Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN/DNA 22-FEB-19 6JIP TITLE CRYSTAL STRUCTURE OF STREPTOCOCCUS PNEUMONIAE SP_0782 (RESIDUES 7-79) TITLE 2 IN COMPLEX WITH SINGLE-STRANDED DNA DT6 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*T)-3'); COMPND 7 CHAIN: B; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE (STRAIN ATCC BAA-255 / SOURCE 3 R6); SOURCE 4 ORGANISM_TAXID: 171101; SOURCE 5 STRAIN: ATCC BAA-255 / R6; SOURCE 6 GENE: SPR0690, SP_0782; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); 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: PET21; SOURCE 12 MOL_ID: 2; SOURCE 13 SYNTHETIC: YES; SOURCE 14 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 15 ORGANISM_TAXID: 32630 KEYWDS PROTEIN-DNA COMPLEX, DNA BINDING PROTEIN-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR X.FANG,G.LU,S.LI,J.ZHU,Y.YANG,P.GONG REVDAT 2 22-JAN-20 6JIP 1 JRNL REVDAT 1 27-NOV-19 6JIP 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. 1.66 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.12_2829 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 : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.66 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 46.94 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.400 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.3 REMARK 3 NUMBER OF REFLECTIONS : 10889 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 : 0.215 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.200 REMARK 3 FREE R VALUE TEST SET COUNT : 566 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 46.9587 - 2.6326 1.00 2639 142 0.1786 0.2012 REMARK 3 2 2.6326 - 2.0896 1.00 2582 166 0.2115 0.2226 REMARK 3 3 2.0896 - 1.8254 0.99 2566 121 0.2088 0.2462 REMARK 3 4 1.8254 - 1.6585 0.98 2536 137 0.2627 0.2674 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : NULL 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) : 0.160 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 32.190 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 26.52 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 37.38 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 : 0.005 621 REMARK 3 ANGLE : 0.690 838 REMARK 3 CHIRALITY : 0.050 89 REMARK 3 PLANARITY : 0.005 99 REMARK 3 DIHEDRAL : 14.368 481 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 6JIP COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 04-MAR-19. REMARK 100 THE DEPOSITION ID IS D_1300010861. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 15-JUL-18 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.8 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) : 0.9789 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 : 10917 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.659 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 (%) : 99.5 REMARK 200 DATA REDUNDANCY : 6.200 REMARK 200 R MERGE (I) : 0.05800 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 7.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.66 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.72 REMARK 200 COMPLETENESS FOR SHELL (%) : 97.2 REMARK 200 DATA REDUNDANCY IN SHELL : 5.30 REMARK 200 R MERGE FOR SHELL (I) : 0.41900 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: NULL REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 39.74 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.04 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 3350, PH 6.8, 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 33.19150 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 33.19150 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 21.07150 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 33.19150 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 10.53575 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 33.19150 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 31.60725 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 33.19150 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 33.19150 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 21.07150 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 33.19150 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 1.000000 31.60725 REMARK 290 SMTRY1 8 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 33.19150 REMARK 290 SMTRY3 8 0.000000 0.000000 1.000000 10.53575 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 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 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 5 REMARK 465 DT B 6 REMARK 465 DT B 7 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 GLU A 27 CG CD OE1 OE2 REMARK 470 LYS A 77 CG CD CE NZ REMARK 470 DT B 4 C5' C4' O4' C3' O3' C2' C1' REMARK 470 DT B 4 N1 C2 O2 N3 C4 O4 C5 REMARK 470 DT B 4 C7 C6 REMARK 610 REMARK 610 MISSING HETEROATOM REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 610 I=INSERTION CODE): REMARK 610 M RES C SSEQI REMARK 610 1PE B 101 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue 1PE A 100 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue 1PE B 101 DBREF 6JIP A 7 79 UNP Q8DQG2 Q8DQG2_STRR6 7 79 DBREF 6JIP B 2 7 PDB 6JIP 6JIP 2 7 SEQADV 6JIP MET A 6 UNP Q8DQG2 EXPRESSION TAG SEQADV 6JIP LEU A 80 UNP Q8DQG2 EXPRESSION TAG SEQADV 6JIP GLU A 81 UNP Q8DQG2 EXPRESSION TAG SEQADV 6JIP HIS A 82 UNP Q8DQG2 EXPRESSION TAG SEQADV 6JIP HIS A 83 UNP Q8DQG2 EXPRESSION TAG SEQADV 6JIP HIS A 84 UNP Q8DQG2 EXPRESSION TAG SEQADV 6JIP HIS A 85 UNP Q8DQG2 EXPRESSION TAG SEQADV 6JIP HIS A 86 UNP Q8DQG2 EXPRESSION TAG SEQADV 6JIP 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 6 DT DT DT DT DT DT HET 1PE A 100 16 HET 1PE B 101 7 HETNAM 1PE PENTAETHYLENE GLYCOL HETSYN 1PE PEG400 FORMUL 3 1PE 2(C10 H22 O6) FORMUL 5 HOH *42(H2 O) HELIX 1 AA1 SER A 65 LYS A 77 1 13 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 GLY A 59 N ALA A 50 SITE 1 AC1 4 GLU A 17 ALA A 44 GLU A 67 ASP A 74 SITE 1 AC2 6 GLY A 29 THR A 56 LYS A 57 MET A 58 SITE 2 AC2 6 DT B 3 HOH B 202 CRYST1 66.383 66.383 42.143 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 0.015064 0.000000 0.000000 0.00000 SCALE2 0.000000 0.015064 0.000000 0.00000 SCALE3 0.000000 0.000000 0.023729 0.00000 ATOM 1 N GLU A 11 16.067 5.475 -6.614 1.00 60.03 N ATOM 2 CA GLU A 11 14.696 5.970 -6.659 1.00 64.69 C ATOM 3 C GLU A 11 13.985 5.713 -5.334 1.00 61.83 C ATOM 4 O GLU A 11 13.152 6.509 -4.902 1.00 68.17 O ATOM 5 CB GLU A 11 13.924 5.318 -7.808 1.00 63.36 C ATOM 6 N PHE A 12 14.325 4.597 -4.692 1.00 52.79 N ATOM 7 CA PHE A 12 13.747 4.239 -3.404 1.00 47.54 C ATOM 8 C PHE A 12 14.553 3.112 -2.770 1.00 42.43 C ATOM 9 O PHE A 12 14.879 2.133 -3.444 1.00 38.60 O ATOM 10 CB PHE A 12 12.281 3.838 -3.575 1.00 49.73 C ATOM 11 CG PHE A 12 11.743 2.993 -2.457 1.00 50.14 C ATOM 12 CD1 PHE A 12 11.417 3.560 -1.238 1.00 51.73 C ATOM 13 CD2 PHE A 12 11.549 1.633 -2.632 1.00 46.77 C ATOM 14 CE1 PHE A 12 10.918 2.784 -0.211 1.00 47.82 C ATOM 15 CE2 PHE A 12 11.050 0.855 -1.610 1.00 47.45 C ATOM 16 CZ PHE A 12 10.737 1.430 -0.397 1.00 44.46 C ATOM 17 N THR A 13 14.900 3.248 -1.489 1.00 36.28 N ATOM 18 CA THR A 13 15.644 2.225 -0.769 1.00 34.26 C ATOM 19 C THR A 13 15.034 2.003 0.605 1.00 35.13 C ATOM 20 O THR A 13 14.362 2.882 1.152 1.00 33.27 O ATOM 21 CB THR A 13 17.118 2.600 -0.586 1.00 36.16 C ATOM 22 OG1 THR A 13 17.216 3.744 0.269 1.00 37.38 O ATOM 23 CG2 THR A 13 17.764 2.903 -1.925 1.00 36.36 C ATOM 24 N PHE A 14 15.281 0.818 1.166 1.00 29.94 N ATOM 25 CA PHE A 14 14.806 0.507 2.502 1.00 29.06 C ATOM 26 C PHE A 14 15.807 -0.390 3.205 1.00 27.79 C ATOM 27 O PHE A 14 16.551 -1.155 2.577 1.00 29.56 O ATOM 28 CB PHE A 14 13.414 -0.155 2.474 1.00 30.89 C ATOM 29 CG PHE A 14 13.389 -1.505 1.830 1.00 29.29 C ATOM 30 CD1 PHE A 14 13.209 -1.643 0.461 1.00 31.04 C ATOM 31 CD2 PHE A 14 13.484 -2.639 2.601 1.00 27.08 C ATOM 32 CE1 PHE A 14 13.167 -2.902 -0.119 1.00 31.26 C ATOM 33 CE2 PHE A 14 13.458 -3.890 2.022 1.00 29.72 C ATOM 34 CZ PHE A 14 13.285 -4.014 0.660 1.00 33.64 C ATOM 35 N GLU A 15 15.809 -0.291 4.532 1.00 28.34 N ATOM 36 CA GLU A 15 16.656 -1.155 5.352 1.00 29.82 C ATOM 37 C GLU A 15 15.970 -1.378 6.682 1.00 27.76 C ATOM 38 O GLU A 15 15.626 -0.412 7.371 1.00 29.70 O ATOM 39 CB GLU A 15 18.027 -0.520 5.573 1.00 30.39 C ATOM 40 CG GLU A 15 18.830 -1.203 6.671 1.00 31.36 C ATOM 41 CD GLU A 15 19.530 -2.468 6.196 1.00 32.51 C ATOM 42 OE1 GLU A 15 19.154 -3.009 5.131 1.00 30.84 O ATOM 43 OE2 GLU A 15 20.476 -2.916 6.888 1.00 33.88 O ATOM 44 N ILE A 16 15.786 -2.648 7.059 1.00 27.36 N ATOM 45 CA ILE A 16 15.298 -2.956 8.393 1.00 27.35 C ATOM 46 C ILE A 16 16.451 -2.766 9.367 1.00 30.93 C ATOM 47 O ILE A 16 17.405 -3.555 9.378 1.00 31.05 O ATOM 48 CB ILE A 16 14.730 -4.371 8.470 1.00 27.59 C ATOM 49 CG1 ILE A 16 13.507 -4.500 7.562 1.00 26.85 C ATOM 50 CG2 ILE A 16 14.368 -4.715 9.900 1.00 32.23 C ATOM 51 CD1 ILE A 16 13.023 -5.933 7.436 1.00 28.72 C ATOM 52 N GLU A 17 16.378 -1.725 10.188 1.00 29.64 N ATOM 53 CA GLU A 17 17.481 -1.440 11.097 1.00 34.22 C ATOM 54 C GLU A 17 17.343 -2.223 12.391 1.00 35.07 C ATOM 55 O GLU A 17 18.355 -2.609 12.992 1.00 37.92 O ATOM 56 CB GLU A 17 17.551 0.056 11.374 1.00 35.20 C ATOM 57 CG GLU A 17 17.664 0.925 10.114 1.00 33.15 C ATOM 58 CD GLU A 17 19.051 0.907 9.480 1.00 36.07 C ATOM 59 OE1 GLU A 17 20.009 0.437 10.124 1.00 34.65 O ATOM 60 OE2 GLU A 17 19.178 1.355 8.321 1.00 35.42 O ATOM 61 N GLU A 18 16.110 -2.501 12.812 1.00 31.28 N ATOM 62 CA GLU A 18 15.871 -3.271 14.024 1.00 31.69 C ATOM 63 C GLU A 18 14.528 -3.973 13.910 1.00 34.27 C ATOM 64 O GLU A 18 13.541 -3.341 13.526 1.00 33.95 O ATOM 65 CB GLU A 18 15.886 -2.359 15.246 1.00 38.36 C ATOM 66 CG GLU A 18 15.822 -3.088 16.564 1.00 42.79 C ATOM 67 CD GLU A 18 15.649 -2.136 17.724 1.00 50.42 C ATOM 68 OE1 GLU A 18 15.459 -0.927 17.465 1.00 50.71 O ATOM 69 OE2 GLU A 18 15.705 -2.592 18.887 1.00 59.23 O ATOM 70 N HIS A 19 14.493 -5.262 14.243 1.00 31.29 N ATOM 71 CA HIS A 19 13.246 -6.016 14.291 1.00 30.26 C ATOM 72 C HIS A 19 12.683 -5.956 15.707 1.00 33.85 C ATOM 73 O HIS A 19 13.366 -6.336 16.663 1.00 35.61 O ATOM 74 CB HIS A 19 13.462 -7.469 13.860 1.00 32.22 C ATOM 75 CG HIS A 19 12.258 -8.339 14.040 1.00 30.21 C ATOM 76 ND1 HIS A 19 11.090 -8.158 13.327 1.00 29.59 N ATOM 77 CD2 HIS A 19 12.035 -9.390 14.863 1.00 32.05 C ATOM 78 CE1 HIS A 19 10.203 -9.061 13.701 1.00 31.08 C ATOM 79 NE2 HIS A 19 10.754 -9.830 14.624 1.00 35.26 N ATOM 80 N LEU A 20 11.440 -5.488 15.848 1.00 30.71 N ATOM 81 CA LEU A 20 10.844 -5.374 17.173 1.00 29.32 C ATOM 82 C LEU A 20 9.881 -6.508 17.502 1.00 31.74 C ATOM 83 O LEU A 20 9.993 -7.110 18.575 1.00 36.58 O ATOM 84 CB LEU A 20 10.128 -4.025 17.322 1.00 31.03 C ATOM 85 CG LEU A 20 11.008 -2.818 16.988 1.00 34.02 C ATOM 86 CD1 LEU A 20 10.224 -1.514 17.078 1.00 31.83 C ATOM 87 CD2 LEU A 20 12.193 -2.793 17.913 1.00 35.62 C ATOM 88 N LEU A 21 8.950 -6.839 16.608 1.00 28.58 N ATOM 89 CA LEU A 21 7.896 -7.783 16.963 1.00 29.93 C ATOM 90 C LEU A 21 7.299 -8.378 15.696 1.00 29.15 C ATOM 91 O LEU A 21 7.107 -7.669 14.711 1.00 29.85 O ATOM 92 CB LEU A 21 6.809 -7.073 17.789 1.00 31.48 C ATOM 93 CG LEU A 21 5.629 -7.891 18.314 1.00 36.60 C ATOM 94 CD1 LEU A 21 6.094 -8.865 19.373 1.00 37.84 C ATOM 95 CD2 LEU A 21 4.555 -6.976 18.879 1.00 36.23 C ATOM 96 N THR A 22 7.024 -9.682 15.718 1.00 28.03 N ATOM 97 CA THR A 22 6.259 -10.324 14.660 1.00 26.04 C ATOM 98 C THR A 22 4.858 -10.545 15.196 1.00 28.07 C ATOM 99 O THR A 22 4.702 -11.029 16.319 1.00 29.11 O ATOM 100 CB THR A 22 6.887 -11.657 14.227 1.00 29.39 C ATOM 101 OG1 THR A 22 8.163 -11.397 13.628 1.00 32.90 O ATOM 102 CG2 THR A 22 6.008 -12.340 13.217 1.00 27.71 C ATOM 103 N LEU A 23 3.846 -10.147 14.417 1.00 25.09 N ATOM 104 CA LEU A 23 2.452 -10.233 14.833 1.00 26.10 C ATOM 105 C LEU A 23 1.745 -11.482 14.331 1.00 27.50 C ATOM 106 O LEU A 23 0.827 -11.971 14.998 1.00 31.12 O ATOM 107 CB LEU A 23 1.681 -9.000 14.339 1.00 28.03 C ATOM 108 CG LEU A 23 2.205 -7.673 14.879 1.00 28.14 C ATOM 109 CD1 LEU A 23 1.415 -6.553 14.262 1.00 29.24 C ATOM 110 CD2 LEU A 23 2.037 -7.649 16.382 1.00 31.42 C ATOM 111 N SER A 24 2.134 -11.996 13.168 1.00 27.58 N ATOM 112 CA SER A 24 1.499 -13.171 12.585 1.00 28.98 C ATOM 113 C SER A 24 2.317 -13.599 11.378 1.00 29.61 C ATOM 114 O SER A 24 3.156 -12.849 10.875 1.00 27.02 O ATOM 115 CB SER A 24 0.053 -12.897 12.161 1.00 32.62 C ATOM 116 OG SER A 24 0.049 -12.090 10.998 1.00 34.09 O ATOM 117 N GLU A 25 2.060 -14.816 10.922 1.00 27.66 N ATOM 118 CA GLU A 25 2.711 -15.357 9.741 1.00 30.73 C ATOM 119 C GLU A 25 1.668 -16.167 8.988 1.00 29.80 C ATOM 120 O GLU A 25 0.793 -16.777 9.605 1.00 28.38 O ATOM 121 CB GLU A 25 3.929 -16.230 10.102 1.00 30.58 C ATOM 122 CG GLU A 25 4.615 -16.838 8.895 1.00 29.97 C ATOM 123 CD GLU A 25 5.759 -17.757 9.255 1.00 30.64 C ATOM 124 OE1 GLU A 25 6.356 -17.586 10.340 1.00 29.93 O ATOM 125 OE2 GLU A 25 6.069 -18.645 8.434 1.00 31.72 O ATOM 126 N ASN A 26 1.734 -16.149 7.660 1.00 30.00 N ATOM 127 CA ASN A 26 0.714 -16.822 6.866 1.00 31.62 C ATOM 128 C ASN A 26 1.287 -18.068 6.198 1.00 32.86 C ATOM 129 O ASN A 26 2.447 -18.426 6.394 1.00 33.44 O ATOM 130 CB ASN A 26 0.065 -15.854 5.864 1.00 33.55 C ATOM 131 CG ASN A 26 0.965 -15.459 4.703 1.00 35.19 C ATOM 132 OD1 ASN A 26 2.001 -16.064 4.433 1.00 35.45 O ATOM 133 ND2 ASN A 26 0.549 -14.411 4.002 1.00 35.54 N ATOM 134 N GLU A 27 0.426 -18.747 5.427 1.00 38.07 N ATOM 135 CA GLU A 27 0.776 -20.043 4.855 1.00 40.83 C ATOM 136 C GLU A 27 1.942 -19.945 3.883 1.00 41.54 C ATOM 137 O GLU A 27 2.663 -20.933 3.679 1.00 40.24 O ATOM 138 CB GLU A 27 -0.446 -20.646 4.157 1.00 41.31 C ATOM 139 N LYS A 28 2.146 -18.777 3.279 1.00 40.32 N ATOM 140 CA LYS A 28 3.244 -18.561 2.349 1.00 39.56 C ATOM 141 C LYS A 28 4.508 -18.061 3.038 1.00 38.05 C ATOM 142 O LYS A 28 5.483 -17.727 2.358 1.00 39.76 O ATOM 143 CB LYS A 28 2.816 -17.577 1.258 1.00 44.91 C ATOM 144 CG LYS A 28 1.710 -18.112 0.359 1.00 46.53 C ATOM 145 CD LYS A 28 1.965 -19.573 -0.001 1.00 55.88 C ATOM 146 CE LYS A 28 0.667 -20.322 -0.283 1.00 60.17 C ATOM 147 NZ LYS A 28 0.725 -21.745 0.168 1.00 57.97 N ATOM 148 N GLY A 29 4.516 -18.006 4.367 1.00 33.64 N ATOM 149 CA GLY A 29 5.691 -17.604 5.098 1.00 30.04 C ATOM 150 C GLY A 29 5.847 -16.113 5.272 1.00 31.29 C ATOM 151 O GLY A 29 6.837 -15.681 5.870 1.00 31.96 O ATOM 152 N TRP A 30 4.913 -15.317 4.767 1.00 30.61 N ATOM 153 CA TRP A 30 4.990 -13.869 4.949 1.00 29.70 C ATOM 154 C TRP A 30 4.573 -13.499 6.363 1.00 32.32 C ATOM 155 O TRP A 30 3.660 -14.103 6.932 1.00 31.38 O ATOM 156 CB TRP A 30 4.097 -13.151 3.946 1.00 31.38 C ATOM 157 CG TRP A 30 4.667 -13.072 2.584 1.00 30.15 C ATOM 158 CD1 TRP A 30 5.039 -14.111 1.786 1.00 33.72 C ATOM 159 CD2 TRP A 30 4.928 -11.880 1.840 1.00 33.76 C ATOM 160 NE1 TRP A 30 5.516 -13.643 0.589 1.00 35.75 N ATOM 161 CE2 TRP A 30 5.457 -12.273 0.596 1.00 35.06 C ATOM 162 CE3 TRP A 30 4.767 -10.516 2.105 1.00 33.08 C ATOM 163 CZ2 TRP A 30 5.831 -11.354 -0.377 1.00 36.21 C ATOM 164 CZ3 TRP A 30 5.138 -9.612 1.140 1.00 32.67 C ATOM 165 CH2 TRP A 30 5.660 -10.032 -0.087 1.00 33.18 C ATOM 166 N THR A 31 5.242 -12.496 6.933 1.00 28.62 N ATOM 167 CA THR A 31 5.011 -12.097 8.312 1.00 29.45 C ATOM 168 C THR A 31 4.552 -10.652 8.370 1.00 30.34 C ATOM 169 O THR A 31 5.037 -9.817 7.607 1.00 32.93 O ATOM 170 CB THR A 31 6.273 -12.244 9.155 1.00 26.03 C ATOM 171 OG1 THR A 31 7.348 -11.529 8.530 1.00 30.99 O ATOM 172 CG2 THR A 31 6.656 -13.701 9.266 1.00 27.72 C ATOM 173 N LYS A 32 3.635 -10.362 9.287 1.00 27.93 N ATOM 174 CA LYS A 32 3.340 -8.984 9.679 1.00 24.66 C ATOM 175 C LYS A 32 4.245 -8.618 10.849 1.00 27.66 C ATOM 176 O LYS A 32 4.224 -9.293 11.883 1.00 27.07 O ATOM 177 CB LYS A 32 1.870 -8.809 10.068 1.00 30.71 C ATOM 178 CG LYS A 32 0.936 -8.724 8.900 1.00 34.87 C ATOM 179 CD LYS A 32 -0.494 -8.515 9.376 1.00 32.63 C ATOM 180 CE LYS A 32 -1.439 -8.504 8.213 1.00 38.96 C ATOM 181 NZ LYS A 32 -2.830 -8.405 8.712 1.00 34.36 N ATOM 182 N GLU A 33 5.048 -7.562 10.686 1.00 26.95 N ATOM 183 CA GLU A 33 6.067 -7.206 11.663 1.00 25.09 C ATOM 184 C GLU A 33 5.984 -5.733 12.024 1.00 26.38 C ATOM 185 O GLU A 33 5.526 -4.909 11.236 1.00 26.23 O ATOM 186 CB GLU A 33 7.478 -7.491 11.127 1.00 27.79 C ATOM 187 CG GLU A 33 7.663 -8.939 10.712 1.00 28.43 C ATOM 188 CD GLU A 33 9.069 -9.235 10.206 1.00 30.18 C ATOM 189 OE1 GLU A 33 9.938 -8.341 10.281 1.00 29.17 O ATOM 190 OE2 GLU A 33 9.304 -10.370 9.728 1.00 31.69 O ATOM 191 N ILE A 34 6.438 -5.421 13.235 1.00 24.85 N ATOM 192 CA ILE A 34 6.741 -4.058 13.650 1.00 24.38 C ATOM 193 C ILE A 34 8.249 -3.944 13.679 1.00 26.21 C ATOM 194 O ILE A 34 8.912 -4.679 14.420 1.00 27.93 O ATOM 195 CB ILE A 34 6.139 -3.724 15.019 1.00 27.04 C ATOM 196 CG1 ILE A 34 4.627 -3.938 14.989 1.00 28.71 C ATOM 197 CG2 ILE A 34 6.441 -2.286 15.401 1.00 31.75 C ATOM 198 CD1 ILE A 34 3.959 -3.590 16.300 1.00 34.75 C ATOM 199 N ASN A 35 8.799 -3.064 12.851 1.00 24.87 N ATOM 200 CA ASN A 35 10.243 -2.903 12.736 1.00 24.86 C ATOM 201 C ASN A 35 10.583 -1.428 12.805 1.00 27.79 C ATOM 202 O ASN A 35 9.717 -0.568 12.678 1.00 27.36 O ATOM 203 CB ASN A 35 10.780 -3.463 11.407 1.00 24.78 C ATOM 204 CG ASN A 35 10.574 -4.953 11.264 1.00 27.11 C ATOM 205 OD1 ASN A 35 10.848 -5.712 12.183 1.00 27.57 O ATOM 206 ND2 ASN A 35 10.093 -5.382 10.098 1.00 28.82 N ATOM 207 N ARG A 36 11.874 -1.127 12.977 1.00 26.18 N ATOM 208 CA ARG A 36 12.397 0.210 12.718 1.00 28.06 C ATOM 209 C ARG A 36 13.053 0.150 11.349 1.00 28.47 C ATOM 210 O ARG A 36 13.981 -0.641 11.145 1.00 29.84 O ATOM 211 CB ARG A 36 13.407 0.635 13.782 1.00 34.27 C ATOM 212 CG ARG A 36 12.834 0.774 15.168 1.00 38.26 C ATOM 213 CD ARG A 36 12.085 2.079 15.305 1.00 39.99 C ATOM 214 NE ARG A 36 12.757 2.991 16.228 1.00 45.45 N ATOM 215 CZ ARG A 36 12.650 4.316 16.184 1.00 47.12 C ATOM 216 NH1 ARG A 36 13.299 5.068 17.065 1.00 58.45 N ATOM 217 NH2 ARG A 36 11.907 4.893 15.251 1.00 47.13 N ATOM 218 N VAL A 37 12.545 0.934 10.404 1.00 25.02 N ATOM 219 CA VAL A 37 12.965 0.834 9.010 1.00 26.45 C ATOM 220 C VAL A 37 13.436 2.200 8.528 1.00 25.25 C ATOM 221 O VAL A 37 12.751 3.208 8.728 1.00 28.78 O ATOM 222 CB VAL A 37 11.832 0.317 8.106 1.00 26.82 C ATOM 223 CG1 VAL A 37 12.281 0.315 6.646 1.00 29.10 C ATOM 224 CG2 VAL A 37 11.437 -1.084 8.534 1.00 25.94 C ATOM 225 N SER A 38 14.595 2.230 7.871 1.00 26.19 N ATOM 226 CA SER A 38 15.075 3.453 7.236 1.00 27.52 C ATOM 227 C SER A 38 14.667 3.462 5.766 1.00 29.83 C ATOM 228 O SER A 38 15.017 2.549 5.014 1.00 29.66 O ATOM 229 CB SER A 38 16.593 3.575 7.351 1.00 32.02 C ATOM 230 OG SER A 38 17.038 4.633 6.518 1.00 34.20 O ATOM 231 N PHE A 39 13.948 4.500 5.351 1.00 30.08 N ATOM 232 CA PHE A 39 13.537 4.660 3.963 1.00 29.59 C ATOM 233 C PHE A 39 14.338 5.786 3.330 1.00 34.26 C ATOM 234 O PHE A 39 14.380 6.895 3.872 1.00 35.55 O ATOM 235 CB PHE A 39 12.041 4.972 3.861 1.00 30.85 C ATOM 236 CG PHE A 39 11.160 3.818 4.219 1.00 32.11 C ATOM 237 CD1 PHE A 39 10.921 2.814 3.301 1.00 31.52 C ATOM 238 CD2 PHE A 39 10.573 3.736 5.473 1.00 29.54 C ATOM 239 CE1 PHE A 39 10.105 1.732 3.626 1.00 35.67 C ATOM 240 CE2 PHE A 39 9.756 2.675 5.804 1.00 30.81 C ATOM 241 CZ PHE A 39 9.520 1.666 4.882 1.00 33.13 C ATOM 242 N ASN A 40 14.961 5.502 2.186 1.00 32.59 N ATOM 243 CA ASN A 40 15.748 6.500 1.451 1.00 35.16 C ATOM 244 C ASN A 40 16.789 7.157 2.351 1.00 38.89 C ATOM 245 O ASN A 40 17.028 8.368 2.284 1.00 39.58 O ATOM 246 CB ASN A 40 14.846 7.553 0.816 1.00 39.79 C ATOM 247 CG ASN A 40 13.766 6.952 -0.033 1.00 40.85 C ATOM 248 OD1 ASN A 40 13.973 5.940 -0.700 1.00 42.52 O ATOM 249 ND2 ASN A 40 12.595 7.571 -0.019 1.00 44.84 N ATOM 250 N GLY A 41 17.396 6.353 3.217 1.00 35.14 N ATOM 251 CA GLY A 41 18.447 6.801 4.106 1.00 38.43 C ATOM 252 C GLY A 41 17.999 7.679 5.250 1.00 36.55 C ATOM 253 O GLY A 41 18.850 8.187 5.986 1.00 40.18 O ATOM 254 N ALA A 42 16.699 7.876 5.435 1.00 36.47 N ATOM 255 CA ALA A 42 16.231 8.695 6.535 1.00 35.27 C ATOM 256 C ALA A 42 16.412 7.947 7.852 1.00 38.77 C ATOM 257 O ALA A 42 16.545 6.716 7.861 1.00 38.01 O ATOM 258 CB ALA A 42 14.763 9.070 6.327 1.00 36.47 C ATOM 259 N PRO A 43 16.430 8.656 8.982 1.00 36.19 N ATOM 260 CA PRO A 43 16.469 7.963 10.274 1.00 36.54 C ATOM 261 C PRO A 43 15.321 6.972 10.375 1.00 31.49 C ATOM 262 O PRO A 43 14.205 7.254 9.931 1.00 36.21 O ATOM 263 CB PRO A 43 16.330 9.093 11.295 1.00 37.95 C ATOM 264 CG PRO A 43 16.848 10.302 10.569 1.00 35.85 C ATOM 265 CD PRO A 43 16.432 10.125 9.147 1.00 37.89 C ATOM 266 N ALA A 44 15.610 5.807 10.951 1.00 34.91 N ATOM 267 CA ALA A 44 14.620 4.737 10.995 1.00 32.15 C ATOM 268 C ALA A 44 13.381 5.165 11.769 1.00 35.09 C ATOM 269 O ALA A 44 13.462 5.854 12.788 1.00 37.73 O ATOM 270 CB ALA A 44 15.214 3.487 11.630 1.00 32.78 C ATOM 271 N LYS A 45 12.226 4.749 11.273 1.00 30.95 N ATOM 272 CA LYS A 45 10.953 5.013 11.919 1.00 29.28 C ATOM 273 C LYS A 45 10.252 3.690 12.171 1.00 28.81 C ATOM 274 O LYS A 45 10.626 2.654 11.622 1.00 31.52 O ATOM 275 CB LYS A 45 10.071 5.917 11.056 1.00 31.81 C ATOM 276 CG LYS A 45 10.711 7.257 10.730 1.00 37.03 C ATOM 277 CD LYS A 45 10.192 7.791 9.416 1.00 43.18 C ATOM 278 CE LYS A 45 8.853 8.474 9.600 1.00 51.29 C ATOM 279 NZ LYS A 45 9.004 9.955 9.587 1.00 62.19 N ATOM 280 N PHE A 46 9.230 3.726 13.016 1.00 29.29 N ATOM 281 CA PHE A 46 8.401 2.547 13.215 1.00 26.67 C ATOM 282 C PHE A 46 7.685 2.196 11.922 1.00 27.63 C ATOM 283 O PHE A 46 7.239 3.069 11.183 1.00 28.54 O ATOM 284 CB PHE A 46 7.388 2.796 14.322 1.00 27.40 C ATOM 285 CG PHE A 46 7.989 2.821 15.691 1.00 29.87 C ATOM 286 CD1 PHE A 46 8.262 1.647 16.372 1.00 31.86 C ATOM 287 CD2 PHE A 46 8.306 4.029 16.288 1.00 32.42 C ATOM 288 CE1 PHE A 46 8.815 1.676 17.634 1.00 35.63 C ATOM 289 CE2 PHE A 46 8.866 4.066 17.549 1.00 37.12 C ATOM 290 CZ PHE A 46 9.123 2.884 18.224 1.00 39.81 C ATOM 291 N ASP A 47 7.561 0.901 11.651 1.00 25.56 N ATOM 292 CA ASP A 47 6.988 0.450 10.395 1.00 25.30 C ATOM 293 C ASP A 47 6.242 -0.839 10.684 1.00 25.08 C ATOM 294 O ASP A 47 6.826 -1.776 11.227 1.00 25.99 O ATOM 295 CB ASP A 47 8.086 0.241 9.351 1.00 28.26 C ATOM 296 CG ASP A 47 7.543 0.052 7.957 1.00 26.96 C ATOM 297 OD1 ASP A 47 6.999 1.011 7.378 1.00 29.79 O ATOM 298 OD2 ASP A 47 7.660 -1.070 7.433 1.00 28.09 O ATOM 299 N ILE A 48 4.949 -0.867 10.359 1.00 21.93 N ATOM 300 CA ILE A 48 4.083 -2.025 10.579 1.00 24.46 C ATOM 301 C ILE A 48 3.680 -2.541 9.208 1.00 24.68 C ATOM 302 O ILE A 48 2.963 -1.856 8.472 1.00 25.78 O ATOM 303 CB ILE A 48 2.842 -1.674 11.409 1.00 25.14 C ATOM 304 CG1 ILE A 48 3.217 -0.875 12.661 1.00 26.53 C ATOM 305 CG2 ILE A 48 2.092 -2.944 11.776 1.00 25.96 C ATOM 306 CD1 ILE A 48 1.996 -0.331 13.432 1.00 35.14 C ATOM 307 N ARG A 49 4.112 -3.751 8.862 1.00 23.15 N ATOM 308 CA ARG A 49 4.139 -4.105 7.452 1.00 25.39 C ATOM 309 C ARG A 49 4.282 -5.613 7.293 1.00 27.36 C ATOM 310 O ARG A 49 4.848 -6.290 8.151 1.00 25.26 O ATOM 311 CB ARG A 49 5.300 -3.370 6.760 1.00 27.81 C ATOM 312 CG ARG A 49 5.383 -3.568 5.258 1.00 32.10 C ATOM 313 CD ARG A 49 6.456 -2.670 4.652 1.00 27.38 C ATOM 314 NE ARG A 49 6.345 -1.287 5.106 1.00 28.12 N ATOM 315 CZ ARG A 49 5.610 -0.372 4.484 1.00 28.93 C ATOM 316 NH1 ARG A 49 5.544 0.869 4.946 1.00 30.07 N ATOM 317 NH2 ARG A 49 4.926 -0.708 3.399 1.00 31.74 N ATOM 318 N ALA A 50 3.772 -6.126 6.170 1.00 25.52 N ATOM 319 CA ALA A 50 4.018 -7.512 5.782 1.00 24.72 C ATOM 320 C ALA A 50 5.354 -7.658 5.056 1.00 27.23 C ATOM 321 O ALA A 50 5.760 -6.779 4.289 1.00 26.93 O ATOM 322 CB ALA A 50 2.885 -8.025 4.888 1.00 30.88 C ATOM 323 N TRP A 51 6.031 -8.777 5.302 1.00 25.36 N ATOM 324 CA TRP A 51 7.352 -9.055 4.745 1.00 25.72 C ATOM 325 C TRP A 51 7.431 -10.473 4.201 1.00 30.04 C ATOM 326 O TRP A 51 6.839 -11.392 4.762 1.00 31.28 O ATOM 327 CB TRP A 51 8.431 -8.867 5.803 1.00 29.15 C ATOM 328 CG TRP A 51 8.561 -7.469 6.238 1.00 28.11 C ATOM 329 CD1 TRP A 51 7.919 -6.867 7.276 1.00 26.74 C ATOM 330 CD2 TRP A 51 9.398 -6.476 5.647 1.00 26.69 C ATOM 331 NE1 TRP A 51 8.292 -5.546 7.361 1.00 25.95 N ATOM 332 CE2 TRP A 51 9.207 -5.286 6.372 1.00 26.13 C ATOM 333 CE3 TRP A 51 10.290 -6.477 4.568 1.00 29.84 C ATOM 334 CZ2 TRP A 51 9.872 -4.106 6.057 1.00 24.90 C ATOM 335 CZ3 TRP A 51 10.951 -5.307 4.261 1.00 27.71 C ATOM 336 CH2 TRP A 51 10.729 -4.134 5.000 1.00 28.83 C ATOM 337 N SER A 52 8.198 -10.647 3.127 1.00 29.20 N ATOM 338 CA SER A 52 8.454 -11.975 2.590 1.00 30.39 C ATOM 339 C SER A 52 9.385 -12.751 3.522 1.00 29.24 C ATOM 340 O SER A 52 9.994 -12.182 4.426 1.00 31.43 O ATOM 341 CB SER A 52 9.028 -11.861 1.177 1.00 34.66 C ATOM 342 OG SER A 52 10.404 -11.529 1.174 1.00 32.61 O ATOM 343 N PRO A 53 9.465 -14.073 3.359 1.00 32.91 N ATOM 344 CA PRO A 53 10.299 -14.867 4.277 1.00 30.76 C ATOM 345 C PRO A 53 11.733 -14.380 4.423 1.00 33.60 C ATOM 346 O PRO A 53 12.267 -14.387 5.541 1.00 36.86 O ATOM 347 CB PRO A 53 10.231 -16.267 3.653 1.00 33.83 C ATOM 348 CG PRO A 53 8.872 -16.311 3.060 1.00 33.03 C ATOM 349 CD PRO A 53 8.582 -14.923 2.541 1.00 35.50 C ATOM 350 N ASP A 54 12.382 -13.950 3.344 1.00 31.84 N ATOM 351 CA ASP A 54 13.748 -13.452 3.457 1.00 34.32 C ATOM 352 C ASP A 54 13.809 -11.937 3.562 1.00 33.62 C ATOM 353 O ASP A 54 14.894 -11.360 3.449 1.00 35.11 O ATOM 354 CB ASP A 54 14.613 -13.954 2.290 1.00 39.22 C ATOM 355 CG ASP A 54 14.207 -13.374 0.940 1.00 42.89 C ATOM 356 OD1 ASP A 54 13.323 -12.498 0.878 1.00 46.34 O ATOM 357 OD2 ASP A 54 14.800 -13.791 -0.080 1.00 47.27 O ATOM 358 N HIS A 55 12.667 -11.285 3.764 1.00 31.97 N ATOM 359 CA HIS A 55 12.565 -9.837 3.959 1.00 31.74 C ATOM 360 C HIS A 55 13.067 -9.031 2.764 1.00 31.38 C ATOM 361 O HIS A 55 13.325 -7.828 2.895 1.00 29.10 O ATOM 362 CB HIS A 55 13.275 -9.404 5.251 1.00 30.69 C ATOM 363 CG HIS A 55 12.664 -9.993 6.486 1.00 30.88 C ATOM 364 ND1 HIS A 55 13.061 -11.204 7.018 1.00 34.32 N ATOM 365 CD2 HIS A 55 11.644 -9.559 7.265 1.00 31.58 C ATOM 366 CE1 HIS A 55 12.328 -11.475 8.083 1.00 30.97 C ATOM 367 NE2 HIS A 55 11.460 -10.492 8.255 1.00 32.09 N ATOM 368 N THR A 56 13.167 -9.639 1.579 1.00 32.06 N ATOM 369 CA THR A 56 13.547 -8.885 0.387 1.00 34.40 C ATOM 370 C THR A 56 12.355 -8.368 -0.398 1.00 34.76 C ATOM 371 O THR A 56 12.543 -7.624 -1.368 1.00 32.33 O ATOM 372 CB THR A 56 14.420 -9.726 -0.550 1.00 35.60 C ATOM 373 OG1 THR A 56 13.656 -10.816 -1.069 1.00 41.36 O ATOM 374 CG2 THR A 56 15.639 -10.242 0.182 1.00 38.63 C ATOM 375 N LYS A 57 11.140 -8.745 -0.020 1.00 32.24 N ATOM 376 CA LYS A 57 9.941 -8.154 -0.585 1.00 33.29 C ATOM 377 C LYS A 57 9.089 -7.633 0.556 1.00 34.10 C ATOM 378 O LYS A 57 8.960 -8.292 1.591 1.00 31.72 O ATOM 379 CB LYS A 57 9.157 -9.169 -1.410 1.00 38.96 C ATOM 380 CG LYS A 57 9.927 -9.710 -2.593 1.00 40.68 C ATOM 381 CD LYS A 57 9.105 -10.738 -3.339 1.00 48.00 C ATOM 382 CE LYS A 57 9.567 -10.875 -4.776 1.00 56.10 C ATOM 383 NZ LYS A 57 10.992 -11.272 -4.840 1.00 59.60 N ATOM 384 N MET A 58 8.540 -6.439 0.385 1.00 41.14 N ATOM 385 CA MET A 58 7.635 -5.877 1.372 1.00 39.73 C ATOM 386 C MET A 58 6.231 -5.780 0.794 1.00 36.74 C ATOM 387 O MET A 58 6.037 -5.630 -0.415 1.00 40.83 O ATOM 388 CB MET A 58 8.116 -4.511 1.860 1.00 36.67 C ATOM 389 CG MET A 58 8.507 -3.540 0.768 1.00 42.80 C ATOM 390 SD MET A 58 8.600 -1.834 1.338 1.00 52.92 S ATOM 391 CE MET A 58 9.931 -1.911 2.500 1.00 39.12 C ATOM 392 N GLY A 59 5.248 -5.917 1.678 1.00 32.34 N ATOM 393 CA GLY A 59 3.874 -5.747 1.333 1.00 35.48 C ATOM 394 C GLY A 59 3.328 -4.434 1.839 1.00 34.99 C ATOM 395 O GLY A 59 4.075 -3.484 2.130 1.00 31.14 O ATOM 396 N LYS A 60 2.013 -4.378 1.964 1.00 35.39 N ATOM 397 CA LYS A 60 1.347 -3.171 2.403 1.00 33.79 C ATOM 398 C LYS A 60 1.596 -2.931 3.887 1.00 30.08 C ATOM 399 O LYS A 60 1.705 -3.869 4.685 1.00 29.48 O ATOM 400 CB LYS A 60 -0.146 -3.289 2.117 1.00 39.77 C ATOM 401 CG LYS A 60 -0.466 -3.408 0.634 1.00 50.46 C ATOM 402 CD LYS A 60 -1.466 -4.529 0.380 1.00 58.97 C ATOM 403 CE LYS A 60 -2.322 -4.252 -0.847 1.00 67.63 C ATOM 404 NZ LYS A 60 -3.618 -4.992 -0.820 1.00 72.20 N ATOM 405 N GLY A 61 1.692 -1.660 4.255 1.00 29.59 N ATOM 406 CA GLY A 61 1.866 -1.332 5.656 1.00 27.68 C ATOM 407 C GLY A 61 1.888 0.163 5.849 1.00 25.86 C ATOM 408 O GLY A 61 1.634 0.939 4.923 1.00 27.85 O ATOM 409 N ILE A 62 2.196 0.566 7.076 1.00 25.63 N ATOM 410 CA ILE A 62 2.215 1.977 7.438 1.00 25.60 C ATOM 411 C ILE A 62 3.504 2.295 8.185 1.00 24.15 C ATOM 412 O ILE A 62 4.013 1.471 8.958 1.00 24.49 O ATOM 413 CB ILE A 62 0.966 2.366 8.265 1.00 27.23 C ATOM 414 CG1 ILE A 62 0.897 3.888 8.450 1.00 25.97 C ATOM 415 CG2 ILE A 62 0.948 1.666 9.608 1.00 29.37 C ATOM 416 CD1 ILE A 62 -0.464 4.425 8.614 1.00 32.91 C ATOM 417 N THR A 63 4.051 3.477 7.921 1.00 25.61 N ATOM 418 CA THR A 63 5.188 4.004 8.658 1.00 24.66 C ATOM 419 C THR A 63 4.682 5.063 9.624 1.00 27.87 C ATOM 420 O THR A 63 3.824 5.875 9.269 1.00 29.61 O ATOM 421 CB THR A 63 6.236 4.587 7.704 1.00 28.42 C ATOM 422 OG1 THR A 63 6.578 3.604 6.716 1.00 29.93 O ATOM 423 CG2 THR A 63 7.508 4.979 8.467 1.00 32.44 C ATOM 424 N LEU A 64 5.179 5.027 10.858 1.00 26.43 N ATOM 425 CA LEU A 64 4.781 5.973 11.889 1.00 26.09 C ATOM 426 C LEU A 64 6.006 6.648 12.469 1.00 27.21 C ATOM 427 O LEU A 64 7.002 5.988 12.774 1.00 27.43 O ATOM 428 CB LEU A 64 4.008 5.299 13.019 1.00 26.51 C ATOM 429 CG LEU A 64 2.697 4.606 12.671 1.00 27.01 C ATOM 430 CD1 LEU A 64 2.135 4.018 13.937 1.00 34.89 C ATOM 431 CD2 LEU A 64 1.716 5.596 12.069 1.00 29.65 C ATOM 432 N SER A 65 5.922 7.958 12.642 1.00 28.91 N ATOM 433 CA SER A 65 6.952 8.664 13.380 1.00 29.67 C ATOM 434 C SER A 65 6.939 8.223 14.838 1.00 29.04 C ATOM 435 O SER A 65 5.977 7.631 15.321 1.00 27.86 O ATOM 436 CB SER A 65 6.711 10.165 13.297 1.00 30.00 C ATOM 437 OG SER A 65 5.534 10.500 14.019 1.00 31.39 O ATOM 438 N ASN A 66 8.030 8.517 15.549 0.83 31.16 N ATOM 439 CA AASN A 66 8.084 8.184 16.970 0.54 33.31 C ATOM 440 CA BASN A 66 8.079 8.178 16.968 0.46 33.18 C ATOM 441 C ASN A 66 6.912 8.809 17.720 1.00 33.41 C ATOM 442 O ASN A 66 6.290 8.160 18.572 0.99 32.99 O ATOM 443 CB AASN A 66 9.417 8.644 17.566 0.54 36.05 C ATOM 444 CB BASN A 66 9.411 8.622 17.569 0.46 36.25 C ATOM 445 CG AASN A 66 10.616 7.969 16.915 0.54 36.00 C ATOM 446 CG BASN A 66 9.452 8.453 19.072 0.46 36.67 C ATOM 447 OD1AASN A 66 10.502 6.881 16.349 0.54 37.71 O ATOM 448 OD1BASN A 66 9.384 7.337 19.587 0.46 38.61 O ATOM 449 ND2AASN A 66 11.776 8.608 17.006 0.54 41.35 N ATOM 450 ND2BASN A 66 9.571 9.565 19.787 0.46 35.82 N ATOM 451 N GLU A 67 6.596 10.064 17.408 1.00 33.05 N ATOM 452 CA GLU A 67 5.479 10.748 18.049 1.00 32.19 C ATOM 453 C GLU A 67 4.152 10.075 17.722 1.00 32.26 C ATOM 454 O GLU A 67 3.282 9.950 18.592 1.00 33.71 O ATOM 455 CB GLU A 67 5.462 12.213 17.614 1.00 37.38 C ATOM 456 CG GLU A 67 4.592 13.116 18.464 1.00 34.53 C ATOM 457 CD GLU A 67 5.255 13.523 19.766 1.00 43.90 C ATOM 458 OE1 GLU A 67 4.566 14.114 20.628 1.00 47.40 O ATOM 459 OE2 GLU A 67 6.465 13.257 19.927 1.00 45.75 O ATOM 460 N GLU A 68 3.978 9.636 16.472 1.00 31.33 N ATOM 461 CA GLU A 68 2.740 8.961 16.094 1.00 30.11 C ATOM 462 C GLU A 68 2.624 7.618 16.794 1.00 28.99 C ATOM 463 O GLU A 68 1.557 7.259 17.302 1.00 30.09 O ATOM 464 CB GLU A 68 2.680 8.786 14.575 1.00 30.17 C ATOM 465 CG GLU A 68 2.316 10.063 13.820 1.00 31.37 C ATOM 466 CD GLU A 68 2.678 10.010 12.339 1.00 36.74 C ATOM 467 OE1 GLU A 68 3.245 8.995 11.887 1.00 31.77 O ATOM 468 OE2 GLU A 68 2.400 10.993 11.617 1.00 40.34 O ATOM 469 N PHE A 69 3.722 6.863 16.842 1.00 29.55 N ATOM 470 CA PHE A 69 3.685 5.569 17.506 1.00 30.83 C ATOM 471 C PHE A 69 3.438 5.719 19.002 1.00 35.22 C ATOM 472 O PHE A 69 2.674 4.949 19.589 1.00 36.84 O ATOM 473 CB PHE A 69 4.986 4.816 17.249 1.00 30.23 C ATOM 474 CG PHE A 69 4.922 3.364 17.620 1.00 32.79 C ATOM 475 CD1 PHE A 69 4.445 2.423 16.719 1.00 32.10 C ATOM 476 CD2 PHE A 69 5.340 2.939 18.868 1.00 38.88 C ATOM 477 CE1 PHE A 69 4.390 1.076 17.059 1.00 35.09 C ATOM 478 CE2 PHE A 69 5.285 1.600 19.213 1.00 36.67 C ATOM 479 CZ PHE A 69 4.806 0.669 18.308 1.00 39.16 C ATOM 480 N GLN A 70 4.057 6.718 19.636 1.00 35.08 N ATOM 481 CA GLN A 70 3.833 6.921 21.065 1.00 39.44 C ATOM 482 C GLN A 70 2.402 7.366 21.345 1.00 40.03 C ATOM 483 O GLN A 70 1.801 6.952 22.343 1.00 44.33 O ATOM 484 CB GLN A 70 4.833 7.935 21.622 1.00 44.11 C ATOM 485 CG GLN A 70 6.151 7.317 22.062 1.00 51.15 C ATOM 486 CD GLN A 70 5.961 6.017 22.836 1.00 68.25 C ATOM 487 OE1 GLN A 70 6.547 4.985 22.493 1.00 63.49 O ATOM 488 NE2 GLN A 70 5.152 6.066 23.897 1.00 63.19 N ATOM 489 N THR A 71 1.839 8.207 20.474 1.00 37.34 N ATOM 490 CA THR A 71 0.437 8.590 20.616 1.00 36.52 C ATOM 491 C THR A 71 -0.463 7.360 20.601 1.00 37.28 C ATOM 492 O THR A 71 -1.410 7.259 21.391 1.00 40.82 O ATOM 493 CB THR A 71 0.041 9.567 19.502 1.00 35.71 C ATOM 494 OG1 THR A 71 0.862 10.747 19.565 1.00 33.50 O ATOM 495 CG2 THR A 71 -1.438 9.961 19.615 1.00 34.87 C ATOM 496 N MET A 72 -0.161 6.402 19.723 1.00 35.90 N ATOM 497 CA MET A 72 -0.949 5.175 19.642 1.00 34.05 C ATOM 498 C MET A 72 -0.824 4.336 20.908 1.00 37.17 C ATOM 499 O MET A 72 -1.828 3.833 21.425 1.00 43.38 O ATOM 500 CB MET A 72 -0.522 4.355 18.427 1.00 33.53 C ATOM 501 CG MET A 72 -1.149 2.969 18.377 1.00 37.07 C ATOM 502 SD MET A 72 -0.741 2.085 16.861 1.00 31.93 S ATOM 503 CE MET A 72 0.988 1.730 17.119 1.00 34.02 C ATOM 504 N VAL A 73 0.394 4.160 21.420 1.00 40.91 N ATOM 505 CA VAL A 73 0.580 3.288 22.576 1.00 47.70 C ATOM 506 C VAL A 73 -0.079 3.888 23.811 1.00 46.87 C ATOM 507 O VAL A 73 -0.778 3.193 24.559 1.00 52.43 O ATOM 508 CB VAL A 73 2.073 3.006 22.812 1.00 48.39 C ATOM 509 CG1 VAL A 73 2.230 1.986 23.918 1.00 52.77 C ATOM 510 CG2 VAL A 73 2.715 2.499 21.540 1.00 46.79 C ATOM 511 N ASP A 74 0.127 5.189 24.039 1.00 51.85 N ATOM 512 CA ASP A 74 -0.508 5.844 25.180 1.00 50.00 C ATOM 513 C ASP A 74 -2.026 5.749 25.112 1.00 53.16 C ATOM 514 O ASP A 74 -2.692 5.706 26.152 1.00 59.87 O ATOM 515 CB ASP A 74 -0.081 7.310 25.257 1.00 52.12 C ATOM 516 CG ASP A 74 1.414 7.475 25.391 1.00 57.28 C ATOM 517 OD1 ASP A 74 2.123 6.451 25.492 1.00 60.25 O ATOM 518 OD2 ASP A 74 1.883 8.631 25.392 1.00 59.20 O ATOM 519 N ALA A 75 -2.590 5.692 23.905 1.00 48.76 N ATOM 520 CA ALA A 75 -4.039 5.754 23.765 1.00 50.58 C ATOM 521 C ALA A 75 -4.698 4.443 24.172 1.00 50.77 C ATOM 522 O ALA A 75 -5.695 4.442 24.901 1.00 53.52 O ATOM 523 CB ALA A 75 -4.412 6.124 22.329 1.00 45.51 C ATOM 524 N PHE A 76 -4.163 3.314 23.713 1.00 51.99 N ATOM 525 CA PHE A 76 -4.822 2.030 23.925 1.00 52.13 C ATOM 526 C PHE A 76 -4.314 1.283 25.152 1.00 58.51 C ATOM 527 O PHE A 76 -4.862 0.227 25.485 1.00 60.70 O ATOM 528 CB PHE A 76 -4.681 1.155 22.674 1.00 50.78 C ATOM 529 CG PHE A 76 -5.432 1.688 21.488 1.00 45.54 C ATOM 530 CD1 PHE A 76 -6.753 1.339 21.272 1.00 47.55 C ATOM 531 CD2 PHE A 76 -4.822 2.559 20.601 1.00 45.47 C ATOM 532 CE1 PHE A 76 -7.450 1.841 20.188 1.00 43.78 C ATOM 533 CE2 PHE A 76 -5.516 3.065 19.519 1.00 44.33 C ATOM 534 CZ PHE A 76 -6.827 2.711 19.312 1.00 42.16 C ATOM 535 N LYS A 77 -3.302 1.805 25.838 1.00 62.05 N ATOM 536 CA LYS A 77 -2.857 1.234 27.105 1.00 63.01 C ATOM 537 C LYS A 77 -2.260 2.317 27.995 1.00 63.73 C ATOM 538 O LYS A 77 -1.271 2.954 27.631 1.00 65.54 O ATOM 539 CB LYS A 77 -1.834 0.124 26.873 1.00 64.02 C TER 540 LYS A 77 ATOM 541 P DT B 2 1.410 -10.556 -4.433 0.73 81.29 P ATOM 542 OP1 DT B 2 0.314 -10.775 -5.404 0.73 73.14 O ATOM 543 OP2 DT B 2 2.641 -11.378 -4.495 0.73 67.96 O ATOM 544 O5' DT B 2 1.848 -9.020 -4.481 0.73 62.53 O ATOM 545 C5' DT B 2 0.914 -8.004 -4.151 0.73 61.42 C ATOM 546 C4' DT B 2 1.292 -7.324 -2.846 0.73 58.45 C ATOM 547 O4' DT B 2 0.917 -8.176 -1.731 0.73 55.61 O ATOM 548 C3' DT B 2 2.782 -7.024 -2.682 0.73 55.99 C ATOM 549 O3' DT B 2 2.962 -5.712 -2.128 0.73 53.80 O ATOM 550 C2' DT B 2 3.259 -8.127 -1.729 0.73 51.34 C ATOM 551 C1' DT B 2 2.019 -8.360 -0.873 0.73 46.22 C ATOM 552 N1 DT B 2 1.920 -9.743 -0.265 0.73 45.12 N ATOM 553 C2 DT B 2 1.551 -9.870 1.058 0.73 41.27 C ATOM 554 O2 DT B 2 1.316 -8.916 1.778 0.73 42.18 O ATOM 555 N3 DT B 2 1.474 -11.160 1.516 0.73 37.29 N ATOM 556 C4 DT B 2 1.713 -12.314 0.802 0.73 37.24 C ATOM 557 O4 DT B 2 1.614 -13.431 1.307 0.73 43.23 O ATOM 558 C5 DT B 2 2.087 -12.117 -0.583 0.73 40.75 C ATOM 559 C7 DT B 2 2.375 -13.299 -1.461 0.73 43.73 C ATOM 560 C6 DT B 2 2.166 -10.853 -1.045 0.73 44.31 C ATOM 561 P DT B 3 3.027 -4.423 -3.093 0.73 65.50 P ATOM 562 OP1 DT B 3 1.844 -3.586 -2.802 0.73 65.32 O ATOM 563 OP2 DT B 3 3.267 -4.904 -4.471 0.73 63.96 O ATOM 564 O5' DT B 3 4.346 -3.638 -2.628 0.73 58.92 O ATOM 565 C5' DT B 3 4.311 -2.752 -1.505 0.73 55.11 C ATOM 566 C4' DT B 3 5.682 -2.139 -1.272 0.73 57.09 C ATOM 567 O4' DT B 3 6.668 -2.942 -1.952 0.73 56.92 O ATOM 568 C3' DT B 3 5.854 -0.732 -1.822 0.73 64.73 C ATOM 569 O3' DT B 3 5.561 0.220 -0.808 0.73 71.21 O ATOM 570 C2' DT B 3 7.332 -0.668 -2.220 0.73 61.91 C ATOM 571 C1' DT B 3 7.726 -2.133 -2.423 0.73 60.10 C ATOM 572 N1 DT B 3 8.001 -2.499 -3.844 0.73 61.89 N ATOM 573 C2 DT B 3 9.206 -2.145 -4.413 0.73 58.60 C ATOM 574 O2 DT B 3 10.075 -1.529 -3.817 0.73 55.60 O ATOM 575 N3 DT B 3 9.358 -2.536 -5.719 0.73 58.19 N ATOM 576 C4 DT B 3 8.446 -3.234 -6.495 0.73 64.38 C ATOM 577 O4 DT B 3 8.675 -3.541 -7.661 0.73 66.53 O ATOM 578 C5 DT B 3 7.206 -3.579 -5.834 0.73 61.92 C ATOM 579 C7 DT B 3 6.142 -4.335 -6.574 0.73 61.24 C ATOM 580 C6 DT B 3 7.047 -3.201 -4.556 0.73 60.76 C ATOM 581 P DT B 4 4.990 1.669 -1.203 0.73 92.58 P ATOM 582 OP1 DT B 4 3.578 1.472 -1.591 0.73 77.44 O ATOM 583 OP2 DT B 4 5.938 2.296 -2.154 0.73 86.24 O ATOM 584 O5' DT B 4 5.046 2.496 0.166 0.73 78.21 O TER 585 DT B 4 HETATM 586 OH2 1PE A 100 22.563 0.766 13.160 0.95 56.97 O HETATM 587 C12 1PE A 100 21.250 0.467 13.539 0.95 53.38 C HETATM 588 C22 1PE A 100 20.480 1.762 13.779 0.95 55.02 C HETATM 589 OH3 1PE A 100 19.123 1.440 13.894 0.95 55.75 O HETATM 590 C13 1PE A 100 17.017 2.361 14.530 0.95 47.34 C HETATM 591 C23 1PE A 100 18.459 2.078 14.946 0.95 57.20 C HETATM 592 OH4 1PE A 100 16.529 3.487 15.209 0.95 51.91 O HETATM 593 C14 1PE A 100 16.994 5.532 14.041 0.95 52.66 C HETATM 594 C24 1PE A 100 17.376 4.605 15.192 0.95 55.71 C HETATM 595 OH5 1PE A 100 18.047 5.597 13.120 0.95 43.37 O HETATM 596 C15 1PE A 100 20.242 6.532 13.069 0.95 56.48 C HETATM 597 C25 1PE A 100 18.741 6.809 13.154 0.95 54.89 C HETATM 598 OH6 1PE A 100 20.814 6.593 14.347 0.95 63.51 O HETATM 599 C16 1PE A 100 22.822 5.287 14.343 0.95 64.43 C HETATM 600 C26 1PE A 100 22.212 6.686 14.344 0.95 62.60 C HETATM 601 OH7 1PE A 100 22.200 4.491 15.317 0.95 68.54 O HETATM 602 OH4 1PE B 101 8.865 -5.197 -2.158 0.91 52.09 O HETATM 603 C14 1PE B 101 10.272 -5.607 -4.025 0.91 52.59 C HETATM 604 C24 1PE B 101 10.156 -4.976 -2.641 0.91 51.09 C HETATM 605 OH5 1PE B 101 11.593 -5.497 -4.472 0.91 52.20 O HETATM 606 C15 1PE B 101 11.934 -7.851 -4.818 0.91 46.73 C HETATM 607 C25 1PE B 101 11.934 -6.455 -5.440 0.91 51.83 C HETATM 608 OH6 1PE B 101 13.214 -8.422 -4.858 0.91 49.07 O HETATM 609 O HOH A 201 4.492 12.733 13.028 0.73 34.20 O HETATM 610 O HOH A 202 10.044 -12.076 15.878 0.88 42.04 O HETATM 611 O HOH A 203 11.369 -13.544 -0.685 1.00 48.59 O HETATM 612 O HOH A 204 9.338 -12.705 7.110 0.74 30.06 O HETATM 613 O HOH A 205 8.905 -13.877 12.763 0.69 34.27 O HETATM 614 O HOH A 206 21.492 8.566 5.362 0.81 33.03 O HETATM 615 O HOH A 207 8.039 -3.344 9.031 0.92 26.28 O HETATM 616 O HOH A 208 15.299 -12.725 6.364 0.63 35.92 O HETATM 617 O HOH A 209 10.118 -12.489 11.343 0.67 37.45 O HETATM 618 O HOH A 210 8.868 -16.946 7.360 0.96 34.51 O HETATM 619 O HOH A 211 17.101 3.266 3.256 0.97 33.52 O HETATM 620 O HOH A 212 -1.567 -12.341 16.453 0.98 31.55 O HETATM 621 O HOH A 213 15.530 -6.380 3.920 0.95 44.99 O HETATM 622 O HOH A 214 16.839 -6.589 15.156 0.91 38.66 O HETATM 623 O HOH A 215 12.761 -8.517 10.688 0.98 32.67 O HETATM 624 O HOH A 216 12.287 8.847 3.604 0.94 45.62 O HETATM 625 O HOH A 217 3.620 2.796 3.904 0.93 38.64 O HETATM 626 O HOH A 218 6.770 -15.885 12.669 1.00 35.74 O HETATM 627 O HOH A 219 12.808 6.300 7.353 0.71 34.59 O HETATM 628 O HOH A 220 8.020 -11.348 17.957 1.00 44.05 O HETATM 629 O HOH A 221 16.674 -4.802 5.228 1.00 35.18 O HETATM 630 O HOH A 222 12.947 9.797 9.038 0.92 45.90 O HETATM 631 O HOH A 223 2.605 0.418 1.891 0.90 51.79 O HETATM 632 O HOH A 224 10.259 9.706 13.891 1.00 40.14 O HETATM 633 O HOH A 225 6.708 -15.686 -1.335 0.99 51.38 O HETATM 634 O HOH A 226 2.986 5.198 5.625 0.78 32.67 O HETATM 635 O HOH A 227 -0.332 -6.108 5.366 0.55 28.40 O HETATM 636 O HOH A 228 18.316 -6.040 7.581 0.95 40.54 O HETATM 637 O HOH A 229 19.587 -5.780 10.199 1.00 56.83 O HETATM 638 O HOH A 230 0.501 -12.560 7.840 0.94 45.51 O HETATM 639 O HOH A 231 10.393 -14.756 8.192 0.83 34.27 O HETATM 640 O HOH A 232 19.307 3.152 4.639 0.73 34.31 O HETATM 641 O HOH A 233 20.884 -3.484 11.051 1.00 51.05 O HETATM 642 O HOH A 234 12.686 -11.073 11.685 0.85 46.56 O HETATM 643 O HOH A 235 15.129 -8.557 9.155 0.84 40.17 O HETATM 644 O HOH A 236 17.040 -7.342 11.039 1.00 52.14 O HETATM 645 O HOH A 237 11.003 7.915 6.213 1.00 42.62 O HETATM 646 O HOH A 238 16.446 -7.687 6.753 0.95 41.91 O HETATM 647 O HOH B 201 0.605 -6.806 1.619 0.92 46.22 O HETATM 648 O HOH B 202 7.125 -6.309 -3.459 1.00 57.51 O HETATM 649 O HOH B 203 -0.534 -8.421 4.360 0.86 41.78 O HETATM 650 O HOH B 204 0.762 -10.925 4.994 1.00 45.17 O CONECT 586 587 CONECT 587 586 588 CONECT 588 587 589 CONECT 589 588 591 CONECT 590 591 592 CONECT 591 589 590 CONECT 592 590 594 CONECT 593 594 595 CONECT 594 592 593 CONECT 595 593 597 CONECT 596 597 598 CONECT 597 595 596 CONECT 598 596 600 CONECT 599 600 601 CONECT 600 598 599 CONECT 601 599 CONECT 602 604 CONECT 603 604 605 CONECT 604 602 603 CONECT 605 603 607 CONECT 606 607 608 CONECT 607 605 606 CONECT 608 606 MASTER 259 0 2 1 4 0 3 6 643 2 23 8 END
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Related entries of code: 6jip
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6jip
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
Streptococcus pneumoniae SP_0782 (residues 7-79)
Ligand Name
single-stranded DNA dT6
EC.Number
E.C.-.-.-.-
Resolution
1.66(Å)
Affinity (Kd/Ki/IC50)
Kd=26.8uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2020) Nucleic Acids Res. Vol. 48: pp. 432-444
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UniProt accession number (AC):
Q8DQG2
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