Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN/DNA 09-OCT-15 5E6C TITLE GLUCOCORTICOID RECEPTOR DNA BINDING DOMAIN - CCL2 NF-KB RESPONSE TITLE 2 ELEMENT COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: GLUCOCORTICOID RECEPTOR; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: UNP RESIDUES 391-480; COMPND 5 SYNONYM: GR,NUCLEAR RECEPTOR SUBFAMILY 3 GROUP C MEMBER 1; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: DNA (5'-D(*AP*GP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*AP*CP*T)- COMPND 9 3'); COMPND 10 CHAIN: C; COMPND 11 ENGINEERED: YES; COMPND 12 MOL_ID: 3; COMPND 13 MOLECULE: DNA (5'-D(*AP*GP*TP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*AP*CP*T)- COMPND 14 3'); COMPND 15 CHAIN: D; COMPND 16 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: NR3C1, GRL; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYSS; SOURCE 9 MOL_ID: 2; SOURCE 10 SYNTHETIC: YES; SOURCE 11 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 12 ORGANISM_TAXID: 9606; SOURCE 13 MOL_ID: 3; SOURCE 14 SYNTHETIC: YES; SOURCE 15 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 16 ORGANISM_TAXID: 9606 KEYWDS DNA BINDING PROTEIN, DNA BINDING PROTEIN-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR W.H.HUDSON,E.A.RYE,A.G.HERBST,E.A.ORTLUND REVDAT 3 24-OCT-18 5E6C 1 JRNL REVDAT 2 22-NOV-17 5E6C 1 REMARK REVDAT 1 08-FEB-17 5E6C 0 JRNL AUTH W.H.HUDSON,I.M.S.VERA,J.C.NWACHUKWU,E.R.WEIKUM,A.G.HERBST, JRNL AUTH 2 Q.YANG,D.L.BAIN,K.W.NETTLES,D.J.KOJETIN,E.A.ORTLUND JRNL TITL CRYPTIC GLUCOCORTICOID RECEPTOR-BINDING SITES PERVADE JRNL TITL 2 GENOMIC NF-KAPPA B RESPONSE ELEMENTS. JRNL REF NAT COMMUN V. 9 1337 2018 JRNL REFN ESSN 2041-1723 JRNL PMID 29626214 JRNL DOI 10.1038/S41467-018-03780-1 REMARK 2 REMARK 2 RESOLUTION. 2.20 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 : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 35.52 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.370 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.6 REMARK 3 NUMBER OF REFLECTIONS : 20451 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.237 REMARK 3 R VALUE (WORKING SET) : 0.233 REMARK 3 FREE R VALUE : 0.271 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.770 REMARK 3 FREE R VALUE TEST SET COUNT : 1998 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 35.5278 - 5.2887 1.00 1467 161 0.1933 0.2294 REMARK 3 2 5.2887 - 4.2000 1.00 1384 153 0.2060 0.2512 REMARK 3 3 4.2000 - 3.6697 1.00 1380 145 0.2380 0.2678 REMARK 3 4 3.6697 - 3.3344 1.00 1350 148 0.2308 0.2623 REMARK 3 5 3.3344 - 3.0956 0.98 1338 136 0.2484 0.3258 REMARK 3 6 3.0956 - 2.9132 1.00 1325 153 0.2703 0.3013 REMARK 3 7 2.9132 - 2.7673 1.00 1331 146 0.2713 0.3187 REMARK 3 8 2.7673 - 2.6469 1.00 1340 150 0.2453 0.2631 REMARK 3 9 2.6469 - 2.5450 1.00 1329 135 0.2647 0.2890 REMARK 3 10 2.5450 - 2.4572 1.00 1321 140 0.2584 0.2558 REMARK 3 11 2.4572 - 2.3804 1.00 1338 142 0.2607 0.2698 REMARK 3 12 2.3804 - 2.3124 0.98 1287 132 0.2928 0.3083 REMARK 3 13 2.3124 - 2.2515 0.91 1220 146 0.2929 0.3567 REMARK 3 14 2.2515 - 2.1966 0.80 1043 111 0.3233 0.3377 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.260 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 27.360 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 : 0.011 1901 REMARK 3 ANGLE : 1.178 2682 REMARK 3 CHIRALITY : 0.050 293 REMARK 3 PLANARITY : 0.005 233 REMARK 3 DIHEDRAL : 23.853 765 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 5E6C COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-OCT-15. REMARK 100 THE DEPOSITION ID IS D_1000209306. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 02-JUL-14 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 22-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.00 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 300 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 20451 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200 REMARK 200 RESOLUTION RANGE LOW (A) : 48.700 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.3 REMARK 200 DATA REDUNDANCY : 6.700 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 20.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.28 REMARK 200 COMPLETENESS FOR SHELL (%) : 87.8 REMARK 200 DATA REDUNDANCY IN SHELL : 2.10 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : 2.100 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: PHENIX REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 56.05 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.80 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M SODIUM MALONATE, 6% GLYCEROL, 5% REMARK 280 PEG 3350, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 19.54150 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 51.92600 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 48.70350 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 51.92600 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 19.54150 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 48.70350 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 4570 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 13300 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -25.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D 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 393 REMARK 465 HIS A 394 REMARK 465 HIS A 395 REMARK 465 HIS A 396 REMARK 465 HIS A 397 REMARK 465 HIS A 398 REMARK 465 HIS A 399 REMARK 465 SER A 400 REMARK 465 SER A 401 REMARK 465 GLY A 402 REMARK 465 VAL A 403 REMARK 465 ASP A 404 REMARK 465 LEU A 405 REMARK 465 GLY A 406 REMARK 465 THR A 407 REMARK 465 GLU A 408 REMARK 465 ASN A 409 REMARK 465 LEU A 410 REMARK 465 TYR A 411 REMARK 465 PHE A 412 REMARK 465 GLN A 413 REMARK 465 SER A 414 REMARK 465 ASN A 415 REMARK 465 ALA A 416 REMARK 465 PRO A 417 REMARK 465 LYS A 496 REMARK 465 ILE A 497 REMARK 465 LYS A 498 REMARK 465 GLY A 499 REMARK 465 ILE A 500 REMARK 465 GLN A 501 REMARK 465 GLN A 502 REMARK 465 ALA A 503 REMARK 465 THR A 504 REMARK 465 THR A 505 REMARK 465 GLY A 506 REMARK 465 MET B 393 REMARK 465 HIS B 394 REMARK 465 HIS B 395 REMARK 465 HIS B 396 REMARK 465 HIS B 397 REMARK 465 HIS B 398 REMARK 465 HIS B 399 REMARK 465 SER B 400 REMARK 465 SER B 401 REMARK 465 GLY B 402 REMARK 465 VAL B 403 REMARK 465 ASP B 404 REMARK 465 LEU B 405 REMARK 465 GLY B 406 REMARK 465 THR B 407 REMARK 465 GLU B 408 REMARK 465 ASN B 409 REMARK 465 LEU B 410 REMARK 465 TYR B 411 REMARK 465 PHE B 412 REMARK 465 GLN B 413 REMARK 465 SER B 414 REMARK 465 ASN B 415 REMARK 465 ALA B 416 REMARK 465 PRO B 417 REMARK 465 PRO B 418 REMARK 465 ARG B 491 REMARK 465 LYS B 492 REMARK 465 THR B 493 REMARK 465 LYS B 494 REMARK 465 LYS B 495 REMARK 465 LYS B 496 REMARK 465 ILE B 497 REMARK 465 LYS B 498 REMARK 465 GLY B 499 REMARK 465 ILE B 500 REMARK 465 GLN B 501 REMARK 465 GLN B 502 REMARK 465 ALA B 503 REMARK 465 THR B 504 REMARK 465 THR B 505 REMARK 465 GLY B 506 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DG C 2 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES REMARK 500 DG C 4 O4' - C1' - N9 ANGL. DEV. = 1.9 DEGREES REMARK 500 DG C 5 O4' - C1' - N9 ANGL. DEV. = 1.8 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 426 -178.69 -61.35 REMARK 500 HIS A 453 28.33 47.06 REMARK 500 ASP A 462 39.33 -143.75 REMARK 500 LYS A 492 -2.97 -56.68 REMARK 500 LYS A 494 -19.75 83.38 REMARK 500 GLN B 452 47.43 -80.94 REMARK 500 ASP B 462 47.24 -144.75 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 601 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 421 SG REMARK 620 2 CYS A 424 SG 110.6 REMARK 620 3 CYS A 438 SG 116.5 105.3 REMARK 620 4 CYS A 441 SG 110.7 107.1 106.1 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 602 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 457 SG REMARK 620 2 CYS A 463 SG 100.5 REMARK 620 3 CYS A 473 SG 111.2 111.0 REMARK 620 4 CYS A 476 SG 111.9 114.0 108.2 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 602 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 421 SG REMARK 620 2 CYS B 424 SG 109.7 REMARK 620 3 CYS B 438 SG 115.8 106.2 REMARK 620 4 CYS B 441 SG 108.8 114.7 101.6 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 601 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 457 SG REMARK 620 2 CYS B 463 SG 102.4 REMARK 620 3 CYS B 473 SG 113.7 109.6 REMARK 620 4 CYS B 476 SG 109.5 113.1 108.6 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 601 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 602 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN B 601 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN B 602 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 5E69 RELATED DB: PDB REMARK 900 RELATED ID: 5E6A RELATED DB: PDB REMARK 900 RELATED ID: 5E6B RELATED DB: PDB REMARK 900 RELATED ID: 5E6D RELATED DB: PDB DBREF 5E6C A 417 506 UNP P04150 GCR_HUMAN 391 480 DBREF 5E6C B 417 506 UNP P04150 GCR_HUMAN 391 480 DBREF 5E6C C 1 16 PDB 5E6C 5E6C 1 16 DBREF 5E6C D 1 16 PDB 5E6C 5E6C 1 16 SEQADV 5E6C MET A 393 UNP P04150 INITIATING METHIONINE SEQADV 5E6C HIS A 394 UNP P04150 EXPRESSION TAG SEQADV 5E6C HIS A 395 UNP P04150 EXPRESSION TAG SEQADV 5E6C HIS A 396 UNP P04150 EXPRESSION TAG SEQADV 5E6C HIS A 397 UNP P04150 EXPRESSION TAG SEQADV 5E6C HIS A 398 UNP P04150 EXPRESSION TAG SEQADV 5E6C HIS A 399 UNP P04150 EXPRESSION TAG SEQADV 5E6C SER A 400 UNP P04150 EXPRESSION TAG SEQADV 5E6C SER A 401 UNP P04150 EXPRESSION TAG SEQADV 5E6C GLY A 402 UNP P04150 EXPRESSION TAG SEQADV 5E6C VAL A 403 UNP P04150 EXPRESSION TAG SEQADV 5E6C ASP A 404 UNP P04150 EXPRESSION TAG SEQADV 5E6C LEU A 405 UNP P04150 EXPRESSION TAG SEQADV 5E6C GLY A 406 UNP P04150 EXPRESSION TAG SEQADV 5E6C THR A 407 UNP P04150 EXPRESSION TAG SEQADV 5E6C GLU A 408 UNP P04150 EXPRESSION TAG SEQADV 5E6C ASN A 409 UNP P04150 EXPRESSION TAG SEQADV 5E6C LEU A 410 UNP P04150 EXPRESSION TAG SEQADV 5E6C TYR A 411 UNP P04150 EXPRESSION TAG SEQADV 5E6C PHE A 412 UNP P04150 EXPRESSION TAG SEQADV 5E6C GLN A 413 UNP P04150 EXPRESSION TAG SEQADV 5E6C SER A 414 UNP P04150 EXPRESSION TAG SEQADV 5E6C ASN A 415 UNP P04150 EXPRESSION TAG SEQADV 5E6C ALA A 416 UNP P04150 EXPRESSION TAG SEQADV 5E6C MET B 393 UNP P04150 INITIATING METHIONINE SEQADV 5E6C HIS B 394 UNP P04150 EXPRESSION TAG SEQADV 5E6C HIS B 395 UNP P04150 EXPRESSION TAG SEQADV 5E6C HIS B 396 UNP P04150 EXPRESSION TAG SEQADV 5E6C HIS B 397 UNP P04150 EXPRESSION TAG SEQADV 5E6C HIS B 398 UNP P04150 EXPRESSION TAG SEQADV 5E6C HIS B 399 UNP P04150 EXPRESSION TAG SEQADV 5E6C SER B 400 UNP P04150 EXPRESSION TAG SEQADV 5E6C SER B 401 UNP P04150 EXPRESSION TAG SEQADV 5E6C GLY B 402 UNP P04150 EXPRESSION TAG SEQADV 5E6C VAL B 403 UNP P04150 EXPRESSION TAG SEQADV 5E6C ASP B 404 UNP P04150 EXPRESSION TAG SEQADV 5E6C LEU B 405 UNP P04150 EXPRESSION TAG SEQADV 5E6C GLY B 406 UNP P04150 EXPRESSION TAG SEQADV 5E6C THR B 407 UNP P04150 EXPRESSION TAG SEQADV 5E6C GLU B 408 UNP P04150 EXPRESSION TAG SEQADV 5E6C ASN B 409 UNP P04150 EXPRESSION TAG SEQADV 5E6C LEU B 410 UNP P04150 EXPRESSION TAG SEQADV 5E6C TYR B 411 UNP P04150 EXPRESSION TAG SEQADV 5E6C PHE B 412 UNP P04150 EXPRESSION TAG SEQADV 5E6C GLN B 413 UNP P04150 EXPRESSION TAG SEQADV 5E6C SER B 414 UNP P04150 EXPRESSION TAG SEQADV 5E6C ASN B 415 UNP P04150 EXPRESSION TAG SEQADV 5E6C ALA B 416 UNP P04150 EXPRESSION TAG SEQRES 1 A 114 MET HIS HIS HIS HIS HIS HIS SER SER GLY VAL ASP LEU SEQRES 2 A 114 GLY THR GLU ASN LEU TYR PHE GLN SER ASN ALA PRO PRO SEQRES 3 A 114 LYS LEU CYS LEU VAL CYS SER ASP GLU ALA SER GLY CYS SEQRES 4 A 114 HIS TYR GLY VAL LEU THR CYS GLY SER CYS LYS VAL PHE SEQRES 5 A 114 PHE LYS ARG ALA VAL GLU GLY GLN HIS ASN TYR LEU CYS SEQRES 6 A 114 ALA GLY ARG ASN ASP CYS ILE ILE ASP LYS ILE ARG ARG SEQRES 7 A 114 LYS ASN CYS PRO ALA CYS ARG TYR ARG LYS CYS LEU GLN SEQRES 8 A 114 ALA GLY MET ASN LEU GLU ALA ARG LYS THR LYS LYS LYS SEQRES 9 A 114 ILE LYS GLY ILE GLN GLN ALA THR THR GLY SEQRES 1 B 114 MET HIS HIS HIS HIS HIS HIS SER SER GLY VAL ASP LEU SEQRES 2 B 114 GLY THR GLU ASN LEU TYR PHE GLN SER ASN ALA PRO PRO SEQRES 3 B 114 LYS LEU CYS LEU VAL CYS SER ASP GLU ALA SER GLY CYS SEQRES 4 B 114 HIS TYR GLY VAL LEU THR CYS GLY SER CYS LYS VAL PHE SEQRES 5 B 114 PHE LYS ARG ALA VAL GLU GLY GLN HIS ASN TYR LEU CYS SEQRES 6 B 114 ALA GLY ARG ASN ASP CYS ILE ILE ASP LYS ILE ARG ARG SEQRES 7 B 114 LYS ASN CYS PRO ALA CYS ARG TYR ARG LYS CYS LEU GLN SEQRES 8 B 114 ALA GLY MET ASN LEU GLU ALA ARG LYS THR LYS LYS LYS SEQRES 9 B 114 ILE LYS GLY ILE GLN GLN ALA THR THR GLY SEQRES 1 C 16 DA DG DT DG DG DA DA DA DT DT DC DC DC SEQRES 2 C 16 DA DC DT SEQRES 1 D 16 DA DG DT DG DG DG DA DA DT DT DT DC DC SEQRES 2 D 16 DA DC DT HET ZN A 601 1 HET ZN A 602 1 HET ZN B 601 1 HET ZN B 602 1 HETNAM ZN ZINC ION FORMUL 5 ZN 4(ZN 2+) FORMUL 9 HOH *29(H2 O) HELIX 1 AA1 CYS A 438 GLY A 451 1 14 HELIX 2 AA2 CYS A 473 GLY A 485 1 13 HELIX 3 AA3 CYS B 438 GLY B 451 1 14 HELIX 4 AA4 CYS B 473 ALA B 484 1 12 SHEET 1 AA1 2 GLY A 430 HIS A 432 0 SHEET 2 AA1 2 VAL A 435 THR A 437 -1 O VAL A 435 N HIS A 432 SHEET 1 AA2 2 GLY B 430 HIS B 432 0 SHEET 2 AA2 2 VAL B 435 THR B 437 -1 O THR B 437 N GLY B 430 LINK SG CYS A 421 ZN ZN A 601 1555 1555 2.05 LINK SG CYS A 424 ZN ZN A 601 1555 1555 2.30 LINK SG CYS A 438 ZN ZN A 601 1555 1555 2.33 LINK SG CYS A 441 ZN ZN A 601 1555 1555 2.22 LINK SG CYS A 457 ZN ZN A 602 1555 1555 2.32 LINK SG CYS A 463 ZN ZN A 602 1555 1555 2.37 LINK SG CYS A 473 ZN ZN A 602 1555 1555 2.31 LINK SG CYS A 476 ZN ZN A 602 1555 1555 2.18 LINK SG CYS B 421 ZN ZN B 602 1555 1555 2.30 LINK SG CYS B 424 ZN ZN B 602 1555 1555 2.24 LINK SG CYS B 438 ZN ZN B 602 1555 1555 2.29 LINK SG CYS B 441 ZN ZN B 602 1555 1555 2.26 LINK SG CYS B 457 ZN ZN B 601 1555 1555 2.29 LINK SG CYS B 463 ZN ZN B 601 1555 1555 2.34 LINK SG CYS B 473 ZN ZN B 601 1555 1555 2.31 LINK SG CYS B 476 ZN ZN B 601 1555 1555 2.33 CISPEP 1 THR A 493 LYS A 494 0 -9.59 SITE 1 AC1 4 CYS A 421 CYS A 424 CYS A 438 CYS A 441 SITE 1 AC2 4 CYS A 457 CYS A 463 CYS A 473 CYS A 476 SITE 1 AC3 4 CYS B 457 CYS B 463 CYS B 473 CYS B 476 SITE 1 AC4 4 CYS B 421 CYS B 424 CYS B 438 CYS B 441 CRYST1 39.083 97.407 103.852 90.00 90.00 90.00 P 21 21 21 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 0.025587 0.000000 0.000000 0.00000 SCALE2 0.000000 0.010266 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009629 0.00000 ATOM 1 N PRO A 418 -25.443 17.886 18.954 1.00 85.84 N ATOM 2 CA PRO A 418 -25.088 18.240 17.570 1.00 84.51 C ATOM 3 C PRO A 418 -23.642 18.791 17.448 1.00 83.90 C ATOM 4 O PRO A 418 -23.414 19.996 17.639 1.00 84.14 O ATOM 5 CB PRO A 418 -26.142 19.315 17.200 1.00 85.69 C ATOM 6 CG PRO A 418 -26.611 19.887 18.525 1.00 83.15 C ATOM 7 CD PRO A 418 -26.505 18.754 19.504 1.00 83.69 C ATOM 8 N LYS A 419 -22.672 17.902 17.204 1.00 77.72 N ATOM 9 CA LYS A 419 -21.245 18.285 17.106 1.00 76.62 C ATOM 10 C LYS A 419 -20.634 17.848 15.750 1.00 70.21 C ATOM 11 O LYS A 419 -20.598 16.656 15.422 1.00 67.32 O ATOM 12 CB LYS A 419 -20.412 17.693 18.264 1.00 76.36 C ATOM 13 CG LYS A 419 -21.139 17.138 19.499 1.00 77.60 C ATOM 14 CD LYS A 419 -22.086 18.126 20.178 1.00 83.12 C ATOM 15 CE LYS A 419 -22.561 17.571 21.522 1.00 84.15 C ATOM 16 NZ LYS A 419 -23.464 18.477 22.312 1.00 82.88 N ATOM 17 N LEU A 420 -20.143 18.809 14.968 1.00 68.66 N ATOM 18 CA LEU A 420 -19.709 18.534 13.585 1.00 64.75 C ATOM 19 C LEU A 420 -18.224 18.788 13.262 1.00 59.28 C ATOM 20 O LEU A 420 -17.592 19.696 13.826 1.00 49.15 O ATOM 21 CB LEU A 420 -20.555 19.362 12.623 1.00 63.15 C ATOM 22 CG LEU A 420 -22.061 19.139 12.768 1.00 65.61 C ATOM 23 CD1 LEU A 420 -22.853 20.236 12.064 1.00 55.68 C ATOM 24 CD2 LEU A 420 -22.447 17.756 12.232 1.00 63.21 C ATOM 25 N CYS A 421 -17.689 17.992 12.330 1.00 55.73 N ATOM 26 CA CYS A 421 -16.289 18.115 11.892 1.00 53.82 C ATOM 27 C CYS A 421 -15.993 19.535 11.441 1.00 49.61 C ATOM 28 O CYS A 421 -16.612 20.012 10.490 1.00 55.99 O ATOM 29 CB CYS A 421 -15.986 17.127 10.758 1.00 54.28 C ATOM 30 SG CYS A 421 -14.344 17.293 9.978 1.00 39.36 S ATOM 31 N LEU A 422 -15.087 20.223 12.140 1.00 51.10 N ATOM 32 CA LEU A 422 -14.728 21.614 11.819 1.00 42.37 C ATOM 33 C LEU A 422 -14.043 21.753 10.466 1.00 46.62 C ATOM 34 O LEU A 422 -13.706 22.865 10.042 1.00 51.70 O ATOM 35 CB LEU A 422 -13.801 22.209 12.878 1.00 47.20 C ATOM 36 CG LEU A 422 -14.399 22.872 14.120 1.00 56.90 C ATOM 37 CD1 LEU A 422 -13.348 23.711 14.861 1.00 53.44 C ATOM 38 CD2 LEU A 422 -15.588 23.745 13.735 1.00 52.79 C ATOM 39 N VAL A 423 -13.812 20.628 9.797 1.00 46.46 N ATOM 40 CA VAL A 423 -13.196 20.665 8.493 1.00 48.95 C ATOM 41 C VAL A 423 -14.245 20.335 7.427 1.00 48.09 C ATOM 42 O VAL A 423 -14.397 21.077 6.464 1.00 44.05 O ATOM 43 CB VAL A 423 -11.980 19.705 8.410 1.00 42.37 C ATOM 44 CG1 VAL A 423 -11.324 19.749 7.023 1.00 40.10 C ATOM 45 CG2 VAL A 423 -10.982 20.060 9.463 1.00 45.02 C ATOM 46 N CYS A 424 -14.993 19.250 7.595 1.00 53.71 N ATOM 47 CA CYS A 424 -15.918 18.864 6.525 1.00 50.17 C ATOM 48 C CYS A 424 -17.395 18.808 6.926 1.00 54.83 C ATOM 49 O CYS A 424 -18.229 18.400 6.118 1.00 57.52 O ATOM 50 CB CYS A 424 -15.510 17.513 5.957 1.00 49.69 C ATOM 51 SG CYS A 424 -15.920 16.088 7.001 1.00 55.42 S ATOM 52 N SER A 425 -17.707 19.211 8.160 1.00 58.91 N ATOM 53 CA SER A 425 -19.081 19.238 8.687 1.00 57.28 C ATOM 54 C SER A 425 -19.761 17.866 8.770 1.00 56.24 C ATOM 55 O SER A 425 -20.951 17.787 9.054 1.00 61.56 O ATOM 56 CB SER A 425 -19.956 20.172 7.847 1.00 60.79 C ATOM 57 OG SER A 425 -19.377 21.460 7.737 1.00 60.50 O ATOM 58 N ASP A 426 -19.021 16.789 8.525 1.00 56.95 N ATOM 59 CA ASP A 426 -19.515 15.435 8.812 1.00 59.52 C ATOM 60 C ASP A 426 -19.776 15.355 10.312 1.00 59.73 C ATOM 61 O ASP A 426 -19.602 16.344 11.048 1.00 57.95 O ATOM 62 CB ASP A 426 -18.506 14.353 8.377 1.00 54.42 C ATOM 63 CG ASP A 426 -19.150 12.979 8.188 1.00 64.77 C ATOM 64 OD1 ASP A 426 -20.367 12.859 8.465 1.00 72.21 O ATOM 65 OD2 ASP A 426 -18.444 12.020 7.777 1.00 60.40 O ATOM 66 N GLU A 427 -20.206 14.200 10.795 1.00 59.85 N ATOM 67 CA GLU A 427 -20.448 14.130 12.226 1.00 65.21 C ATOM 68 C GLU A 427 -19.096 13.954 12.912 1.00 58.36 C ATOM 69 O GLU A 427 -18.324 13.053 12.568 1.00 55.70 O ATOM 70 CB GLU A 427 -21.435 13.008 12.584 1.00 70.34 C ATOM 71 CG GLU A 427 -20.996 11.598 12.199 1.00 71.57 C ATOM 72 CD GLU A 427 -22.039 10.547 12.551 1.00 81.15 C ATOM 73 OE1 GLU A 427 -22.952 10.861 13.347 1.00 85.61 O ATOM 74 OE2 GLU A 427 -21.933 9.404 12.051 1.00 85.93 O ATOM 75 N ALA A 428 -18.797 14.851 13.844 1.00 55.08 N ATOM 76 CA ALA A 428 -17.542 14.784 14.588 1.00 58.34 C ATOM 77 C ALA A 428 -17.505 13.555 15.506 1.00 64.54 C ATOM 78 O ALA A 428 -18.547 13.084 15.967 1.00 66.29 O ATOM 79 CB ALA A 428 -17.349 16.038 15.378 1.00 57.04 C ATOM 80 N SER A 429 -16.308 13.027 15.753 1.00 63.77 N ATOM 81 CA SER A 429 -16.151 11.865 16.614 1.00 60.89 C ATOM 82 C SER A 429 -15.328 12.205 17.858 1.00 64.33 C ATOM 83 O SER A 429 -15.195 11.383 18.765 1.00 73.02 O ATOM 84 CB SER A 429 -15.507 10.707 15.846 1.00 59.51 C ATOM 85 OG SER A 429 -14.143 10.966 15.572 1.00 63.11 O ATOM 86 N GLY A 430 -14.789 13.419 17.907 1.00 59.53 N ATOM 87 CA GLY A 430 -14.068 13.881 19.079 1.00 54.61 C ATOM 88 C GLY A 430 -13.063 14.978 18.763 1.00 58.07 C ATOM 89 O GLY A 430 -13.026 15.495 17.642 1.00 56.17 O ATOM 90 N CYS A 431 -12.254 15.348 19.751 1.00 49.12 N ATOM 91 CA CYS A 431 -11.191 16.327 19.540 1.00 51.05 C ATOM 92 C CYS A 431 -9.951 15.558 19.105 1.00 54.09 C ATOM 93 O CYS A 431 -9.371 14.803 19.897 1.00 52.91 O ATOM 94 CB CYS A 431 -10.921 17.143 20.809 1.00 51.77 C ATOM 95 SG CYS A 431 -9.778 18.571 20.613 1.00 65.06 S ATOM 96 N HIS A 432 -9.583 15.703 17.832 1.00 44.35 N ATOM 97 CA HIS A 432 -8.452 14.990 17.255 1.00 43.31 C ATOM 98 C HIS A 432 -7.395 15.983 16.793 1.00 46.26 C ATOM 99 O HIS A 432 -7.687 16.908 16.020 1.00 39.75 O ATOM 100 CB HIS A 432 -8.889 14.123 16.084 1.00 43.64 C ATOM 101 CG HIS A 432 -9.948 13.124 16.437 1.00 54.91 C ATOM 102 ND1 HIS A 432 -9.696 12.022 17.220 1.00 51.81 N ATOM 103 CD2 HIS A 432 -11.255 13.050 16.082 1.00 55.81 C ATOM 104 CE1 HIS A 432 -10.810 11.318 17.357 1.00 50.08 C ATOM 105 NE2 HIS A 432 -11.764 11.917 16.673 1.00 56.20 N ATOM 106 N TYR A 433 -6.173 15.798 17.280 1.00 44.79 N ATOM 107 CA TYR A 433 -5.067 16.682 16.940 1.00 42.74 C ATOM 108 C TYR A 433 -5.427 18.117 17.293 1.00 42.42 C ATOM 109 O TYR A 433 -4.980 19.060 16.656 1.00 44.71 O ATOM 110 CB TYR A 433 -4.699 16.523 15.453 1.00 38.60 C ATOM 111 CG TYR A 433 -4.348 15.083 15.115 1.00 40.61 C ATOM 112 CD1 TYR A 433 -3.478 14.360 15.922 1.00 45.78 C ATOM 113 CD2 TYR A 433 -4.914 14.433 14.019 1.00 41.63 C ATOM 114 CE1 TYR A 433 -3.152 13.037 15.636 1.00 48.03 C ATOM 115 CE2 TYR A 433 -4.600 13.111 13.721 1.00 42.58 C ATOM 116 CZ TYR A 433 -3.717 12.411 14.539 1.00 49.59 C ATOM 117 OH TYR A 433 -3.399 11.086 14.273 1.00 44.92 O ATOM 118 N GLY A 434 -6.249 18.264 18.325 1.00 43.15 N ATOM 119 CA GLY A 434 -6.506 19.550 18.930 1.00 40.24 C ATOM 120 C GLY A 434 -7.740 20.231 18.400 1.00 44.13 C ATOM 121 O GLY A 434 -8.043 21.355 18.785 1.00 49.74 O ATOM 122 N VAL A 435 -8.469 19.540 17.533 1.00 44.89 N ATOM 123 CA VAL A 435 -9.572 20.151 16.807 1.00 46.88 C ATOM 124 C VAL A 435 -10.761 19.200 16.682 1.00 44.97 C ATOM 125 O VAL A 435 -10.580 18.017 16.470 1.00 44.17 O ATOM 126 CB VAL A 435 -9.117 20.592 15.376 1.00 41.77 C ATOM 127 CG1 VAL A 435 -10.302 20.992 14.523 1.00 43.25 C ATOM 128 CG2 VAL A 435 -8.123 21.732 15.456 1.00 42.19 C ATOM 129 N LEU A 436 -11.976 19.730 16.796 1.00 49.32 N ATOM 130 CA LEU A 436 -13.183 18.935 16.598 1.00 46.24 C ATOM 131 C LEU A 436 -13.341 18.463 15.152 1.00 51.29 C ATOM 132 O LEU A 436 -13.566 19.270 14.239 1.00 48.34 O ATOM 133 CB LEU A 436 -14.412 19.741 17.030 1.00 54.18 C ATOM 134 CG LEU A 436 -15.715 18.945 17.054 1.00 56.17 C ATOM 135 CD1 LEU A 436 -15.510 17.666 17.870 1.00 54.27 C ATOM 136 CD2 LEU A 436 -16.826 19.799 17.654 1.00 54.83 C ATOM 137 N THR A 437 -13.206 17.151 14.941 1.00 47.11 N ATOM 138 CA THR A 437 -13.189 16.584 13.605 1.00 45.14 C ATOM 139 C THR A 437 -13.752 15.174 13.573 1.00 53.85 C ATOM 140 O THR A 437 -13.927 14.533 14.605 1.00 56.68 O ATOM 141 CB THR A 437 -11.742 16.500 13.013 1.00 48.92 C ATOM 142 OG1 THR A 437 -10.964 15.581 13.781 1.00 49.42 O ATOM 143 CG2 THR A 437 -11.048 17.836 13.013 1.00 42.64 C ATOM 144 N CYS A 438 -13.974 14.685 12.364 1.00 51.61 N ATOM 145 CA CYS A 438 -14.483 13.347 12.122 1.00 51.28 C ATOM 146 C CYS A 438 -13.346 12.352 11.924 1.00 50.32 C ATOM 147 O CYS A 438 -12.196 12.737 11.745 1.00 48.69 O ATOM 148 CB CYS A 438 -15.388 13.350 10.888 1.00 52.37 C ATOM 149 SG CYS A 438 -14.489 13.626 9.323 1.00 55.42 S ATOM 150 N GLY A 439 -13.682 11.072 11.953 1.00 49.11 N ATOM 151 CA GLY A 439 -12.723 10.017 11.729 1.00 41.86 C ATOM 152 C GLY A 439 -11.947 10.162 10.439 1.00 48.47 C ATOM 153 O GLY A 439 -10.730 9.934 10.421 1.00 49.56 O ATOM 154 N SER A 440 -12.626 10.544 9.358 1.00 43.79 N ATOM 155 CA SER A 440 -11.974 10.597 8.065 1.00 45.62 C ATOM 156 C SER A 440 -10.974 11.757 8.006 1.00 40.27 C ATOM 157 O SER A 440 -9.911 11.622 7.431 1.00 40.87 O ATOM 158 CB SER A 440 -13.000 10.734 6.935 1.00 48.94 C ATOM 159 OG SER A 440 -13.715 11.957 7.064 1.00 51.22 O ATOM 160 N CYS A 441 -11.332 12.892 8.580 1.00 35.93 N ATOM 161 CA CYS A 441 -10.448 14.046 8.546 1.00 44.95 C ATOM 162 C CYS A 441 -9.229 13.830 9.474 1.00 45.27 C ATOM 163 O CYS A 441 -8.096 14.155 9.100 1.00 38.10 O ATOM 164 CB CYS A 441 -11.225 15.322 8.897 1.00 42.63 C ATOM 165 SG CYS A 441 -12.326 15.880 7.472 1.00 45.71 S ATOM 166 N LYS A 442 -9.465 13.231 10.640 1.00 42.05 N ATOM 167 CA LYS A 442 -8.394 12.728 11.509 1.00 43.42 C ATOM 168 C LYS A 442 -7.302 11.973 10.746 1.00 39.50 C ATOM 169 O LYS A 442 -6.139 12.370 10.741 1.00 38.57 O ATOM 170 CB LYS A 442 -8.992 11.819 12.588 1.00 46.56 C ATOM 171 CG LYS A 442 -7.988 11.130 13.502 1.00 47.17 C ATOM 172 CD LYS A 442 -8.691 10.179 14.468 1.00 52.21 C ATOM 173 CE LYS A 442 -7.704 9.594 15.489 1.00 59.72 C ATOM 174 NZ LYS A 442 -6.543 8.899 14.845 1.00 58.14 N ATOM 175 N VAL A 443 -7.670 10.896 10.075 1.00 39.54 N ATOM 176 CA VAL A 443 -6.667 10.075 9.419 1.00 35.39 C ATOM 177 C VAL A 443 -6.216 10.672 8.079 1.00 36.80 C ATOM 178 O VAL A 443 -5.093 10.430 7.630 1.00 37.59 O ATOM 179 CB VAL A 443 -7.189 8.628 9.219 1.00 45.10 C ATOM 180 CG1 VAL A 443 -8.380 8.605 8.237 1.00 43.03 C ATOM 181 CG2 VAL A 443 -6.053 7.705 8.761 1.00 46.61 C ATOM 182 N PHE A 444 -7.071 11.448 7.417 1.00 39.55 N ATOM 183 CA PHE A 444 -6.575 12.240 6.290 1.00 39.13 C ATOM 184 C PHE A 444 -5.396 13.119 6.758 1.00 32.12 C ATOM 185 O PHE A 444 -4.367 13.190 6.113 1.00 34.04 O ATOM 186 CB PHE A 444 -7.668 13.130 5.678 1.00 38.04 C ATOM 187 CG PHE A 444 -7.128 14.160 4.700 1.00 37.09 C ATOM 188 CD1 PHE A 444 -6.841 13.806 3.389 1.00 35.15 C ATOM 189 CD2 PHE A 444 -6.870 15.464 5.106 1.00 34.88 C ATOM 190 CE1 PHE A 444 -6.322 14.738 2.471 1.00 37.98 C ATOM 191 CE2 PHE A 444 -6.357 16.410 4.187 1.00 36.27 C ATOM 192 CZ PHE A 444 -6.074 16.031 2.862 1.00 31.46 C ATOM 193 N PHE A 445 -5.556 13.789 7.881 1.00 32.91 N ATOM 194 CA PHE A 445 -4.507 14.702 8.359 1.00 35.03 C ATOM 195 C PHE A 445 -3.227 13.952 8.765 1.00 33.79 C ATOM 196 O PHE A 445 -2.123 14.309 8.349 1.00 33.87 O ATOM 197 CB PHE A 445 -5.005 15.528 9.526 1.00 33.51 C ATOM 198 CG PHE A 445 -3.998 16.538 10.019 1.00 33.68 C ATOM 199 CD1 PHE A 445 -3.682 17.627 9.251 1.00 30.59 C ATOM 200 CD2 PHE A 445 -3.364 16.381 11.241 1.00 34.44 C ATOM 201 CE1 PHE A 445 -2.744 18.557 9.693 1.00 33.56 C ATOM 202 CE2 PHE A 445 -2.438 17.304 11.676 1.00 36.23 C ATOM 203 CZ PHE A 445 -2.128 18.393 10.895 1.00 30.23 C ATOM 204 N LYS A 446 -3.394 12.892 9.540 1.00 34.73 N ATOM 205 CA LYS A 446 -2.294 12.007 9.877 1.00 37.48 C ATOM 206 C LYS A 446 -1.578 11.540 8.625 1.00 37.35 C ATOM 207 O LYS A 446 -0.358 11.622 8.560 1.00 39.54 O ATOM 208 CB LYS A 446 -2.786 10.796 10.678 1.00 40.58 C ATOM 209 CG LYS A 446 -1.673 9.795 11.002 1.00 38.70 C ATOM 210 CD LYS A 446 -0.692 10.385 12.011 1.00 47.85 C ATOM 211 CE LYS A 446 0.464 9.416 12.292 1.00 49.52 C ATOM 212 NZ LYS A 446 1.315 9.863 13.439 1.00 56.12 N ATOM 213 N ARG A 447 -2.324 11.075 7.621 1.00 33.45 N ATOM 214 CA ARG A 447 -1.697 10.619 6.389 1.00 36.57 C ATOM 215 C ARG A 447 -0.949 11.765 5.706 1.00 40.60 C ATOM 216 O ARG A 447 0.166 11.594 5.210 1.00 40.85 O ATOM 217 CB ARG A 447 -2.732 10.034 5.400 1.00 46.01 C ATOM 218 CG ARG A 447 -3.114 8.556 5.565 1.00 46.84 C ATOM 219 CD ARG A 447 -3.860 8.045 4.305 1.00 45.96 C ATOM 220 NE ARG A 447 -5.075 8.825 4.055 1.00 51.48 N ATOM 221 CZ ARG A 447 -6.258 8.553 4.596 1.00 47.73 C ATOM 222 NH1 ARG A 447 -6.394 7.493 5.391 1.00 48.56 N ATOM 223 NH2 ARG A 447 -7.305 9.330 4.347 1.00 44.36 N ATOM 224 N ALA A 448 -1.577 12.932 5.660 1.00 37.72 N ATOM 225 CA ALA A 448 -0.986 14.060 4.947 1.00 38.02 C ATOM 226 C ALA A 448 0.301 14.571 5.601 1.00 34.57 C ATOM 227 O ALA A 448 1.241 14.922 4.887 1.00 38.12 O ATOM 228 CB ALA A 448 -2.004 15.201 4.819 1.00 32.04 C ATOM 229 N VAL A 449 0.362 14.604 6.931 1.00 34.80 N ATOM 230 CA VAL A 449 1.567 15.098 7.616 1.00 36.93 C ATOM 231 C VAL A 449 2.708 14.106 7.775 1.00 41.47 C ATOM 232 O VAL A 449 3.840 14.518 7.970 1.00 44.23 O ATOM 233 CB VAL A 449 1.270 15.625 9.033 1.00 39.27 C ATOM 234 CG1 VAL A 449 0.349 16.841 8.967 1.00 39.73 C ATOM 235 CG2 VAL A 449 0.661 14.548 9.865 1.00 45.24 C ATOM 236 N GLU A 450 2.445 12.806 7.717 1.00 46.79 N ATOM 237 CA GLU A 450 3.565 11.878 7.801 1.00 46.73 C ATOM 238 C GLU A 450 4.115 11.563 6.411 1.00 46.52 C ATOM 239 O GLU A 450 5.246 11.111 6.291 1.00 57.71 O ATOM 240 CB GLU A 450 3.183 10.594 8.549 1.00 46.26 C ATOM 241 CG GLU A 450 3.361 10.680 10.081 1.00 53.85 C ATOM 242 CD GLU A 450 4.773 11.125 10.525 1.00 65.54 C ATOM 243 OE1 GLU A 450 5.781 10.663 9.939 1.00 76.53 O ATOM 244 OE2 GLU A 450 4.876 11.928 11.477 1.00 66.94 O ATOM 245 N GLY A 451 3.331 11.837 5.372 1.00 41.03 N ATOM 246 CA GLY A 451 3.753 11.666 3.996 1.00 41.41 C ATOM 247 C GLY A 451 4.092 13.008 3.349 1.00 44.71 C ATOM 248 O GLY A 451 4.560 13.901 4.033 1.00 45.70 O ATOM 249 N GLN A 452 3.862 13.174 2.049 1.00 44.16 N ATOM 250 CA GLN A 452 4.464 14.321 1.366 1.00 53.03 C ATOM 251 C GLN A 452 3.534 15.538 1.054 1.00 57.79 C ATOM 252 O GLN A 452 4.063 16.655 0.819 1.00 60.89 O ATOM 253 CB GLN A 452 5.138 13.854 0.069 1.00 44.47 C ATOM 254 CG GLN A 452 6.274 12.845 0.265 1.00 56.35 C ATOM 255 CD GLN A 452 7.262 12.820 -0.907 1.00 72.03 C ATOM 256 OE1 GLN A 452 8.421 13.231 -0.763 1.00 80.44 O ATOM 257 NE2 GLN A 452 6.805 12.352 -2.071 1.00 69.54 N ATOM 258 N HIS A 453 2.207 15.355 1.040 1.00 49.30 N ATOM 259 CA HIS A 453 1.235 16.487 0.886 1.00 48.27 C ATOM 260 C HIS A 453 1.488 17.537 -0.234 1.00 48.12 C ATOM 261 O HIS A 453 1.031 18.683 -0.152 1.00 46.80 O ATOM 262 CB HIS A 453 1.039 17.195 2.282 1.00 48.80 C ATOM 263 CG HIS A 453 2.040 18.277 2.628 1.00 55.95 C ATOM 264 ND1 HIS A 453 3.401 18.065 2.668 1.00 65.78 N ATOM 265 CD2 HIS A 453 1.852 19.529 3.119 1.00 53.40 C ATOM 266 CE1 HIS A 453 4.017 19.167 3.078 1.00 58.65 C ATOM 267 NE2 HIS A 453 3.092 20.068 3.358 1.00 56.10 N ATOM 268 N ASN A 454 2.139 17.152 -1.320 1.00 47.48 N ATOM 269 CA ASN A 454 2.281 18.106 -2.421 1.00 48.46 C ATOM 270 C ASN A 454 1.045 18.139 -3.341 1.00 50.12 C ATOM 271 O ASN A 454 1.140 17.819 -4.519 1.00 48.59 O ATOM 272 CB ASN A 454 3.536 17.808 -3.265 1.00 46.55 C ATOM 273 CG ASN A 454 3.891 18.953 -4.223 1.00 59.71 C ATOM 274 OD1 ASN A 454 3.179 19.960 -4.309 1.00 56.15 O ATOM 275 ND2 ASN A 454 4.991 18.789 -4.964 1.00 60.76 N ATOM 276 N TYR A 455 -0.113 18.514 -2.803 1.00 51.33 N ATOM 277 CA TYR A 455 -1.350 18.505 -3.586 1.00 45.55 C ATOM 278 C TYR A 455 -1.484 19.770 -4.408 1.00 42.92 C ATOM 279 O TYR A 455 -0.917 20.805 -4.060 1.00 42.80 O ATOM 280 CB TYR A 455 -2.583 18.370 -2.681 1.00 42.89 C ATOM 281 CG TYR A 455 -2.504 17.270 -1.658 1.00 43.69 C ATOM 282 CD1 TYR A 455 -2.335 15.940 -2.037 1.00 44.90 C ATOM 283 CD2 TYR A 455 -2.619 17.556 -0.314 1.00 39.36 C ATOM 284 CE1 TYR A 455 -2.262 14.935 -1.080 1.00 45.22 C ATOM 285 CE2 TYR A 455 -2.556 16.560 0.649 1.00 43.25 C ATOM 286 CZ TYR A 455 -2.373 15.262 0.274 1.00 48.12 C ATOM 287 OH TYR A 455 -2.313 14.287 1.262 1.00 50.65 O ATOM 288 N LEU A 456 -2.266 19.700 -5.478 1.00 37.43 N ATOM 289 CA LEU A 456 -2.501 20.875 -6.310 1.00 41.54 C ATOM 290 C LEU A 456 -3.992 21.156 -6.504 1.00 43.43 C ATOM 291 O LEU A 456 -4.749 20.292 -6.976 1.00 44.90 O ATOM 292 CB LEU A 456 -1.837 20.711 -7.676 1.00 49.89 C ATOM 293 CG LEU A 456 -0.340 20.421 -7.654 1.00 57.91 C ATOM 294 CD1 LEU A 456 0.074 19.650 -8.894 1.00 68.93 C ATOM 295 CD2 LEU A 456 0.442 21.715 -7.538 1.00 56.65 C ATOM 296 N CYS A 457 -4.403 22.369 -6.148 1.00 39.06 N ATOM 297 CA CYS A 457 -5.799 22.810 -6.277 1.00 37.21 C ATOM 298 C CYS A 457 -6.166 23.099 -7.714 1.00 39.37 C ATOM 299 O CYS A 457 -5.401 23.728 -8.447 1.00 36.97 O ATOM 300 CB CYS A 457 -6.056 24.065 -5.422 1.00 34.68 C ATOM 301 SG CYS A 457 -7.777 24.620 -5.434 1.00 34.63 S ATOM 302 N ALA A 458 -7.351 22.657 -8.127 1.00 36.10 N ATOM 303 CA ALA A 458 -7.788 22.903 -9.491 1.00 35.77 C ATOM 304 C ALA A 458 -8.573 24.204 -9.612 1.00 34.92 C ATOM 305 O ALA A 458 -8.885 24.647 -10.711 1.00 34.91 O ATOM 306 CB ALA A 458 -8.615 21.746 -9.973 1.00 40.48 C ATOM 307 N GLY A 459 -8.915 24.797 -8.477 1.00 34.87 N ATOM 308 CA GLY A 459 -9.725 26.002 -8.453 1.00 35.63 C ATOM 309 C GLY A 459 -8.876 27.169 -8.002 1.00 35.15 C ATOM 310 O GLY A 459 -7.839 27.437 -8.602 1.00 41.77 O ATOM 311 N ARG A 460 -9.294 27.862 -6.953 1.00 34.09 N ATOM 312 CA ARG A 460 -8.525 29.004 -6.461 1.00 39.78 C ATOM 313 C ARG A 460 -8.168 28.886 -4.988 1.00 42.71 C ATOM 314 O ARG A 460 -8.175 29.875 -4.260 1.00 39.49 O ATOM 315 CB ARG A 460 -9.301 30.291 -6.702 1.00 38.12 C ATOM 316 CG ARG A 460 -9.671 30.479 -8.191 1.00 44.65 C ATOM 317 CD ARG A 460 -10.030 31.934 -8.483 1.00 47.54 C ATOM 318 NE ARG A 460 -11.005 32.048 -9.556 1.00 53.78 N ATOM 319 CZ ARG A 460 -11.974 32.961 -9.584 1.00 54.33 C ATOM 320 NH1 ARG A 460 -12.093 33.836 -8.587 1.00 49.62 N ATOM 321 NH2 ARG A 460 -12.826 32.988 -10.600 1.00 55.07 N ATOM 322 N ASN A 461 -7.872 27.670 -4.542 1.00 38.97 N ATOM 323 CA ASN A 461 -7.475 27.455 -3.148 1.00 38.31 C ATOM 324 C ASN A 461 -8.485 27.888 -2.120 1.00 38.68 C ATOM 325 O ASN A 461 -8.107 28.292 -1.024 1.00 38.46 O ATOM 326 CB ASN A 461 -6.167 28.175 -2.872 1.00 35.89 C ATOM 327 CG ASN A 461 -5.103 27.730 -3.798 1.00 40.71 C ATOM 328 OD1 ASN A 461 -4.617 26.606 -3.702 1.00 38.75 O ATOM 329 ND2 ASN A 461 -4.761 28.582 -4.750 1.00 56.14 N ATOM 330 N ASP A 462 -9.763 27.818 -2.471 1.00 35.96 N ATOM 331 CA ASP A 462 -10.809 28.058 -1.489 1.00 34.79 C ATOM 332 C ASP A 462 -11.994 27.137 -1.755 1.00 38.60 C ATOM 333 O ASP A 462 -13.139 27.547 -1.632 1.00 37.84 O ATOM 334 CB ASP A 462 -11.258 29.517 -1.519 1.00 34.26 C ATOM 335 CG ASP A 462 -12.015 29.876 -2.818 1.00 45.18 C ATOM 336 OD1 ASP A 462 -11.871 29.159 -3.843 1.00 39.01 O ATOM 337 OD2 ASP A 462 -12.773 30.871 -2.809 1.00 45.24 O ATOM 338 N CYS A 463 -11.705 25.898 -2.125 1.00 34.84 N ATOM 339 CA CYS A 463 -12.733 24.939 -2.493 1.00 37.62 C ATOM 340 C CYS A 463 -13.621 24.666 -1.260 1.00 44.85 C ATOM 341 O CYS A 463 -13.141 24.717 -0.124 1.00 42.34 O ATOM 342 CB CYS A 463 -12.094 23.635 -3.037 1.00 33.66 C ATOM 343 SG CYS A 463 -11.187 23.738 -4.670 1.00 30.95 S ATOM 344 N ILE A 464 -14.907 24.384 -1.486 1.00 42.00 N ATOM 345 CA ILE A 464 -15.834 24.067 -0.394 1.00 35.25 C ATOM 346 C ILE A 464 -15.596 22.644 0.115 1.00 43.54 C ATOM 347 O ILE A 464 -15.732 21.670 -0.644 1.00 38.28 O ATOM 348 CB ILE A 464 -17.310 24.214 -0.853 1.00 41.13 C ATOM 349 CG1 ILE A 464 -17.607 25.657 -1.264 1.00 41.41 C ATOM 350 CG2 ILE A 464 -18.286 23.810 0.257 1.00 40.19 C ATOM 351 CD1 ILE A 464 -18.667 25.715 -2.358 1.00 44.91 C ATOM 352 N ILE A 465 -15.241 22.502 1.393 1.00 40.82 N ATOM 353 CA ILE A 465 -15.007 21.154 1.922 1.00 42.36 C ATOM 354 C ILE A 465 -16.234 20.641 2.687 1.00 41.81 C ATOM 355 O ILE A 465 -16.580 21.171 3.717 1.00 41.80 O ATOM 356 CB ILE A 465 -13.764 21.100 2.854 1.00 41.54 C ATOM 357 CG1 ILE A 465 -12.523 21.667 2.144 1.00 36.74 C ATOM 358 CG2 ILE A 465 -13.507 19.661 3.302 1.00 45.27 C ATOM 359 CD1 ILE A 465 -12.193 20.992 0.778 1.00 34.29 C ATOM 360 N ASP A 466 -16.903 19.620 2.164 1.00 46.39 N ATOM 361 CA ASP A 466 -17.968 18.960 2.917 1.00 47.41 C ATOM 362 C ASP A 466 -17.949 17.489 2.606 1.00 53.19 C ATOM 363 O ASP A 466 -17.111 17.035 1.822 1.00 51.15 O ATOM 364 CB ASP A 466 -19.345 19.575 2.621 1.00 51.08 C ATOM 365 CG ASP A 466 -19.789 19.408 1.170 1.00 53.07 C ATOM 366 OD1 ASP A 466 -19.275 18.529 0.422 1.00 57.51 O ATOM 367 OD2 ASP A 466 -20.668 20.201 0.764 1.00 60.12 O ATOM 368 N LYS A 467 -18.880 16.746 3.195 1.00 52.53 N ATOM 369 CA LYS A 467 -18.752 15.304 3.205 1.00 52.69 C ATOM 370 C LYS A 467 -18.677 14.740 1.801 1.00 56.29 C ATOM 371 O LYS A 467 -17.875 13.847 1.538 1.00 62.49 O ATOM 372 CB LYS A 467 -19.898 14.655 3.984 1.00 59.53 C ATOM 373 CG LYS A 467 -19.926 13.138 3.837 1.00 61.72 C ATOM 374 CD LYS A 467 -20.815 12.466 4.878 1.00 69.56 C ATOM 375 CE LYS A 467 -20.580 10.957 4.879 1.00 69.72 C ATOM 376 NZ LYS A 467 -21.105 10.327 3.631 1.00 73.85 N ATOM 377 N ILE A 468 -19.486 15.263 0.889 1.00 59.51 N ATOM 378 CA ILE A 468 -19.493 14.733 -0.469 1.00 60.84 C ATOM 379 C ILE A 468 -18.335 15.266 -1.326 1.00 61.41 C ATOM 380 O ILE A 468 -17.939 14.627 -2.296 1.00 61.68 O ATOM 381 CB ILE A 468 -20.817 15.047 -1.196 1.00 65.37 C ATOM 382 CG1 ILE A 468 -20.989 16.555 -1.386 1.00 64.87 C ATOM 383 CG2 ILE A 468 -21.999 14.482 -0.415 1.00 70.04 C ATOM 384 CD1 ILE A 468 -22.017 16.913 -2.416 1.00 58.51 C ATOM 385 N ARG A 469 -17.799 16.429 -0.964 1.00 54.08 N ATOM 386 CA ARG A 469 -16.780 17.076 -1.782 1.00 55.80 C ATOM 387 C ARG A 469 -15.354 16.991 -1.240 1.00 52.19 C ATOM 388 O ARG A 469 -14.400 17.178 -2.004 1.00 50.68 O ATOM 389 CB ARG A 469 -17.156 18.545 -1.993 1.00 51.68 C ATOM 390 CG ARG A 469 -18.329 18.715 -2.966 1.00 49.16 C ATOM 391 CD ARG A 469 -18.670 20.176 -3.165 1.00 49.99 C ATOM 392 NE ARG A 469 -19.534 20.711 -2.118 1.00 44.11 N ATOM 393 CZ ARG A 469 -20.156 21.887 -2.213 1.00 47.70 C ATOM 394 NH1 ARG A 469 -20.006 22.619 -3.309 1.00 38.49 N ATOM 395 NH2 ARG A 469 -20.931 22.328 -1.226 1.00 43.69 N ATOM 396 N ARG A 470 -15.205 16.674 0.048 1.00 49.23 N ATOM 397 CA ARG A 470 -13.895 16.678 0.711 1.00 40.14 C ATOM 398 C ARG A 470 -12.863 15.795 0.003 1.00 38.97 C ATOM 399 O ARG A 470 -11.673 15.913 0.246 1.00 42.21 O ATOM 400 CB ARG A 470 -14.039 16.241 2.169 1.00 45.65 C ATOM 401 CG ARG A 470 -14.379 14.766 2.342 1.00 48.12 C ATOM 402 CD ARG A 470 -14.746 14.400 3.803 1.00 48.18 C ATOM 403 NE ARG A 470 -14.987 12.965 3.865 1.00 52.40 N ATOM 404 CZ ARG A 470 -15.758 12.366 4.759 1.00 53.52 C ATOM 405 NH1 ARG A 470 -16.373 13.071 5.703 1.00 49.06 N ATOM 406 NH2 ARG A 470 -15.905 11.051 4.698 1.00 53.37 N ATOM 407 N LYS A 471 -13.316 14.922 -0.885 1.00 36.13 N ATOM 408 CA LYS A 471 -12.425 14.093 -1.658 1.00 36.53 C ATOM 409 C LYS A 471 -11.934 14.812 -2.932 1.00 43.94 C ATOM 410 O LYS A 471 -10.967 14.394 -3.568 1.00 40.59 O ATOM 411 CB LYS A 471 -13.146 12.798 -2.020 1.00 50.27 C ATOM 412 CG LYS A 471 -12.313 11.762 -2.751 1.00 57.38 C ATOM 413 CD LYS A 471 -13.037 10.402 -2.791 1.00 63.42 C ATOM 414 CE LYS A 471 -13.904 10.165 -1.549 1.00 52.09 C ATOM 415 NZ LYS A 471 -14.400 8.743 -1.463 1.00 58.99 N ATOM 416 N ASN A 472 -12.595 15.901 -3.303 1.00 39.38 N ATOM 417 CA ASN A 472 -12.232 16.604 -4.533 1.00 37.65 C ATOM 418 C ASN A 472 -10.878 17.288 -4.446 1.00 35.25 C ATOM 419 O ASN A 472 -10.095 17.229 -5.387 1.00 41.49 O ATOM 420 CB ASN A 472 -13.300 17.647 -4.894 1.00 37.32 C ATOM 421 CG ASN A 472 -14.574 17.017 -5.451 1.00 46.14 C ATOM 422 OD1 ASN A 472 -14.765 15.793 -5.384 1.00 41.66 O ATOM 423 ND2 ASN A 472 -15.448 17.858 -6.023 1.00 43.17 N ATOM 424 N CYS A 473 -10.624 17.955 -3.334 1.00 30.02 N ATOM 425 CA CYS A 473 -9.452 18.797 -3.215 1.00 35.88 C ATOM 426 C CYS A 473 -8.674 18.553 -1.935 1.00 29.77 C ATOM 427 O CYS A 473 -8.889 19.213 -0.944 1.00 31.53 O ATOM 428 CB CYS A 473 -9.832 20.275 -3.285 1.00 35.35 C ATOM 429 SG CYS A 473 -8.385 21.283 -3.687 1.00 36.31 S ATOM 430 N PRO A 474 -7.778 17.568 -1.966 1.00 35.27 N ATOM 431 CA PRO A 474 -6.854 17.305 -0.855 1.00 32.20 C ATOM 432 C PRO A 474 -6.140 18.589 -0.430 1.00 30.13 C ATOM 433 O PRO A 474 -6.014 18.844 0.760 1.00 34.15 O ATOM 434 CB PRO A 474 -5.863 16.305 -1.440 1.00 32.88 C ATOM 435 CG PRO A 474 -6.559 15.718 -2.676 1.00 34.71 C ATOM 436 CD PRO A 474 -7.552 16.706 -3.147 1.00 33.76 C ATOM 437 N ALA A 475 -5.724 19.412 -1.392 1.00 32.61 N ATOM 438 CA ALA A 475 -5.018 20.669 -1.089 1.00 33.34 C ATOM 439 C ALA A 475 -5.775 21.595 -0.162 1.00 26.71 C ATOM 440 O ALA A 475 -5.209 22.138 0.788 1.00 29.26 O ATOM 441 CB ALA A 475 -4.694 21.418 -2.383 1.00 26.92 C ATOM 442 N CYS A 476 -7.049 21.813 -0.463 1.00 30.52 N ATOM 443 CA CYS A 476 -7.840 22.752 0.327 1.00 30.47 C ATOM 444 C CYS A 476 -8.224 22.067 1.624 1.00 31.62 C ATOM 445 O CYS A 476 -8.229 22.681 2.664 1.00 30.65 O ATOM 446 CB CYS A 476 -9.077 23.248 -0.434 1.00 32.44 C ATOM 447 SG CYS A 476 -8.718 24.392 -1.839 1.00 30.88 S ATOM 448 N ARG A 477 -8.514 20.772 1.565 1.00 35.68 N ATOM 449 CA ARG A 477 -8.809 20.037 2.788 1.00 33.82 C ATOM 450 C ARG A 477 -7.624 20.139 3.777 1.00 28.67 C ATOM 451 O ARG A 477 -7.801 20.437 4.932 1.00 30.85 O ATOM 452 CB ARG A 477 -9.114 18.569 2.463 1.00 35.47 C ATOM 453 CG ARG A 477 -9.822 17.840 3.610 1.00 41.80 C ATOM 454 CD ARG A 477 -9.872 16.342 3.383 1.00 36.97 C ATOM 455 NE ARG A 477 -10.703 15.634 4.355 1.00 36.59 N ATOM 456 CZ ARG A 477 -10.974 14.331 4.260 1.00 41.37 C ATOM 457 NH1 ARG A 477 -10.479 13.638 3.250 1.00 41.98 N ATOM 458 NH2 ARG A 477 -11.740 13.721 5.154 1.00 44.62 N ATOM 459 N TYR A 478 -6.414 19.897 3.302 1.00 30.67 N ATOM 460 CA TYR A 478 -5.247 19.986 4.166 1.00 30.40 C ATOM 461 C TYR A 478 -5.095 21.403 4.678 1.00 28.74 C ATOM 462 O TYR A 478 -4.810 21.623 5.845 1.00 32.93 O ATOM 463 CB TYR A 478 -3.993 19.552 3.416 1.00 35.08 C ATOM 464 CG TYR A 478 -2.766 19.546 4.287 1.00 31.39 C ATOM 465 CD1 TYR A 478 -2.663 18.666 5.355 1.00 27.77 C ATOM 466 CD2 TYR A 478 -1.705 20.409 4.032 1.00 32.19 C ATOM 467 CE1 TYR A 478 -1.539 18.634 6.156 1.00 31.36 C ATOM 468 CE2 TYR A 478 -0.555 20.400 4.853 1.00 33.22 C ATOM 469 CZ TYR A 478 -0.477 19.501 5.906 1.00 36.23 C ATOM 470 OH TYR A 478 0.632 19.487 6.740 1.00 34.13 O ATOM 471 N ARG A 479 -5.364 22.363 3.815 1.00 26.03 N ATOM 472 CA ARG A 479 -5.298 23.765 4.204 1.00 28.29 C ATOM 473 C ARG A 479 -6.309 24.064 5.296 1.00 29.98 C ATOM 474 O ARG A 479 -5.981 24.741 6.265 1.00 33.46 O ATOM 475 CB ARG A 479 -5.527 24.698 2.994 1.00 30.67 C ATOM 476 CG ARG A 479 -5.482 26.211 3.377 1.00 35.22 C ATOM 477 CD ARG A 479 -5.871 27.131 2.211 1.00 36.27 C ATOM 478 NE ARG A 479 -7.049 26.589 1.551 1.00 46.13 N ATOM 479 CZ ARG A 479 -8.287 26.696 2.029 1.00 57.01 C ATOM 480 NH1 ARG A 479 -8.513 27.373 3.149 1.00 61.02 N ATOM 481 NH2 ARG A 479 -9.298 26.130 1.384 1.00 50.21 N ATOM 482 N LYS A 480 -7.528 23.553 5.178 1.00 30.70 N ATOM 483 CA LYS A 480 -8.500 23.801 6.254 1.00 34.19 C ATOM 484 C LYS A 480 -8.037 23.128 7.548 1.00 33.88 C ATOM 485 O LYS A 480 -8.190 23.684 8.607 1.00 36.83 O ATOM 486 CB LYS A 480 -9.897 23.314 5.852 1.00 38.11 C ATOM 487 CG LYS A 480 -10.631 24.249 4.901 1.00 41.13 C ATOM 488 CD LYS A 480 -12.123 23.896 4.778 1.00 44.78 C ATOM 489 CE LYS A 480 -12.934 24.299 6.025 1.00 46.81 C ATOM 490 NZ LYS A 480 -14.395 23.935 5.897 1.00 45.22 N ATOM 491 N CYS A 481 -7.439 21.944 7.464 1.00 33.37 N ATOM 492 CA CYS A 481 -6.902 21.309 8.674 1.00 33.39 C ATOM 493 C CYS A 481 -5.879 22.188 9.356 1.00 31.59 C ATOM 494 O CYS A 481 -5.986 22.415 10.543 1.00 34.32 O ATOM 495 CB CYS A 481 -6.249 19.956 8.363 1.00 32.94 C ATOM 496 SG CYS A 481 -7.391 18.699 7.798 1.00 38.45 S ATOM 497 N LEU A 482 -4.870 22.657 8.616 1.00 29.97 N ATOM 498 CA LEU A 482 -3.861 23.552 9.205 1.00 33.96 C ATOM 499 C LEU A 482 -4.482 24.850 9.710 1.00 33.92 C ATOM 500 O LEU A 482 -4.110 25.353 10.750 1.00 31.37 O ATOM 501 CB LEU A 482 -2.760 23.914 8.190 1.00 29.34 C ATOM 502 CG LEU A 482 -1.906 22.763 7.687 1.00 31.22 C ATOM 503 CD1 LEU A 482 -0.953 23.302 6.702 1.00 32.57 C ATOM 504 CD2 LEU A 482 -1.168 22.034 8.836 1.00 27.14 C ATOM 505 N GLN A 483 -5.399 25.416 8.941 1.00 32.77 N ATOM 506 CA GLN A 483 -6.007 26.670 9.367 1.00 39.04 C ATOM 507 C GLN A 483 -6.800 26.477 10.668 1.00 38.38 C ATOM 508 O GLN A 483 -6.847 27.353 11.503 1.00 42.63 O ATOM 509 CB GLN A 483 -6.917 27.220 8.271 1.00 39.22 C ATOM 510 CG GLN A 483 -7.487 28.574 8.595 1.00 45.89 C ATOM 511 CD GLN A 483 -6.507 29.693 8.334 1.00 46.61 C ATOM 512 OE1 GLN A 483 -6.231 30.030 7.181 1.00 55.01 O ATOM 513 NE2 GLN A 483 -5.965 30.274 9.403 1.00 52.78 N ATOM 514 N ALA A 484 -7.401 25.307 10.842 1.00 37.74 N ATOM 515 CA ALA A 484 -8.157 25.022 12.056 1.00 36.08 C ATOM 516 C ALA A 484 -7.250 24.775 13.264 1.00 37.81 C ATOM 517 O ALA A 484 -7.731 24.761 14.384 1.00 38.66 O ATOM 518 CB ALA A 484 -9.077 23.810 11.834 1.00 38.82 C ATOM 519 N GLY A 485 -5.945 24.588 13.044 1.00 38.26 N ATOM 520 CA GLY A 485 -4.992 24.452 14.151 1.00 32.03 C ATOM 521 C GLY A 485 -4.569 23.018 14.437 1.00 31.43 C ATOM 522 O GLY A 485 -3.927 22.719 15.444 1.00 35.77 O ATOM 523 N MET A 486 -4.909 22.108 13.545 1.00 33.94 N ATOM 524 CA MET A 486 -4.570 20.715 13.772 1.00 35.28 C ATOM 525 C MET A 486 -3.067 20.516 13.831 1.00 35.82 C ATOM 526 O MET A 486 -2.304 21.111 13.025 1.00 32.01 O ATOM 527 CB MET A 486 -5.168 19.829 12.674 1.00 32.86 C ATOM 528 CG MET A 486 -6.654 19.682 12.786 1.00 36.32 C ATOM 529 SD MET A 486 -7.388 18.667 11.489 1.00 39.07 S ATOM 530 CE MET A 486 -6.991 16.987 12.008 1.00 35.56 C ATOM 531 N ASN A 487 -2.640 19.675 14.765 1.00 31.88 N ATOM 532 CA ASN A 487 -1.212 19.371 14.907 1.00 37.55 C ATOM 533 C ASN A 487 -1.029 18.076 15.682 1.00 38.80 C ATOM 534 O ASN A 487 -1.786 17.820 16.607 1.00 41.23 O ATOM 535 CB ASN A 487 -0.478 20.521 15.597 1.00 40.02 C ATOM 536 CG ASN A 487 -0.962 20.759 17.031 1.00 44.05 C ATOM 537 OD1 ASN A 487 -2.085 21.225 17.261 1.00 45.69 O ATOM 538 ND2 ASN A 487 -0.112 20.434 17.996 1.00 46.12 N ATOM 539 N LEU A 488 -0.042 17.268 15.301 1.00 40.55 N ATOM 540 CA LEU A 488 0.107 15.921 15.865 1.00 50.48 C ATOM 541 C LEU A 488 0.390 15.962 17.353 1.00 56.23 C ATOM 542 O LEU A 488 -0.023 15.074 18.089 1.00 60.64 O ATOM 543 CB LEU A 488 1.227 15.134 15.180 1.00 49.45 C ATOM 544 CG LEU A 488 1.019 14.592 13.769 1.00 55.62 C ATOM 545 CD1 LEU A 488 1.990 13.446 13.505 1.00 55.95 C ATOM 546 CD2 LEU A 488 -0.420 14.155 13.565 1.00 51.00 C ATOM 547 N GLU A 489 1.090 17.009 17.777 1.00 54.78 N ATOM 548 CA GLU A 489 1.621 17.128 19.119 1.00 57.90 C ATOM 549 C GLU A 489 0.578 17.659 20.110 1.00 64.43 C ATOM 550 O GLU A 489 0.901 17.900 21.270 1.00 69.99 O ATOM 551 CB GLU A 489 2.838 18.059 19.096 1.00 61.19 C ATOM 552 CG GLU A 489 3.998 17.587 18.180 1.00 66.65 C ATOM 553 CD GLU A 489 3.743 17.805 16.655 1.00 73.70 C ATOM 554 OE1 GLU A 489 2.773 18.525 16.272 1.00 56.68 O ATOM 555 OE2 GLU A 489 4.524 17.245 15.833 1.00 67.06 O ATOM 556 N ALA A 490 -0.666 17.844 19.659 1.00 57.41 N ATOM 557 CA ALA A 490 -1.678 18.562 20.454 1.00 58.42 C ATOM 558 C ALA A 490 -2.083 17.873 21.768 1.00 68.88 C ATOM 559 O ALA A 490 -2.107 18.527 22.817 1.00 74.48 O ATOM 560 CB ALA A 490 -2.917 18.810 19.622 1.00 46.48 C ATOM 561 N ARG A 491 -2.414 16.581 21.717 1.00 64.23 N ATOM 562 CA ARG A 491 -2.817 15.846 22.925 1.00 66.88 C ATOM 563 C ARG A 491 -1.697 15.852 23.962 1.00 71.34 C ATOM 564 O ARG A 491 -1.956 15.963 25.162 1.00 76.87 O ATOM 565 CB ARG A 491 -3.214 14.400 22.599 1.00 62.40 C ATOM 566 CG ARG A 491 -3.904 13.642 23.750 1.00 62.41 C ATOM 567 CD ARG A 491 -3.867 12.109 23.538 1.00 61.74 C ATOM 568 NE ARG A 491 -4.809 11.416 24.416 1.00 61.63 N ATOM 569 CZ ARG A 491 -5.139 10.126 24.330 1.00 61.26 C ATOM 570 NH1 ARG A 491 -4.593 9.339 23.403 1.00 52.78 N ATOM 571 NH2 ARG A 491 -6.027 9.622 25.186 1.00 55.65 N ATOM 572 N LYS A 492 -0.457 15.756 23.488 1.00 73.74 N ATOM 573 CA LYS A 492 0.740 15.694 24.332 1.00 75.60 C ATOM 574 C LYS A 492 0.896 16.892 25.307 1.00 83.53 C ATOM 575 O LYS A 492 1.826 16.930 26.120 1.00 88.34 O ATOM 576 CB LYS A 492 1.973 15.577 23.417 1.00 82.56 C ATOM 577 CG LYS A 492 3.299 15.222 24.084 1.00 86.22 C ATOM 578 CD LYS A 492 4.464 15.619 23.184 1.00 82.54 C ATOM 579 CE LYS A 492 4.294 17.044 22.665 1.00 80.64 C ATOM 580 NZ LYS A 492 5.300 17.379 21.612 1.00 83.40 N ATOM 581 N THR A 493 -0.015 17.863 25.239 1.00 84.86 N ATOM 582 CA THR A 493 0.025 19.041 26.120 1.00 87.04 C ATOM 583 C THR A 493 -1.370 19.587 26.483 1.00 84.70 C ATOM 584 O THR A 493 -1.909 20.323 25.659 1.00 77.12 O ATOM 585 CB THR A 493 0.813 20.216 25.455 1.00 88.40 C ATOM 586 OG1 THR A 493 0.228 20.523 24.181 1.00 83.27 O ATOM 587 CG2 THR A 493 2.284 19.861 25.249 1.00 89.92 C ATOM 588 N LYS A 494 -2.016 19.295 27.629 1.00 83.05 N ATOM 589 CA LYS A 494 -1.777 18.327 28.732 1.00 85.20 C ATOM 590 C LYS A 494 -0.777 18.784 29.829 1.00 88.15 C ATOM 591 O LYS A 494 -0.830 18.269 30.956 1.00 85.63 O ATOM 592 CB LYS A 494 -1.381 16.932 28.215 1.00 83.15 C ATOM 593 CG LYS A 494 -1.396 15.904 29.339 1.00 81.91 C ATOM 594 CD LYS A 494 -0.846 14.547 29.003 1.00 81.92 C ATOM 595 CE LYS A 494 -1.050 13.646 30.217 1.00 85.27 C ATOM 596 NZ LYS A 494 -2.145 14.166 31.104 1.00 86.30 N ATOM 597 N LYS A 495 0.082 19.765 29.552 1.00 88.11 N ATOM 598 CA LYS A 495 0.887 20.369 30.624 1.00 87.49 C ATOM 599 C LYS A 495 1.314 21.794 30.288 1.00 88.31 C ATOM 600 O LYS A 495 0.546 22.571 29.714 1.00 86.28 O ATOM 601 CB LYS A 495 2.120 19.512 30.923 1.00 87.09 C ATOM 602 CG LYS A 495 2.883 19.049 29.684 1.00 89.56 C ATOM 603 CD LYS A 495 4.377 18.956 29.970 1.00 92.78 C ATOM 604 CE LYS A 495 5.185 19.025 28.692 1.00 85.08 C ATOM 605 NZ LYS A 495 5.102 20.397 28.122 1.00 84.48 N TER 606 LYS A 495 ATOM 607 N LYS B 419 -2.451 15.507 -31.456 1.00 65.27 N ATOM 608 CA LYS B 419 -1.484 15.174 -30.413 1.00 72.29 C ATOM 609 C LYS B 419 -2.122 15.002 -29.018 1.00 72.72 C ATOM 610 O LYS B 419 -1.825 14.030 -28.309 1.00 72.72 O ATOM 611 CB LYS B 419 -0.386 16.252 -30.346 1.00 71.21 C ATOM 612 CG LYS B 419 0.994 15.800 -30.819 1.00 75.47 C ATOM 613 CD LYS B 419 1.860 16.994 -31.229 1.00 73.67 C ATOM 614 CE LYS B 419 3.236 16.554 -31.729 1.00 75.46 C ATOM 615 NZ LYS B 419 3.219 15.177 -32.296 1.00 73.73 N ATOM 616 N LEU B 420 -2.998 15.932 -28.628 1.00 69.61 N ATOM 617 CA LEU B 420 -3.423 16.048 -27.219 1.00 63.89 C ATOM 618 C LEU B 420 -4.924 15.875 -26.943 1.00 60.16 C ATOM 619 O LEU B 420 -5.779 16.261 -27.749 1.00 61.73 O ATOM 620 CB LEU B 420 -2.980 17.407 -26.674 1.00 61.60 C ATOM 621 CG LEU B 420 -1.490 17.706 -26.843 1.00 65.90 C ATOM 622 CD1 LEU B 420 -1.177 19.100 -26.348 1.00 60.94 C ATOM 623 CD2 LEU B 420 -0.637 16.665 -26.110 1.00 64.01 C ATOM 624 N CYS B 421 -5.231 15.289 -25.788 1.00 59.42 N ATOM 625 CA CYS B 421 -6.608 15.156 -25.311 1.00 54.79 C ATOM 626 C CYS B 421 -7.282 16.522 -25.219 1.00 51.06 C ATOM 627 O CYS B 421 -6.739 17.462 -24.654 1.00 54.24 O ATOM 628 CB CYS B 421 -6.641 14.454 -23.940 1.00 55.47 C ATOM 629 SG CYS B 421 -8.290 14.338 -23.166 1.00 48.18 S ATOM 630 N LEU B 422 -8.471 16.629 -25.781 1.00 51.58 N ATOM 631 CA LEU B 422 -9.161 17.899 -25.826 1.00 49.91 C ATOM 632 C LEU B 422 -9.794 18.241 -24.474 1.00 50.91 C ATOM 633 O LEU B 422 -10.315 19.334 -24.301 1.00 50.68 O ATOM 634 CB LEU B 422 -10.225 17.891 -26.935 1.00 53.54 C ATOM 635 CG LEU B 422 -9.767 18.380 -28.321 1.00 58.86 C ATOM 636 CD1 LEU B 422 -8.592 17.563 -28.834 1.00 59.06 C ATOM 637 CD2 LEU B 422 -10.903 18.344 -29.332 1.00 58.09 C ATOM 638 N VAL B 423 -9.754 17.305 -23.529 1.00 46.50 N ATOM 639 CA VAL B 423 -10.319 17.533 -22.209 1.00 44.78 C ATOM 640 C VAL B 423 -9.227 17.876 -21.193 1.00 49.81 C ATOM 641 O VAL B 423 -9.348 18.857 -20.475 1.00 46.66 O ATOM 642 CB VAL B 423 -11.130 16.316 -21.721 1.00 45.38 C ATOM 643 CG1 VAL B 423 -11.521 16.469 -20.244 1.00 47.23 C ATOM 644 CG2 VAL B 423 -12.369 16.167 -22.570 1.00 46.74 C ATOM 645 N CYS B 424 -8.152 17.096 -21.150 1.00 47.96 N ATOM 646 CA CYS B 424 -7.119 17.336 -20.154 1.00 46.46 C ATOM 647 C CYS B 424 -5.742 17.679 -20.715 1.00 53.12 C ATOM 648 O CYS B 424 -4.813 17.911 -19.940 1.00 53.81 O ATOM 649 CB CYS B 424 -6.975 16.114 -19.255 1.00 48.15 C ATOM 650 SG CYS B 424 -6.257 14.693 -20.082 1.00 48.94 S ATOM 651 N SER B 425 -5.602 17.695 -22.042 1.00 54.95 N ATOM 652 CA SER B 425 -4.317 17.974 -22.696 1.00 53.18 C ATOM 653 C SER B 425 -3.234 16.920 -22.437 1.00 55.90 C ATOM 654 O SER B 425 -2.073 17.127 -22.791 1.00 60.50 O ATOM 655 CB SER B 425 -3.787 19.353 -22.281 1.00 56.78 C ATOM 656 OG SER B 425 -4.766 20.358 -22.509 1.00 59.87 O ATOM 657 N ASP B 426 -3.602 15.789 -21.841 1.00 51.79 N ATOM 658 CA ASP B 426 -2.693 14.650 -21.792 1.00 56.56 C ATOM 659 C ASP B 426 -2.510 14.146 -23.228 1.00 61.85 C ATOM 660 O ASP B 426 -3.200 14.603 -24.137 1.00 54.15 O ATOM 661 CB ASP B 426 -3.239 13.548 -20.886 1.00 51.53 C ATOM 662 CG ASP B 426 -2.203 12.528 -20.513 1.00 59.41 C ATOM 663 OD1 ASP B 426 -1.055 12.644 -21.006 1.00 64.32 O ATOM 664 OD2 ASP B 426 -2.537 11.609 -19.725 1.00 61.42 O ATOM 665 N GLU B 427 -1.594 13.207 -23.441 1.00 65.48 N ATOM 666 CA GLU B 427 -1.388 12.698 -24.790 1.00 68.33 C ATOM 667 C GLU B 427 -2.579 11.834 -25.209 1.00 64.36 C ATOM 668 O GLU B 427 -2.971 10.899 -24.503 1.00 61.56 O ATOM 669 CB GLU B 427 -0.070 11.925 -24.887 1.00 69.87 C ATOM 670 CG GLU B 427 1.173 12.826 -24.852 1.00 71.64 C ATOM 671 CD GLU B 427 2.438 12.113 -25.319 1.00 84.01 C ATOM 672 OE1 GLU B 427 2.327 10.976 -25.840 1.00 84.54 O ATOM 673 OE2 GLU B 427 3.543 12.689 -25.167 1.00 82.64 O ATOM 674 N ALA B 428 -3.166 12.182 -26.352 1.00 62.05 N ATOM 675 CA ALA B 428 -4.366 11.506 -26.839 1.00 66.15 C ATOM 676 C ALA B 428 -4.052 10.115 -27.370 1.00 66.77 C ATOM 677 O ALA B 428 -2.921 9.825 -27.752 1.00 69.32 O ATOM 678 CB ALA B 428 -5.039 12.335 -27.914 1.00 60.60 C ATOM 679 N SER B 429 -5.059 9.254 -27.387 1.00 62.68 N ATOM 680 CA SER B 429 -4.864 7.901 -27.867 1.00 60.92 C ATOM 681 C SER B 429 -5.642 7.681 -29.157 1.00 67.01 C ATOM 682 O SER B 429 -5.319 6.782 -29.929 1.00 71.65 O ATOM 683 CB SER B 429 -5.280 6.883 -26.802 1.00 60.59 C ATOM 684 OG SER B 429 -6.677 6.915 -26.573 1.00 59.18 O ATOM 685 N GLY B 430 -6.658 8.510 -29.396 1.00 62.29 N ATOM 686 CA GLY B 430 -7.452 8.416 -30.611 1.00 58.09 C ATOM 687 C GLY B 430 -8.765 9.175 -30.510 1.00 59.40 C ATOM 688 O GLY B 430 -8.949 9.984 -29.620 1.00 60.65 O ATOM 689 N CYS B 431 -9.689 8.920 -31.421 1.00 53.32 N ATOM 690 CA CYS B 431 -10.952 9.639 -31.418 1.00 56.90 C ATOM 691 C CYS B 431 -12.054 8.819 -30.740 1.00 60.21 C ATOM 692 O CYS B 431 -12.726 7.997 -31.383 1.00 61.40 O ATOM 693 CB CYS B 431 -11.349 10.007 -32.847 1.00 57.52 C ATOM 694 SG CYS B 431 -13.001 10.699 -32.996 1.00 73.32 S ATOM 695 N HIS B 432 -12.233 9.059 -29.442 1.00 53.39 N ATOM 696 CA HIS B 432 -13.151 8.286 -28.604 1.00 58.43 C ATOM 697 C HIS B 432 -14.451 9.015 -28.392 1.00 58.80 C ATOM 698 O HIS B 432 -14.452 10.187 -28.020 1.00 61.68 O ATOM 699 CB HIS B 432 -12.523 7.991 -27.247 1.00 56.81 C ATOM 700 CG HIS B 432 -11.139 7.438 -27.338 1.00 58.08 C ATOM 701 ND1 HIS B 432 -10.861 6.228 -27.935 1.00 58.97 N ATOM 702 CD2 HIS B 432 -9.954 7.932 -26.912 1.00 56.67 C ATOM 703 CE1 HIS B 432 -9.561 5.997 -27.867 1.00 60.58 C ATOM 704 NE2 HIS B 432 -8.989 7.017 -27.254 1.00 62.56 N ATOM 705 N TYR B 433 -15.558 8.323 -28.629 1.00 58.59 N ATOM 706 CA TYR B 433 -16.883 8.904 -28.455 1.00 59.26 C ATOM 707 C TYR B 433 -17.057 10.231 -29.206 1.00 61.19 C ATOM 708 O TYR B 433 -17.818 11.100 -28.774 1.00 63.73 O ATOM 709 CB TYR B 433 -17.164 9.094 -26.966 1.00 57.13 C ATOM 710 CG TYR B 433 -17.010 7.817 -26.188 1.00 55.98 C ATOM 711 CD1 TYR B 433 -17.578 6.636 -26.651 1.00 61.02 C ATOM 712 CD2 TYR B 433 -16.280 7.777 -25.008 1.00 52.57 C ATOM 713 CE1 TYR B 433 -17.443 5.452 -25.952 1.00 58.52 C ATOM 714 CE2 TYR B 433 -16.136 6.596 -24.300 1.00 56.92 C ATOM 715 CZ TYR B 433 -16.720 5.435 -24.779 1.00 57.97 C ATOM 716 OH TYR B 433 -16.590 4.254 -24.089 1.00 58.49 O ATOM 717 N GLY B 434 -16.335 10.382 -30.314 1.00 61.40 N ATOM 718 CA GLY B 434 -16.514 11.511 -31.215 1.00 61.04 C ATOM 719 C GLY B 434 -15.487 12.613 -31.063 1.00 61.75 C ATOM 720 O GLY B 434 -15.508 13.602 -31.801 1.00 64.12 O ATOM 721 N VAL B 435 -14.577 12.441 -30.106 1.00 62.89 N ATOM 722 CA VAL B 435 -13.647 13.497 -29.734 1.00 56.39 C ATOM 723 C VAL B 435 -12.258 12.948 -29.476 1.00 54.33 C ATOM 724 O VAL B 435 -12.111 11.884 -28.887 1.00 55.25 O ATOM 725 CB VAL B 435 -14.141 14.239 -28.474 1.00 54.73 C ATOM 726 CG1 VAL B 435 -13.078 15.178 -27.946 1.00 56.44 C ATOM 727 CG2 VAL B 435 -15.431 14.990 -28.766 1.00 56.34 C ATOM 728 N LEU B 436 -11.241 13.680 -29.907 1.00 51.40 N ATOM 729 CA LEU B 436 -9.863 13.304 -29.641 1.00 51.00 C ATOM 730 C LEU B 436 -9.563 13.370 -28.140 1.00 58.81 C ATOM 731 O LEU B 436 -9.484 14.460 -27.559 1.00 54.56 O ATOM 732 CB LEU B 436 -8.920 14.219 -30.417 1.00 47.81 C ATOM 733 CG LEU B 436 -7.417 13.979 -30.294 1.00 58.08 C ATOM 734 CD1 LEU B 436 -7.052 12.612 -30.865 1.00 60.66 C ATOM 735 CD2 LEU B 436 -6.636 15.094 -30.997 1.00 56.50 C ATOM 736 N THR B 437 -9.415 12.211 -27.500 1.00 53.48 N ATOM 737 CA THR B 437 -9.162 12.187 -26.064 1.00 53.73 C ATOM 738 C THR B 437 -8.076 11.202 -25.673 1.00 58.29 C ATOM 739 O THR B 437 -7.650 10.380 -26.492 1.00 56.71 O ATOM 740 CB THR B 437 -10.418 11.813 -25.275 1.00 54.41 C ATOM 741 OG1 THR B 437 -10.863 10.518 -25.693 1.00 62.30 O ATOM 742 CG2 THR B 437 -11.529 12.816 -25.492 1.00 55.89 C ATOM 743 N CYS B 438 -7.650 11.286 -24.410 1.00 52.22 N ATOM 744 CA CYS B 438 -6.761 10.299 -23.804 1.00 48.42 C ATOM 745 C CYS B 438 -7.552 9.096 -23.313 1.00 49.62 C ATOM 746 O CYS B 438 -8.787 9.096 -23.345 1.00 49.25 O ATOM 747 CB CYS B 438 -5.981 10.912 -22.639 1.00 52.06 C ATOM 748 SG CYS B 438 -6.973 11.300 -21.124 1.00 47.04 S ATOM 749 N GLY B 439 -6.833 8.086 -22.827 1.00 52.28 N ATOM 750 CA GLY B 439 -7.438 6.896 -22.260 1.00 47.98 C ATOM 751 C GLY B 439 -8.261 7.091 -20.989 1.00 47.46 C ATOM 752 O GLY B 439 -9.384 6.586 -20.898 1.00 47.31 O ATOM 753 N SER B 440 -7.739 7.801 -19.991 1.00 49.06 N ATOM 754 CA SER B 440 -8.535 7.959 -18.770 1.00 47.24 C ATOM 755 C SER B 440 -9.777 8.813 -19.033 1.00 42.77 C ATOM 756 O SER B 440 -10.840 8.530 -18.496 1.00 44.49 O ATOM 757 CB SER B 440 -7.700 8.536 -17.610 1.00 54.35 C ATOM 758 OG SER B 440 -7.286 9.857 -17.834 1.00 55.54 O ATOM 759 N CYS B 441 -9.682 9.815 -19.895 1.00 43.74 N ATOM 760 CA CYS B 441 -10.871 10.627 -20.168 1.00 46.34 C ATOM 761 C CYS B 441 -11.979 9.825 -20.860 1.00 51.38 C ATOM 762 O CYS B 441 -13.175 10.047 -20.585 1.00 48.43 O ATOM 763 CB CYS B 441 -10.504 11.870 -20.983 1.00 48.67 C ATOM 764 SG CYS B 441 -9.718 13.173 -19.951 1.00 46.81 S ATOM 765 N LYS B 442 -11.590 8.872 -21.713 1.00 47.85 N ATOM 766 CA LYS B 442 -12.543 7.951 -22.350 1.00 46.97 C ATOM 767 C LYS B 442 -13.332 7.121 -21.341 1.00 48.15 C ATOM 768 O LYS B 442 -14.569 7.099 -21.351 1.00 49.81 O ATOM 769 CB LYS B 442 -11.809 7.006 -23.317 1.00 49.01 C ATOM 770 CG LYS B 442 -12.689 5.915 -23.916 1.00 56.08 C ATOM 771 CD LYS B 442 -11.919 5.021 -24.908 1.00 57.29 C ATOM 772 CE LYS B 442 -12.818 3.938 -25.523 1.00 63.58 C ATOM 773 NZ LYS B 442 -12.268 3.332 -26.807 1.00 62.27 N ATOM 774 N VAL B 443 -12.618 6.421 -20.472 1.00 44.68 N ATOM 775 CA VAL B 443 -13.275 5.576 -19.489 1.00 45.03 C ATOM 776 C VAL B 443 -14.084 6.416 -18.500 1.00 49.69 C ATOM 777 O VAL B 443 -15.206 6.046 -18.129 1.00 49.31 O ATOM 778 CB VAL B 443 -12.254 4.710 -18.736 1.00 44.66 C ATOM 779 CG1 VAL B 443 -12.939 3.871 -17.694 1.00 47.67 C ATOM 780 CG2 VAL B 443 -11.514 3.809 -19.719 1.00 47.29 C ATOM 781 N PHE B 444 -13.526 7.548 -18.076 1.00 44.98 N ATOM 782 CA PHE B 444 -14.257 8.438 -17.180 1.00 42.82 C ATOM 783 C PHE B 444 -15.592 8.830 -17.802 1.00 44.08 C ATOM 784 O PHE B 444 -16.628 8.758 -17.146 1.00 43.98 O ATOM 785 CB PHE B 444 -13.425 9.681 -16.859 1.00 44.37 C ATOM 786 CG PHE B 444 -14.218 10.800 -16.252 1.00 45.80 C ATOM 787 CD1 PHE B 444 -14.391 10.875 -14.876 1.00 43.27 C ATOM 788 CD2 PHE B 444 -14.790 11.785 -17.055 1.00 43.22 C ATOM 789 CE1 PHE B 444 -15.126 11.911 -14.301 1.00 40.50 C ATOM 790 CE2 PHE B 444 -15.521 12.838 -16.486 1.00 44.59 C ATOM 791 CZ PHE B 444 -15.686 12.897 -15.099 1.00 40.07 C ATOM 792 N PHE B 445 -15.571 9.232 -19.070 1.00 40.73 N ATOM 793 CA PHE B 445 -16.792 9.698 -19.718 1.00 44.97 C ATOM 794 C PHE B 445 -17.850 8.603 -19.779 1.00 52.68 C ATOM 795 O PHE B 445 -19.008 8.832 -19.433 1.00 49.71 O ATOM 796 CB PHE B 445 -16.506 10.199 -21.120 1.00 49.53 C ATOM 797 CG PHE B 445 -17.720 10.727 -21.824 1.00 57.10 C ATOM 798 CD1 PHE B 445 -18.284 11.934 -21.445 1.00 52.41 C ATOM 799 CD2 PHE B 445 -18.306 10.014 -22.859 1.00 53.30 C ATOM 800 CE1 PHE B 445 -19.406 12.421 -22.085 1.00 53.54 C ATOM 801 CE2 PHE B 445 -19.424 10.496 -23.494 1.00 53.07 C ATOM 802 CZ PHE B 445 -19.974 11.700 -23.112 1.00 56.91 C ATOM 803 N LYS B 446 -17.435 7.419 -20.228 1.00 53.19 N ATOM 804 CA LYS B 446 -18.290 6.232 -20.242 1.00 54.53 C ATOM 805 C LYS B 446 -18.956 6.016 -18.900 1.00 54.32 C ATOM 806 O LYS B 446 -20.191 5.956 -18.800 1.00 53.08 O ATOM 807 CB LYS B 446 -17.476 4.981 -20.595 1.00 55.19 C ATOM 808 CG LYS B 446 -18.307 3.695 -20.694 1.00 61.58 C ATOM 809 CD LYS B 446 -19.093 3.641 -22.003 1.00 64.69 C ATOM 810 CE LYS B 446 -19.984 2.417 -22.064 1.00 64.52 C ATOM 811 NZ LYS B 446 -19.189 1.187 -21.885 1.00 70.99 N ATOM 812 N ARG B 447 -18.119 5.893 -17.873 1.00 47.69 N ATOM 813 CA ARG B 447 -18.594 5.640 -16.525 1.00 53.96 C ATOM 814 C ARG B 447 -19.566 6.736 -16.040 1.00 58.84 C ATOM 815 O ARG B 447 -20.558 6.444 -15.368 1.00 59.43 O ATOM 816 CB ARG B 447 -17.391 5.497 -15.579 1.00 60.26 C ATOM 817 CG ARG B 447 -17.739 5.462 -14.099 1.00 71.17 C ATOM 818 CD ARG B 447 -16.484 5.352 -13.208 1.00 77.38 C ATOM 819 NE ARG B 447 -16.683 5.914 -11.866 1.00 79.00 N ATOM 820 CZ ARG B 447 -17.523 5.429 -10.952 1.00 88.05 C ATOM 821 NH1 ARG B 447 -18.267 4.359 -11.213 1.00 87.01 N ATOM 822 NH2 ARG B 447 -17.620 6.016 -9.765 1.00 84.65 N ATOM 823 N ALA B 448 -19.305 7.987 -16.413 1.00 52.95 N ATOM 824 CA ALA B 448 -20.161 9.100 -16.010 1.00 56.28 C ATOM 825 C ALA B 448 -21.551 9.032 -16.653 1.00 57.38 C ATOM 826 O ALA B 448 -22.570 9.174 -15.977 1.00 62.67 O ATOM 827 CB ALA B 448 -19.488 10.438 -16.349 1.00 46.15 C ATOM 828 N VAL B 449 -21.592 8.833 -17.961 1.00 54.67 N ATOM 829 CA VAL B 449 -22.866 8.781 -18.672 1.00 60.35 C ATOM 830 C VAL B 449 -23.708 7.567 -18.265 1.00 66.41 C ATOM 831 O VAL B 449 -24.923 7.676 -18.103 1.00 68.06 O ATOM 832 CB VAL B 449 -22.650 8.758 -20.189 1.00 57.30 C ATOM 833 CG1 VAL B 449 -23.983 8.838 -20.912 1.00 65.90 C ATOM 834 CG2 VAL B 449 -21.782 9.916 -20.601 1.00 54.53 C ATOM 835 N GLU B 450 -23.062 6.415 -18.095 1.00 64.75 N ATOM 836 CA GLU B 450 -23.774 5.183 -17.755 1.00 70.52 C ATOM 837 C GLU B 450 -24.213 5.162 -16.303 1.00 72.51 C ATOM 838 O GLU B 450 -25.100 4.395 -15.921 1.00 75.86 O ATOM 839 CB GLU B 450 -22.905 3.957 -18.036 1.00 72.64 C ATOM 840 CG GLU B 450 -23.676 2.784 -18.631 1.00 83.78 C ATOM 841 CD GLU B 450 -23.833 2.887 -20.143 1.00 87.50 C ATOM 842 OE1 GLU B 450 -22.803 2.864 -20.848 1.00 85.58 O ATOM 843 OE2 GLU B 450 -24.985 2.993 -20.625 1.00 92.80 O ATOM 844 N GLY B 451 -23.573 6.000 -15.496 1.00 69.25 N ATOM 845 CA GLY B 451 -23.866 6.072 -14.082 1.00 72.71 C ATOM 846 C GLY B 451 -24.969 7.064 -13.782 1.00 76.51 C ATOM 847 O GLY B 451 -25.334 7.892 -14.625 1.00 76.51 O ATOM 848 N GLN B 452 -25.507 6.959 -12.572 1.00 80.72 N ATOM 849 CA GLN B 452 -26.543 7.855 -12.067 1.00 88.63 C ATOM 850 C GLN B 452 -25.877 9.132 -11.575 1.00 83.98 C ATOM 851 O GLN B 452 -26.155 9.602 -10.469 1.00 83.98 O ATOM 852 CB GLN B 452 -27.321 7.178 -10.918 1.00 88.86 C ATOM 853 CG GLN B 452 -28.849 7.035 -11.071 1.00 92.60 C ATOM 854 CD GLN B 452 -29.598 8.354 -11.244 1.00 97.10 C ATOM 855 OE1 GLN B 452 -29.017 9.440 -11.167 1.00 95.04 O ATOM 856 NE2 GLN B 452 -30.906 8.258 -11.470 1.00 98.15 N ATOM 857 N HIS B 453 -24.982 9.690 -12.384 1.00 81.55 N ATOM 858 CA HIS B 453 -23.978 10.574 -11.805 1.00 78.35 C ATOM 859 C HIS B 453 -24.234 12.057 -11.979 1.00 72.44 C ATOM 860 O HIS B 453 -24.177 12.621 -13.083 1.00 72.66 O ATOM 861 CB HIS B 453 -22.601 10.194 -12.340 1.00 72.73 C ATOM 862 CG HIS B 453 -22.061 8.949 -11.708 1.00 73.35 C ATOM 863 ND1 HIS B 453 -21.234 8.069 -12.368 1.00 75.85 N ATOM 864 CD2 HIS B 453 -22.264 8.428 -10.473 1.00 73.53 C ATOM 865 CE1 HIS B 453 -20.940 7.058 -11.564 1.00 76.92 C ATOM 866 NE2 HIS B 453 -21.552 7.254 -10.411 1.00 80.54 N ATOM 867 N ASN B 454 -24.542 12.652 -10.830 1.00 72.85 N ATOM 868 CA ASN B 454 -24.656 14.086 -10.661 1.00 68.02 C ATOM 869 C ASN B 454 -23.512 14.565 -9.800 1.00 61.33 C ATOM 870 O ASN B 454 -23.546 14.470 -8.575 1.00 65.56 O ATOM 871 CB ASN B 454 -25.992 14.458 -10.035 1.00 68.14 C ATOM 872 CG ASN B 454 -27.095 14.529 -11.058 1.00 75.07 C ATOM 873 OD1 ASN B 454 -26.849 14.849 -12.222 1.00 73.63 O ATOM 874 ND2 ASN B 454 -28.316 14.217 -10.640 1.00 79.56 N ATOM 875 N TYR B 455 -22.480 15.053 -10.462 1.00 55.66 N ATOM 876 CA TYR B 455 -21.307 15.526 -9.775 1.00 47.45 C ATOM 877 C TYR B 455 -21.500 16.959 -9.373 1.00 45.30 C ATOM 878 O TYR B 455 -22.252 17.708 -10.018 1.00 42.57 O ATOM 879 CB TYR B 455 -20.076 15.418 -10.658 1.00 41.90 C ATOM 880 CG TYR B 455 -19.779 14.040 -11.182 1.00 44.72 C ATOM 881 CD1 TYR B 455 -19.279 13.053 -10.348 1.00 48.14 C ATOM 882 CD2 TYR B 455 -19.955 13.741 -12.521 1.00 45.07 C ATOM 883 CE1 TYR B 455 -18.977 11.799 -10.833 1.00 48.19 C ATOM 884 CE2 TYR B 455 -19.656 12.488 -13.018 1.00 53.04 C ATOM 885 CZ TYR B 455 -19.173 11.522 -12.171 1.00 48.52 C ATOM 886 OH TYR B 455 -18.877 10.280 -12.676 1.00 52.49 O ATOM 887 N LEU B 456 -20.775 17.350 -8.336 1.00 38.80 N ATOM 888 CA LEU B 456 -20.857 18.697 -7.819 1.00 36.97 C ATOM 889 C LEU B 456 -19.469 19.305 -7.643 1.00 37.12 C ATOM 890 O LEU B 456 -18.616 18.718 -6.977 1.00 30.53 O ATOM 891 CB LEU B 456 -21.603 18.692 -6.488 1.00 35.33 C ATOM 892 CG LEU B 456 -21.749 20.061 -5.844 1.00 37.36 C ATOM 893 CD1 LEU B 456 -22.478 21.055 -6.799 1.00 35.23 C ATOM 894 CD2 LEU B 456 -22.474 19.920 -4.526 1.00 40.88 C ATOM 895 N CYS B 457 -19.267 20.497 -8.204 1.00 37.25 N ATOM 896 CA CYS B 457 -17.977 21.208 -8.132 1.00 33.91 C ATOM 897 C CYS B 457 -17.748 21.809 -6.749 1.00 32.59 C ATOM 898 O CYS B 457 -18.683 22.300 -6.129 1.00 34.18 O ATOM 899 CB CYS B 457 -17.936 22.314 -9.203 1.00 29.52 C ATOM 900 SG CYS B 457 -16.387 23.255 -9.281 1.00 31.21 S ATOM 901 N ALA B 458 -16.514 21.821 -6.265 1.00 30.44 N ATOM 902 CA ALA B 458 -16.279 22.439 -4.959 1.00 33.20 C ATOM 903 C ALA B 458 -15.877 23.904 -5.118 1.00 30.26 C ATOM 904 O ALA B 458 -15.624 24.578 -4.129 1.00 28.19 O ATOM 905 CB ALA B 458 -15.227 21.691 -4.185 1.00 29.14 C ATOM 906 N GLY B 459 -15.818 24.370 -6.359 1.00 27.33 N ATOM 907 CA GLY B 459 -15.320 25.702 -6.642 1.00 30.50 C ATOM 908 C GLY B 459 -16.337 26.572 -7.334 1.00 32.11 C ATOM 909 O GLY B 459 -17.302 27.025 -6.693 1.00 33.00 O ATOM 910 N ARG B 460 -16.132 26.807 -8.629 1.00 28.88 N ATOM 911 CA ARG B 460 -16.924 27.788 -9.371 1.00 29.55 C ATOM 912 C ARG B 460 -17.406 27.274 -10.718 1.00 30.09 C ATOM 913 O ARG B 460 -17.744 28.061 -11.578 1.00 34.21 O ATOM 914 CB ARG B 460 -16.107 29.065 -9.582 1.00 28.38 C ATOM 915 CG ARG B 460 -15.838 29.841 -8.302 1.00 35.00 C ATOM 916 CD ARG B 460 -14.658 30.801 -8.464 1.00 36.92 C ATOM 917 NE ARG B 460 -14.518 31.655 -7.292 1.00 32.74 N ATOM 918 CZ ARG B 460 -13.904 31.313 -6.164 1.00 35.64 C ATOM 919 NH1 ARG B 460 -13.396 30.102 -6.017 1.00 35.17 N ATOM 920 NH2 ARG B 460 -13.844 32.172 -5.148 1.00 37.71 N ATOM 921 N ASN B 461 -17.431 25.960 -10.901 1.00 27.78 N ATOM 922 CA ASN B 461 -17.702 25.350 -12.217 1.00 33.70 C ATOM 923 C ASN B 461 -16.726 25.813 -13.301 1.00 32.56 C ATOM 924 O ASN B 461 -17.103 25.921 -14.470 1.00 32.76 O ATOM 925 CB ASN B 461 -19.149 25.625 -12.682 1.00 31.07 C ATOM 926 CG ASN B 461 -20.151 24.671 -12.063 1.00 32.42 C ATOM 927 OD1 ASN B 461 -19.791 23.580 -11.658 1.00 32.37 O ATOM 928 ND2 ASN B 461 -21.429 25.059 -12.035 1.00 33.61 N ATOM 929 N ASP B 462 -15.487 26.100 -12.915 1.00 31.25 N ATOM 930 CA ASP B 462 -14.446 26.453 -13.901 1.00 36.45 C ATOM 931 C ASP B 462 -13.059 25.920 -13.488 1.00 42.12 C ATOM 932 O ASP B 462 -12.076 26.657 -13.509 1.00 38.67 O ATOM 933 CB ASP B 462 -14.383 27.982 -14.096 1.00 40.82 C ATOM 934 CG ASP B 462 -13.965 28.724 -12.820 1.00 45.94 C ATOM 935 OD1 ASP B 462 -14.029 28.105 -11.740 1.00 57.15 O ATOM 936 OD2 ASP B 462 -13.561 29.913 -12.884 1.00 50.85 O ATOM 937 N CYS B 463 -12.988 24.649 -13.089 1.00 37.13 N ATOM 938 CA CYS B 463 -11.768 24.099 -12.513 1.00 36.52 C ATOM 939 C CYS B 463 -10.767 23.869 -13.656 1.00 36.29 C ATOM 940 O CYS B 463 -11.155 23.697 -14.796 1.00 37.76 O ATOM 941 CB CYS B 463 -12.067 22.786 -11.718 1.00 32.40 C ATOM 942 SG CYS B 463 -12.879 22.962 -10.081 1.00 32.38 S ATOM 943 N ILE B 464 -9.478 23.920 -13.357 1.00 36.67 N ATOM 944 CA ILE B 464 -8.434 23.585 -14.335 1.00 35.89 C ATOM 945 C ILE B 464 -8.378 22.083 -14.533 1.00 40.09 C ATOM 946 O ILE B 464 -8.134 21.346 -13.589 1.00 41.05 O ATOM 947 CB ILE B 464 -7.046 24.085 -13.873 1.00 43.40 C ATOM 948 CG1 ILE B 464 -6.973 25.607 -13.980 1.00 44.32 C ATOM 949 CG2 ILE B 464 -5.923 23.436 -14.691 1.00 44.69 C ATOM 950 CD1 ILE B 464 -5.978 26.210 -13.062 1.00 44.07 C ATOM 951 N ILE B 465 -8.650 21.612 -15.740 1.00 39.13 N ATOM 952 CA ILE B 465 -8.605 20.183 -15.969 1.00 38.82 C ATOM 953 C ILE B 465 -7.358 19.827 -16.773 1.00 46.06 C ATOM 954 O ILE B 465 -7.290 20.092 -17.966 1.00 46.83 O ATOM 955 CB ILE B 465 -9.865 19.689 -16.692 1.00 37.33 C ATOM 956 CG1 ILE B 465 -11.109 20.030 -15.864 1.00 42.83 C ATOM 957 CG2 ILE B 465 -9.792 18.192 -16.903 1.00 42.68 C ATOM 958 CD1 ILE B 465 -11.176 19.338 -14.444 1.00 37.80 C ATOM 959 N ASP B 466 -6.357 19.263 -16.104 1.00 46.58 N ATOM 960 CA ASP B 466 -5.144 18.804 -16.789 1.00 48.67 C ATOM 961 C ASP B 466 -4.748 17.448 -16.239 1.00 47.15 C ATOM 962 O ASP B 466 -5.463 16.894 -15.421 1.00 49.50 O ATOM 963 CB ASP B 466 -3.996 19.808 -16.633 1.00 49.05 C ATOM 964 CG ASP B 466 -3.597 20.048 -15.170 1.00 47.06 C ATOM 965 OD1 ASP B 466 -3.852 19.202 -14.288 1.00 52.95 O ATOM 966 OD2 ASP B 466 -3.003 21.100 -14.901 1.00 53.47 O ATOM 967 N LYS B 467 -3.599 16.933 -16.648 1.00 50.05 N ATOM 968 CA LYS B 467 -3.230 15.566 -16.302 1.00 50.40 C ATOM 969 C LYS B 467 -3.170 15.334 -14.790 1.00 50.00 C ATOM 970 O LYS B 467 -3.562 14.282 -14.296 1.00 57.16 O ATOM 971 CB LYS B 467 -1.892 15.198 -16.940 1.00 54.46 C ATOM 972 CG LYS B 467 -1.480 13.752 -16.655 1.00 60.31 C ATOM 973 CD LYS B 467 -0.088 13.438 -17.191 1.00 66.56 C ATOM 974 CE LYS B 467 0.397 12.090 -16.687 1.00 65.38 C ATOM 975 NZ LYS B 467 1.779 12.216 -16.136 1.00 73.88 N ATOM 976 N ILE B 468 -2.689 16.317 -14.053 1.00 51.98 N ATOM 977 CA ILE B 468 -2.550 16.150 -12.617 1.00 56.66 C ATOM 978 C ILE B 468 -3.854 16.445 -11.886 1.00 55.40 C ATOM 979 O ILE B 468 -4.207 15.742 -10.946 1.00 57.66 O ATOM 980 CB ILE B 468 -1.442 17.051 -12.067 1.00 61.91 C ATOM 981 CG1 ILE B 468 -0.154 16.799 -12.851 1.00 64.78 C ATOM 982 CG2 ILE B 468 -1.217 16.775 -10.586 1.00 56.70 C ATOM 983 CD1 ILE B 468 0.385 15.393 -12.646 1.00 65.88 C ATOM 984 N ARG B 469 -4.579 17.464 -12.338 1.00 49.40 N ATOM 985 CA ARG B 469 -5.762 17.918 -11.613 1.00 49.07 C ATOM 986 C ARG B 469 -7.068 17.316 -12.075 1.00 47.16 C ATOM 987 O ARG B 469 -8.078 17.479 -11.394 1.00 47.50 O ATOM 988 CB ARG B 469 -5.896 19.429 -11.711 1.00 46.50 C ATOM 989 CG ARG B 469 -4.700 20.179 -11.217 1.00 45.20 C ATOM 990 CD ARG B 469 -4.853 21.629 -11.553 1.00 45.30 C ATOM 991 NE ARG B 469 -3.933 22.381 -10.730 1.00 51.69 N ATOM 992 CZ ARG B 469 -2.837 22.946 -11.204 1.00 59.27 C ATOM 993 NH1 ARG B 469 -2.575 22.882 -12.512 1.00 54.07 N ATOM 994 NH2 ARG B 469 -2.024 23.582 -10.377 1.00 55.06 N ATOM 995 N ARG B 470 -7.070 16.630 -13.217 1.00 47.38 N ATOM 996 CA ARG B 470 -8.337 16.239 -13.840 1.00 42.14 C ATOM 997 C ARG B 470 -9.172 15.370 -12.916 1.00 43.63 C ATOM 998 O ARG B 470 -10.395 15.331 -13.024 1.00 46.62 O ATOM 999 CB ARG B 470 -8.105 15.515 -15.166 1.00 45.51 C ATOM 1000 CG ARG B 470 -7.477 14.145 -15.031 1.00 47.35 C ATOM 1001 CD ARG B 470 -7.008 13.611 -16.384 1.00 47.18 C ATOM 1002 NE ARG B 470 -6.255 12.372 -16.207 1.00 55.59 N ATOM 1003 CZ ARG B 470 -5.310 11.936 -17.033 1.00 56.04 C ATOM 1004 NH1 ARG B 470 -5.003 12.626 -18.120 1.00 56.68 N ATOM 1005 NH2 ARG B 470 -4.678 10.802 -16.773 1.00 60.96 N ATOM 1006 N LYS B 471 -8.533 14.701 -11.973 1.00 44.89 N ATOM 1007 CA LYS B 471 -9.277 13.801 -11.118 1.00 43.19 C ATOM 1008 C LYS B 471 -9.938 14.555 -9.975 1.00 43.62 C ATOM 1009 O LYS B 471 -10.865 14.043 -9.356 1.00 43.13 O ATOM 1010 CB LYS B 471 -8.363 12.695 -10.585 1.00 47.68 C ATOM 1011 CG LYS B 471 -7.247 13.181 -9.690 1.00 50.32 C ATOM 1012 CD LYS B 471 -6.379 11.985 -9.282 1.00 60.33 C ATOM 1013 CE LYS B 471 -5.295 12.397 -8.313 1.00 61.27 C ATOM 1014 NZ LYS B 471 -4.475 13.506 -8.897 1.00 73.99 N ATOM 1015 N ASN B 472 -9.486 15.783 -9.719 1.00 42.58 N ATOM 1016 CA ASN B 472 -10.048 16.597 -8.644 1.00 41.76 C ATOM 1017 C ASN B 472 -11.513 16.965 -8.800 1.00 39.23 C ATOM 1018 O ASN B 472 -12.232 17.039 -7.807 1.00 41.36 O ATOM 1019 CB ASN B 472 -9.251 17.882 -8.487 1.00 43.08 C ATOM 1020 CG ASN B 472 -7.878 17.634 -7.930 1.00 45.40 C ATOM 1021 OD1 ASN B 472 -7.402 16.504 -7.932 1.00 47.84 O ATOM 1022 ND2 ASN B 472 -7.227 18.689 -7.453 1.00 41.21 N ATOM 1023 N CYS B 473 -11.961 17.210 -10.026 1.00 38.30 N ATOM 1024 CA CYS B 473 -13.326 17.651 -10.217 1.00 36.24 C ATOM 1025 C CYS B 473 -14.036 16.944 -11.355 1.00 36.60 C ATOM 1026 O CYS B 473 -14.005 17.406 -12.486 1.00 34.14 O ATOM 1027 CB CYS B 473 -13.356 19.148 -10.470 1.00 39.40 C ATOM 1028 SG CYS B 473 -15.005 19.822 -10.356 1.00 33.83 S ATOM 1029 N PRO B 474 -14.715 15.841 -11.044 1.00 37.04 N ATOM 1030 CA PRO B 474 -15.468 15.120 -12.067 1.00 34.12 C ATOM 1031 C PRO B 474 -16.526 16.020 -12.694 1.00 35.41 C ATOM 1032 O PRO B 474 -16.741 15.920 -13.896 1.00 36.34 O ATOM 1033 CB PRO B 474 -16.104 13.964 -11.292 1.00 37.49 C ATOM 1034 CG PRO B 474 -15.242 13.813 -10.038 1.00 35.98 C ATOM 1035 CD PRO B 474 -14.821 15.210 -9.713 1.00 34.06 C ATOM 1036 N ALA B 475 -17.128 16.924 -11.920 1.00 36.12 N ATOM 1037 CA ALA B 475 -18.127 17.836 -12.483 1.00 34.67 C ATOM 1038 C ALA B 475 -17.552 18.691 -13.597 1.00 33.40 C ATOM 1039 O ALA B 475 -18.117 18.763 -14.674 1.00 35.36 O ATOM 1040 CB ALA B 475 -18.729 18.731 -11.383 1.00 37.17 C ATOM 1041 N CYS B 476 -16.435 19.361 -13.357 1.00 33.04 N ATOM 1042 CA CYS B 476 -15.874 20.190 -14.416 1.00 30.02 C ATOM 1043 C CYS B 476 -15.312 19.324 -15.556 1.00 34.36 C ATOM 1044 O CYS B 476 -15.449 19.674 -16.729 1.00 35.65 O ATOM 1045 CB CYS B 476 -14.817 21.138 -13.870 1.00 30.53 C ATOM 1046 SG CYS B 476 -15.547 22.556 -12.891 1.00 31.54 S ATOM 1047 N ARG B 477 -14.746 18.177 -15.220 1.00 33.00 N ATOM 1048 CA ARG B 477 -14.246 17.251 -16.248 1.00 37.55 C ATOM 1049 C ARG B 477 -15.375 16.738 -17.140 1.00 36.73 C ATOM 1050 O ARG B 477 -15.259 16.696 -18.362 1.00 38.88 O ATOM 1051 CB ARG B 477 -13.529 16.075 -15.586 1.00 36.07 C ATOM 1052 CG ARG B 477 -12.708 15.236 -16.545 1.00 42.82 C ATOM 1053 CD ARG B 477 -12.230 13.949 -15.862 1.00 42.21 C ATOM 1054 NE ARG B 477 -11.209 13.251 -16.638 1.00 44.07 N ATOM 1055 CZ ARG B 477 -10.477 12.238 -16.174 1.00 46.10 C ATOM 1056 NH1 ARG B 477 -10.642 11.819 -14.931 1.00 44.08 N ATOM 1057 NH2 ARG B 477 -9.575 11.647 -16.949 1.00 41.36 N ATOM 1058 N TYR B 478 -16.477 16.347 -16.520 1.00 38.69 N ATOM 1059 CA TYR B 478 -17.634 15.888 -17.271 1.00 38.11 C ATOM 1060 C TYR B 478 -18.159 17.008 -18.159 1.00 43.28 C ATOM 1061 O TYR B 478 -18.393 16.800 -19.343 1.00 44.30 O ATOM 1062 CB TYR B 478 -18.711 15.392 -16.309 1.00 40.86 C ATOM 1063 CG TYR B 478 -19.906 14.725 -16.962 1.00 50.50 C ATOM 1064 CD1 TYR B 478 -19.749 13.892 -18.063 1.00 48.78 C ATOM 1065 CD2 TYR B 478 -21.186 14.893 -16.445 1.00 52.07 C ATOM 1066 CE1 TYR B 478 -20.838 13.271 -18.652 1.00 51.23 C ATOM 1067 CE2 TYR B 478 -22.278 14.279 -17.027 1.00 55.57 C ATOM 1068 CZ TYR B 478 -22.100 13.468 -18.129 1.00 57.84 C ATOM 1069 OH TYR B 478 -23.190 12.854 -18.708 1.00 61.77 O ATOM 1070 N ARG B 479 -18.317 18.206 -17.598 1.00 40.52 N ATOM 1071 CA ARG B 479 -18.786 19.357 -18.383 1.00 40.35 C ATOM 1072 C ARG B 479 -17.862 19.635 -19.580 1.00 41.40 C ATOM 1073 O ARG B 479 -18.330 19.948 -20.671 1.00 44.69 O ATOM 1074 CB ARG B 479 -18.912 20.601 -17.489 1.00 40.23 C ATOM 1075 CG ARG B 479 -19.211 21.894 -18.237 1.00 41.65 C ATOM 1076 CD ARG B 479 -19.184 23.140 -17.325 1.00 43.10 C ATOM 1077 NE ARG B 479 -17.935 23.262 -16.573 1.00 47.90 N ATOM 1078 CZ ARG B 479 -16.772 23.634 -17.112 1.00 51.75 C ATOM 1079 NH1 ARG B 479 -16.699 23.927 -18.405 1.00 52.30 N ATOM 1080 NH2 ARG B 479 -15.677 23.705 -16.369 1.00 47.92 N ATOM 1081 N LYS B 480 -16.554 19.500 -19.401 1.00 40.66 N ATOM 1082 CA LYS B 480 -15.644 19.682 -20.542 1.00 42.68 C ATOM 1083 C LYS B 480 -15.823 18.562 -21.584 1.00 47.84 C ATOM 1084 O LYS B 480 -15.694 18.813 -22.782 1.00 47.70 O ATOM 1085 CB LYS B 480 -14.180 19.748 -20.085 1.00 46.11 C ATOM 1086 CG LYS B 480 -13.656 21.159 -19.834 1.00 48.72 C ATOM 1087 CD LYS B 480 -12.145 21.198 -19.470 1.00 50.98 C ATOM 1088 CE LYS B 480 -11.241 21.436 -20.708 1.00 55.82 C ATOM 1089 NZ LYS B 480 -9.758 21.672 -20.408 1.00 44.98 N ATOM 1090 N CYS B 481 -16.130 17.343 -21.134 1.00 40.98 N ATOM 1091 CA CYS B 481 -16.395 16.243 -22.056 1.00 45.51 C ATOM 1092 C CYS B 481 -17.570 16.586 -22.970 1.00 53.84 C ATOM 1093 O CYS B 481 -17.472 16.443 -24.186 1.00 51.19 O ATOM 1094 CB CYS B 481 -16.703 14.947 -21.313 1.00 42.94 C ATOM 1095 SG CYS B 481 -15.302 14.137 -20.511 1.00 45.91 S ATOM 1096 N LEU B 482 -18.673 17.028 -22.364 1.00 49.11 N ATOM 1097 CA LEU B 482 -19.888 17.401 -23.083 1.00 48.33 C ATOM 1098 C LEU B 482 -19.695 18.576 -24.019 1.00 51.22 C ATOM 1099 O LEU B 482 -20.192 18.562 -25.137 1.00 58.36 O ATOM 1100 CB LEU B 482 -21.010 17.725 -22.097 1.00 48.69 C ATOM 1101 CG LEU B 482 -21.523 16.512 -21.335 1.00 49.66 C ATOM 1102 CD1 LEU B 482 -22.656 16.882 -20.377 1.00 49.98 C ATOM 1103 CD2 LEU B 482 -21.965 15.455 -22.341 1.00 48.62 C ATOM 1104 N GLN B 483 -18.975 19.595 -23.571 1.00 52.95 N ATOM 1105 CA GLN B 483 -18.775 20.791 -24.383 1.00 54.36 C ATOM 1106 C GLN B 483 -17.882 20.490 -25.574 1.00 58.91 C ATOM 1107 O GLN B 483 -17.890 21.213 -26.571 1.00 61.27 O ATOM 1108 CB GLN B 483 -18.159 21.923 -23.553 1.00 51.08 C ATOM 1109 CG GLN B 483 -19.105 22.510 -22.518 1.00 56.59 C ATOM 1110 CD GLN B 483 -18.432 23.536 -21.619 1.00 62.15 C ATOM 1111 OE1 GLN B 483 -17.245 23.850 -21.783 1.00 63.02 O ATOM 1112 NE2 GLN B 483 -19.192 24.072 -20.668 1.00 59.10 N ATOM 1113 N ALA B 484 -17.090 19.432 -25.461 1.00 53.42 N ATOM 1114 CA ALA B 484 -16.181 19.059 -26.533 1.00 53.59 C ATOM 1115 C ALA B 484 -16.946 18.255 -27.579 1.00 57.22 C ATOM 1116 O ALA B 484 -16.451 18.011 -28.679 1.00 54.88 O ATOM 1117 CB ALA B 484 -15.017 18.273 -25.999 1.00 53.23 C ATOM 1118 N GLY B 485 -18.160 17.855 -27.213 1.00 56.59 N ATOM 1119 CA GLY B 485 -19.050 17.135 -28.102 1.00 57.51 C ATOM 1120 C GLY B 485 -19.080 15.627 -27.899 1.00 61.89 C ATOM 1121 O GLY B 485 -19.579 14.903 -28.755 1.00 61.47 O ATOM 1122 N MET B 486 -18.559 15.137 -26.778 1.00 57.42 N ATOM 1123 CA MET B 486 -18.487 13.694 -26.594 1.00 56.07 C ATOM 1124 C MET B 486 -19.873 13.101 -26.460 1.00 61.82 C ATOM 1125 O MET B 486 -20.777 13.702 -25.878 1.00 60.01 O ATOM 1126 CB MET B 486 -17.636 13.322 -25.383 1.00 53.28 C ATOM 1127 CG MET B 486 -16.158 13.489 -25.620 1.00 55.07 C ATOM 1128 SD MET B 486 -15.149 13.115 -24.169 1.00 57.40 S ATOM 1129 CE MET B 486 -15.075 11.319 -24.230 1.00 54.45 C ATOM 1130 N ASN B 487 -20.027 11.911 -27.024 1.00 62.53 N ATOM 1131 CA ASN B 487 -21.305 11.226 -27.048 1.00 67.52 C ATOM 1132 C ASN B 487 -21.049 9.763 -27.347 1.00 69.26 C ATOM 1133 O ASN B 487 -20.147 9.444 -28.116 1.00 68.68 O ATOM 1134 CB ASN B 487 -22.235 11.847 -28.094 1.00 68.83 C ATOM 1135 CG ASN B 487 -23.575 11.171 -28.144 1.00 74.81 C ATOM 1136 OD1 ASN B 487 -24.117 10.764 -27.114 1.00 76.75 O ATOM 1137 ND2 ASN B 487 -24.123 11.036 -29.346 1.00 83.89 N ATOM 1138 N LEU B 488 -21.835 8.876 -26.750 1.00 69.28 N ATOM 1139 CA LEU B 488 -21.596 7.445 -26.895 1.00 72.64 C ATOM 1140 C LEU B 488 -21.713 6.952 -28.350 1.00 77.97 C ATOM 1141 O LEU B 488 -21.408 5.795 -28.647 1.00 75.11 O ATOM 1142 CB LEU B 488 -22.551 6.678 -25.989 1.00 71.71 C ATOM 1143 CG LEU B 488 -22.318 6.995 -24.516 1.00 69.57 C ATOM 1144 CD1 LEU B 488 -23.206 6.140 -23.643 1.00 75.36 C ATOM 1145 CD2 LEU B 488 -20.854 6.808 -24.132 1.00 62.90 C ATOM 1146 N GLU B 489 -22.138 7.844 -29.246 1.00 80.02 N ATOM 1147 CA GLU B 489 -22.167 7.577 -30.683 1.00 79.00 C ATOM 1148 C GLU B 489 -21.113 8.399 -31.442 1.00 82.52 C ATOM 1149 O GLU B 489 -21.080 9.632 -31.351 1.00 79.19 O ATOM 1150 CB GLU B 489 -23.564 7.862 -31.240 1.00 79.19 C ATOM 1151 CG GLU B 489 -24.604 6.833 -30.834 1.00 81.77 C ATOM 1152 CD GLU B 489 -25.048 6.962 -29.385 1.00 86.27 C ATOM 1153 OE1 GLU B 489 -24.559 7.872 -28.677 1.00 82.03 O ATOM 1154 OE2 GLU B 489 -25.887 6.141 -28.950 1.00 90.29 O ATOM 1155 N ALA B 490 -20.255 7.706 -32.190 1.00 87.32 N ATOM 1156 CA ALA B 490 -19.205 8.357 -32.976 1.00 84.88 C ATOM 1157 C ALA B 490 -19.728 8.846 -34.325 1.00 88.39 C ATOM 1158 O ALA B 490 -19.086 8.637 -35.359 1.00 88.94 O ATOM 1159 CB ALA B 490 -18.033 7.405 -33.185 1.00 83.13 C TER 1160 ALA B 490 ATOM 1161 O5' DA C 1 -18.263 2.740 35.492 1.00 90.00 O ATOM 1162 C5' DA C 1 -18.558 3.019 34.114 1.00 88.66 C ATOM 1163 C4' DA C 1 -17.913 4.322 33.658 1.00 86.16 C ATOM 1164 O4' DA C 1 -16.486 4.126 33.464 1.00 83.71 O ATOM 1165 C3' DA C 1 -18.417 4.844 32.325 1.00 90.04 C ATOM 1166 O3' DA C 1 -18.232 6.244 32.256 1.00 91.87 O ATOM 1167 C2' DA C 1 -17.517 4.117 31.334 1.00 84.70 C ATOM 1168 C1' DA C 1 -16.182 4.123 32.077 1.00 82.11 C ATOM 1169 N9 DA C 1 -15.365 2.952 31.792 1.00 79.88 N ATOM 1170 C8 DA C 1 -15.813 1.711 31.420 1.00 80.16 C ATOM 1171 N7 DA C 1 -14.852 0.838 31.225 1.00 76.62 N ATOM 1172 C5 DA C 1 -13.695 1.553 31.491 1.00 71.31 C ATOM 1173 C6 DA C 1 -12.344 1.191 31.462 1.00 71.11 C ATOM 1174 N6 DA C 1 -11.926 -0.036 31.140 1.00 71.53 N ATOM 1175 N1 DA C 1 -11.435 2.137 31.776 1.00 67.57 N ATOM 1176 C2 DA C 1 -11.867 3.363 32.093 1.00 69.88 C ATOM 1177 N3 DA C 1 -13.114 3.824 32.156 1.00 72.28 N ATOM 1178 C4 DA C 1 -13.990 2.859 31.840 1.00 73.28 C ATOM 1179 P DG C 2 -19.079 7.102 31.199 1.00 98.81 P ATOM 1180 OP1 DG C 2 -19.739 8.206 31.945 1.00 93.25 O ATOM 1181 OP2 DG C 2 -19.873 6.127 30.406 1.00 90.40 O ATOM 1182 O5' DG C 2 -17.964 7.723 30.229 1.00 92.39 O ATOM 1183 C5' DG C 2 -17.072 8.716 30.724 1.00 86.70 C ATOM 1184 C4' DG C 2 -15.904 8.906 29.779 1.00 79.30 C ATOM 1185 O4' DG C 2 -14.960 7.808 29.914 1.00 80.00 O ATOM 1186 C3' DG C 2 -16.265 8.968 28.281 1.00 78.04 C ATOM 1187 O3' DG C 2 -15.658 10.115 27.728 1.00 83.11 O ATOM 1188 C2' DG C 2 -15.637 7.691 27.717 1.00 72.28 C ATOM 1189 C1' DG C 2 -14.442 7.557 28.641 1.00 70.73 C ATOM 1190 N9 DG C 2 -13.786 6.256 28.610 1.00 68.15 N ATOM 1191 C8 DG C 2 -14.362 5.024 28.402 1.00 67.30 C ATOM 1192 N7 DG C 2 -13.495 4.043 28.402 1.00 67.64 N ATOM 1193 C5 DG C 2 -12.270 4.673 28.620 1.00 65.59 C ATOM 1194 C6 DG C 2 -10.958 4.135 28.720 1.00 64.69 C ATOM 1195 O6 DG C 2 -10.598 2.949 28.635 1.00 64.74 O ATOM 1196 N1 DG C 2 -10.012 5.133 28.939 1.00 62.42 N ATOM 1197 C2 DG C 2 -10.293 6.475 29.035 1.00 61.71 C ATOM 1198 N2 DG C 2 -9.256 7.287 29.243 1.00 61.14 N ATOM 1199 N3 DG C 2 -11.504 6.985 28.944 1.00 62.74 N ATOM 1200 C4 DG C 2 -12.440 6.032 28.739 1.00 65.04 C ATOM 1201 P DT C 3 -16.092 10.714 26.298 1.00 87.65 P ATOM 1202 OP1 DT C 3 -16.995 11.862 26.575 1.00 69.72 O ATOM 1203 OP2 DT C 3 -16.479 9.637 25.352 1.00 73.02 O ATOM 1204 O5' DT C 3 -14.715 11.301 25.762 1.00 74.09 O ATOM 1205 C5' DT C 3 -13.790 11.870 26.679 1.00 63.87 C ATOM 1206 C4' DT C 3 -12.380 11.569 26.235 1.00 61.36 C ATOM 1207 O4' DT C 3 -12.077 10.196 26.505 1.00 58.71 O ATOM 1208 C3' DT C 3 -12.139 11.731 24.730 1.00 58.48 C ATOM 1209 O3' DT C 3 -11.542 12.972 24.490 1.00 59.95 O ATOM 1210 C2' DT C 3 -11.190 10.577 24.372 1.00 57.31 C ATOM 1211 C1' DT C 3 -10.985 9.856 25.709 1.00 57.60 C ATOM 1212 N1 DT C 3 -10.925 8.388 25.590 1.00 57.70 N ATOM 1213 C2 DT C 3 -9.714 7.784 25.728 1.00 56.50 C ATOM 1214 O2 DT C 3 -8.693 8.408 25.949 1.00 58.36 O ATOM 1215 N3 DT C 3 -9.733 6.424 25.611 1.00 55.90 N ATOM 1216 C4 DT C 3 -10.828 5.621 25.366 1.00 56.57 C ATOM 1217 O4 DT C 3 -10.736 4.406 25.269 1.00 57.80 O ATOM 1218 C5 DT C 3 -12.084 6.314 25.216 1.00 61.21 C ATOM 1219 C7 DT C 3 -13.342 5.537 24.935 1.00 57.02 C ATOM 1220 C6 DT C 3 -12.076 7.659 25.334 1.00 59.24 C ATOM 1221 P DG C 4 -11.446 13.570 22.999 1.00 65.68 P ATOM 1222 OP1 DG C 4 -11.180 15.000 23.256 1.00 55.31 O ATOM 1223 OP2 DG C 4 -12.561 13.051 22.155 1.00 51.70 O ATOM 1224 O5' DG C 4 -10.121 12.923 22.408 1.00 51.60 O ATOM 1225 C5' DG C 4 -8.893 13.213 22.999 1.00 51.16 C ATOM 1226 C4' DG C 4 -7.867 12.246 22.481 1.00 53.98 C ATOM 1227 O4' DG C 4 -8.248 10.898 22.871 1.00 50.37 O ATOM 1228 C3' DG C 4 -7.733 12.217 20.941 1.00 49.95 C ATOM 1229 O3' DG C 4 -6.364 12.204 20.599 1.00 54.54 O ATOM 1230 C2' DG C 4 -8.400 10.896 20.563 1.00 48.16 C ATOM 1231 C1' DG C 4 -8.011 10.062 21.778 1.00 52.37 C ATOM 1232 N9 DG C 4 -8.748 8.820 21.927 1.00 53.08 N ATOM 1233 C8 DG C 4 -10.102 8.619 21.797 1.00 53.32 C ATOM 1234 N7 DG C 4 -10.454 7.370 21.967 1.00 51.24 N ATOM 1235 C5 DG C 4 -9.260 6.711 22.213 1.00 52.04 C ATOM 1236 C6 DG C 4 -9.002 5.342 22.474 1.00 54.58 C ATOM 1237 O6 DG C 4 -9.809 4.409 22.533 1.00 54.74 O ATOM 1238 N1 DG C 4 -7.641 5.100 22.662 1.00 53.48 N ATOM 1239 C2 DG C 4 -6.661 6.062 22.619 1.00 52.50 C ATOM 1240 N2 DG C 4 -5.408 5.651 22.831 1.00 51.85 N ATOM 1241 N3 DG C 4 -6.894 7.342 22.384 1.00 53.12 N ATOM 1242 C4 DG C 4 -8.204 7.591 22.186 1.00 53.08 C ATOM 1243 P DG C 5 -5.857 12.617 19.126 1.00 50.47 P ATOM 1244 OP1 DG C 5 -5.667 14.075 19.136 1.00 50.53 O ATOM 1245 OP2 DG C 5 -6.615 11.903 18.063 1.00 44.80 O ATOM 1246 O5' DG C 5 -4.423 12.002 19.101 1.00 54.46 O ATOM 1247 C5' DG C 5 -4.245 10.869 18.420 1.00 55.73 C ATOM 1248 C4' DG C 5 -3.131 10.087 19.019 1.00 56.23 C ATOM 1249 O4' DG C 5 -3.632 9.312 20.119 1.00 52.60 O ATOM 1250 C3' DG C 5 -2.517 9.129 18.029 1.00 57.00 C ATOM 1251 O3' DG C 5 -1.198 9.494 17.826 1.00 60.03 O ATOM 1252 C2' DG C 5 -2.631 7.753 18.666 1.00 57.08 C ATOM 1253 C1' DG C 5 -3.637 7.956 19.773 1.00 55.86 C ATOM 1254 N9 DG C 5 -4.999 7.520 19.466 1.00 56.75 N ATOM 1255 C8 DG C 5 -6.111 8.306 19.234 1.00 56.64 C ATOM 1256 N7 DG C 5 -7.207 7.614 19.039 1.00 53.79 N ATOM 1257 C5 DG C 5 -6.793 6.289 19.173 1.00 51.71 C ATOM 1258 C6 DG C 5 -7.530 5.091 19.082 1.00 49.36 C ATOM 1259 O6 DG C 5 -8.735 4.948 18.867 1.00 49.71 O ATOM 1260 N1 DG C 5 -6.724 3.973 19.261 1.00 52.99 N ATOM 1261 C2 DG C 5 -5.375 4.010 19.525 1.00 56.97 C ATOM 1262 N2 DG C 5 -4.760 2.826 19.673 1.00 53.96 N ATOM 1263 N3 DG C 5 -4.672 5.131 19.620 1.00 56.92 N ATOM 1264 C4 DG C 5 -5.441 6.223 19.430 1.00 53.05 C ATOM 1265 P DA C 6 -0.621 9.524 16.343 1.00 61.98 P ATOM 1266 OP1 DA C 6 0.695 10.199 16.346 1.00 71.77 O ATOM 1267 OP2 DA C 6 -1.690 10.009 15.441 1.00 55.44 O ATOM 1268 O5' DA C 6 -0.418 7.998 16.031 1.00 58.56 O ATOM 1269 C5' DA C 6 0.206 7.178 16.951 1.00 62.61 C ATOM 1270 C4' DA C 6 -0.127 5.750 16.608 1.00 65.30 C ATOM 1271 O4' DA C 6 -1.506 5.492 16.940 1.00 61.22 O ATOM 1272 C3' DA C 6 0.029 5.443 15.127 1.00 64.50 C ATOM 1273 O3' DA C 6 0.993 4.434 14.974 1.00 71.01 O ATOM 1274 C2' DA C 6 -1.369 5.004 14.658 1.00 63.59 C ATOM 1275 C1' DA C 6 -2.102 4.700 15.956 1.00 60.27 C ATOM 1276 N9 DA C 6 -3.504 5.059 15.909 1.00 55.59 N ATOM 1277 C8 DA C 6 -4.018 6.310 15.737 1.00 58.82 C ATOM 1278 N7 DA C 6 -5.332 6.347 15.722 1.00 57.25 N ATOM 1279 C5 DA C 6 -5.702 5.029 15.910 1.00 54.63 C ATOM 1280 C6 DA C 6 -6.951 4.409 15.999 1.00 53.49 C ATOM 1281 N6 DA C 6 -8.105 5.075 15.907 1.00 53.05 N ATOM 1282 N1 DA C 6 -6.975 3.066 16.188 1.00 58.26 N ATOM 1283 C2 DA C 6 -5.811 2.404 16.276 1.00 59.59 C ATOM 1284 N3 DA C 6 -4.571 2.886 16.210 1.00 60.59 N ATOM 1285 C4 DA C 6 -4.586 4.218 16.029 1.00 58.35 C ATOM 1286 P DA C 7 1.202 3.694 13.568 1.00 74.93 P ATOM 1287 OP1 DA C 7 2.581 3.165 13.662 1.00 77.86 O ATOM 1288 OP2 DA C 7 0.813 4.571 12.433 1.00 70.96 O ATOM 1289 O5' DA C 7 0.176 2.474 13.635 1.00 71.94 O ATOM 1290 C5' DA C 7 0.152 1.649 14.788 1.00 65.43 C ATOM 1291 C4' DA C 7 -0.624 0.377 14.522 1.00 66.48 C ATOM 1292 O4' DA C 7 -2.049 0.642 14.590 1.00 66.54 O ATOM 1293 C3' DA C 7 -0.377 -0.258 13.163 1.00 71.68 C ATOM 1294 O3' DA C 7 -0.410 -1.687 13.300 1.00 72.91 O ATOM 1295 C2' DA C 7 -1.538 0.280 12.314 1.00 68.95 C ATOM 1296 C1' DA C 7 -2.663 0.399 13.336 1.00 66.06 C ATOM 1297 N9 DA C 7 -3.578 1.503 13.075 1.00 62.06 N ATOM 1298 C8 DA C 7 -3.239 2.795 12.797 1.00 61.92 C ATOM 1299 N7 DA C 7 -4.271 3.588 12.626 1.00 61.16 N ATOM 1300 C5 DA C 7 -5.365 2.762 12.825 1.00 58.07 C ATOM 1301 C6 DA C 7 -6.752 3.001 12.787 1.00 55.05 C ATOM 1302 N6 DA C 7 -7.284 4.199 12.525 1.00 59.55 N ATOM 1303 N1 DA C 7 -7.574 1.962 13.029 1.00 57.65 N ATOM 1304 C2 DA C 7 -7.036 0.763 13.288 1.00 60.35 C ATOM 1305 N3 DA C 7 -5.747 0.416 13.345 1.00 62.19 N ATOM 1306 C4 DA C 7 -4.956 1.472 13.103 1.00 60.13 C ATOM 1307 P DA C 8 -0.213 -2.659 12.033 1.00 79.01 P ATOM 1308 OP1 DA C 8 0.491 -3.866 12.522 1.00 82.18 O ATOM 1309 OP2 DA C 8 0.390 -1.899 10.914 1.00 72.70 O ATOM 1310 O5' DA C 8 -1.723 -3.072 11.671 1.00 70.43 O ATOM 1311 C5' DA C 8 -2.638 -3.346 12.723 1.00 65.53 C ATOM 1312 C4' DA C 8 -3.995 -3.751 12.183 1.00 70.16 C ATOM 1313 O4' DA C 8 -4.818 -2.573 11.970 1.00 69.74 O ATOM 1314 C3' DA C 8 -3.978 -4.508 10.857 1.00 72.35 C ATOM 1315 O3' DA C 8 -4.952 -5.562 10.913 1.00 77.65 O ATOM 1316 C2' DA C 8 -4.353 -3.423 9.832 1.00 67.20 C ATOM 1317 C1' DA C 8 -5.308 -2.550 10.640 1.00 66.61 C ATOM 1318 N9 DA C 8 -5.358 -1.144 10.218 1.00 65.21 N ATOM 1319 C8 DA C 8 -4.294 -0.342 9.902 1.00 62.01 C ATOM 1320 N7 DA C 8 -4.630 0.892 9.603 1.00 60.29 N ATOM 1321 C5 DA C 8 -6.013 0.905 9.735 1.00 59.05 C ATOM 1322 C6 DA C 8 -6.971 1.920 9.555 1.00 58.36 C ATOM 1323 N6 DA C 8 -6.656 3.167 9.185 1.00 58.33 N ATOM 1324 N1 DA C 8 -8.268 1.610 9.784 1.00 58.94 N ATOM 1325 C2 DA C 8 -8.574 0.360 10.152 1.00 58.24 C ATOM 1326 N3 DA C 8 -7.760 -0.679 10.345 1.00 61.12 N ATOM 1327 C4 DA C 8 -6.480 -0.337 10.120 1.00 61.31 C ATOM 1328 P DT C 9 -4.996 -6.732 9.807 1.00 79.99 P ATOM 1329 OP1 DT C 9 -5.027 -8.015 10.548 1.00 82.53 O ATOM 1330 OP2 DT C 9 -3.935 -6.497 8.800 1.00 67.80 O ATOM 1331 O5' DT C 9 -6.436 -6.537 9.145 1.00 68.55 O ATOM 1332 C5' DT C 9 -7.532 -6.172 9.977 1.00 66.29 C ATOM 1333 C4' DT C 9 -8.607 -5.474 9.171 1.00 67.30 C ATOM 1334 O4' DT C 9 -8.254 -4.083 8.945 1.00 66.30 O ATOM 1335 C3' DT C 9 -8.870 -6.079 7.789 1.00 68.52 C ATOM 1336 O3' DT C 9 -10.223 -6.505 7.726 1.00 74.14 O ATOM 1337 C2' DT C 9 -8.576 -4.925 6.796 1.00 63.37 C ATOM 1338 C1' DT C 9 -8.759 -3.696 7.676 1.00 66.47 C ATOM 1339 N1 DT C 9 -8.005 -2.459 7.203 1.00 61.15 N ATOM 1340 C2 DT C 9 -8.689 -1.272 6.992 1.00 57.69 C ATOM 1341 O2 DT C 9 -9.897 -1.149 7.146 1.00 56.19 O ATOM 1342 N3 DT C 9 -7.898 -0.226 6.598 1.00 56.47 N ATOM 1343 C4 DT C 9 -6.526 -0.248 6.395 1.00 59.02 C ATOM 1344 O4 DT C 9 -5.894 0.740 6.033 1.00 58.88 O ATOM 1345 C5 DT C 9 -5.883 -1.511 6.632 1.00 58.34 C ATOM 1346 C7 DT C 9 -4.398 -1.647 6.439 1.00 59.64 C ATOM 1347 C6 DT C 9 -6.641 -2.539 7.021 1.00 58.26 C ATOM 1348 P DT C 10 -10.765 -7.326 6.455 1.00 82.97 P ATOM 1349 OP1 DT C 10 -11.566 -8.452 6.995 1.00 84.18 O ATOM 1350 OP2 DT C 10 -9.617 -7.581 5.537 1.00 71.38 O ATOM 1351 O5' DT C 10 -11.773 -6.303 5.763 1.00 74.84 O ATOM 1352 C5' DT C 10 -12.572 -5.457 6.571 1.00 72.64 C ATOM 1353 C4' DT C 10 -12.973 -4.215 5.798 1.00 73.76 C ATOM 1354 O4' DT C 10 -11.818 -3.356 5.598 1.00 70.57 O ATOM 1355 C3' DT C 10 -13.560 -4.477 4.405 1.00 71.74 C ATOM 1356 O3' DT C 10 -14.885 -3.922 4.346 1.00 77.78 O ATOM 1357 C2' DT C 10 -12.572 -3.775 3.442 1.00 71.14 C ATOM 1358 C1' DT C 10 -11.942 -2.729 4.351 1.00 65.08 C ATOM 1359 N1 DT C 10 -10.584 -2.229 3.934 1.00 63.10 N ATOM 1360 C2 DT C 10 -10.407 -0.868 3.755 1.00 59.85 C ATOM 1361 O2 DT C 10 -11.312 -0.060 3.889 1.00 53.28 O ATOM 1362 N3 DT C 10 -9.132 -0.491 3.409 1.00 49.06 N ATOM 1363 C4 DT C 10 -8.032 -1.317 3.235 1.00 60.30 C ATOM 1364 O4 DT C 10 -6.914 -0.886 2.920 1.00 58.06 O ATOM 1365 C5 DT C 10 -8.282 -2.729 3.441 1.00 58.35 C ATOM 1366 C7 DT C 10 -7.161 -3.708 3.277 1.00 49.53 C ATOM 1367 C6 DT C 10 -9.529 -3.113 3.790 1.00 58.34 C ATOM 1368 P DC C 11 -15.847 -4.171 3.077 1.00 87.60 P ATOM 1369 OP1 DC C 11 -17.243 -4.244 3.565 1.00 78.73 O ATOM 1370 OP2 DC C 11 -15.260 -5.222 2.198 1.00 76.52 O ATOM 1371 O5' DC C 11 -15.771 -2.789 2.311 1.00 84.69 O ATOM 1372 C5' DC C 11 -15.866 -1.585 3.048 1.00 79.61 C ATOM 1373 C4' DC C 11 -15.563 -0.419 2.141 1.00 76.56 C ATOM 1374 O4' DC C 11 -14.132 -0.255 2.034 1.00 72.12 O ATOM 1375 C3' DC C 11 -16.085 -0.602 0.724 1.00 78.34 C ATOM 1376 O3' DC C 11 -16.958 0.458 0.412 1.00 81.33 O ATOM 1377 C2' DC C 11 -14.825 -0.624 -0.158 1.00 73.34 C ATOM 1378 C1' DC C 11 -13.794 0.062 0.720 1.00 69.80 C ATOM 1379 N1 DC C 11 -12.410 -0.400 0.492 1.00 67.57 N ATOM 1380 C2 DC C 11 -11.432 0.531 0.150 1.00 64.79 C ATOM 1381 O2 DC C 11 -11.754 1.712 0.035 1.00 65.25 O ATOM 1382 N3 DC C 11 -10.163 0.111 -0.051 1.00 61.97 N ATOM 1383 C4 DC C 11 -9.863 -1.175 0.090 1.00 59.97 C ATOM 1384 N4 DC C 11 -8.592 -1.545 -0.114 1.00 62.20 N ATOM 1385 C5 DC C 11 -10.850 -2.142 0.444 1.00 62.62 C ATOM 1386 C6 DC C 11 -12.099 -1.713 0.642 1.00 62.74 C ATOM 1387 P DC C 12 -17.573 0.605 -1.062 1.00 89.20 P ATOM 1388 OP1 DC C 12 -18.872 1.293 -0.854 1.00 87.29 O ATOM 1389 OP2 DC C 12 -17.519 -0.701 -1.766 1.00 83.69 O ATOM 1390 O5' DC C 12 -16.539 1.599 -1.785 1.00 85.60 O ATOM 1391 C5' DC C 12 -16.000 2.717 -1.041 1.00 86.30 C ATOM 1392 C4' DC C 12 -15.111 3.598 -1.909 1.00 82.72 C ATOM 1393 O4' DC C 12 -13.752 3.072 -1.934 1.00 74.63 O ATOM 1394 C3' DC C 12 -15.539 3.714 -3.370 1.00 86.33 C ATOM 1395 O3' DC C 12 -15.295 5.047 -3.823 1.00 95.46 O ATOM 1396 C2' DC C 12 -14.615 2.711 -4.059 1.00 79.92 C ATOM 1397 C1' DC C 12 -13.338 2.923 -3.267 1.00 74.19 C ATOM 1398 N1 DC C 12 -12.398 1.787 -3.340 1.00 71.39 N ATOM 1399 C2 DC C 12 -11.065 2.023 -3.666 1.00 69.75 C ATOM 1400 O2 DC C 12 -10.700 3.179 -3.886 1.00 74.18 O ATOM 1401 N3 DC C 12 -10.207 0.980 -3.733 1.00 67.60 N ATOM 1402 C4 DC C 12 -10.642 -0.254 -3.487 1.00 68.69 C ATOM 1403 N4 DC C 12 -9.757 -1.250 -3.560 1.00 67.63 N ATOM 1404 C5 DC C 12 -12.003 -0.519 -3.151 1.00 69.08 C ATOM 1405 C6 DC C 12 -12.841 0.523 -3.092 1.00 72.15 C ATOM 1406 P DC C 13 -16.311 5.786 -4.831 1.00 98.68 P ATOM 1407 OP1 DC C 13 -16.680 7.079 -4.191 1.00 83.62 O ATOM 1408 OP2 DC C 13 -17.361 4.824 -5.250 1.00 90.99 O ATOM 1409 O5' DC C 13 -15.408 6.053 -6.120 1.00 91.25 O ATOM 1410 C5' DC C 13 -14.506 5.058 -6.553 1.00 87.41 C ATOM 1411 C4' DC C 13 -13.155 5.668 -6.830 1.00 85.44 C ATOM 1412 O4' DC C 13 -12.097 4.782 -6.366 1.00 84.24 O ATOM 1413 C3' DC C 13 -12.885 5.924 -8.300 1.00 87.78 C ATOM 1414 O3' DC C 13 -12.210 7.168 -8.435 1.00 90.93 O ATOM 1415 C2' DC C 13 -12.010 4.728 -8.705 1.00 83.49 C ATOM 1416 C1' DC C 13 -11.214 4.488 -7.432 1.00 78.46 C ATOM 1417 N1 DC C 13 -10.729 3.077 -7.268 1.00 70.42 N ATOM 1418 C2 DC C 13 -9.358 2.799 -7.324 1.00 69.01 C ATOM 1419 O2 DC C 13 -8.565 3.719 -7.528 1.00 68.82 O ATOM 1420 N3 DC C 13 -8.937 1.518 -7.164 1.00 70.53 N ATOM 1421 C4 DC C 13 -9.826 0.542 -6.947 1.00 71.96 C ATOM 1422 N4 DC C 13 -9.361 -0.710 -6.789 1.00 71.04 N ATOM 1423 C5 DC C 13 -11.230 0.806 -6.882 1.00 67.57 C ATOM 1424 C6 DC C 13 -11.630 2.076 -7.042 1.00 71.77 C ATOM 1425 P DA C 14 -12.415 8.088 -9.740 1.00 89.27 P ATOM 1426 OP1 DA C 14 -12.978 9.380 -9.286 1.00 88.71 O ATOM 1427 OP2 DA C 14 -13.173 7.312 -10.752 1.00 90.46 O ATOM 1428 O5' DA C 14 -10.906 8.245 -10.263 1.00 86.62 O ATOM 1429 C5' DA C 14 -9.993 7.186 -9.980 1.00 81.64 C ATOM 1430 C4' DA C 14 -8.597 7.492 -10.453 1.00 79.14 C ATOM 1431 O4' DA C 14 -7.733 6.369 -10.114 1.00 81.59 O ATOM 1432 C3' DA C 14 -8.474 7.654 -11.950 1.00 82.50 C ATOM 1433 O3' DA C 14 -7.366 8.514 -12.276 1.00 87.58 O ATOM 1434 C2' DA C 14 -8.256 6.216 -12.418 1.00 78.06 C ATOM 1435 C1' DA C 14 -7.460 5.590 -11.268 1.00 76.89 C ATOM 1436 N9 DA C 14 -7.790 4.164 -11.005 1.00 73.34 N ATOM 1437 C8 DA C 14 -9.042 3.597 -10.914 1.00 71.73 C ATOM 1438 N7 DA C 14 -9.026 2.291 -10.685 1.00 68.20 N ATOM 1439 C5 DA C 14 -7.673 1.976 -10.626 1.00 68.44 C ATOM 1440 C6 DA C 14 -6.975 0.751 -10.407 1.00 73.45 C ATOM 1441 N6 DA C 14 -7.582 -0.438 -10.204 1.00 71.21 N ATOM 1442 N1 DA C 14 -5.623 0.795 -10.409 1.00 73.48 N ATOM 1443 C2 DA C 14 -5.014 1.972 -10.614 1.00 73.93 C ATOM 1444 N3 DA C 14 -5.553 3.176 -10.827 1.00 72.81 N ATOM 1445 C4 DA C 14 -6.896 3.114 -10.822 1.00 71.18 C ATOM 1446 P DC C 15 -7.276 9.194 -13.733 1.00 80.55 P ATOM 1447 OP1 DC C 15 -6.449 10.426 -13.655 1.00 63.30 O ATOM 1448 OP2 DC C 15 -8.685 9.370 -14.188 1.00 61.25 O ATOM 1449 O5' DC C 15 -6.470 8.078 -14.599 1.00 74.10 O ATOM 1450 C5' DC C 15 -5.034 8.065 -14.576 1.00 71.09 C ATOM 1451 C4' DC C 15 -4.463 6.649 -14.511 1.00 80.45 C ATOM 1452 O4' DC C 15 -5.447 5.715 -13.975 1.00 83.39 O ATOM 1453 C3' DC C 15 -4.014 6.052 -15.856 1.00 85.30 C ATOM 1454 O3' DC C 15 -2.695 5.479 -15.741 1.00 92.74 O ATOM 1455 C2' DC C 15 -5.057 4.967 -16.109 1.00 84.90 C ATOM 1456 C1' DC C 15 -5.320 4.505 -14.694 1.00 83.09 C ATOM 1457 N1 DC C 15 -6.574 3.681 -14.547 1.00 76.81 N ATOM 1458 C2 DC C 15 -6.491 2.334 -14.134 1.00 73.36 C ATOM 1459 O2 DC C 15 -5.380 1.838 -13.871 1.00 76.31 O ATOM 1460 N3 DC C 15 -7.641 1.618 -14.015 1.00 67.17 N ATOM 1461 C4 DC C 15 -8.826 2.190 -14.298 1.00 73.49 C ATOM 1462 N4 DC C 15 -9.938 1.444 -14.171 1.00 71.21 N ATOM 1463 C5 DC C 15 -8.922 3.549 -14.727 1.00 72.80 C ATOM 1464 C6 DC C 15 -7.784 4.240 -14.852 1.00 75.61 C ATOM 1465 P DT C 16 -1.904 5.007 -17.065 1.00 99.32 P ATOM 1466 OP1 DT C 16 -0.805 5.969 -17.307 1.00 97.79 O ATOM 1467 OP2 DT C 16 -2.888 4.783 -18.145 1.00 93.17 O ATOM 1468 O5' DT C 16 -1.243 3.603 -16.659 1.00 92.25 O ATOM 1469 C5' DT C 16 -1.939 2.680 -15.813 1.00 89.94 C ATOM 1470 C4' DT C 16 -1.307 1.292 -15.891 1.00 92.74 C ATOM 1471 O4' DT C 16 -2.353 0.297 -15.881 1.00 90.17 O ATOM 1472 C3' DT C 16 -0.572 1.004 -17.185 1.00 88.39 C ATOM 1473 O3' DT C 16 0.234 -0.178 -17.044 1.00 82.32 O ATOM 1474 C2' DT C 16 -1.744 0.768 -18.132 1.00 84.72 C ATOM 1475 C1' DT C 16 -2.744 0.038 -17.221 1.00 83.65 C ATOM 1476 N1 DT C 16 -4.161 0.478 -17.396 1.00 78.12 N ATOM 1477 C2 DT C 16 -5.157 -0.304 -16.881 1.00 76.40 C ATOM 1478 O2 DT C 16 -4.938 -1.344 -16.279 1.00 79.04 O ATOM 1479 N3 DT C 16 -6.426 0.172 -17.090 1.00 73.12 N ATOM 1480 C4 DT C 16 -6.794 1.327 -17.760 1.00 76.81 C ATOM 1481 O4 DT C 16 -7.972 1.672 -17.891 1.00 74.71 O ATOM 1482 C5 DT C 16 -5.699 2.106 -18.283 1.00 79.14 C ATOM 1483 C7 DT C 16 -5.974 3.384 -19.028 1.00 77.22 C ATOM 1484 C6 DT C 16 -4.444 1.647 -18.079 1.00 80.80 C TER 1485 DT C 16 ATOM 1486 O5' DA D 1 -5.654 -5.978 -18.927 1.00 75.50 O ATOM 1487 C5' DA D 1 -5.742 -7.307 -18.374 1.00 84.61 C ATOM 1488 C4' DA D 1 -5.647 -7.274 -16.852 1.00 86.52 C ATOM 1489 O4' DA D 1 -6.355 -6.104 -16.341 1.00 83.42 O ATOM 1490 C3' DA D 1 -6.275 -8.468 -16.123 1.00 88.54 C ATOM 1491 O3' DA D 1 -5.612 -8.644 -14.845 1.00 96.10 O ATOM 1492 C2' DA D 1 -7.709 -7.978 -15.939 1.00 84.98 C ATOM 1493 C1' DA D 1 -7.425 -6.541 -15.517 1.00 84.55 C ATOM 1494 N9 DA D 1 -8.553 -5.608 -15.635 1.00 78.32 N ATOM 1495 C8 DA D 1 -9.873 -5.846 -15.333 1.00 77.99 C ATOM 1496 N7 DA D 1 -10.659 -4.791 -15.504 1.00 77.28 N ATOM 1497 C5 DA D 1 -9.789 -3.792 -15.932 1.00 74.42 C ATOM 1498 C6 DA D 1 -9.983 -2.429 -16.290 1.00 75.90 C ATOM 1499 N6 DA D 1 -11.172 -1.803 -16.270 1.00 73.76 N ATOM 1500 N1 DA D 1 -8.895 -1.730 -16.669 1.00 77.86 N ATOM 1501 C2 DA D 1 -7.704 -2.348 -16.690 1.00 77.31 C ATOM 1502 N3 DA D 1 -7.393 -3.601 -16.375 1.00 77.76 N ATOM 1503 C4 DA D 1 -8.486 -4.281 -16.006 1.00 76.25 C ATOM 1504 P DG D 2 -5.611 -10.061 -14.067 1.00109.43 P ATOM 1505 OP1 DG D 2 -5.506 -11.138 -15.081 1.00101.58 O ATOM 1506 OP2 DG D 2 -6.732 -10.064 -13.087 1.00102.15 O ATOM 1507 O5' DG D 2 -4.261 -10.019 -13.195 1.00 97.43 O ATOM 1508 C5' DG D 2 -3.162 -9.180 -13.593 1.00 94.29 C ATOM 1509 C4' DG D 2 -2.838 -8.139 -12.525 1.00 94.53 C ATOM 1510 O4' DG D 2 -3.686 -6.965 -12.697 1.00 95.25 O ATOM 1511 C3' DG D 2 -3.061 -8.578 -11.073 1.00 93.57 C ATOM 1512 O3' DG D 2 -2.167 -7.868 -10.242 1.00 94.90 O ATOM 1513 C2' DG D 2 -4.479 -8.088 -10.826 1.00 90.39 C ATOM 1514 C1' DG D 2 -4.364 -6.727 -11.481 1.00 87.40 C ATOM 1515 N9 DG D 2 -5.640 -6.084 -11.744 1.00 84.14 N ATOM 1516 C8 DG D 2 -6.891 -6.630 -11.583 1.00 84.33 C ATOM 1517 N7 DG D 2 -7.857 -5.805 -11.880 1.00 82.83 N ATOM 1518 C5 DG D 2 -7.200 -4.633 -12.253 1.00 81.29 C ATOM 1519 C6 DG D 2 -7.725 -3.390 -12.675 1.00 78.05 C ATOM 1520 O6 DG D 2 -8.920 -3.065 -12.806 1.00 76.91 O ATOM 1521 N1 DG D 2 -6.707 -2.472 -12.964 1.00 76.42 N ATOM 1522 C2 DG D 2 -5.358 -2.729 -12.852 1.00 78.25 C ATOM 1523 N2 DG D 2 -4.525 -1.723 -13.170 1.00 79.01 N ATOM 1524 N3 DG D 2 -4.859 -3.889 -12.451 1.00 81.31 N ATOM 1525 C4 DG D 2 -5.835 -4.791 -12.172 1.00 81.90 C ATOM 1526 P DT D 3 -1.083 -8.624 -9.326 1.00104.30 P ATOM 1527 OP1 DT D 3 -0.481 -9.714 -10.135 1.00100.56 O ATOM 1528 OP2 DT D 3 -1.713 -8.930 -8.015 1.00 92.19 O ATOM 1529 O5' DT D 3 0.015 -7.482 -9.101 1.00 97.94 O ATOM 1530 C5' DT D 3 0.372 -6.633 -10.199 1.00 96.58 C ATOM 1531 C4' DT D 3 0.334 -5.161 -9.808 1.00 94.69 C ATOM 1532 O4' DT D 3 -0.971 -4.584 -10.099 1.00 91.06 O ATOM 1533 C3' DT D 3 0.604 -4.862 -8.328 1.00 94.85 C ATOM 1534 O3' DT D 3 1.498 -3.760 -8.239 1.00 97.16 O ATOM 1535 C2' DT D 3 -0.784 -4.494 -7.797 1.00 89.83 C ATOM 1536 C1' DT D 3 -1.339 -3.776 -9.007 1.00 88.91 C ATOM 1537 N1 DT D 3 -2.805 -3.610 -9.007 1.00 86.02 N ATOM 1538 C2 DT D 3 -3.329 -2.387 -9.363 1.00 82.71 C ATOM 1539 O2 DT D 3 -2.640 -1.430 -9.675 1.00 80.88 O ATOM 1540 N3 DT D 3 -4.695 -2.322 -9.343 1.00 79.52 N ATOM 1541 C4 DT D 3 -5.572 -3.333 -9.011 1.00 79.08 C ATOM 1542 O4 DT D 3 -6.790 -3.171 -9.027 1.00 77.40 O ATOM 1543 C5 DT D 3 -4.954 -4.595 -8.646 1.00 83.32 C ATOM 1544 C7 DT D 3 -5.803 -5.771 -8.261 1.00 80.99 C ATOM 1545 C6 DT D 3 -3.612 -4.670 -8.661 1.00 83.16 C ATOM 1546 P DG D 4 2.468 -3.590 -6.970 1.00105.09 P ATOM 1547 OP1 DG D 4 3.869 -3.676 -7.460 1.00 97.80 O ATOM 1548 OP2 DG D 4 1.972 -4.501 -5.905 1.00 92.98 O ATOM 1549 O5' DG D 4 2.197 -2.083 -6.498 1.00 98.27 O ATOM 1550 C5' DG D 4 2.042 -1.050 -7.472 1.00 94.84 C ATOM 1551 C4' DG D 4 1.014 -0.030 -7.011 1.00 92.22 C ATOM 1552 O4' DG D 4 -0.306 -0.563 -7.180 1.00 89.21 O ATOM 1553 C3' DG D 4 1.107 0.351 -5.537 1.00 92.14 C ATOM 1554 O3' DG D 4 1.795 1.590 -5.416 1.00 96.11 O ATOM 1555 C2' DG D 4 -0.356 0.461 -5.073 1.00 85.24 C ATOM 1556 C1' DG D 4 -1.169 0.121 -6.319 1.00 85.56 C ATOM 1557 N9 DG D 4 -2.298 -0.748 -6.043 1.00 81.50 N ATOM 1558 C8 DG D 4 -2.250 -2.007 -5.505 1.00 81.01 C ATOM 1559 N7 DG D 4 -3.425 -2.558 -5.372 1.00 81.19 N ATOM 1560 C5 DG D 4 -4.310 -1.598 -5.858 1.00 78.34 C ATOM 1561 C6 DG D 4 -5.724 -1.630 -5.968 1.00 76.53 C ATOM 1562 O6 DG D 4 -6.499 -2.545 -5.646 1.00 77.20 O ATOM 1563 N1 DG D 4 -6.228 -0.449 -6.518 1.00 72.57 N ATOM 1564 C2 DG D 4 -5.461 0.622 -6.908 1.00 73.56 C ATOM 1565 N2 DG D 4 -6.124 1.670 -7.409 1.00 75.31 N ATOM 1566 N3 DG D 4 -4.135 0.664 -6.814 1.00 75.92 N ATOM 1567 C4 DG D 4 -3.630 -0.479 -6.279 1.00 78.14 C ATOM 1568 P DG D 5 2.093 2.238 -3.975 1.00102.80 P ATOM 1569 OP1 DG D 5 3.498 2.711 -3.993 1.00 96.21 O ATOM 1570 OP2 DG D 5 1.648 1.296 -2.918 1.00 92.41 O ATOM 1571 O5' DG D 5 1.133 3.515 -3.944 1.00 90.50 O ATOM 1572 C5' DG D 5 0.469 3.920 -5.131 1.00 89.44 C ATOM 1573 C4' DG D 5 -0.815 4.637 -4.790 1.00 85.48 C ATOM 1574 O4' DG D 5 -1.941 3.725 -4.903 1.00 83.80 O ATOM 1575 C3' DG D 5 -0.867 5.206 -3.372 1.00 80.24 C ATOM 1576 O3' DG D 5 -1.406 6.518 -3.430 1.00 85.91 O ATOM 1577 C2' DG D 5 -1.802 4.234 -2.643 1.00 78.44 C ATOM 1578 C1' DG D 5 -2.757 3.861 -3.763 1.00 77.65 C ATOM 1579 N9 DG D 5 -3.481 2.607 -3.558 1.00 72.28 N ATOM 1580 C8 DG D 5 -2.943 1.370 -3.299 1.00 73.85 C ATOM 1581 N7 DG D 5 -3.839 0.424 -3.189 1.00 73.24 N ATOM 1582 C5 DG D 5 -5.051 1.074 -3.395 1.00 72.10 C ATOM 1583 C6 DG D 5 -6.379 0.565 -3.391 1.00 69.20 C ATOM 1584 O6 DG D 5 -6.757 -0.600 -3.205 1.00 69.56 O ATOM 1585 N1 DG D 5 -7.315 1.563 -3.637 1.00 67.16 N ATOM 1586 C2 DG D 5 -7.011 2.887 -3.866 1.00 69.15 C ATOM 1587 N2 DG D 5 -8.052 3.706 -4.085 1.00 66.27 N ATOM 1588 N3 DG D 5 -5.772 3.377 -3.871 1.00 65.59 N ATOM 1589 C4 DG D 5 -4.847 2.418 -3.629 1.00 69.77 C ATOM 1590 P DG D 6 -1.229 7.552 -2.211 1.00 84.27 P ATOM 1591 OP1 DG D 6 -0.465 8.720 -2.713 1.00 76.41 O ATOM 1592 OP2 DG D 6 -0.745 6.802 -1.031 1.00 84.73 O ATOM 1593 O5' DG D 6 -2.730 8.029 -1.939 1.00 76.29 O ATOM 1594 C5' DG D 6 -3.549 8.407 -3.042 1.00 76.34 C ATOM 1595 C4' DG D 6 -4.998 8.541 -2.617 1.00 73.32 C ATOM 1596 O4' DG D 6 -5.619 7.230 -2.575 1.00 78.25 O ATOM 1597 C3' DG D 6 -5.210 9.170 -1.249 1.00 69.48 C ATOM 1598 O3' DG D 6 -6.300 10.085 -1.308 1.00 65.83 O ATOM 1599 C2' DG D 6 -5.494 7.973 -0.336 1.00 66.55 C ATOM 1600 C1' DG D 6 -6.124 6.953 -1.284 1.00 67.43 C ATOM 1601 N9 DG D 6 -5.789 5.557 -0.962 1.00 67.51 N ATOM 1602 C8 DG D 6 -4.528 5.033 -0.774 1.00 67.49 C ATOM 1603 N7 DG D 6 -4.527 3.752 -0.501 1.00 66.99 N ATOM 1604 C5 DG D 6 -5.875 3.396 -0.520 1.00 64.53 C ATOM 1605 C6 DG D 6 -6.494 2.134 -0.307 1.00 64.48 C ATOM 1606 O6 DG D 6 -5.959 1.043 -0.044 1.00 66.59 O ATOM 1607 N1 DG D 6 -7.879 2.216 -0.412 1.00 64.14 N ATOM 1608 C2 DG D 6 -8.577 3.364 -0.692 1.00 63.28 C ATOM 1609 N2 DG D 6 -9.909 3.245 -0.745 1.00 65.77 N ATOM 1610 N3 DG D 6 -8.012 4.549 -0.905 1.00 61.34 N ATOM 1611 C4 DG D 6 -6.665 4.493 -0.803 1.00 63.11 C ATOM 1612 P DA D 7 -6.757 10.887 0.002 1.00 72.24 P ATOM 1613 OP1 DA D 7 -7.200 12.223 -0.443 1.00 69.55 O ATOM 1614 OP2 DA D 7 -5.770 10.690 1.103 1.00 62.79 O ATOM 1615 O5' DA D 7 -8.082 10.147 0.444 1.00 65.67 O ATOM 1616 C5' DA D 7 -9.064 9.867 -0.512 1.00 63.67 C ATOM 1617 C4' DA D 7 -10.157 9.062 0.125 1.00 55.81 C ATOM 1618 O4' DA D 7 -9.716 7.702 0.277 1.00 57.78 O ATOM 1619 C3' DA D 7 -10.571 9.553 1.509 1.00 49.30 C ATOM 1620 O3' DA D 7 -11.942 9.748 1.491 1.00 43.95 O ATOM 1621 C2' DA D 7 -10.143 8.431 2.474 1.00 53.95 C ATOM 1622 C1' DA D 7 -10.048 7.216 1.565 1.00 56.89 C ATOM 1623 N9 DA D 7 -9.003 6.259 1.916 1.00 56.58 N ATOM 1624 C8 DA D 7 -7.651 6.462 1.859 1.00 57.95 C ATOM 1625 N7 DA D 7 -6.942 5.407 2.164 1.00 55.68 N ATOM 1626 C5 DA D 7 -7.894 4.430 2.408 1.00 58.04 C ATOM 1627 C6 DA D 7 -7.792 3.072 2.777 1.00 57.69 C ATOM 1628 N6 DA D 7 -6.624 2.445 2.976 1.00 53.53 N ATOM 1629 N1 DA D 7 -8.941 2.384 2.940 1.00 56.71 N ATOM 1630 C2 DA D 7 -10.106 3.011 2.745 1.00 55.62 C ATOM 1631 N3 DA D 7 -10.327 4.275 2.400 1.00 57.63 N ATOM 1632 C4 DA D 7 -9.169 4.936 2.244 1.00 56.54 C ATOM 1633 P DA D 8 -12.701 10.358 2.739 1.00 49.11 P ATOM 1634 OP1 DA D 8 -13.980 10.921 2.272 1.00 46.44 O ATOM 1635 OP2 DA D 8 -11.739 11.186 3.492 1.00 48.76 O ATOM 1636 O5' DA D 8 -13.052 9.046 3.607 1.00 52.31 O ATOM 1637 C5' DA D 8 -13.842 8.006 3.016 1.00 53.21 C ATOM 1638 C4' DA D 8 -14.153 6.894 4.019 1.00 54.99 C ATOM 1639 O4' DA D 8 -13.021 5.996 4.125 1.00 53.43 O ATOM 1640 C3' DA D 8 -14.481 7.357 5.444 1.00 56.16 C ATOM 1641 O3' DA D 8 -15.606 6.627 5.914 1.00 57.88 O ATOM 1642 C2' DA D 8 -13.208 7.023 6.226 1.00 51.64 C ATOM 1643 C1' DA D 8 -12.713 5.792 5.486 1.00 57.52 C ATOM 1644 N9 DA D 8 -11.277 5.569 5.589 1.00 57.28 N ATOM 1645 C8 DA D 8 -10.279 6.497 5.479 1.00 51.56 C ATOM 1646 N7 DA D 8 -9.073 5.984 5.596 1.00 52.71 N ATOM 1647 C5 DA D 8 -9.304 4.629 5.799 1.00 50.97 C ATOM 1648 C6 DA D 8 -8.442 3.526 6.008 1.00 53.07 C ATOM 1649 N6 DA D 8 -7.108 3.614 6.040 1.00 47.41 N ATOM 1650 N1 DA D 8 -9.011 2.315 6.163 1.00 56.12 N ATOM 1651 C2 DA D 8 -10.344 2.220 6.123 1.00 56.86 C ATOM 1652 N3 DA D 8 -11.249 3.174 5.954 1.00 52.35 N ATOM 1653 C4 DA D 8 -10.658 4.364 5.794 1.00 54.52 C ATOM 1654 P DT D 9 -16.368 7.011 7.277 1.00 64.57 P ATOM 1655 OP1 DT D 9 -17.676 7.578 6.897 1.00 70.08 O ATOM 1656 OP2 DT D 9 -15.511 7.824 8.172 1.00 63.73 O ATOM 1657 O5' DT D 9 -16.570 5.556 7.929 1.00 71.41 O ATOM 1658 C5' DT D 9 -16.564 4.422 7.053 1.00 64.36 C ATOM 1659 C4' DT D 9 -16.125 3.146 7.755 1.00 66.50 C ATOM 1660 O4' DT D 9 -14.679 3.002 7.720 1.00 62.91 O ATOM 1661 C3' DT D 9 -16.543 3.006 9.216 1.00 68.46 C ATOM 1662 O3' DT D 9 -17.039 1.686 9.409 1.00 71.91 O ATOM 1663 C2' DT D 9 -15.237 3.240 9.976 1.00 62.03 C ATOM 1664 C1' DT D 9 -14.212 2.662 9.009 1.00 61.99 C ATOM 1665 N1 DT D 9 -12.869 3.252 9.164 1.00 59.31 N ATOM 1666 C2 DT D 9 -11.760 2.437 9.156 1.00 59.39 C ATOM 1667 O2 DT D 9 -11.816 1.231 9.035 1.00 63.83 O ATOM 1668 N3 DT D 9 -10.568 3.091 9.288 1.00 56.04 N ATOM 1669 C4 DT D 9 -10.379 4.452 9.427 1.00 56.11 C ATOM 1670 O4 DT D 9 -9.261 4.946 9.540 1.00 57.71 O ATOM 1671 C5 DT D 9 -11.585 5.248 9.422 1.00 54.81 C ATOM 1672 C7 DT D 9 -11.511 6.738 9.560 1.00 52.69 C ATOM 1673 C6 DT D 9 -12.756 4.617 9.292 1.00 55.82 C ATOM 1674 P DT D 10 -17.738 1.237 10.787 1.00 70.51 P ATOM 1675 OP1 DT D 10 -18.895 0.409 10.391 1.00 73.99 O ATOM 1676 OP2 DT D 10 -17.980 2.399 11.671 1.00 71.60 O ATOM 1677 O5' DT D 10 -16.631 0.282 11.424 1.00 63.99 O ATOM 1678 C5' DT D 10 -15.936 -0.605 10.572 1.00 60.63 C ATOM 1679 C4' DT D 10 -14.837 -1.300 11.330 1.00 66.77 C ATOM 1680 O4' DT D 10 -13.628 -0.498 11.298 1.00 63.66 O ATOM 1681 C3' DT D 10 -15.153 -1.560 12.804 1.00 71.97 C ATOM 1682 O3' DT D 10 -14.888 -2.947 13.101 1.00 73.44 O ATOM 1683 C2' DT D 10 -14.224 -0.584 13.557 1.00 65.25 C ATOM 1684 C1' DT D 10 -13.056 -0.452 12.588 1.00 63.86 C ATOM 1685 N1 DT D 10 -12.318 0.826 12.695 1.00 60.97 N ATOM 1686 C2 DT D 10 -10.942 0.819 12.593 1.00 60.21 C ATOM 1687 O2 DT D 10 -10.288 -0.195 12.461 1.00 60.91 O ATOM 1688 N3 DT D 10 -10.356 2.054 12.666 1.00 60.95 N ATOM 1689 C4 DT D 10 -10.993 3.271 12.825 1.00 59.15 C ATOM 1690 O4 DT D 10 -10.372 4.324 12.886 1.00 58.63 O ATOM 1691 C5 DT D 10 -12.439 3.207 12.917 1.00 58.16 C ATOM 1692 C7 DT D 10 -13.245 4.460 13.088 1.00 57.03 C ATOM 1693 C6 DT D 10 -13.023 2.002 12.840 1.00 59.72 C ATOM 1694 P DT D 11 -15.173 -3.578 14.560 1.00 75.70 P ATOM 1695 OP1 DT D 11 -15.476 -5.003 14.297 1.00 72.59 O ATOM 1696 OP2 DT D 11 -16.129 -2.757 15.343 1.00 65.64 O ATOM 1697 O5' DT D 11 -13.737 -3.514 15.231 1.00 56.60 O ATOM 1698 C5' DT D 11 -12.650 -4.096 14.541 1.00 57.23 C ATOM 1699 C4' DT D 11 -11.353 -3.766 15.234 1.00 61.05 C ATOM 1700 O4' DT D 11 -11.023 -2.380 15.026 1.00 63.19 O ATOM 1701 C3' DT D 11 -11.384 -3.959 16.754 1.00 61.83 C ATOM 1702 O3' DT D 11 -10.625 -5.118 17.092 1.00 65.92 O ATOM 1703 C2' DT D 11 -10.759 -2.666 17.320 1.00 61.58 C ATOM 1704 C1' DT D 11 -10.192 -1.981 16.074 1.00 60.00 C ATOM 1705 N1 DT D 11 -10.179 -0.489 16.142 1.00 49.93 N ATOM 1706 C2 DT D 11 -8.971 0.161 16.131 1.00 58.27 C ATOM 1707 O2 DT D 11 -7.903 -0.422 16.068 1.00 59.89 O ATOM 1708 N3 DT D 11 -9.047 1.528 16.184 1.00 58.12 N ATOM 1709 C4 DT D 11 -10.188 2.293 16.256 1.00 57.89 C ATOM 1710 O4 DT D 11 -10.147 3.525 16.308 1.00 61.92 O ATOM 1711 C5 DT D 11 -11.431 1.547 16.270 1.00 56.35 C ATOM 1712 C7 DT D 11 -12.741 2.269 16.354 1.00 61.03 C ATOM 1713 C6 DT D 11 -11.365 0.204 16.213 1.00 54.81 C ATOM 1714 P DC D 12 -10.624 -5.705 18.592 1.00 63.69 P ATOM 1715 OP1 DC D 12 -10.389 -7.162 18.416 1.00 62.20 O ATOM 1716 OP2 DC D 12 -11.833 -5.217 19.308 1.00 59.40 O ATOM 1717 O5' DC D 12 -9.316 -5.049 19.231 1.00 57.39 O ATOM 1718 C5' DC D 12 -8.060 -5.266 18.605 1.00 54.50 C ATOM 1719 C4' DC D 12 -6.994 -4.345 19.181 1.00 61.89 C ATOM 1720 O4' DC D 12 -7.257 -2.945 18.820 1.00 60.62 O ATOM 1721 C3' DC D 12 -6.869 -4.368 20.709 1.00 51.19 C ATOM 1722 O3' DC D 12 -5.496 -4.292 21.035 1.00 63.40 O ATOM 1723 C2' DC D 12 -7.594 -3.093 21.115 1.00 58.83 C ATOM 1724 C1' DC D 12 -7.148 -2.161 19.983 1.00 59.20 C ATOM 1725 N1 DC D 12 -7.991 -0.931 19.841 1.00 54.49 N ATOM 1726 C2 DC D 12 -7.382 0.328 19.719 1.00 54.11 C ATOM 1727 O2 DC D 12 -6.145 0.413 19.705 1.00 53.56 O ATOM 1728 N3 DC D 12 -8.165 1.420 19.613 1.00 51.26 N ATOM 1729 C4 DC D 12 -9.485 1.297 19.628 1.00 52.94 C ATOM 1730 N4 DC D 12 -10.210 2.410 19.520 1.00 55.53 N ATOM 1731 C5 DC D 12 -10.124 0.035 19.776 1.00 53.78 C ATOM 1732 C6 DC D 12 -9.346 -1.039 19.885 1.00 54.01 C ATOM 1733 P DC D 13 -4.975 -4.615 22.520 1.00 61.98 P ATOM 1734 OP1 DC D 13 -3.950 -5.673 22.342 1.00 59.99 O ATOM 1735 OP2 DC D 13 -6.164 -4.783 23.397 1.00 57.94 O ATOM 1736 O5' DC D 13 -4.210 -3.287 22.954 1.00 58.30 O ATOM 1737 C5' DC D 13 -2.939 -2.990 22.394 1.00 58.09 C ATOM 1738 C4' DC D 13 -2.624 -1.518 22.554 1.00 61.15 C ATOM 1739 O4' DC D 13 -3.632 -0.737 21.876 1.00 59.42 O ATOM 1740 C3' DC D 13 -2.672 -1.012 23.980 1.00 62.38 C ATOM 1741 O3' DC D 13 -1.436 -1.255 24.623 1.00 66.41 O ATOM 1742 C2' DC D 13 -2.906 0.483 23.784 1.00 60.23 C ATOM 1743 C1' DC D 13 -3.760 0.517 22.515 1.00 52.22 C ATOM 1744 N1 DC D 13 -5.197 0.782 22.756 1.00 53.80 N ATOM 1745 C2 DC D 13 -5.613 2.092 22.952 1.00 53.91 C ATOM 1746 O2 DC D 13 -4.765 2.990 22.942 1.00 56.98 O ATOM 1747 N3 DC D 13 -6.928 2.344 23.164 1.00 50.76 N ATOM 1748 C4 DC D 13 -7.808 1.345 23.163 1.00 51.70 C ATOM 1749 N4 DC D 13 -9.092 1.651 23.366 1.00 50.42 N ATOM 1750 C5 DC D 13 -7.404 -0.009 22.976 1.00 53.70 C ATOM 1751 C6 DC D 13 -6.098 -0.245 22.774 1.00 55.92 C ATOM 1752 P DA D 14 -1.374 -1.284 26.222 1.00 59.53 P ATOM 1753 OP1 DA D 14 -0.120 -1.987 26.561 1.00 59.88 O ATOM 1754 OP2 DA D 14 -2.705 -1.735 26.702 1.00 61.82 O ATOM 1755 O5' DA D 14 -1.243 0.246 26.652 1.00 62.16 O ATOM 1756 C5' DA D 14 -0.180 1.030 26.132 1.00 65.70 C ATOM 1757 C4' DA D 14 -0.393 2.494 26.448 1.00 61.61 C ATOM 1758 O4' DA D 14 -1.651 2.933 25.859 1.00 63.09 O ATOM 1759 C3' DA D 14 -0.461 2.812 27.936 1.00 64.42 C ATOM 1760 O3' DA D 14 0.387 3.920 28.228 1.00 74.30 O ATOM 1761 C2' DA D 14 -1.939 3.136 28.185 1.00 65.34 C ATOM 1762 C1' DA D 14 -2.441 3.599 26.813 1.00 61.27 C ATOM 1763 N9 DA D 14 -3.844 3.248 26.578 1.00 59.49 N ATOM 1764 C8 DA D 14 -4.360 1.988 26.442 1.00 61.25 C ATOM 1765 N7 DA D 14 -5.662 1.961 26.262 1.00 59.05 N ATOM 1766 C5 DA D 14 -6.031 3.293 26.293 1.00 57.07 C ATOM 1767 C6 DA D 14 -7.279 3.932 26.165 1.00 57.75 C ATOM 1768 N6 DA D 14 -8.422 3.270 25.970 1.00 57.66 N ATOM 1769 N1 DA D 14 -7.305 5.281 26.238 1.00 58.11 N ATOM 1770 C2 DA D 14 -6.154 5.934 26.429 1.00 59.29 C ATOM 1771 N3 DA D 14 -4.919 5.440 26.566 1.00 60.53 N ATOM 1772 C4 DA D 14 -4.926 4.104 26.489 1.00 56.73 C ATOM 1773 P DC D 15 0.633 4.385 29.746 1.00 79.62 P ATOM 1774 OP1 DC D 15 1.857 5.223 29.772 1.00 73.36 O ATOM 1775 OP2 DC D 15 0.507 3.183 30.597 1.00 78.26 O ATOM 1776 O5' DC D 15 -0.616 5.328 30.070 1.00 73.65 O ATOM 1777 C5' DC D 15 -0.839 6.480 29.292 1.00 68.42 C ATOM 1778 C4' DC D 15 -2.112 7.171 29.719 1.00 68.46 C ATOM 1779 O4' DC D 15 -3.255 6.412 29.265 1.00 66.14 O ATOM 1780 C3' DC D 15 -2.290 7.331 31.233 1.00 71.40 C ATOM 1781 O3' DC D 15 -2.674 8.664 31.517 1.00 77.13 O ATOM 1782 C2' DC D 15 -3.418 6.357 31.557 1.00 67.63 C ATOM 1783 C1' DC D 15 -4.219 6.433 30.277 1.00 65.13 C ATOM 1784 N1 DC D 15 -5.120 5.296 30.071 1.00 63.59 N ATOM 1785 C2 DC D 15 -6.438 5.537 29.696 1.00 61.23 C ATOM 1786 O2 DC D 15 -6.812 6.701 29.559 1.00 58.81 O ATOM 1787 N3 DC D 15 -7.269 4.488 29.508 1.00 61.72 N ATOM 1788 C4 DC D 15 -6.817 3.243 29.668 1.00 61.53 C ATOM 1789 N4 DC D 15 -7.670 2.238 29.459 1.00 55.33 N ATOM 1790 C5 DC D 15 -5.465 2.977 30.046 1.00 61.77 C ATOM 1791 C6 DC D 15 -4.658 4.025 30.234 1.00 59.29 C ATOM 1792 P DT D 16 -2.329 9.320 32.939 1.00 82.62 P ATOM 1793 OP1 DT D 16 -1.447 10.473 32.639 1.00 79.10 O ATOM 1794 OP2 DT D 16 -1.922 8.253 33.889 1.00 75.83 O ATOM 1795 O5' DT D 16 -3.741 9.848 33.449 1.00 79.71 O ATOM 1796 C5' DT D 16 -4.875 9.017 33.323 1.00 73.54 C ATOM 1797 C4' DT D 16 -6.104 9.841 33.018 1.00 74.08 C ATOM 1798 O4' DT D 16 -7.050 9.027 32.296 1.00 73.61 O ATOM 1799 C3' DT D 16 -6.865 10.319 34.241 1.00 77.64 C ATOM 1800 O3' DT D 16 -7.670 11.447 33.899 1.00 83.02 O ATOM 1801 C2' DT D 16 -7.722 9.100 34.560 1.00 75.66 C ATOM 1802 C1' DT D 16 -8.103 8.634 33.161 1.00 70.20 C ATOM 1803 N1 DT D 16 -8.273 7.168 33.040 1.00 69.31 N ATOM 1804 C2 DT D 16 -9.483 6.673 32.618 1.00 71.57 C ATOM 1805 O2 DT D 16 -10.442 7.384 32.351 1.00 71.97 O ATOM 1806 N3 DT D 16 -9.540 5.309 32.523 1.00 68.85 N ATOM 1807 C4 DT D 16 -8.527 4.411 32.792 1.00 68.59 C ATOM 1808 O4 DT D 16 -8.678 3.199 32.676 1.00 70.05 O ATOM 1809 C5 DT D 16 -7.278 4.996 33.224 1.00 66.34 C ATOM 1810 C7 DT D 16 -6.107 4.117 33.546 1.00 64.40 C ATOM 1811 C6 DT D 16 -7.210 6.333 33.323 1.00 66.00 C TER 1812 DT D 16 HETATM 1813 ZN ZN A 601 -14.257 15.812 8.559 1.00 49.94 ZN HETATM 1814 ZN ZN A 602 -8.993 23.505 -3.807 1.00 33.55 ZN HETATM 1815 ZN ZN B 601 -14.978 22.110 -10.678 1.00 34.30 ZN HETATM 1816 ZN ZN B 602 -7.799 13.437 -21.106 1.00 48.99 ZN HETATM 1817 O HOH A 701 -14.915 24.489 2.916 1.00 50.10 O HETATM 1818 O HOH A 702 -2.667 22.447 0.937 1.00 32.08 O HETATM 1819 O HOH A 703 -9.530 14.505 0.631 1.00 40.78 O HETATM 1820 O HOH A 704 -11.857 26.124 1.817 1.00 46.15 O HETATM 1821 O HOH A 705 -8.960 20.992 -6.848 1.00 30.41 O HETATM 1822 O HOH A 706 -11.814 26.956 -5.467 1.00 36.17 O HETATM 1823 O HOH A 707 -10.277 25.623 9.003 1.00 44.36 O HETATM 1824 O HOH A 708 1.719 18.297 13.259 1.00 40.45 O HETATM 1825 O HOH A 709 -15.282 28.254 0.191 1.00 43.38 O HETATM 1826 O HOH A 710 -5.684 18.971 -4.387 1.00 38.50 O HETATM 1827 O HOH A 711 -3.804 12.241 3.218 1.00 45.69 O HETATM 1828 O HOH B 701 -13.470 24.463 -16.614 1.00 41.39 O HETATM 1829 O HOH B 702 -13.953 26.027 -10.179 1.00 31.46 O HETATM 1830 O HOH B 703 -21.960 13.469 -6.690 1.00 63.78 O HETATM 1831 O HOH B 704 -20.994 21.567 -10.259 1.00 32.40 O HETATM 1832 O HOH B 705 -24.541 12.031 -16.478 1.00 59.54 O HETATM 1833 O HOH B 706 -14.386 20.247 -7.042 1.00 32.80 O HETATM 1834 O HOH B 707 -12.793 27.923 -7.698 1.00 31.54 O HETATM 1835 O HOH B 708 -17.035 17.310 -8.882 1.00 37.97 O HETATM 1836 O HOH B 709 -19.549 15.235 -6.637 1.00 47.93 O HETATM 1837 O HOH B 710 -9.698 27.310 -11.828 1.00 42.12 O HETATM 1838 O HOH C 101 -7.884 -0.592 -13.582 1.00 70.86 O HETATM 1839 O HOH C 102 -13.231 1.333 4.542 1.00 55.93 O HETATM 1840 O HOH C 103 -7.012 15.993 20.142 1.00 46.22 O HETATM 1841 O HOH C 104 -9.656 8.251 17.952 1.00 50.45 O HETATM 1842 O HOH C 105 -3.336 6.877 11.505 1.00 54.43 O HETATM 1843 O HOH D 101 -5.784 -2.551 -1.212 1.00 65.80 O HETATM 1844 O HOH D 102 -4.463 -2.289 17.844 1.00 65.54 O HETATM 1845 O HOH D 103 -2.561 -1.220 18.776 1.00 63.01 O CONECT 30 1813 CONECT 51 1813 CONECT 149 1813 CONECT 165 1813 CONECT 301 1814 CONECT 343 1814 CONECT 429 1814 CONECT 447 1814 CONECT 629 1816 CONECT 650 1816 CONECT 748 1816 CONECT 764 1816 CONECT 900 1815 CONECT 942 1815 CONECT 1028 1815 CONECT 1046 1815 CONECT 1813 30 51 149 165 CONECT 1814 301 343 429 447 CONECT 1815 900 942 1028 1046 CONECT 1816 629 650 748 764 MASTER 398 0 4 4 4 0 4 6 1841 4 20 22 END
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Related entries of code: 5e6c
Entries with 90% protein sequence similarity cutoff in PDBbind
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Entry Information
PDB ID
5e6c
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
Glucocorticoid receptor DNA binding domain
Ligand Name
CCL2 NF-kappa B response element DNA
EC.Number
E.C.-.-.-.-
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
Kd=67.9uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Nat Commun Vol. 9: pp. 1337-1337
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P04150
Entrez Gene ID
NCBI Entrez Gene ID:
2908
ASD
Information of known allosteric effects of PDB entries
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