Browse entries in the PDBbind-CN Database
HEADER RNA BINDING PROTEIN/RNA 20-NOV-17 5YTS TITLE CRYSTAL STRUCTURE OF YB1 COLD-SHOCK DOMAIN IN COMPLEX WITH UCUUCU COMPND MOL_ID: 1; COMPND 2 MOLECULE: NUCLEASE-SENSITIVE ELEMENT-BINDING PROTEIN 1; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CCAAT-BINDING TRANSCRIPTION FACTOR I SUBUNIT A,CBF-A,DNA- COMPND 5 BINDING PROTEIN B,DBPB,ENHANCER FACTOR I SUBUNIT A,EFI-A,Y-BOX COMPND 6 TRANSCRIPTION FACTOR,Y-BOX-BINDING PROTEIN 1,YB-1; COMPND 7 ENGINEERED: YES; COMPND 8 MOL_ID: 2; COMPND 9 MOLECULE: RNA (5'-R(P*CP*UP*UP*C)-3'); COMPND 10 CHAIN: B; COMPND 11 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: YBX1, NSEP1, YB1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 MOL_ID: 2; SOURCE 9 SYNTHETIC: YES; SOURCE 10 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 11 ORGANISM_TAXID: 32630 KEYWDS YB1, COLD-SHOCK DOMAIN, CUUC, RNA BINDING PROTEIN, RNA BINDING KEYWDS 2 PROTEIN-RNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR X.YANG,Y.HUANG REVDAT 3 24-JUL-19 5YTS 1 JRNL REVDAT 2 19-JUN-19 5YTS 1 JRNL REVDAT 1 05-DEC-18 5YTS 0 JRNL AUTH X.J.YANG,H.ZHU,S.R.MU,W.J.WEI,X.YUAN,M.WANG,Y.LIU,J.HUI, JRNL AUTH 2 Y.HUANG JRNL TITL CRYSTAL STRUCTURE OF A Y-BOX BINDING PROTEIN 1 (YB-1)-RNA JRNL TITL 2 COMPLEX REVEALS KEY FEATURES AND RESIDUES INTERACTING WITH JRNL TITL 3 RNA. JRNL REF J.BIOL.CHEM. V. 294 10998 2019 JRNL REFN ESSN 1083-351X JRNL PMID 31160337 JRNL DOI 10.1074/JBC.RA119.007545 REMARK 2 REMARK 2 RESOLUTION. 1.77 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.9_1692 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) : 1.77 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.00 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.350 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.0 REMARK 3 NUMBER OF REFLECTIONS : 8943 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.191 REMARK 3 R VALUE (WORKING SET) : 0.187 REMARK 3 FREE R VALUE : 0.227 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.920 REMARK 3 FREE R VALUE TEST SET COUNT : 886 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 32.8611 - 3.2145 1.00 1400 154 0.1760 0.1985 REMARK 3 2 3.2145 - 2.5517 1.00 1358 150 0.1921 0.2321 REMARK 3 3 2.5517 - 2.2293 1.00 1345 150 0.1782 0.2409 REMARK 3 4 2.2293 - 2.0255 1.00 1345 145 0.1780 0.2314 REMARK 3 5 2.0255 - 1.8803 0.99 1320 147 0.2083 0.2628 REMARK 3 6 1.8803 - 1.7695 0.96 1279 140 0.2687 0.3227 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) : 0.200 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 24.990 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL 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 : 0.006 706 REMARK 3 ANGLE : 0.901 976 REMARK 3 CHIRALITY : 0.036 118 REMARK 3 PLANARITY : 0.004 111 REMARK 3 DIHEDRAL : 13.751 277 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 5YTS COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 23-NOV-17. REMARK 100 THE DEPOSITION ID IS D_1300005399. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 12-DEC-14 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 4.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRF REMARK 200 BEAMLINE : BL17U1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9790 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 16820 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.770 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 (%) : 99.0 REMARK 200 DATA REDUNDANCY : 7.300 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 30.7000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHENIX REMARK 200 STARTING MODEL: 3PF5 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 42.41 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.14 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 30 % (V/V) 2-METHYL-2,4-PENTANEDIOL, REMARK 280 0.1 M SODIUM ACETATE, PH 4.5, 25 % (W/V) PEG 1500, VAPOR REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 290K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 62 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 -X,-Y,Z REMARK 290 5555 Y,-X+Y,Z+2/3 REMARK 290 6555 X-Y,X,Z+1/3 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 24.64467 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 12.32233 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 24.64467 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 12.32233 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: 1240 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 5220 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -16.0 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 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH B 105 LIES ON A SPECIAL POSITION. 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 GLY A 48 REMARK 465 SER A 49 REMARK 465 GLY A 50 REMARK 465 ASP A 51 REMARK 465 ASN A 94 REMARK 465 ASN A 95 REMARK 465 PRO A 96 REMARK 465 ARG A 97 REMARK 465 GLY A 130 REMARK 465 U B 1 REMARK 465 U B 6 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 301 O HOH A 335 1.89 REMARK 500 O HOH B 106 O HOH B 108 2.07 REMARK 500 O HOH A 301 O HOH A 334 2.12 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 312 O HOH A 329 5554 2.06 REMARK 500 REMARK 500 REMARK: NULL REMARK 615 REMARK 615 ZERO OCCUPANCY ATOM REMARK 615 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 615 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 615 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 615 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 615 M RES C SSEQI REMARK 615 SO4 A 200 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 5YTT RELATED DB: PDB REMARK 900 RELATED ID: 5YTV RELATED DB: PDB REMARK 900 RELATED ID: 5YTX RELATED DB: PDB DBREF 5YTS A 50 130 UNP P67809 YBOX1_HUMAN 50 130 DBREF 5YTS B 1 6 PDB 5YTS 5YTS 1 6 SEQADV 5YTS GLY A 48 UNP P67809 EXPRESSION TAG SEQADV 5YTS SER A 49 UNP P67809 EXPRESSION TAG SEQRES 1 A 83 GLY SER GLY ASP LYS LYS VAL ILE ALA THR LYS VAL LEU SEQRES 2 A 83 GLY THR VAL LYS TRP PHE ASN VAL ARG ASN GLY TYR GLY SEQRES 3 A 83 PHE ILE ASN ARG ASN ASP THR LYS GLU ASP VAL PHE VAL SEQRES 4 A 83 HIS GLN THR ALA ILE LYS LYS ASN ASN PRO ARG LYS TYR SEQRES 5 A 83 LEU ARG SER VAL GLY ASP GLY GLU THR VAL GLU PHE ASP SEQRES 6 A 83 VAL VAL GLU GLY GLU LYS GLY ALA GLU ALA ALA ASN VAL SEQRES 7 A 83 THR GLY PRO GLY GLY SEQRES 1 B 6 U C U U C U HET SO4 A 200 5 HETNAM SO4 SULFATE ION FORMUL 3 SO4 O4 S 2- FORMUL 4 HOH *57(H2 O) HELIX 1 AA1 THR A 89 ILE A 91 5 3 SHEET 1 AA1 6 LYS A 53 ASN A 67 0 SHEET 2 AA1 6 TYR A 72 ARG A 77 -1 O ASN A 76 N THR A 62 SHEET 3 AA1 6 ASP A 83 HIS A 87 -1 O VAL A 84 N ILE A 75 SHEET 4 AA1 6 GLY A 119 THR A 126 1 O ALA A 122 N PHE A 85 SHEET 5 AA1 6 THR A 108 GLY A 116 -1 N GLY A 116 O GLY A 119 SHEET 6 AA1 6 LYS A 53 ASN A 67 -1 N ILE A 55 O VAL A 113 CRYST1 65.711 65.711 36.967 90.00 90.00 120.00 P 62 6 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 0.015218 0.008786 0.000000 0.00000 SCALE2 0.000000 0.017572 0.000000 0.00000 SCALE3 0.000000 0.000000 0.027051 0.00000 ATOM 1 N LYS A 52 -8.604 -9.910 -36.328 1.00 53.79 N ATOM 2 CA LYS A 52 -8.531 -10.419 -37.693 1.00 47.41 C ATOM 3 C LYS A 52 -8.701 -11.933 -37.710 1.00 40.74 C ATOM 4 O LYS A 52 -9.068 -12.515 -38.734 1.00 45.91 O ATOM 5 CB LYS A 52 -7.203 -10.010 -38.349 1.00 63.43 C ATOM 6 CG LYS A 52 -6.974 -10.599 -39.743 1.00 59.84 C ATOM 7 CD LYS A 52 -7.126 -9.540 -40.823 1.00 73.15 C ATOM 8 CE LYS A 52 -5.886 -9.441 -41.688 1.00 69.97 C ATOM 9 NZ LYS A 52 -5.803 -10.590 -42.625 1.00 72.41 N ATOM 10 N LYS A 53 -8.450 -12.581 -36.575 1.00 43.81 N ATOM 11 CA LYS A 53 -8.649 -14.030 -36.506 1.00 32.81 C ATOM 12 C LYS A 53 -10.114 -14.424 -36.358 1.00 24.44 C ATOM 13 O LYS A 53 -10.842 -13.900 -35.513 1.00 30.06 O ATOM 14 CB LYS A 53 -7.822 -14.651 -35.375 1.00 34.67 C ATOM 15 CG LYS A 53 -6.458 -15.116 -35.870 1.00 60.04 C ATOM 16 CD LYS A 53 -5.555 -15.622 -34.764 1.00 50.07 C ATOM 17 CE LYS A 53 -5.777 -14.869 -33.466 1.00 62.06 C ATOM 18 NZ LYS A 53 -4.469 -14.502 -32.841 1.00 64.83 N ATOM 19 N VAL A 54 -10.520 -15.360 -37.205 1.00 26.60 N ATOM 20 CA VAL A 54 -11.874 -15.894 -37.208 1.00 25.08 C ATOM 21 C VAL A 54 -12.061 -16.850 -36.038 1.00 30.60 C ATOM 22 O VAL A 54 -11.339 -17.846 -35.903 1.00 27.30 O ATOM 23 CB VAL A 54 -12.168 -16.606 -38.535 1.00 27.27 C ATOM 24 CG1 VAL A 54 -13.567 -17.184 -38.552 1.00 24.56 C ATOM 25 CG2 VAL A 54 -11.968 -15.643 -39.704 1.00 28.18 C ATOM 26 N ILE A 55 -13.034 -16.534 -35.195 1.00 24.65 N ATOM 27 CA AILE A 55 -13.335 -17.313 -34.003 0.58 25.34 C ATOM 28 CA BILE A 55 -13.315 -17.335 -34.017 0.42 25.41 C ATOM 29 C ILE A 55 -14.463 -18.307 -34.273 1.00 33.20 C ATOM 30 O ILE A 55 -14.455 -19.424 -33.778 1.00 32.33 O ATOM 31 CB AILE A 55 -13.716 -16.387 -32.831 0.58 31.13 C ATOM 32 CB BILE A 55 -13.661 -16.456 -32.813 0.42 31.02 C ATOM 33 CG1AILE A 55 -12.478 -15.644 -32.339 0.58 33.99 C ATOM 34 CG1BILE A 55 -12.712 -15.260 -32.737 0.42 35.35 C ATOM 35 CG2AILE A 55 -14.325 -17.169 -31.685 0.58 32.39 C ATOM 36 CG2BILE A 55 -13.589 -17.265 -31.542 0.42 30.25 C ATOM 37 CD1AILE A 55 -11.355 -16.560 -31.984 0.58 25.98 C ATOM 38 CD1BILE A 55 -13.093 -14.264 -31.673 0.42 25.63 C ATOM 39 N ALA A 56 -15.444 -17.890 -35.058 1.00 23.09 N ATOM 40 CA ALA A 56 -16.561 -18.775 -35.394 1.00 22.57 C ATOM 41 C ALA A 56 -17.171 -18.369 -36.729 1.00 23.67 C ATOM 42 O ALA A 56 -17.073 -17.208 -37.125 1.00 23.55 O ATOM 43 CB ALA A 56 -17.610 -18.753 -34.290 1.00 23.11 C ATOM 44 N THR A 57 -17.793 -19.310 -37.433 1.00 20.60 N ATOM 45 CA THR A 57 -18.429 -18.976 -38.707 1.00 22.65 C ATOM 46 C THR A 57 -19.882 -19.417 -38.749 1.00 21.80 C ATOM 47 O THR A 57 -20.269 -20.366 -38.068 1.00 24.44 O ATOM 48 CB THR A 57 -17.706 -19.613 -39.914 1.00 32.99 C ATOM 49 OG1 THR A 57 -17.732 -21.037 -39.789 1.00 29.46 O ATOM 50 CG2 THR A 57 -16.268 -19.137 -40.006 1.00 31.43 C ATOM 51 N LYS A 58 -20.679 -18.709 -39.549 1.00 21.81 N ATOM 52 CA LYS A 58 -22.073 -19.073 -39.772 1.00 18.80 C ATOM 53 C LYS A 58 -22.867 -19.112 -38.473 1.00 22.98 C ATOM 54 O LYS A 58 -23.675 -20.018 -38.239 1.00 25.86 O ATOM 55 CB LYS A 58 -22.166 -20.427 -40.481 1.00 27.43 C ATOM 56 CG LYS A 58 -21.404 -20.479 -41.791 1.00 37.83 C ATOM 57 CD LYS A 58 -21.472 -21.867 -42.414 1.00 45.59 C ATOM 58 CE LYS A 58 -21.313 -21.793 -43.927 1.00 64.71 C ATOM 59 NZ LYS A 58 -21.930 -20.555 -44.489 1.00 68.88 N ATOM 60 N VAL A 59 -22.621 -18.121 -37.631 1.00 17.60 N ATOM 61 CA VAL A 59 -23.334 -17.943 -36.383 1.00 16.52 C ATOM 62 C VAL A 59 -24.659 -17.239 -36.662 1.00 22.02 C ATOM 63 O VAL A 59 -24.688 -16.298 -37.446 1.00 17.59 O ATOM 64 CB VAL A 59 -22.492 -17.090 -35.394 1.00 18.86 C ATOM 65 CG1 VAL A 59 -23.197 -16.898 -34.061 1.00 20.39 C ATOM 66 CG2 VAL A 59 -21.105 -17.718 -35.186 1.00 22.81 C ATOM 67 N LEU A 60 -25.738 -17.682 -36.029 1.00 18.22 N ATOM 68 CA LEU A 60 -27.012 -16.985 -36.155 1.00 18.19 C ATOM 69 C LEU A 60 -27.224 -16.091 -34.948 1.00 17.51 C ATOM 70 O LEU A 60 -26.874 -16.456 -33.822 1.00 19.06 O ATOM 71 CB LEU A 60 -28.171 -17.983 -36.282 1.00 23.11 C ATOM 72 CG LEU A 60 -28.248 -18.794 -37.573 1.00 29.93 C ATOM 73 CD1 LEU A 60 -29.357 -19.839 -37.458 1.00 31.85 C ATOM 74 CD2 LEU A 60 -28.478 -17.892 -38.781 1.00 25.69 C ATOM 75 N GLY A 61 -27.817 -14.921 -35.163 1.00 17.39 N ATOM 76 CA GLY A 61 -28.083 -14.049 -34.046 1.00 15.69 C ATOM 77 C GLY A 61 -29.218 -13.096 -34.333 1.00 15.66 C ATOM 78 O GLY A 61 -29.684 -13.006 -35.464 1.00 16.92 O ATOM 79 N THR A 62 -29.626 -12.376 -33.299 1.00 16.56 N ATOM 80 CA ATHR A 62 -30.695 -11.389 -33.388 0.69 16.96 C ATOM 81 CA BTHR A 62 -30.687 -11.386 -33.430 0.31 17.07 C ATOM 82 C THR A 62 -30.143 -9.994 -33.153 1.00 17.93 C ATOM 83 O THR A 62 -29.444 -9.776 -32.166 1.00 18.28 O ATOM 84 CB ATHR A 62 -31.791 -11.682 -32.362 0.69 20.28 C ATOM 85 CB BTHR A 62 -31.864 -11.676 -32.483 0.31 20.21 C ATOM 86 OG1ATHR A 62 -32.213 -13.045 -32.512 0.69 24.12 O ATOM 87 OG1BTHR A 62 -31.437 -11.544 -31.121 0.31 14.76 O ATOM 88 CG2ATHR A 62 -32.971 -10.740 -32.537 0.69 18.53 C ATOM 89 CG2BTHR A 62 -32.381 -13.086 -32.710 0.31 23.41 C ATOM 90 N VAL A 63 -30.462 -9.056 -34.044 1.00 17.31 N ATOM 91 CA VAL A 63 -29.965 -7.700 -33.881 1.00 17.62 C ATOM 92 C VAL A 63 -30.614 -7.091 -32.648 1.00 16.41 C ATOM 93 O VAL A 63 -31.837 -6.943 -32.585 1.00 17.45 O ATOM 94 CB VAL A 63 -30.247 -6.819 -35.133 1.00 16.25 C ATOM 95 CG1 VAL A 63 -29.782 -5.355 -34.881 1.00 15.81 C ATOM 96 CG2 VAL A 63 -29.553 -7.401 -36.357 1.00 17.75 C ATOM 97 N LYS A 64 -29.788 -6.736 -31.665 1.00 18.08 N ATOM 98 CA LYS A 64 -30.267 -6.078 -30.447 1.00 15.51 C ATOM 99 C LYS A 64 -30.677 -4.651 -30.749 1.00 19.58 C ATOM 100 O LYS A 64 -31.847 -4.252 -30.580 1.00 20.00 O ATOM 101 CB LYS A 64 -29.169 -6.103 -29.382 1.00 21.45 C ATOM 102 CG LYS A 64 -29.575 -5.634 -28.011 1.00 26.00 C ATOM 103 CD LYS A 64 -28.383 -5.711 -27.067 1.00 31.43 C ATOM 104 CE LYS A 64 -28.723 -5.198 -25.685 1.00 38.94 C ATOM 105 NZ LYS A 64 -27.516 -5.169 -24.818 1.00 40.51 N ATOM 106 N TRP A 65 -29.700 -3.872 -31.185 1.00 20.56 N ATOM 107 CA TRP A 65 -29.983 -2.569 -31.760 1.00 22.97 C ATOM 108 C TRP A 65 -28.881 -2.207 -32.729 1.00 19.32 C ATOM 109 O TRP A 65 -27.777 -2.735 -32.661 1.00 18.23 O ATOM 110 CB TRP A 65 -30.133 -1.483 -30.688 1.00 22.10 C ATOM 111 CG TRP A 65 -29.013 -1.351 -29.698 1.00 24.45 C ATOM 112 CD1 TRP A 65 -28.937 -1.934 -28.471 1.00 29.03 C ATOM 113 CD2 TRP A 65 -27.823 -0.553 -29.840 1.00 20.53 C ATOM 114 NE1 TRP A 65 -27.771 -1.566 -27.844 1.00 34.69 N ATOM 115 CE2 TRP A 65 -27.076 -0.714 -28.657 1.00 30.62 C ATOM 116 CE3 TRP A 65 -27.326 0.277 -30.845 1.00 22.83 C ATOM 117 CZ2 TRP A 65 -25.844 -0.077 -28.460 1.00 30.29 C ATOM 118 CZ3 TRP A 65 -26.107 0.916 -30.645 1.00 22.42 C ATOM 119 CH2 TRP A 65 -25.380 0.732 -29.461 1.00 29.70 C ATOM 120 N PHE A 66 -29.198 -1.321 -33.660 1.00 18.83 N ATOM 121 CA PHE A 66 -28.189 -0.823 -34.571 1.00 12.75 C ATOM 122 C PHE A 66 -28.439 0.651 -34.799 1.00 15.29 C ATOM 123 O PHE A 66 -29.520 1.032 -35.228 1.00 17.21 O ATOM 124 CB PHE A 66 -28.209 -1.570 -35.899 1.00 18.32 C ATOM 125 CG PHE A 66 -27.098 -1.162 -36.804 1.00 18.44 C ATOM 126 CD1 PHE A 66 -25.848 -1.724 -36.647 1.00 16.30 C ATOM 127 CD2 PHE A 66 -27.286 -0.186 -37.771 1.00 19.75 C ATOM 128 CE1 PHE A 66 -24.798 -1.354 -37.445 1.00 16.81 C ATOM 129 CE2 PHE A 66 -26.231 0.202 -38.578 1.00 25.35 C ATOM 130 CZ PHE A 66 -24.987 -0.395 -38.407 1.00 23.02 C ATOM 131 N ASN A 67 -27.438 1.472 -34.511 1.00 16.56 N ATOM 132 CA ASN A 67 -27.622 2.916 -34.572 1.00 20.23 C ATOM 133 C ASN A 67 -26.982 3.476 -35.839 1.00 15.93 C ATOM 134 O ASN A 67 -25.763 3.371 -36.011 1.00 19.99 O ATOM 135 CB ASN A 67 -27.038 3.573 -33.316 1.00 19.77 C ATOM 136 CG ASN A 67 -27.298 5.065 -33.264 1.00 22.43 C ATOM 137 OD1 ASN A 67 -26.776 5.808 -34.088 1.00 22.06 O ATOM 138 ND2 ASN A 67 -28.091 5.509 -32.290 1.00 23.11 N ATOM 139 N VAL A 68 -27.796 4.077 -36.718 1.00 16.09 N ATOM 140 CA VAL A 68 -27.295 4.511 -38.026 1.00 15.57 C ATOM 141 C VAL A 68 -26.562 5.839 -37.917 1.00 17.59 C ATOM 142 O VAL A 68 -25.815 6.218 -38.814 1.00 19.63 O ATOM 143 CB VAL A 68 -28.427 4.629 -39.077 1.00 21.00 C ATOM 144 CG1 VAL A 68 -29.020 3.240 -39.386 1.00 20.74 C ATOM 145 CG2 VAL A 68 -29.524 5.578 -38.606 1.00 18.84 C ATOM 146 N ARG A 69 -26.772 6.546 -36.819 1.00 17.18 N ATOM 147 CA ARG A 69 -26.033 7.788 -36.609 1.00 18.25 C ATOM 148 C ARG A 69 -24.582 7.483 -36.255 1.00 26.50 C ATOM 149 O ARG A 69 -23.649 8.076 -36.810 1.00 24.00 O ATOM 150 CB ARG A 69 -26.690 8.631 -35.522 1.00 20.61 C ATOM 151 CG ARG A 69 -25.814 9.756 -35.045 1.00 28.23 C ATOM 152 CD ARG A 69 -26.591 10.735 -34.183 1.00 29.59 C ATOM 153 NE ARG A 69 -25.825 11.971 -34.046 1.00 35.42 N ATOM 154 CZ ARG A 69 -26.313 13.102 -33.552 1.00 38.86 C ATOM 155 NH1 ARG A 69 -27.573 13.157 -33.135 1.00 45.40 N ATOM 156 NH2 ARG A 69 -25.542 14.179 -33.484 1.00 43.50 N ATOM 157 N ASN A 70 -24.381 6.526 -35.357 1.00 18.87 N ATOM 158 CA ASN A 70 -23.033 6.205 -34.906 1.00 26.04 C ATOM 159 C ASN A 70 -22.374 5.087 -35.711 1.00 25.19 C ATOM 160 O ASN A 70 -21.157 4.904 -35.646 1.00 21.58 O ATOM 161 CB ASN A 70 -23.057 5.862 -33.418 1.00 28.45 C ATOM 162 CG ASN A 70 -23.454 7.047 -32.567 1.00 41.51 C ATOM 163 OD1 ASN A 70 -23.088 8.184 -32.867 1.00 55.43 O ATOM 164 ND2 ASN A 70 -24.204 6.794 -31.504 1.00 44.52 N ATOM 165 N GLY A 71 -23.180 4.349 -36.468 1.00 20.71 N ATOM 166 CA GLY A 71 -22.665 3.365 -37.402 1.00 18.81 C ATOM 167 C GLY A 71 -22.293 2.020 -36.787 1.00 21.31 C ATOM 168 O GLY A 71 -21.450 1.304 -37.335 1.00 18.19 O ATOM 169 N TYR A 72 -22.877 1.693 -35.641 1.00 16.53 N ATOM 170 CA TYR A 72 -22.661 0.377 -35.039 1.00 17.91 C ATOM 171 C TYR A 72 -23.848 -0.097 -34.209 1.00 18.44 C ATOM 172 O TYR A 72 -24.800 0.637 -33.962 1.00 18.16 O ATOM 173 CB TYR A 72 -21.382 0.391 -34.180 1.00 20.90 C ATOM 174 CG TYR A 72 -21.538 1.035 -32.822 1.00 20.99 C ATOM 175 CD1 TYR A 72 -21.776 0.272 -31.688 1.00 24.57 C ATOM 176 CD2 TYR A 72 -21.444 2.412 -32.677 1.00 27.10 C ATOM 177 CE1 TYR A 72 -21.915 0.860 -30.446 1.00 29.26 C ATOM 178 CE2 TYR A 72 -21.585 3.008 -31.444 1.00 26.24 C ATOM 179 CZ TYR A 72 -21.825 2.231 -30.333 1.00 36.64 C ATOM 180 OH TYR A 72 -21.967 2.823 -29.100 1.00 41.32 O ATOM 181 N GLY A 73 -23.800 -1.357 -33.797 1.00 16.70 N ATOM 182 CA GLY A 73 -24.763 -1.857 -32.844 1.00 17.48 C ATOM 183 C GLY A 73 -24.266 -3.173 -32.270 1.00 16.53 C ATOM 184 O GLY A 73 -23.062 -3.428 -32.239 1.00 17.63 O ATOM 185 N PHE A 74 -25.196 -3.993 -31.802 1.00 14.87 N ATOM 186 CA PHE A 74 -24.851 -5.314 -31.272 1.00 13.58 C ATOM 187 C PHE A 74 -25.817 -6.357 -31.767 1.00 18.66 C ATOM 188 O PHE A 74 -27.007 -6.098 -31.923 1.00 17.81 O ATOM 189 CB PHE A 74 -24.857 -5.326 -29.750 1.00 16.63 C ATOM 190 CG PHE A 74 -23.764 -4.503 -29.146 1.00 19.08 C ATOM 191 CD1 PHE A 74 -22.546 -5.074 -28.839 1.00 22.76 C ATOM 192 CD2 PHE A 74 -23.954 -3.150 -28.911 1.00 27.86 C ATOM 193 CE1 PHE A 74 -21.531 -4.308 -28.293 1.00 29.12 C ATOM 194 CE2 PHE A 74 -22.946 -2.380 -28.373 1.00 25.54 C ATOM 195 CZ PHE A 74 -21.737 -2.960 -28.063 1.00 27.00 C ATOM 196 N ILE A 75 -25.273 -7.542 -32.002 1.00 17.81 N ATOM 197 CA ILE A 75 -26.054 -8.712 -32.362 1.00 13.00 C ATOM 198 C ILE A 75 -25.949 -9.669 -31.190 1.00 19.54 C ATOM 199 O ILE A 75 -24.845 -9.913 -30.686 1.00 20.85 O ATOM 200 CB ILE A 75 -25.521 -9.378 -33.646 1.00 18.26 C ATOM 201 CG1 ILE A 75 -25.514 -8.383 -34.809 1.00 18.94 C ATOM 202 CG2 ILE A 75 -26.341 -10.635 -33.965 1.00 17.92 C ATOM 203 CD1 ILE A 75 -24.703 -8.845 -35.999 1.00 18.09 C ATOM 204 N ASN A 76 -27.077 -10.188 -30.724 1.00 15.99 N ATOM 205 CA ASN A 76 -27.032 -11.209 -29.691 1.00 19.04 C ATOM 206 C ASN A 76 -26.950 -12.601 -30.319 1.00 18.34 C ATOM 207 O ASN A 76 -27.847 -12.979 -31.066 1.00 17.81 O ATOM 208 CB ASN A 76 -28.256 -11.108 -28.786 1.00 22.40 C ATOM 209 CG ASN A 76 -28.128 -11.983 -27.556 1.00 24.17 C ATOM 210 OD1 ASN A 76 -28.678 -13.082 -27.513 1.00 20.86 O ATOM 211 ND2 ASN A 76 -27.362 -11.514 -26.566 1.00 24.35 N ATOM 212 N ARG A 77 -25.880 -13.354 -30.038 1.00 16.24 N ATOM 213 CA ARG A 77 -25.701 -14.680 -30.614 1.00 16.06 C ATOM 214 C ARG A 77 -26.753 -15.634 -30.099 1.00 19.20 C ATOM 215 O ARG A 77 -27.006 -15.697 -28.902 1.00 17.92 O ATOM 216 CB ARG A 77 -24.313 -15.265 -30.277 1.00 15.90 C ATOM 217 CG ARG A 77 -23.154 -14.527 -30.906 1.00 18.19 C ATOM 218 CD ARG A 77 -21.803 -15.083 -30.380 1.00 16.96 C ATOM 219 NE ARG A 77 -21.670 -16.489 -30.711 1.00 23.46 N ATOM 220 CZ ARG A 77 -20.510 -17.128 -30.733 1.00 26.85 C ATOM 221 NH1 ARG A 77 -19.396 -16.468 -30.442 1.00 30.39 N ATOM 222 NH2 ARG A 77 -20.466 -18.411 -31.050 1.00 23.20 N ATOM 223 N ASN A 78 -27.350 -16.400 -30.998 1.00 18.37 N ATOM 224 CA ASN A 78 -28.378 -17.327 -30.569 1.00 20.27 C ATOM 225 C ASN A 78 -27.798 -18.546 -29.852 1.00 22.92 C ATOM 226 O ASN A 78 -28.501 -19.189 -29.081 1.00 25.82 O ATOM 227 CB ASN A 78 -29.229 -17.758 -31.761 1.00 24.32 C ATOM 228 CG ASN A 78 -30.097 -16.619 -32.296 1.00 27.92 C ATOM 229 OD1 ASN A 78 -30.224 -15.555 -31.665 1.00 24.90 O ATOM 230 ND2 ASN A 78 -30.722 -16.846 -33.450 1.00 25.69 N ATOM 231 N ASP A 79 -26.518 -18.847 -30.074 1.00 18.79 N ATOM 232 CA ASP A 79 -25.921 -20.051 -29.494 1.00 18.99 C ATOM 233 C ASP A 79 -25.362 -19.847 -28.075 1.00 23.05 C ATOM 234 O ASP A 79 -25.404 -20.765 -27.249 1.00 25.12 O ATOM 235 CB ASP A 79 -24.834 -20.619 -30.437 1.00 18.88 C ATOM 236 CG ASP A 79 -23.750 -19.606 -30.807 1.00 21.55 C ATOM 237 OD1 ASP A 79 -23.874 -18.400 -30.497 1.00 22.31 O ATOM 238 OD2 ASP A 79 -22.768 -20.021 -31.455 1.00 28.14 O ATOM 239 N THR A 80 -24.874 -18.644 -27.778 1.00 16.74 N ATOM 240 CA THR A 80 -24.259 -18.363 -26.479 1.00 21.40 C ATOM 241 C THR A 80 -24.968 -17.250 -25.707 1.00 20.91 C ATOM 242 O THR A 80 -24.692 -17.040 -24.525 1.00 19.57 O ATOM 243 CB THR A 80 -22.780 -17.949 -26.629 1.00 22.41 C ATOM 244 OG1 THR A 80 -22.717 -16.704 -27.340 1.00 21.09 O ATOM 245 CG2 THR A 80 -21.970 -19.018 -27.373 1.00 18.30 C ATOM 246 N LYS A 81 -25.842 -16.523 -26.402 1.00 19.76 N ATOM 247 CA LYS A 81 -26.628 -15.426 -25.831 1.00 23.58 C ATOM 248 C LYS A 81 -25.751 -14.237 -25.420 1.00 22.64 C ATOM 249 O LYS A 81 -26.156 -13.403 -24.619 1.00 22.43 O ATOM 250 CB LYS A 81 -27.470 -15.909 -24.641 1.00 27.12 C ATOM 251 CG LYS A 81 -28.359 -17.114 -24.942 1.00 23.12 C ATOM 252 CD LYS A 81 -29.177 -16.950 -26.223 1.00 26.64 C ATOM 253 CE LYS A 81 -30.126 -18.124 -26.447 1.00 35.20 C ATOM 254 NZ LYS A 81 -30.796 -18.088 -27.791 1.00 23.30 N ATOM 255 N GLU A 82 -24.555 -14.162 -25.989 1.00 21.61 N ATOM 256 CA GLU A 82 -23.673 -13.015 -25.766 1.00 21.75 C ATOM 257 C GLU A 82 -23.836 -11.993 -26.878 1.00 21.27 C ATOM 258 O GLU A 82 -24.025 -12.363 -28.039 1.00 18.91 O ATOM 259 CB GLU A 82 -22.208 -13.458 -25.695 1.00 19.21 C ATOM 260 CG GLU A 82 -21.859 -14.301 -24.483 1.00 26.15 C ATOM 261 CD GLU A 82 -21.941 -13.526 -23.190 1.00 36.42 C ATOM 262 OE1 GLU A 82 -21.410 -12.395 -23.142 1.00 37.82 O ATOM 263 OE2 GLU A 82 -22.521 -14.056 -22.219 1.00 43.38 O ATOM 264 N ASP A 83 -23.773 -10.710 -26.519 1.00 22.67 N ATOM 265 CA ASP A 83 -23.743 -9.635 -27.507 1.00 23.11 C ATOM 266 C ASP A 83 -22.420 -9.608 -28.247 1.00 22.27 C ATOM 267 O ASP A 83 -21.344 -9.781 -27.657 1.00 20.94 O ATOM 268 CB ASP A 83 -23.953 -8.260 -26.865 1.00 23.03 C ATOM 269 CG ASP A 83 -25.352 -8.059 -26.326 1.00 29.10 C ATOM 270 OD1 ASP A 83 -26.267 -8.826 -26.688 1.00 21.32 O ATOM 271 OD2 ASP A 83 -25.535 -7.094 -25.555 1.00 32.79 O ATOM 272 N VAL A 84 -22.495 -9.400 -29.548 1.00 17.07 N ATOM 273 CA AVAL A 84 -21.308 -9.195 -30.368 0.69 19.58 C ATOM 274 CA BVAL A 84 -21.287 -9.168 -30.331 0.31 19.62 C ATOM 275 C VAL A 84 -21.383 -7.830 -31.048 1.00 23.63 C ATOM 276 O VAL A 84 -22.388 -7.497 -31.655 1.00 18.00 O ATOM 277 CB AVAL A 84 -21.168 -10.300 -31.430 0.69 22.61 C ATOM 278 CB BVAL A 84 -21.017 -10.292 -31.362 0.31 22.56 C ATOM 279 CG1AVAL A 84 -19.963 -10.057 -32.310 0.69 19.50 C ATOM 280 CG1BVAL A 84 -20.556 -11.569 -30.660 0.31 21.35 C ATOM 281 CG2AVAL A 84 -21.047 -11.658 -30.757 0.69 23.15 C ATOM 282 CG2BVAL A 84 -22.236 -10.550 -32.232 0.31 18.12 C ATOM 283 N PHE A 85 -20.324 -7.045 -30.941 1.00 18.76 N ATOM 284 CA PHE A 85 -20.268 -5.736 -31.597 1.00 18.10 C ATOM 285 C PHE A 85 -20.362 -5.860 -33.112 1.00 16.76 C ATOM 286 O PHE A 85 -19.725 -6.717 -33.707 1.00 21.04 O ATOM 287 CB PHE A 85 -18.963 -5.046 -31.184 1.00 16.91 C ATOM 288 CG PHE A 85 -18.673 -3.760 -31.906 1.00 21.24 C ATOM 289 CD1 PHE A 85 -19.161 -2.553 -31.429 1.00 23.02 C ATOM 290 CD2 PHE A 85 -17.854 -3.754 -33.021 1.00 22.00 C ATOM 291 CE1 PHE A 85 -18.855 -1.379 -32.072 1.00 25.65 C ATOM 292 CE2 PHE A 85 -17.555 -2.577 -33.675 1.00 29.64 C ATOM 293 CZ PHE A 85 -18.052 -1.392 -33.200 1.00 19.56 C ATOM 294 N VAL A 86 -21.134 -4.984 -33.749 1.00 16.60 N ATOM 295 CA VAL A 86 -21.175 -4.992 -35.204 1.00 11.85 C ATOM 296 C VAL A 86 -21.042 -3.566 -35.749 1.00 19.62 C ATOM 297 O VAL A 86 -21.816 -2.685 -35.403 1.00 20.48 O ATOM 298 CB VAL A 86 -22.475 -5.651 -35.746 1.00 20.23 C ATOM 299 CG1 VAL A 86 -23.717 -5.062 -35.098 1.00 16.29 C ATOM 300 CG2 VAL A 86 -22.547 -5.535 -37.262 1.00 20.03 C ATOM 301 N HIS A 87 -20.033 -3.359 -36.583 1.00 17.83 N ATOM 302 CA HIS A 87 -19.826 -2.066 -37.230 1.00 19.96 C ATOM 303 C HIS A 87 -20.478 -2.099 -38.601 1.00 18.99 C ATOM 304 O HIS A 87 -20.649 -3.168 -39.190 1.00 20.98 O ATOM 305 CB HIS A 87 -18.336 -1.742 -37.364 1.00 22.13 C ATOM 306 CG HIS A 87 -18.071 -0.337 -37.827 1.00 29.28 C ATOM 307 ND1 HIS A 87 -17.721 -0.036 -39.126 1.00 27.26 N ATOM 308 CD2 HIS A 87 -18.120 0.835 -37.163 1.00 30.91 C ATOM 309 CE1 HIS A 87 -17.569 1.273 -39.240 1.00 27.49 C ATOM 310 NE2 HIS A 87 -17.796 1.826 -38.062 1.00 30.94 N ATOM 311 N GLN A 88 -20.829 -0.930 -39.127 1.00 18.21 N ATOM 312 CA AGLN A 88 -21.538 -0.878 -40.400 0.63 17.55 C ATOM 313 CA BGLN A 88 -21.502 -0.828 -40.425 0.37 17.68 C ATOM 314 C GLN A 88 -20.715 -1.485 -41.538 1.00 17.89 C ATOM 315 O GLN A 88 -21.276 -2.046 -42.469 1.00 21.08 O ATOM 316 CB AGLN A 88 -21.915 0.569 -40.733 0.63 20.75 C ATOM 317 CB BGLN A 88 -21.750 0.641 -40.798 0.37 20.62 C ATOM 318 CG AGLN A 88 -20.743 1.525 -40.667 0.63 14.29 C ATOM 319 CG BGLN A 88 -23.115 1.110 -40.399 0.37 20.92 C ATOM 320 CD AGLN A 88 -21.179 2.981 -40.669 0.63 16.96 C ATOM 321 CD BGLN A 88 -23.501 2.470 -40.921 0.37 25.83 C ATOM 322 OE1AGLN A 88 -22.368 3.279 -40.750 0.63 21.16 O ATOM 323 OE1BGLN A 88 -22.720 3.416 -40.866 0.37 22.32 O ATOM 324 NE2AGLN A 88 -20.217 3.893 -40.565 0.63 18.44 N ATOM 325 NE2BGLN A 88 -24.737 2.582 -41.405 0.37 15.05 N ATOM 326 N THR A 89 -19.394 -1.380 -41.458 1.00 18.69 N ATOM 327 CA THR A 89 -18.564 -1.867 -42.550 1.00 20.62 C ATOM 328 C THR A 89 -18.526 -3.398 -42.582 1.00 23.90 C ATOM 329 O THR A 89 -18.073 -3.992 -43.556 1.00 24.00 O ATOM 330 CB THR A 89 -17.129 -1.333 -42.453 1.00 23.62 C ATOM 331 OG1 THR A 89 -16.607 -1.592 -41.145 1.00 28.36 O ATOM 332 CG2 THR A 89 -17.114 0.163 -42.695 1.00 26.20 C ATOM 333 N ALA A 90 -19.011 -4.027 -41.519 1.00 19.79 N ATOM 334 CA ALA A 90 -18.982 -5.488 -41.440 1.00 20.23 C ATOM 335 C ALA A 90 -20.229 -6.100 -42.051 1.00 26.04 C ATOM 336 O ALA A 90 -20.328 -7.320 -42.168 1.00 24.28 O ATOM 337 CB ALA A 90 -18.824 -5.945 -39.993 1.00 21.64 C ATOM 338 N ILE A 91 -21.185 -5.255 -42.440 1.00 19.26 N ATOM 339 CA ILE A 91 -22.445 -5.726 -43.005 1.00 15.41 C ATOM 340 C ILE A 91 -22.401 -5.804 -44.520 1.00 24.90 C ATOM 341 O ILE A 91 -22.022 -4.833 -45.175 1.00 26.67 O ATOM 342 CB ILE A 91 -23.606 -4.794 -42.590 1.00 19.39 C ATOM 343 CG1 ILE A 91 -23.677 -4.701 -41.060 1.00 18.01 C ATOM 344 CG2 ILE A 91 -24.921 -5.265 -43.208 1.00 24.98 C ATOM 345 CD1 ILE A 91 -24.500 -3.505 -40.535 1.00 19.46 C ATOM 346 N LYS A 92 -22.789 -6.944 -45.085 1.00 19.44 N ATOM 347 CA LYS A 92 -22.784 -7.084 -46.535 1.00 24.65 C ATOM 348 C LYS A 92 -23.919 -6.265 -47.128 1.00 33.84 C ATOM 349 O LYS A 92 -24.919 -6.020 -46.460 1.00 40.92 O ATOM 350 CB LYS A 92 -22.906 -8.549 -46.954 1.00 29.98 C ATOM 351 CG LYS A 92 -21.724 -9.407 -46.547 1.00 35.86 C ATOM 352 CD LYS A 92 -21.522 -10.588 -47.498 1.00 50.85 C ATOM 353 CE LYS A 92 -20.665 -11.683 -46.858 1.00 52.32 C ATOM 354 NZ LYS A 92 -20.870 -13.020 -47.506 1.00 47.37 N ATOM 355 N LYS A 93 -23.761 -5.841 -48.378 1.00 40.84 N ATOM 356 CA LYS A 93 -24.792 -5.040 -49.037 1.00 50.11 C ATOM 357 C LYS A 93 -26.121 -5.788 -49.047 1.00 47.54 C ATOM 358 O LYS A 93 -26.375 -6.611 -49.924 1.00 54.33 O ATOM 359 CB LYS A 93 -24.398 -4.680 -50.473 1.00 60.51 C ATOM 360 CG LYS A 93 -22.984 -4.155 -50.651 1.00 62.84 C ATOM 361 CD LYS A 93 -22.758 -3.737 -52.099 1.00 71.68 C ATOM 362 CE LYS A 93 -21.300 -3.429 -52.390 1.00 64.67 C ATOM 363 NZ LYS A 93 -20.429 -4.615 -52.181 1.00 64.76 N ATOM 364 N LYS A 98 -30.482 3.861 -49.594 1.00 52.64 N ATOM 365 CA LYS A 98 -29.688 4.831 -48.838 1.00 48.58 C ATOM 366 C LYS A 98 -28.746 4.175 -47.821 1.00 50.51 C ATOM 367 O LYS A 98 -27.534 4.165 -48.023 1.00 37.59 O ATOM 368 CB LYS A 98 -30.600 5.825 -48.119 1.00 50.39 C ATOM 369 CG LYS A 98 -30.869 7.107 -48.890 1.00 50.90 C ATOM 370 CD LYS A 98 -30.089 8.254 -48.265 1.00 50.82 C ATOM 371 CE LYS A 98 -30.287 8.292 -46.751 1.00 50.65 C ATOM 372 NZ LYS A 98 -29.861 9.590 -46.164 1.00 48.21 N ATOM 373 N TYR A 99 -29.307 3.644 -46.732 1.00 49.68 N ATOM 374 CA TYR A 99 -28.517 3.029 -45.660 1.00 30.14 C ATOM 375 C TYR A 99 -28.028 1.646 -46.044 1.00 46.32 C ATOM 376 O TYR A 99 -28.331 0.643 -45.371 1.00 31.48 O ATOM 377 CB TYR A 99 -29.319 2.943 -44.362 1.00 40.09 C ATOM 378 CG TYR A 99 -29.652 4.283 -43.757 1.00 48.50 C ATOM 379 CD1 TYR A 99 -30.970 4.691 -43.614 1.00 44.79 C ATOM 380 CD2 TYR A 99 -28.644 5.143 -43.322 1.00 47.39 C ATOM 381 CE1 TYR A 99 -31.281 5.920 -43.061 1.00 41.40 C ATOM 382 CE2 TYR A 99 -28.947 6.377 -42.764 1.00 36.34 C ATOM 383 CZ TYR A 99 -30.269 6.755 -42.635 1.00 43.26 C ATOM 384 OH TYR A 99 -30.586 7.974 -42.084 1.00 39.47 O ATOM 385 N LEU A 100 -27.272 1.592 -47.135 1.00 40.83 N ATOM 386 CA LEU A 100 -26.469 0.419 -47.432 1.00 43.02 C ATOM 387 C LEU A 100 -25.730 0.054 -46.154 1.00 43.82 C ATOM 388 O LEU A 100 -25.452 0.921 -45.334 1.00 57.48 O ATOM 389 CB LEU A 100 -25.500 0.696 -48.583 1.00 47.00 C ATOM 390 CG LEU A 100 -25.469 -0.291 -49.747 1.00 54.42 C ATOM 391 CD1 LEU A 100 -26.808 -0.353 -50.467 1.00 49.12 C ATOM 392 CD2 LEU A 100 -24.366 0.121 -50.702 1.00 52.34 C ATOM 393 N ARG A 101 -25.462 -1.224 -45.953 1.00 58.37 N ATOM 394 CA ARG A 101 -24.788 -1.645 -44.735 1.00 46.93 C ATOM 395 C ARG A 101 -25.486 -1.083 -43.492 1.00 37.93 C ATOM 396 O ARG A 101 -25.002 -0.179 -42.813 1.00 31.20 O ATOM 397 CB ARG A 101 -23.324 -1.231 -44.788 1.00 29.05 C ATOM 398 CG ARG A 101 -22.641 -1.715 -46.056 1.00 30.22 C ATOM 399 CD ARG A 101 -21.154 -1.508 -46.006 1.00 21.87 C ATOM 400 NE ARG A 101 -20.540 -1.662 -47.319 1.00 34.60 N ATOM 401 CZ ARG A 101 -20.147 -2.824 -47.824 1.00 53.65 C ATOM 402 NH1 ARG A 101 -20.296 -3.932 -47.111 1.00 36.86 N ATOM 403 NH2 ARG A 101 -19.593 -2.878 -49.030 1.00 48.47 N ATOM 404 N SER A 102 -26.667 -1.607 -43.236 1.00 21.84 N ATOM 405 CA SER A 102 -27.297 -1.469 -41.943 1.00 19.64 C ATOM 406 C SER A 102 -28.035 -2.770 -41.689 1.00 21.02 C ATOM 407 O SER A 102 -28.244 -3.547 -42.614 1.00 22.36 O ATOM 408 CB SER A 102 -28.267 -0.288 -41.903 1.00 25.28 C ATOM 409 OG SER A 102 -29.353 -0.504 -42.790 1.00 28.16 O ATOM 410 N VAL A 103 -28.387 -3.006 -40.434 1.00 18.22 N ATOM 411 CA VAL A 103 -29.314 -4.073 -40.079 1.00 21.44 C ATOM 412 C VAL A 103 -30.426 -3.480 -39.223 1.00 21.39 C ATOM 413 O VAL A 103 -30.282 -2.377 -38.667 1.00 18.95 O ATOM 414 CB VAL A 103 -28.613 -5.228 -39.333 1.00 20.95 C ATOM 415 CG1 VAL A 103 -27.770 -6.045 -40.301 1.00 18.00 C ATOM 416 CG2 VAL A 103 -27.772 -4.699 -38.179 1.00 20.21 C ATOM 417 N GLY A 104 -31.552 -4.180 -39.126 1.00 17.45 N ATOM 418 CA GLY A 104 -32.678 -3.632 -38.386 1.00 14.84 C ATOM 419 C GLY A 104 -32.862 -4.323 -37.047 1.00 19.92 C ATOM 420 O GLY A 104 -32.649 -5.531 -36.944 1.00 15.18 O ATOM 421 N ASP A 105 -33.252 -3.568 -36.026 1.00 17.71 N ATOM 422 CA ASP A 105 -33.503 -4.126 -34.701 1.00 18.36 C ATOM 423 C ASP A 105 -34.499 -5.276 -34.782 1.00 18.85 C ATOM 424 O ASP A 105 -35.564 -5.123 -35.367 1.00 17.42 O ATOM 425 CB ASP A 105 -34.065 -3.063 -33.753 1.00 16.81 C ATOM 426 CG ASP A 105 -33.141 -1.885 -33.556 1.00 25.14 C ATOM 427 OD1 ASP A 105 -32.122 -1.751 -34.268 1.00 18.66 O ATOM 428 OD2 ASP A 105 -33.471 -1.077 -32.673 1.00 21.27 O ATOM 429 N GLY A 106 -34.151 -6.424 -34.200 1.00 17.74 N ATOM 430 CA GLY A 106 -35.062 -7.557 -34.144 1.00 17.02 C ATOM 431 C GLY A 106 -34.858 -8.563 -35.260 1.00 20.77 C ATOM 432 O GLY A 106 -35.360 -9.686 -35.211 1.00 19.02 O ATOM 433 N GLU A 107 -34.106 -8.155 -36.274 1.00 18.75 N ATOM 434 CA GLU A 107 -33.804 -8.998 -37.427 1.00 19.30 C ATOM 435 C GLU A 107 -32.893 -10.182 -37.050 1.00 18.76 C ATOM 436 O GLU A 107 -32.037 -10.053 -36.179 1.00 15.86 O ATOM 437 CB GLU A 107 -33.140 -8.117 -38.502 1.00 27.45 C ATOM 438 CG GLU A 107 -32.978 -8.739 -39.851 1.00 30.00 C ATOM 439 CD GLU A 107 -32.300 -7.825 -40.856 1.00 26.31 C ATOM 440 OE1 GLU A 107 -31.858 -6.696 -40.501 1.00 27.66 O ATOM 441 OE2 GLU A 107 -32.228 -8.232 -42.026 1.00 33.15 O ATOM 442 N THR A 108 -33.079 -11.329 -37.697 1.00 16.48 N ATOM 443 CA THR A 108 -32.144 -12.455 -37.545 1.00 13.70 C ATOM 444 C THR A 108 -31.084 -12.396 -38.632 1.00 17.21 C ATOM 445 O THR A 108 -31.400 -12.236 -39.813 1.00 17.93 O ATOM 446 CB THR A 108 -32.883 -13.821 -37.612 1.00 18.71 C ATOM 447 OG1 THR A 108 -33.724 -13.955 -36.459 1.00 20.73 O ATOM 448 CG2 THR A 108 -31.872 -14.980 -37.641 1.00 17.81 C ATOM 449 N VAL A 109 -29.812 -12.477 -38.238 1.00 17.01 N ATOM 450 CA VAL A 109 -28.740 -12.415 -39.206 1.00 17.71 C ATOM 451 C VAL A 109 -27.770 -13.569 -39.002 1.00 19.16 C ATOM 452 O VAL A 109 -27.755 -14.204 -37.943 1.00 17.90 O ATOM 453 CB VAL A 109 -27.969 -11.079 -39.117 1.00 17.93 C ATOM 454 CG1 VAL A 109 -28.899 -9.913 -39.501 1.00 21.63 C ATOM 455 CG2 VAL A 109 -27.415 -10.893 -37.723 1.00 19.35 C ATOM 456 N GLU A 110 -26.988 -13.835 -40.040 1.00 17.34 N ATOM 457 CA GLU A 110 -25.923 -14.832 -39.998 1.00 19.27 C ATOM 458 C GLU A 110 -24.590 -14.126 -40.196 1.00 18.45 C ATOM 459 O GLU A 110 -24.481 -13.207 -41.007 1.00 19.70 O ATOM 460 CB GLU A 110 -26.151 -15.905 -41.067 1.00 21.48 C ATOM 461 CG GLU A 110 -25.174 -17.066 -40.983 1.00 19.40 C ATOM 462 CD GLU A 110 -25.564 -18.215 -41.895 1.00 38.28 C ATOM 463 OE1 GLU A 110 -26.780 -18.474 -42.042 1.00 38.00 O ATOM 464 OE2 GLU A 110 -24.657 -18.861 -42.457 1.00 40.34 O ATOM 465 N PHE A 111 -23.566 -14.541 -39.460 1.00 18.34 N ATOM 466 CA PHE A 111 -22.321 -13.787 -39.483 1.00 16.81 C ATOM 467 C PHE A 111 -21.166 -14.624 -38.976 1.00 18.66 C ATOM 468 O PHE A 111 -21.370 -15.686 -38.386 1.00 19.05 O ATOM 469 CB PHE A 111 -22.463 -12.508 -38.643 1.00 16.69 C ATOM 470 CG PHE A 111 -22.892 -12.759 -37.216 1.00 14.55 C ATOM 471 CD1 PHE A 111 -21.966 -12.744 -36.191 1.00 23.91 C ATOM 472 CD2 PHE A 111 -24.218 -13.019 -36.902 1.00 19.30 C ATOM 473 CE1 PHE A 111 -22.348 -12.984 -34.879 1.00 26.97 C ATOM 474 CE2 PHE A 111 -24.605 -13.262 -35.594 1.00 17.27 C ATOM 475 CZ PHE A 111 -23.661 -13.242 -34.581 1.00 20.30 C ATOM 476 N ASP A 112 -19.954 -14.144 -39.224 1.00 17.37 N ATOM 477 CA ASP A 112 -18.775 -14.734 -38.614 1.00 21.57 C ATOM 478 C ASP A 112 -18.389 -13.899 -37.400 1.00 21.42 C ATOM 479 O ASP A 112 -18.696 -12.715 -37.332 1.00 22.62 O ATOM 480 CB ASP A 112 -17.618 -14.816 -39.612 1.00 24.31 C ATOM 481 CG ASP A 112 -17.993 -15.549 -40.890 1.00 26.70 C ATOM 482 OD1 ASP A 112 -18.835 -16.469 -40.841 1.00 26.51 O ATOM 483 OD2 ASP A 112 -17.439 -15.210 -41.953 1.00 28.77 O ATOM 484 N VAL A 113 -17.726 -14.519 -36.433 1.00 18.34 N ATOM 485 CA VAL A 113 -17.201 -13.776 -35.297 1.00 17.51 C ATOM 486 C VAL A 113 -15.680 -13.731 -35.405 1.00 19.07 C ATOM 487 O VAL A 113 -15.048 -14.766 -35.565 1.00 22.80 O ATOM 488 CB VAL A 113 -17.613 -14.408 -33.954 1.00 20.87 C ATOM 489 CG1 VAL A 113 -16.966 -13.660 -32.793 1.00 22.88 C ATOM 490 CG2 VAL A 113 -19.136 -14.422 -33.814 1.00 19.80 C ATOM 491 N VAL A 114 -15.106 -12.532 -35.348 1.00 17.96 N ATOM 492 CA VAL A 114 -13.654 -12.379 -35.368 1.00 21.61 C ATOM 493 C VAL A 114 -13.150 -11.607 -34.145 1.00 25.79 C ATOM 494 O VAL A 114 -13.918 -10.934 -33.457 1.00 25.33 O ATOM 495 CB VAL A 114 -13.179 -11.667 -36.645 1.00 25.21 C ATOM 496 CG1 VAL A 114 -13.614 -12.444 -37.871 1.00 26.45 C ATOM 497 CG2 VAL A 114 -13.731 -10.255 -36.695 1.00 30.99 C ATOM 498 N GLU A 115 -11.855 -11.733 -33.859 1.00 34.35 N ATOM 499 CA GLU A 115 -11.245 -11.023 -32.739 1.00 36.99 C ATOM 500 C GLU A 115 -10.683 -9.673 -33.177 1.00 54.58 C ATOM 501 O GLU A 115 -9.614 -9.599 -33.786 1.00 55.72 O ATOM 502 CB GLU A 115 -10.133 -11.856 -32.104 1.00 46.73 C ATOM 503 CG GLU A 115 -9.633 -11.310 -30.771 1.00 46.75 C ATOM 504 CD GLU A 115 -10.667 -11.404 -29.653 1.00 56.43 C ATOM 505 OE1 GLU A 115 -11.696 -12.091 -29.830 1.00 54.58 O ATOM 506 OE2 GLU A 115 -10.441 -10.793 -28.584 1.00 66.00 O ATOM 507 N GLY A 116 -11.413 -8.609 -32.862 1.00 59.85 N ATOM 508 CA GLY A 116 -10.987 -7.270 -33.210 1.00 60.72 C ATOM 509 C GLY A 116 -9.985 -6.739 -32.212 1.00 70.50 C ATOM 510 O GLY A 116 -9.546 -7.467 -31.314 1.00 62.10 O ATOM 511 N GLU A 117 -9.618 -5.472 -32.384 1.00 72.61 N ATOM 512 CA GLU A 117 -8.719 -4.788 -31.464 1.00 79.04 C ATOM 513 C GLU A 117 -9.276 -4.868 -30.048 1.00 66.87 C ATOM 514 O GLU A 117 -8.553 -5.112 -29.080 1.00 68.75 O ATOM 515 CB GLU A 117 -8.539 -3.319 -31.880 1.00 89.96 C ATOM 516 CG GLU A 117 -7.104 -2.772 -31.797 1.00101.62 C ATOM 517 CD GLU A 117 -6.205 -3.228 -32.938 1.00107.34 C ATOM 518 OE1 GLU A 117 -6.592 -4.148 -33.691 1.00107.41 O ATOM 519 OE2 GLU A 117 -5.102 -2.656 -33.079 1.00102.05 O ATOM 520 N LYS A 118 -10.587 -4.691 -29.953 1.00 56.25 N ATOM 521 CA LYS A 118 -11.253 -4.466 -28.679 1.00 43.02 C ATOM 522 C LYS A 118 -12.127 -5.645 -28.261 1.00 50.26 C ATOM 523 O LYS A 118 -12.987 -5.519 -27.389 1.00 47.56 O ATOM 524 CB LYS A 118 -12.083 -3.182 -28.772 1.00 53.10 C ATOM 525 CG LYS A 118 -11.385 -2.108 -29.602 1.00 58.42 C ATOM 526 CD LYS A 118 -12.142 -0.792 -29.625 1.00 56.10 C ATOM 527 CE LYS A 118 -11.743 0.031 -30.838 1.00 58.49 C ATOM 528 NZ LYS A 118 -12.163 1.454 -30.724 1.00 60.83 N ATOM 529 N GLY A 119 -11.901 -6.797 -28.880 1.00 48.34 N ATOM 530 CA GLY A 119 -12.650 -7.987 -28.528 1.00 57.97 C ATOM 531 C GLY A 119 -13.366 -8.608 -29.710 1.00 36.07 C ATOM 532 O GLY A 119 -12.938 -8.462 -30.853 1.00 40.09 O ATOM 533 N ALA A 120 -14.461 -9.303 -29.424 1.00 45.52 N ATOM 534 CA ALA A 120 -15.179 -10.059 -30.442 1.00 38.12 C ATOM 535 C ALA A 120 -16.085 -9.151 -31.255 1.00 31.56 C ATOM 536 O ALA A 120 -16.837 -8.346 -30.699 1.00 36.99 O ATOM 537 CB ALA A 120 -15.989 -11.167 -29.802 1.00 30.93 C ATOM 538 N GLU A 121 -16.021 -9.284 -32.572 1.00 22.00 N ATOM 539 CA GLU A 121 -16.915 -8.504 -33.416 1.00 24.28 C ATOM 540 C GLU A 121 -17.456 -9.325 -34.570 1.00 27.46 C ATOM 541 O GLU A 121 -16.901 -10.353 -34.941 1.00 21.42 O ATOM 542 CB GLU A 121 -16.205 -7.260 -33.935 1.00 23.68 C ATOM 543 CG GLU A 121 -15.076 -7.527 -34.880 1.00 32.17 C ATOM 544 CD GLU A 121 -14.175 -6.314 -35.057 1.00 44.74 C ATOM 545 OE1 GLU A 121 -13.623 -6.134 -36.162 1.00 47.46 O ATOM 546 OE2 GLU A 121 -14.015 -5.545 -34.087 1.00 51.72 O ATOM 547 N ALA A 122 -18.565 -8.865 -35.125 1.00 23.42 N ATOM 548 CA ALA A 122 -19.195 -9.554 -36.236 1.00 19.24 C ATOM 549 C ALA A 122 -18.502 -9.213 -37.553 1.00 22.08 C ATOM 550 O ALA A 122 -17.993 -8.108 -37.742 1.00 23.75 O ATOM 551 CB ALA A 122 -20.685 -9.183 -36.302 1.00 16.68 C ATOM 552 N ALA A 123 -18.481 -10.179 -38.457 1.00 17.70 N ATOM 553 CA ALA A 123 -17.953 -9.979 -39.792 1.00 18.18 C ATOM 554 C ALA A 123 -18.892 -10.643 -40.778 1.00 18.63 C ATOM 555 O ALA A 123 -19.579 -11.605 -40.424 1.00 22.54 O ATOM 556 CB ALA A 123 -16.546 -10.564 -39.920 1.00 22.73 C ATOM 557 N ASN A 124 -18.914 -10.137 -42.008 1.00 19.01 N ATOM 558 CA ASN A 124 -19.696 -10.739 -43.088 1.00 19.02 C ATOM 559 C ASN A 124 -21.137 -10.982 -42.684 1.00 22.77 C ATOM 560 O ASN A 124 -21.661 -12.083 -42.819 1.00 20.90 O ATOM 561 CB ASN A 124 -19.050 -12.047 -43.549 1.00 25.10 C ATOM 562 CG ASN A 124 -17.598 -11.866 -43.947 1.00 40.39 C ATOM 563 OD1 ASN A 124 -17.262 -10.964 -44.721 1.00 36.99 O ATOM 564 ND2 ASN A 124 -16.724 -12.728 -43.420 1.00 40.77 N ATOM 565 N VAL A 125 -21.778 -9.933 -42.186 1.00 18.01 N ATOM 566 CA VAL A 125 -23.151 -10.042 -41.709 1.00 18.34 C ATOM 567 C VAL A 125 -24.132 -10.059 -42.878 1.00 22.35 C ATOM 568 O VAL A 125 -24.172 -9.120 -43.673 1.00 22.02 O ATOM 569 CB VAL A 125 -23.500 -8.871 -40.764 1.00 16.05 C ATOM 570 CG1 VAL A 125 -24.924 -9.030 -40.215 1.00 15.23 C ATOM 571 CG2 VAL A 125 -22.470 -8.779 -39.630 1.00 18.12 C ATOM 572 N THR A 126 -24.915 -11.134 -42.978 1.00 19.06 N ATOM 573 CA ATHR A 126 -25.897 -11.317 -44.047 0.62 21.79 C ATOM 574 CA BTHR A 126 -25.913 -11.254 -44.036 0.21 21.88 C ATOM 575 CA CTHR A 126 -25.906 -11.262 -44.039 0.17 21.94 C ATOM 576 C THR A 126 -27.210 -11.830 -43.481 1.00 20.17 C ATOM 577 O THR A 126 -27.336 -12.040 -42.271 1.00 20.17 O ATOM 578 CB ATHR A 126 -25.431 -12.330 -45.102 0.62 23.84 C ATOM 579 CB BTHR A 126 -25.417 -12.144 -45.193 0.21 23.63 C ATOM 580 CB CTHR A 126 -25.389 -12.161 -45.184 0.17 23.64 C ATOM 581 OG1ATHR A 126 -25.365 -13.627 -44.501 0.62 20.68 O ATOM 582 OG1BTHR A 126 -23.992 -12.285 -45.119 0.21 22.44 O ATOM 583 OG1CTHR A 126 -26.364 -12.236 -46.229 0.17 22.36 O ATOM 584 CG2ATHR A 126 -24.067 -11.974 -45.635 0.62 20.95 C ATOM 585 CG2BTHR A 126 -25.798 -11.540 -46.538 0.21 24.98 C ATOM 586 CG2CTHR A 126 -25.096 -13.557 -44.674 0.17 21.45 C ATOM 587 N GLY A 127 -28.178 -12.064 -44.363 1.00 19.76 N ATOM 588 CA GLY A 127 -29.425 -12.694 -43.960 1.00 18.67 C ATOM 589 C GLY A 127 -29.102 -14.161 -43.731 1.00 22.62 C ATOM 590 O GLY A 127 -28.054 -14.636 -44.169 1.00 24.78 O ATOM 591 N PRO A 128 -29.976 -14.879 -43.020 1.00 23.86 N ATOM 592 CA PRO A 128 -29.754 -16.308 -42.761 1.00 25.14 C ATOM 593 C PRO A 128 -29.624 -17.088 -44.062 1.00 29.30 C ATOM 594 O PRO A 128 -30.375 -16.835 -45.004 1.00 32.49 O ATOM 595 CB PRO A 128 -31.007 -16.734 -42.001 1.00 26.81 C ATOM 596 CG PRO A 128 -31.527 -15.482 -41.394 1.00 30.02 C ATOM 597 CD PRO A 128 -31.166 -14.361 -42.328 1.00 22.21 C ATOM 598 N GLY A 129 -28.667 -18.008 -44.118 1.00 36.96 N ATOM 599 CA GLY A 129 -28.403 -18.754 -45.337 1.00 52.43 C ATOM 600 C GLY A 129 -27.565 -17.981 -46.342 1.00 47.57 C ATOM 601 O GLY A 129 -27.186 -16.830 -46.105 1.00 47.02 O TER 602 GLY A 129 ATOM 603 P C B 2 -17.008 6.383 -34.147 1.00 98.69 P ATOM 604 OP1 C B 2 -18.024 6.773 -33.134 1.00 84.10 O ATOM 605 OP2 C B 2 -15.562 6.565 -33.846 1.00 69.87 O ATOM 606 O5' C B 2 -17.257 4.856 -34.539 1.00 50.81 O ATOM 607 C5' C B 2 -18.228 4.072 -33.850 1.00 47.66 C ATOM 608 C4' C B 2 -17.620 2.820 -33.264 1.00 34.08 C ATOM 609 O4' C B 2 -17.208 1.936 -34.340 1.00 34.99 O ATOM 610 C3' C B 2 -16.380 3.046 -32.407 1.00 50.01 C ATOM 611 O3' C B 2 -16.340 2.061 -31.383 1.00 43.91 O ATOM 612 C2' C B 2 -15.241 2.788 -33.384 1.00 45.84 C ATOM 613 O2' C B 2 -14.030 2.407 -32.770 1.00 48.10 O ATOM 614 C1' C B 2 -15.821 1.665 -34.236 1.00 37.16 C ATOM 615 N1 C B 2 -15.271 1.602 -35.599 1.00 42.00 N ATOM 616 C2 C B 2 -14.891 0.364 -36.136 1.00 42.55 C ATOM 617 O2 C B 2 -15.024 -0.659 -35.444 1.00 41.69 O ATOM 618 N3 C B 2 -14.395 0.314 -37.400 1.00 46.36 N ATOM 619 C4 C B 2 -14.272 1.441 -38.114 1.00 46.64 C ATOM 620 N4 C B 2 -13.777 1.344 -39.352 1.00 48.87 N ATOM 621 C5 C B 2 -14.647 2.714 -37.588 1.00 45.72 C ATOM 622 C6 C B 2 -15.139 2.746 -36.340 1.00 50.91 C ATOM 623 P U B 3 -15.935 2.484 -29.895 1.00 50.53 P ATOM 624 OP1 U B 3 -16.316 3.907 -29.707 1.00 50.67 O ATOM 625 OP2 U B 3 -14.538 2.026 -29.670 1.00 46.60 O ATOM 626 O5' U B 3 -16.878 1.598 -28.975 1.00 45.42 O ATOM 627 C5' U B 3 -18.291 1.771 -28.961 1.00 36.53 C ATOM 628 C4' U B 3 -18.939 0.739 -28.074 1.00 42.06 C ATOM 629 O4' U B 3 -18.759 -0.576 -28.673 1.00 35.84 O ATOM 630 C3' U B 3 -18.339 0.643 -26.674 1.00 44.28 C ATOM 631 O3' U B 3 -19.354 0.221 -25.765 1.00 48.00 O ATOM 632 C2' U B 3 -17.309 -0.470 -26.836 1.00 43.07 C ATOM 633 O2' U B 3 -16.931 -1.098 -25.631 1.00 43.21 O ATOM 634 C1' U B 3 -18.052 -1.414 -27.778 1.00 29.75 C ATOM 635 N1 U B 3 -17.202 -2.312 -28.573 1.00 31.60 N ATOM 636 C2 U B 3 -17.248 -3.651 -28.250 1.00 35.18 C ATOM 637 O2 U B 3 -17.929 -4.094 -27.344 1.00 41.61 O ATOM 638 N3 U B 3 -16.462 -4.456 -29.020 1.00 34.63 N ATOM 639 C4 U B 3 -15.646 -4.086 -30.067 1.00 41.28 C ATOM 640 O4 U B 3 -15.002 -4.959 -30.658 1.00 40.23 O ATOM 641 C5 U B 3 -15.652 -2.683 -30.350 1.00 35.19 C ATOM 642 C6 U B 3 -16.413 -1.865 -29.609 1.00 34.24 C ATOM 643 P U B 4 -19.791 1.171 -24.546 1.00 54.92 P ATOM 644 OP1 U B 4 -19.368 2.555 -24.873 1.00 45.42 O ATOM 645 OP2 U B 4 -19.347 0.525 -23.285 1.00 59.51 O ATOM 646 O5' U B 4 -21.380 1.107 -24.544 1.00 44.24 O ATOM 647 C5' U B 4 -22.145 1.711 -25.580 1.00 45.53 C ATOM 648 C4' U B 4 -23.560 1.191 -25.578 1.00 37.09 C ATOM 649 O4' U B 4 -23.562 -0.191 -26.038 1.00 34.96 O ATOM 650 C3' U B 4 -24.243 1.186 -24.210 1.00 38.78 C ATOM 651 O3' U B 4 -25.626 1.501 -24.368 1.00 50.94 O ATOM 652 C2' U B 4 -24.083 -0.267 -23.757 1.00 43.35 C ATOM 653 O2' U B 4 -25.032 -0.710 -22.811 1.00 38.39 O ATOM 654 C1' U B 4 -24.210 -1.011 -25.081 1.00 34.84 C ATOM 655 N1 U B 4 -23.577 -2.340 -25.088 1.00 30.81 N ATOM 656 C2 U B 4 -24.353 -3.424 -25.459 1.00 36.48 C ATOM 657 O2 U B 4 -25.530 -3.329 -25.784 1.00 35.00 O ATOM 658 N3 U B 4 -23.697 -4.634 -25.444 1.00 33.01 N ATOM 659 C4 U B 4 -22.379 -4.867 -25.097 1.00 38.28 C ATOM 660 O4 U B 4 -21.935 -6.023 -25.136 1.00 31.45 O ATOM 661 C5 U B 4 -21.648 -3.693 -24.726 1.00 38.64 C ATOM 662 C6 U B 4 -22.257 -2.500 -24.733 1.00 34.12 C ATOM 663 P C B 5 -26.238 2.814 -23.668 1.00 54.58 P ATOM 664 OP1 C B 5 -25.226 3.356 -22.723 1.00 55.74 O ATOM 665 OP2 C B 5 -27.608 2.486 -23.205 1.00 50.61 O ATOM 666 O5' C B 5 -26.384 3.865 -24.855 1.00 50.94 O ATOM 667 C5' C B 5 -25.277 4.647 -25.287 1.00 51.36 C ATOM 668 C4' C B 5 -25.475 5.128 -26.703 1.00 57.75 C ATOM 669 O4' C B 5 -25.588 3.978 -27.586 1.00 56.00 O ATOM 670 C3' C B 5 -26.751 5.921 -26.959 1.00 61.42 C ATOM 671 O3' C B 5 -26.633 7.294 -26.619 1.00 65.32 O ATOM 672 C2' C B 5 -27.006 5.672 -28.439 1.00 40.88 C ATOM 673 O2' C B 5 -26.124 6.453 -29.232 1.00 46.30 O ATOM 674 C1' C B 5 -26.578 4.213 -28.566 1.00 50.40 C ATOM 675 N1 C B 5 -27.697 3.279 -28.308 1.00 36.61 N ATOM 676 C2 C B 5 -28.775 3.174 -29.190 1.00 35.65 C ATOM 677 O2 C B 5 -28.827 3.869 -30.213 1.00 45.30 O ATOM 678 N3 C B 5 -29.766 2.307 -28.898 1.00 33.86 N ATOM 679 C4 C B 5 -29.704 1.561 -27.795 1.00 33.88 C ATOM 680 N4 C B 5 -30.706 0.720 -27.556 1.00 37.52 N ATOM 681 C5 C B 5 -28.621 1.641 -26.885 1.00 35.65 C ATOM 682 C6 C B 5 -27.652 2.502 -27.184 1.00 35.68 C TER 683 C B 5 HETATM 684 S SO4 A 200 -18.103 -7.002 -48.521 0.00 52.28 S HETATM 685 O1 SO4 A 200 -17.146 -7.453 -49.528 0.00 54.71 O HETATM 686 O2 SO4 A 200 -18.408 -5.590 -48.722 0.00 53.33 O HETATM 687 O3 SO4 A 200 -17.523 -7.175 -47.193 0.00 49.65 O HETATM 688 O4 SO4 A 200 -19.336 -7.776 -48.640 0.00 49.43 O HETATM 689 O HOH A 301 -30.637 -6.876 -43.177 1.00 44.19 O HETATM 690 O HOH A 302 -25.449 3.248 -43.726 1.00 40.25 O HETATM 691 O HOH A 303 -23.658 5.772 -40.477 1.00 31.60 O HETATM 692 O HOH A 304 -33.349 -15.846 -34.738 1.00 36.47 O HETATM 693 O HOH A 305 -28.378 2.416 -50.057 1.00 47.64 O HETATM 694 O HOH A 306 -32.070 -10.856 -42.080 1.00 24.46 O HETATM 695 O HOH A 307 -35.811 -12.239 -35.860 1.00 19.52 O HETATM 696 O HOH A 308 -30.343 -14.151 -29.394 1.00 30.52 O HETATM 697 O HOH A 309 -20.157 -16.010 -26.966 1.00 26.51 O HETATM 698 O HOH A 310 -31.039 0.165 -39.363 1.00 25.64 O HETATM 699 O HOH A 311 -18.381 -7.474 -28.606 1.00 35.79 O HETATM 700 O HOH A 312 -30.581 11.840 -47.579 1.00 37.00 O HETATM 701 O HOH A 313 -32.785 -19.753 -26.866 1.00 33.52 O HETATM 702 O HOH A 314 -31.830 0.831 -36.738 1.00 18.78 O HETATM 703 O HOH A 315 -21.277 -14.352 -19.696 1.00 50.16 O HETATM 704 O HOH A 316 -23.859 -10.061 -23.760 1.00 34.23 O HETATM 705 O HOH A 317 -17.908 -5.433 -36.764 1.00 19.72 O HETATM 706 O HOH A 318 -17.553 -18.653 -30.721 1.00 33.02 O HETATM 707 O HOH A 319 -22.502 -14.787 -43.400 1.00 39.04 O HETATM 708 O HOH A 320 -16.884 -8.245 -42.958 1.00 28.02 O HETATM 709 O HOH A 321 -20.608 -9.795 -24.816 1.00 43.30 O HETATM 710 O HOH A 322 -25.883 -15.043 -48.037 1.00 51.41 O HETATM 711 O HOH A 323 -28.637 -8.589 -24.954 1.00 45.25 O HETATM 712 O HOH A 324 -30.621 -19.783 -33.785 1.00 41.12 O HETATM 713 O HOH A 325 -31.998 2.428 -46.492 1.00 43.12 O HETATM 714 O HOH A 326 -28.053 8.359 -31.461 1.00 34.82 O HETATM 715 O HOH A 327 -36.336 -10.726 -32.576 1.00 33.19 O HETATM 716 O HOH A 328 -18.847 -12.048 -24.666 1.00 51.63 O HETATM 717 O HOH A 329 -25.874 -19.438 -33.569 1.00 35.57 O HETATM 718 O HOH A 330 -19.191 -11.904 -27.446 1.00 37.76 O HETATM 719 O HOH A 331 -15.106 -7.126 -38.704 1.00 36.33 O HETATM 720 O HOH A 332 -27.208 -3.807 -45.719 1.00 46.13 O HETATM 721 O HOH A 333 -31.506 -9.199 -29.041 1.00 35.46 O HETATM 722 O HOH A 334 -31.588 -4.977 -43.145 1.00 42.04 O HETATM 723 O HOH A 335 -29.354 -8.251 -43.360 1.00 41.93 O HETATM 724 O HOH A 336 -18.748 -13.925 -28.664 1.00 28.32 O HETATM 725 O HOH A 337 -31.936 -2.334 -42.513 1.00 43.23 O HETATM 726 O HOH A 338 -8.300 -16.491 -39.192 1.00 35.13 O HETATM 727 O HOH A 339 -20.942 6.947 -39.803 1.00 40.33 O HETATM 728 O HOH A 340 -34.006 -8.332 -30.596 1.00 38.17 O HETATM 729 O HOH A 341 -30.655 -3.086 -45.150 1.00 46.46 O HETATM 730 O HOH A 342 -32.118 1.303 -41.496 1.00 46.62 O HETATM 731 O HOH A 343 -27.964 -7.390 -44.924 1.00 52.89 O HETATM 732 O HOH A 344 -33.770 3.615 -47.477 1.00 53.98 O HETATM 733 O HOH A 345 -32.470 -11.396 -44.608 1.00 29.12 O HETATM 734 O HOH A 346 -27.824 -21.037 -33.340 1.00 43.53 O HETATM 735 O HOH A 347 -30.648 -20.597 -40.679 1.00 45.73 O HETATM 736 O HOH A 348 -34.476 4.619 -52.544 1.00 51.74 O HETATM 737 O HOH A 349 -30.610 -6.984 -53.552 1.00 57.35 O HETATM 738 O HOH B 101 -31.555 1.925 -30.144 1.00 31.20 O HETATM 739 O HOH B 102 -18.648 -2.146 -24.290 1.00 52.84 O HETATM 740 O HOH B 103 -20.124 7.012 -31.792 1.00 48.93 O HETATM 741 O HOH B 104 -13.828 -1.168 -39.354 1.00 52.48 O HETATM 742 O HOH B 105 -32.855 0.000 -28.712 0.50 31.28 O HETATM 743 O HOH B 106 -28.753 8.568 -27.436 1.00 52.75 O HETATM 744 O HOH B 107 -18.581 4.289 -36.885 1.00 38.68 O HETATM 745 O HOH B 108 -30.104 7.004 -27.556 1.00 57.69 O CONECT 684 685 686 687 688 CONECT 685 684 CONECT 686 684 CONECT 687 684 CONECT 688 684 MASTER 276 0 1 1 6 0 0 6 716 2 5 8 END
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Related entries of code: 5yts
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6a6j
RCSB PDB
PDBbind
93aa, >6A6J_1|Chains... *
5ytx
RCSB PDB
PDBbind
83aa, >5YTX_1|Chain... at 97%
5ytv
RCSB PDB
PDBbind
83aa, >5YTV_1|Chain... at 97%
5ytt
RCSB PDB
PDBbind
83aa, >5YTT_1|Chain... at 97%
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
5yts
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
Nuclease-sensitive element-binding protein 1, YB1 cold-shock domain
Ligand Name
RNA A2U (UCUUCU)
EC.Number
E.C.-.-.-.-
Resolution
1.77(Å)
Affinity (Kd/Ki/IC50)
Kd=2.77uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Biol.Chem. Vol. 294: pp. 10998-11010
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):
P67809
Entrez Gene ID
NCBI Entrez Gene ID:
4904
ASD
Information of known allosteric effects of PDB entries
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