.87 C ATOM 349 C PRO A 53 11.537 -14.170 12.609 1.00 17.50 C ATOM 350 O PRO A 53 12.037 -14.246 13.741 1.00 19.43 O ATOM 351 CB PRO A 53 10.029 -16.002 11.737 1.00 16.18 C ATOM 352 CG PRO A 53 8.728 -16.011 11.038 1.00 15.63 C ATOM 353 CD PRO A 53 8.504 -14.604 10.557 1.00 12.82 C ATOM 354 N ASP A 54 12.230 -13.703 11.571 1.00 15.93 N ATOM 355 CA ASP A 54 13.610 -13.267 11.759 1.00 18.04 C ATOM 356 C ASP A 54 13.723 -11.770 12.005 1.00 17.55 C ATOM 357 O ASP A 54 14.837 -11.241 12.062 1.00 15.84 O ATOM 358 CB ASP A 54 14.482 -13.683 10.568 1.00 21.31 C ATOM 359 CG ASP A 54 13.986 -13.140 9.249 1.00 27.57 C ATOM 360 OD1 ASP A 54 13.088 -12.270 9.234 1.00 24.13 O ATOM 361 OD2 ASP A 54 14.508 -13.587 8.204 1.00 32.58 O ATOM 362 N HIS A 55 12.595 -11.084 12.174 1.00 16.78 N ATOM 363 CA HIS A 55 12.524 -9.642 12.385 1.00 13.91 C ATOM 364 C HIS A 55 13.088 -8.853 11.210 1.00 14.25 C ATOM 365 O HIS A 55 13.436 -7.680 11.363 1.00 12.78 O ATOM 366 CB HIS A 55 13.214 -9.228 13.699 1.00 12.01 C ATOM 367 CG HIS A 55 12.589 -9.833 14.923 1.00 15.06 C ATOM 368 ND1 HIS A 55 12.957 -11.069 15.421 1.00 14.34 N ATOM 369 CD2 HIS A 55 11.594 -9.391 15.731 1.00 11.56 C ATOM 370 CE1 HIS A 55 12.233 -11.349 16.491 1.00 11.64 C ATOM 371 NE2 HIS A 55 11.394 -10.349 16.698 1.00 15.22 N ATOM 372 N THR A 56 13.160 -9.445 10.020 1.00 12.48 N ATOM 373 CA THR A 56 13.625 -8.694 8.856 1.00 13.98 C ATOM 374 C THR A 56 12.498 -8.055 8.069 1.00 14.70 C ATOM 375 O THR A 56 12.775 -7.246 7.179 1.00 13.29 O ATOM 376 CB THR A 56 14.442 -9.577 7.897 1.00 17.53 C ATOM 377 OG1 THR A 56 13.623 -10.647 7.413 1.00 20.87 O ATOM 378 CG2 THR A 56 15.657 -10.138 8.588 1.00 17.25 C ATOM 379 N LYS A 57 11.243 -8.375 8.370 1.00 13.21 N ATOM 380 CA LYS A 57 10.102 -7.710 7.759 1.00 15.30 C ATOM 381 C LYS A 57 9.234 -7.105 8.854 1.00 16.00 C ATOM 382 O LYS A 57 8.905 -7.779 9.834 1.00 13.15 O ATOM 383 CB LYS A 57 9.281 -8.680 6.897 1.00 18.72 C ATOM 384 CG LYS A 57 10.110 -9.489 5.905 1.00 21.16 C ATOM 385 CD LYS A 57 9.225 -10.304 4.990 1.00 22.09 C ATOM 386 CE LYS A 57 10.023 -10.981 3.889 1.00 32.59 C ATOM 387 NZ LYS A 57 9.133 -11.827 3.040 1.00 42.70 N ATOM 388 N MET A 58 8.901 -5.827 8.700 1.00 17.96 N ATOM 389 CA MET A 58 7.975 -5.157 9.598 1.00 14.86 C ATOM 390 C MET A 58 6.542 -5.449 9.186 1.00 15.32 C ATOM 391 O MET A 58 6.224 -5.549 7.998 1.00 15.81 O ATOM 392 CB MET A 58 8.172 -3.638 9.571 1.00 14.75 C ATOM 393 CG MET A 58 9.447 -3.120 10.150 1.00 19.78 C ATOM 394 SD MET A 58 9.564 -1.340 9.881 1.00 22.77 S ATOM 395 CE MET A 58 8.247 -0.733 10.899 1.00 23.63 C ATOM 396 N GLY A 59 5.659 -5.536 10.182 1.00 13.44 N ATOM 397 CA GLY A 59 4.240 -5.528 9.952 1.00 13.43 C ATOM 398 C GLY A 59 3.575 -4.242 10.406 1.00 13.75 C ATOM 399 O GLY A 59 4.218 -3.204 10.609 1.00 11.13 O ATOM 400 N LYS A 60 2.258 -4.309 10.541 1.00 12.46 N ATOM 401 CA LYS A 60 1.485 -3.157 10.971 1.00 12.76 C ATOM 402 C LYS A 60 1.702 -2.897 12.456 1.00 10.02 C ATOM 403 O LYS A 60 1.845 -3.827 13.262 1.00 8.98 O ATOM 404 CB LYS A 60 0.005 -3.390 10.678 1.00 18.45 C ATOM 405 CG LYS A 60 -0.269 -3.768 9.215 1.00 22.85 C ATOM 406 CD LYS A 60 -1.498 -4.636 9.108 1.00 29.61 C ATOM 407 CE LYS A 60 -2.140 -4.533 7.734 1.00 38.04 C ATOM 408 NZ LYS A 60 -3.541 -5.055 7.761 1.00 35.57 N ATOM 409 N GLY A 61 1.737 -1.624 12.818 1.00 11.08 N ATOM 410 CA GLY A 61 1.972 -1.287 14.204 1.00 8.21 C ATOM 411 C GLY A 61 1.922 0.207 14.404 1.00 9.53 C ATOM 412 O GLY A 61 1.582 0.963 13.494 1.00 10.10 O ATOM 413 N ILE A 62 2.279 0.629 15.612 1.00 7.83 N ATOM 414 CA ILE A 62 2.240 2.038 15.965 1.00 8.50 C ATOM 415 C ILE A 62 3.512 2.398 16.716 1.00 7.94 C ATOM 416 O ILE A 62 4.020 1.606 17.515 1.00 7.80 O ATOM 417 CB ILE A 62 0.982 2.377 16.792 1.00 8.30 C ATOM 418 CG1 ILE A 62 0.852 3.888 16.957 1.00 9.50 C ATOM 419 CG2 ILE A 62 0.984 1.667 18.149 1.00 10.45 C ATOM 420 CD1 ILE A 62 -0.556 4.361 16.850 1.00 10.02 C ATOM 421 N THR A 63 4.034 3.583 16.450 1.00 8.47 N ATOM 422 CA THR A 63 5.156 4.118 17.207 1.00 12.24 C ATOM 423 C THR A 63 4.648 5.132 18.216 1.00 12.82 C ATOM 424 O THR A 63 3.770 5.940 17.906 1.00 15.93 O ATOM 425 CB THR A 63 6.183 4.780 16.290 1.00 18.13 C ATOM 426 OG1 THR A 63 5.651 6.034 15.831 1.00 23.96 O ATOM 427 CG2 THR A 63 6.472 3.902 15.084 1.00 14.65 C ATOM 428 N LEU A 64 5.196 5.085 19.423 1.00 10.00 N ATOM 429 CA LEU A 64 4.811 6.003 20.481 1.00 12.17 C ATOM 430 C LEU A 64 6.058 6.632 21.084 1.00 13.03 C ATOM 431 O LEU A 64 6.998 5.924 21.441 1.00 13.83 O ATOM 432 CB LEU A 64 4.027 5.282 21.576 1.00 14.30 C ATOM 433 CG LEU A 64 2.685 4.674 21.155 1.00 11.31 C ATOM 434 CD1 LEU A 64 2.118 3.914 22.334 1.00 12.25 C ATOM 435 CD2 LEU A 64 1.728 5.745 20.682 1.00 10.59 C ATOM 436 N SER A 65 6.054 7.951 21.216 1.00 14.62 N ATOM 437 CA SER A 65 7.123 8.612 21.945 1.00 14.99 C ATOM 438 C SER A 65 7.106 8.172 23.404 1.00 15.30 C ATOM 439 O SER A 65 6.100 7.685 23.915 1.00 14.09 O ATOM 440 CB SER A 65 6.947 10.124 21.874 1.00 21.09 C ATOM 441 OG SER A 65 5.849 10.486 22.691 1.00 15.99 O ATOM 442 N ASN A 66 8.232 8.373 24.094 1.00 17.10 N ATOM 443 CA ASN A 66 8.265 8.099 25.535 1.00 19.40 C ATOM 444 C ASN A 66 7.111 8.772 26.265 1.00 14.07 C ATOM 445 O ASN A 66 6.492 8.177 27.154 1.00 18.32 O ATOM 446 CB ASN A 66 9.596 8.559 26.126 1.00 20.49 C ATOM 447 CG ASN A 66 10.778 8.018 25.357 1.00 27.40 C ATOM 448 OD1 ASN A 66 10.824 6.832 25.033 1.00 29.16 O ATOM 449 ND2 ASN A 66 11.739 8.881 25.050 1.00 33.23 N ATOM 450 N GLU A 67 6.811 10.019 25.906 1.00 19.48 N ATOM 451 CA GLU A 67 5.710 10.739 26.538 1.00 18.59 C ATOM 452 C GLU A 67 4.374 10.041 26.293 1.00 19.61 C ATOM 453 O GLU A 67 3.602 9.810 27.233 1.00 17.09 O ATOM 454 CB GLU A 67 5.669 12.176 26.013 1.00 21.94 C ATOM 455 CG GLU A 67 5.014 13.146 26.963 1.00 27.03 C ATOM 456 CD GLU A 67 5.680 13.139 28.322 1.00 27.78 C ATOM 457 OE1 GLU A 67 4.964 13.000 29.328 1.00 37.03 O ATOM 458 OE2 GLU A 67 6.920 13.253 28.397 1.00 30.23 O ATOM 459 N GLU A 68 4.081 9.701 25.028 1.00 15.72 N ATOM 460 CA GLU A 68 2.823 9.016 24.715 1.00 17.10 C ATOM 461 C GLU A 68 2.730 7.674 25.430 1.00 12.92 C ATOM 462 O GLU A 68 1.656 7.280 25.900 1.00 13.05 O ATOM 463 CB GLU A 68 2.691 8.820 23.203 1.00 13.29 C ATOM 464 CG GLU A 68 2.402 10.100 22.427 1.00 16.83 C ATOM 465 CD GLU A 68 2.681 9.948 20.937 1.00 20.93 C ATOM 466 OE1 GLU A 68 3.415 9.025 20.566 1.00 19.23 O ATOM 467 OE2 GLU A 68 2.180 10.755 20.124 1.00 25.23 O ATOM 468 N PHE A 69 3.846 6.947 25.507 1.00 14.61 N ATOM 469 CA PHE A 69 3.827 5.633 26.146 1.00 14.33 C ATOM 470 C PHE A 69 3.563 5.751 27.647 1.00 14.81 C ATOM 471 O PHE A 69 2.788 4.967 28.208 1.00 18.62 O ATOM 472 CB PHE A 69 5.146 4.897 25.870 1.00 14.32 C ATOM 473 CG PHE A 69 5.103 3.419 26.200 1.00 17.49 C ATOM 474 CD1 PHE A 69 4.651 2.494 25.266 1.00 18.86 C ATOM 475 CD2 PHE A 69 5.508 2.957 27.450 1.00 16.98 C ATOM 476 CE1 PHE A 69 4.606 1.126 25.576 1.00 19.27 C ATOM 477 CE2 PHE A 69 5.467 1.601 27.765 1.00 17.86 C ATOM 478 CZ PHE A 69 5.008 0.687 26.833 1.00 18.23 C ATOM 479 N GLN A 70 4.178 6.736 28.311 1.00 17.90 N ATOM 480 CA GLN A 70 3.952 6.920 29.745 1.00 21.62 C ATOM 481 C GLN A 70 2.512 7.343 30.026 1.00 18.50 C ATOM 482 O GLN A 70 1.889 6.864 30.980 1.00 25.20 O ATOM 483 CB GLN A 70 4.939 7.950 30.303 1.00 20.04 C ATOM 484 N THR A 71 1.969 8.224 29.189 1.00 17.78 N ATOM 485 CA THR A 71 0.554 8.576 29.279 1.00 18.38 C ATOM 486 C THR A 71 -0.320 7.330 29.256 1.00 21.59 C ATOM 487 O THR A 71 -1.173 7.135 30.130 1.00 18.91 O ATOM 488 CB THR A 71 0.198 9.525 28.133 1.00 19.24 C ATOM 489 OG1 THR A 71 0.973 10.727 28.250 1.00 21.34 O ATOM 490 CG2 THR A 71 -1.293 9.874 28.147 1.00 21.19 C ATOM 491 N MET A 72 -0.092 6.444 28.281 1.00 20.41 N ATOM 492 CA MET A 72 -0.837 5.192 28.215 1.00 15.81 C ATOM 493 C MET A 72 -0.648 4.359 29.479 1.00 22.77 C ATOM 494 O MET A 72 -1.625 3.860 30.046 1.00 23.86 O ATOM 495 CB MET A 72 -0.411 4.412 26.968 1.00 15.69 C ATOM 496 CG MET A 72 -0.676 2.933 27.012 1.00 22.18 C ATOM 497 SD MET A 72 -0.519 2.156 25.389 1.00 15.85 S ATOM 498 CE MET A 72 1.175 1.667 25.479 1.00 21.71 C ATOM 499 N VAL A 73 0.594 4.219 29.953 1.00 21.01 N ATOM 500 CA VAL A 73 0.858 3.378 31.125 1.00 26.96 C ATOM 501 C VAL A 73 0.141 3.929 32.359 1.00 26.65 C ATOM 502 O VAL A 73 -0.546 3.196 33.080 1.00 33.79 O ATOM 503 CB VAL A 73 2.374 3.258 31.359 1.00 29.24 C ATOM 504 CG1 VAL A 73 2.664 2.559 32.677 1.00 35.22 C ATOM 505 CG2 VAL A 73 3.024 2.522 30.206 1.00 24.66 C ATOM 506 N ASP A 74 0.294 5.224 32.617 1.00 28.23 N ATOM 507 CA ASP A 74 -0.400 5.849 33.739 1.00 31.60 C ATOM 508 C ASP A 74 -1.903 5.614 33.680 1.00 34.16 C ATOM 509 O ASP A 74 -2.554 5.441 34.717 1.00 40.50 O ATOM 510 CB ASP A 74 -0.110 7.345 33.752 1.00 33.65 C ATOM 511 CG ASP A 74 1.305 7.651 34.154 1.00 37.87 C ATOM 512 OD1 ASP A 74 1.804 6.994 35.091 1.00 45.70 O ATOM 513 OD2 ASP A 74 1.914 8.548 33.542 1.00 35.19 O ATOM 514 N ALA A 75 -2.473 5.597 32.474 1.00 31.73 N ATOM 515 CA ALA A 75 -3.924 5.538 32.344 1.00 26.76 C ATOM 516 C ALA A 75 -4.468 4.142 32.604 1.00 32.07 C ATOM 517 O ALA A 75 -5.639 3.998 32.970 1.00 38.89 O ATOM 518 CB ALA A 75 -4.345 6.013 30.959 1.00 26.55 C ATOM 519 N PHE A 76 -3.660 3.108 32.413 1.00 34.04 N ATOM 520 CA PHE A 76 -4.145 1.744 32.605 1.00 35.62 C ATOM 521 C PHE A 76 -3.299 0.994 33.631 1.00 37.51 C ATOM 522 O PHE A 76 -3.315 1.311 34.821 1.00 42.86 O ATOM 523 CB PHE A 76 -4.156 0.972 31.274 1.00 35.86 C ATOM 524 CG PHE A 76 -5.078 1.554 30.234 1.00 30.95 C ATOM 525 CD1 PHE A 76 -6.406 1.182 30.183 1.00 33.23 C ATOM 526 CD2 PHE A 76 -4.610 2.468 29.304 1.00 31.17 C ATOM 527 CE1 PHE A 76 -7.258 1.716 29.228 1.00 32.96 C ATOM 528 CE2 PHE A 76 -5.459 3.009 28.351 1.00 31.05 C ATOM 529 CZ PHE A 76 -6.782 2.633 28.311 1.00 28.19 C TER 530 PHE A 76 ATOM 531 C4' DT B 1 -2.342 -10.192 3.406 1.00 49.00 C ATOM 532 O4' DT B 1 -2.738 -9.952 4.782 1.00 52.64 O ATOM 533 C3' DT B 1 -0.812 -10.237 3.395 1.00 49.51 C ATOM 534 O3' DT B 1 -0.281 -9.041 2.809 1.00 49.73 O ATOM 535 C2' DT B 1 -0.438 -10.365 4.874 1.00 41.83 C ATOM 536 C1' DT B 1 -1.603 -9.677 5.567 1.00 39.61 C ATOM 537 N1 DT B 1 -1.843 -10.190 6.952 1.00 37.49 N ATOM 538 C2 DT B 1 -2.216 -9.312 7.949 1.00 35.86 C ATOM 539 O2 DT B 1 -2.381 -8.119 7.766 1.00 36.30 O ATOM 540 N3 DT B 1 -2.397 -9.887 9.174 1.00 33.76 N ATOM 541 C4 DT B 1 -2.244 -11.222 9.504 1.00 35.48 C ATOM 542 O4 DT B 1 -2.429 -11.643 10.644 1.00 38.06 O ATOM 543 C5 DT B 1 -1.850 -12.087 8.417 1.00 34.48 C ATOM 544 C7 DT B 1 -1.651 -13.554 8.656 1.00 33.09 C ATOM 545 C6 DT B 1 -1.670 -11.537 7.208 1.00 35.60 C ATOM 546 P DT B 2 1.312 -8.841 2.674 1.00 61.14 P ATOM 547 OP1 DT B 2 1.588 -8.071 1.439 1.00 56.59 O ATOM 548 OP2 DT B 2 1.981 -10.146 2.884 1.00 48.39 O ATOM 549 O5' DT B 2 1.680 -7.934 3.933 1.00 49.47 O ATOM 550 C5' DT B 2 0.976 -6.719 4.176 1.00 40.07 C ATOM 551 C4' DT B 2 1.467 -6.087 5.461 1.00 35.10 C ATOM 552 O4' DT B 2 1.029 -6.887 6.590 1.00 31.42 O ATOM 553 C3' DT B 2 2.989 -5.993 5.580 1.00 27.68 C ATOM 554 O3' DT B 2 3.322 -4.780 6.155 1.00 30.90 O ATOM 555 C2' DT B 2 3.339 -7.150 6.507 1.00 27.51 C ATOM 556 C1' DT B 2 2.133 -7.138 7.425 1.00 28.74 C ATOM 557 N1 DT B 2 1.900 -8.409 8.170 1.00 24.90 N ATOM 558 C2 DT B 2 1.464 -8.330 9.467 1.00 22.51 C ATOM 559 O2 DT B 2 1.252 -7.272 10.031 1.00 25.22 O ATOM 560 N3 DT B 2 1.261 -9.533 10.081 1.00 21.95 N ATOM 561 C4 DT B 2 1.458 -10.789 9.543 1.00 18.39 C ATOM 562 O4 DT B 2 1.258 -11.812 10.181 1.00 24.42 O ATOM 563 C5 DT B 2 1.915 -10.814 8.179 1.00 25.21 C ATOM 564 C7 DT B 2 2.156 -12.131 7.502 1.00 21.18 C ATOM 565 C6 DT B 2 2.114 -9.633 7.554 1.00 24.85 C ATOM 566 P DT B 3 3.160 -3.422 5.315 1.00 36.83 P ATOM 567 OP1 DT B 3 1.907 -2.764 5.755 1.00 29.95 O ATOM 568 OP2 DT B 3 3.399 -3.757 3.898 1.00 42.43 O ATOM 569 O5' DT B 3 4.383 -2.528 5.809 1.00 30.36 O ATOM 570 C5' DT B 3 4.660 -2.421 7.196 1.00 26.38 C ATOM 571 C4' DT B 3 5.946 -1.645 7.402 1.00 27.51 C ATOM 572 O4' DT B 3 6.985 -2.277 6.632 1.00 34.32 O ATOM 573 C3' DT B 3 5.883 -0.193 6.939 1.00 32.95 C ATOM 574 O3' DT B 3 5.931 0.670 8.058 1.00 34.17 O ATOM 575 C2' DT B 3 7.113 0.001 6.036 1.00 40.18 C ATOM 576 C1' DT B 3 7.875 -1.318 6.124 1.00 37.67 C ATOM 577 N1 DT B 3 8.335 -1.806 4.800 1.00 43.88 N ATOM 578 C2 DT B 3 9.655 -1.662 4.435 1.00 37.49 C ATOM 579 O2 DT B 3 10.490 -1.141 5.143 1.00 33.48 O ATOM 580 N3 DT B 3 9.963 -2.159 3.195 1.00 39.99 N ATOM 581 C4 DT B 3 9.101 -2.769 2.300 1.00 46.59 C ATOM 582 O4 DT B 3 9.473 -3.181 1.202 1.00 50.47 O ATOM 583 C5 DT B 3 7.733 -2.892 2.748 1.00 45.26 C ATOM 584 C7 DT B 3 6.708 -3.542 1.866 1.00 44.15 C ATOM 585 C6 DT B 3 7.420 -2.410 3.962 1.00 44.82 C ATOM 586 P DT B 4 4.895 1.892 8.215 1.00 42.15 P ATOM 587 OP1 DT B 4 3.803 1.455 9.121 1.00 40.49 O ATOM 588 OP2 DT B 4 4.595 2.454 6.877 1.00 36.30 O ATOM 589 O5' DT B 4 5.746 2.947 9.051 1.00 34.89 O ATOM 590 C5' DT B 4 6.407 2.509 10.230 1.00 31.77 C ATOM 591 C4' DT B 4 7.502 3.465 10.610 1.00 29.61 C ATOM 592 O4' DT B 4 8.546 3.413 9.610 1.00 35.18 O ATOM 593 C3' DT B 4 7.070 4.907 10.648 1.00 32.85 C ATOM 594 O3' DT B 4 6.519 5.189 11.912 1.00 37.89 O ATOM 595 C2' DT B 4 8.385 5.644 10.423 1.00 34.09 C ATOM 596 C1' DT B 4 9.121 4.703 9.465 1.00 35.25 C ATOM 597 N1 DT B 4 9.070 5.097 8.022 1.00 36.30 N ATOM 598 C2 DT B 4 9.799 6.189 7.594 1.00 37.22 C ATOM 599 O2 DT B 4 10.478 6.881 8.336 1.00 38.06 O ATOM 600 N3 DT B 4 9.700 6.451 6.260 1.00 35.27 N ATOM 601 C4 DT B 4 8.970 5.750 5.319 1.00 39.00 C ATOM 602 O4 DT B 4 8.949 6.070 4.137 1.00 43.85 O ATOM 603 C5 DT B 4 8.236 4.612 5.823 1.00 38.91 C ATOM 604 C7 DT B 4 7.409 3.775 4.889 1.00 39.67 C ATOM 605 C6 DT B 4 8.321 4.341 7.138 1.00 35.47 C ATOM 606 P DT B 5 5.907 6.640 12.207 1.00 41.09 P ATOM 607 OP1 DT B 5 4.902 6.517 13.312 1.00 39.98 O ATOM 608 OP2 DT B 5 5.456 7.224 10.907 1.00 40.65 O ATOM 609 O5' DT B 5 7.169 7.467 12.780 1.00 39.62 O TER 610 DT B 5 HETATM 611 O HOH A 101 -2.166 2.229 36.560 1.00 40.60 O HETATM 612 O HOH A 102 13.133 -13.361 6.354 1.00 36.77 O HETATM 613 O HOH A 103 21.536 9.039 14.383 1.00 24.66 O HETATM 614 O HOH A 104 9.881 -11.906 24.655 1.00 24.06 O HETATM 615 O HOH A 105 15.167 -12.420 15.116 1.00 24.03 O HETATM 616 O HOH A 106 11.262 -14.102 8.590 1.00 29.73 O HETATM 617 O HOH A 107 8.105 -3.335 17.641 1.00 7.27 O HETATM 618 O HOH A 108 9.265 -12.538 15.329 1.00 10.89 O HETATM 619 O HOH A 109 12.550 -8.488 18.943 1.00 17.64 O HETATM 620 O HOH A 110 12.873 9.146 12.474 1.00 30.60 O HETATM 621 O HOH A 111 -0.319 -12.557 16.739 1.00 20.61 O HETATM 622 O HOH A 112 9.402 12.980 27.225 1.00 34.80 O HETATM 623 O HOH A 113 8.810 -16.672 15.162 1.00 13.54 O HETATM 624 O HOH A 114 16.617 -6.564 23.786 1.00 22.58 O HETATM 625 O HOH A 115 17.352 3.186 12.270 1.00 19.51 O HETATM 626 O HOH A 116 7.113 -5.769 5.335 1.00 30.00 O HETATM 627 O HOH A 117 13.104 6.564 16.043 1.00 17.03 O HETATM 628 O HOH A 118 16.707 -4.484 14.109 1.00 15.08 O HETATM 629 O HOH A 119 6.692 -15.793 20.628 1.00 16.38 O HETATM 630 O HOH A 120 10.409 9.330 22.489 1.00 25.82 O HETATM 631 O HOH A 121 -1.705 -12.402 24.856 1.00 19.48 O HETATM 632 O HOH A 122 -0.214 -5.826 13.638 1.00 16.27 O HETATM 633 O HOH A 123 8.078 -11.288 26.266 1.00 21.24 O HETATM 634 O HOH A 124 6.139 8.653 17.066 1.00 29.39 O HETATM 635 O HOH A 125 9.710 -4.744 6.072 1.00 29.37 O HETATM 636 O HOH A 126 1.353 -11.612 15.219 1.00 19.27 O HETATM 637 O HOH A 127 17.808 5.716 21.725 1.00 24.72 O HETATM 638 O HOH A 128 20.574 -3.457 20.283 1.00 31.91 O HETATM 639 O HOH A 129 11.942 8.357 5.402 1.00 40.99 O HETATM 640 O HOH A 130 3.544 2.861 12.167 1.00 23.38 O HETATM 641 O HOH A 131 -3.371 -11.207 16.240 1.00 29.51 O HETATM 642 O HOH A 132 19.541 3.342 14.030 1.00 22.61 O HETATM 643 O HOH A 133 10.139 -14.736 16.181 1.00 18.42 O HETATM 644 O HOH A 134 13.843 -8.936 4.708 1.00 27.75 O HETATM 645 O HOH A 135 8.936 -13.933 20.502 1.00 26.62 O HETATM 646 O HOH A 136 15.941 -11.282 16.948 1.00 35.65 O HETATM 647 O HOH A 137 19.580 -5.391 19.742 1.00 35.25 O HETATM 648 O HOH A 138 11.454 8.465 14.556 1.00 31.94 O HETATM 649 O HOH A 139 11.771 -5.300 4.247 1.00 35.38 O HETATM 650 O HOH A 140 12.639 -10.827 20.270 1.00 24.95 O HETATM 651 O HOH A 141 14.927 -8.540 17.651 1.00 24.71 O HETATM 652 O HOH A 142 6.615 12.625 33.148 1.00 32.11 O HETATM 653 O HOH A 143 16.446 -7.917 15.501 1.00 22.41 O HETATM 654 O HOH B 101 3.900 -10.220 4.081 1.00 37.96 O HETATM 655 O HOH B 102 2.894 5.142 14.015 1.00 13.92 O HETATM 656 O HOH B 103 4.675 9.072 14.455 1.00 33.69 O HETATM 657 O HOH B 104 1.708 0.017 10.327 1.00 23.55 O HETATM 658 O HOH B 105 0.530 -10.208 13.073 1.00 24.54 O HETATM 659 O HOH B 106 -0.482 -8.246 12.561 1.00 22.84 O MASTER 253 0 0 1 4 0 0 6 657 2 0 8 END
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Related entries of code: 5zkl
Entries with 90% protein sequence similarity cutoff in PDBbind
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Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
15aa, >2CCZ_2|Chain... at 100%
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RCSB PDB
PDBbind
17aa, >2LTT_2|Chain... at 100%
4ljr
RCSB PDB
PDBbind
35aa, >4LJR_2|Chains... *
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RCSB PDB
PDBbind
12aa, >4OWX_1|Chain... at 100%
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5zkl
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
Streptococcus pneumoniae SP_0782 (residues 7-79)
Ligand Name
single-stranded DNA dT12
EC.Number
E.C.-.-.-.-
Resolution
1.95(Å)
Affinity (Kd/Ki/IC50)
Kd=20.6nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2020) Nucleic Acids Res. Vol. 48: pp. 432-444
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):
Q8DQG2
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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