HEADER LIGASE 19-MAR-05 1Z5S TITLE CRYSTAL STRUCTURE OF A COMPLEX BETWEEN UBC9, SUMO-1, TITLE 2 RANGAP1 AND NUP358/RANBP2 COMPND MOL_ID: 1; COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2 I; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: UBIQUITIN-PROTEIN LIGASE I, UBIQUITIN CARRIER COMPND 5 PROTEIN I, SUMO-1-PROTEIN LIGASE, SUMO- 1 CONJUGATING COMPND 6 ENZYME, UBIQUITIN CARRIER PROTEIN 9, P18; COMPND 7 EC: 6.3.2.19; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 2; COMPND 10 MOLECULE: UBIQUITIN-LIKE PROTEIN SMT3C; COMPND 11 CHAIN: B; COMPND 12 SYNONYM: UBIQUITIN-HOMOLOGY DOMAIN PROTEIN PIC1, UBIQUITIN- COMPND 13 LIKE PROTEIN UBL1, UBIQUITIN-RELATED PROTEIN SUMO-1, GAP COMPND 14 MODIFYING PROTEIN 1, GMP1, SENTRIN, OK/SW-CL.43; COMPND 15 ENGINEERED: YES; COMPND 16 MOL_ID: 3; COMPND 17 MOLECULE: RAN GTPASE-ACTIVATING PROTEIN 1; COMPND 18 CHAIN: C; COMPND 19 FRAGMENT: C-TERMINAL DOMAIN; COMPND 20 ENGINEERED: YES; COMPND 21 MOL_ID: 4; COMPND 22 MOLECULE: RAN-BINDING PROTEIN 2; COMPND 23 CHAIN: D; COMPND 24 FRAGMENT: IR1-M DOMAIN; COMPND 25 SYNONYM: RANBP2, NUCLEAR PORE COMPLEX PROTEIN NUP358, COMPND 26 NUCLEOPORIN NUP358, 358 KDA NUCLEOPORIN, P270; COMPND 27 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: UBE2I, UBC9, UBCE9; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21DE3; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET28B; SOURCE 11 MOL_ID: 2; SOURCE 12 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 13 ORGANISM_COMMON: HUMAN; SOURCE 14 ORGANISM_TAXID: 9606; SOURCE 15 GENE: UBL1, SMT3C, SMT3H3; SOURCE 16 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 17 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 18 EXPRESSION_SYSTEM_STRAIN: BL21DE3; SOURCE 19 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 20 EXPRESSION_SYSTEM_PLASMID: PET28B; SOURCE 21 MOL_ID: 3; SOURCE 22 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 23 ORGANISM_COMMON: HUMAN; SOURCE 24 ORGANISM_TAXID: 9606; SOURCE 25 GENE: RANGAP1; SOURCE 26 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 27 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 28 EXPRESSION_SYSTEM_STRAIN: BL21DE3; SOURCE 29 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 30 EXPRESSION_SYSTEM_PLASMID: PSMT3; SOURCE 31 MOL_ID: 4; SOURCE 32 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 33 ORGANISM_COMMON: HUMAN; SOURCE 34 ORGANISM_TAXID: 9606; SOURCE 35 GENE: RANBP2, NUP358; SOURCE 36 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 37 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 38 EXPRESSION_SYSTEM_STRAIN: BL21DE3; SOURCE 39 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 40 EXPRESSION_SYSTEM_PLASMID: PSMT3 KEYWDS E3, LIGASE, SUMO, UBC9, NUCLEAR PORE COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR D.REVERTER,C.D.LIMA REVDAT 2 24-FEB-09 1Z5S 1 VERSN REVDAT 1 07-JUN-05 1Z5S 0 JRNL AUTH D.REVERTER,C.D.LIMA JRNL TITL INSIGHTS INTO E3 LIGASE ACTIVITY REVEALED BY A JRNL TITL 2 SUMO-RANGAP1-UBC9-NUP358 COMPLEX. JRNL REF NATURE V. 435 687 2005 JRNL REFN ISSN 0028-0836 JRNL PMID 15931224 JRNL DOI 10.1038/NATURE03588 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 3.01 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 3.01 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.69 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 2281669.870 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 96.5 REMARK 3 NUMBER OF REFLECTIONS : 16461 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.247 REMARK 3 FREE R VALUE : 0.290 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 REMARK 3 FREE R VALUE TEST SET COUNT : 832 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.010 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 3.01 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 3.19 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 86.20 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2299 REMARK 3 BIN R VALUE (WORKING SET) : 0.4250 REMARK 3 BIN FREE R VALUE : 0.4320 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.00 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 122 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.039 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 3564 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 28 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 74.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 90.00 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -15.45000 REMARK 3 B22 (A**2) : -15.45000 REMARK 3 B33 (A**2) : 30.91000 REMARK 3 B12 (A**2) : 17.61000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.47 REMARK 3 ESD FROM SIGMAA (A) : 0.99 REMARK 3 LOW RESOLUTION CUTOFF (A) : 8.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.57 REMARK 3 ESD FROM C-V SIGMAA (A) : 1.16 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.006 REMARK 3 BOND ANGLES (DEGREES) : 1.20 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 21.40 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.84 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 2.270 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 3.980 ; 3.500 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.800 ; 2.500 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 4.720 ; 4.000 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.27 REMARK 3 BSOL : 13.94 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : DNA-RNA_REP.PARAM REMARK 3 PARAMETER FILE 3 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 4 : ION.PARAM REMARK 3 PARAMETER FILE 5 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : DNA-RNA.TOP REMARK 3 TOPOLOGY FILE 3 : WATER.TOP REMARK 3 TOPOLOGY FILE 4 : ION.TOP REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: BULK SOLVENT MODEL USED REMARK 4 REMARK 4 1Z5S COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-MAR-05. REMARK 100 THE RCSB ID CODE IS RCSB032333. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 24-AUG-04 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 31-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9793 REMARK 200 MONOCHROMATOR : DIAMOND REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 16464 REMARK 200 RESOLUTION RANGE HIGH (A) : 3.000 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.0 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : 0.07500 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 15.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.00 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 3.11 REMARK 200 COMPLETENESS FOR SHELL (%) : 91.8 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.46400 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.100 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: RANGAP1-UBC9 COMPLEX REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 67.73 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.81 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 18% PEG4000 (W/V), 0.1 M SODIUM REMARK 280 CITRATE, 0.2 M AMMONIUM ACETATE, PH 5.0, VAPOR DIFFUSION, REMARK 280 HANGING DROP, TEMPERATURE 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+1/3 REMARK 290 6555 -X,-X+Y,-Z+2/3 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 39.74200 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 19.87100 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 19.87100 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 39.74200 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 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 1 REMARK 465 SER A 158 REMARK 465 MET B 16 REMARK 465 GLY B 17 REMARK 465 GLU B 18 REMARK 465 GLY B 19 REMARK 465 SER C 416 REMARK 465 LEU C 417 REMARK 465 ASN C 418 REMARK 465 THR C 419 REMARK 465 GLY C 420 REMARK 465 GLU C 421 REMARK 465 PRO C 422 REMARK 465 ALA C 423 REMARK 465 PRO C 424 REMARK 465 VAL C 425 REMARK 465 LEU C 426 REMARK 465 SER C 427 REMARK 465 SER C 428 REMARK 465 PRO C 429 REMARK 465 PRO C 430 REMARK 465 PRO C 431 REMARK 465 GLU D 2694 REMARK 465 LYS D 2695 REMARK 465 CYS D 2696 REMARK 465 ARG D 2697 REMARK 465 PRO D 2698 REMARK 465 LEU D 2699 REMARK 465 GLU D 2700 REMARK 465 GLU D 2701 REMARK 465 ASN D 2702 REMARK 465 THR D 2703 REMARK 465 ALA D 2704 REMARK 465 ASP D 2705 REMARK 465 ASN D 2706 REMARK 465 GLU D 2707 REMARK 465 LYS D 2708 REMARK 465 GLU D 2709 REMARK 465 CYS D 2710 REMARK 465 ILE D 2711 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 SER A 2 CB OG REMARK 470 LYS A 18 CG CD CE NZ REMARK 470 LYS A 49 CG CD CE NZ REMARK 470 GLU B 83 CG CD OE1 OE2 REMARK 470 LYS C 452 CG CD CE NZ REMARK 470 LYS C 553 CG CD CE NZ REMARK 470 LYS C 586 CG CD CE NZ REMARK 470 LYS D2650 CD CE NZ REMARK 470 ARG D2663 CD NE CZ NH1 NH2 REMARK 470 ASP D2665 OD1 OD2 REMARK 470 TYR D2666 CD1 CD2 CE1 CE2 CZ OH REMARK 470 GLU D2669 CD OE1 OE2 REMARK 470 GLU D2670 CD OE1 OE2 REMARK 470 LYS D2683 CG CD CE NZ 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 PRO A 28 -174.63 -63.89 REMARK 500 THR A 29 -164.26 -111.71 REMARK 500 ASP A 33 -7.93 -48.76 REMARK 500 THR A 35 -171.71 -56.25 REMARK 500 TYR A 68 143.62 -29.38 REMARK 500 PRO A 84 -34.88 -35.87 REMARK 500 TYR A 87 162.92 -49.41 REMARK 500 LYS A 101 -90.01 -136.46 REMARK 500 GLU A 122 67.87 -119.45 REMARK 500 ASN A 124 63.57 -107.83 REMARK 500 ILE A 125 -17.78 -49.80 REMARK 500 ASP A 127 79.63 178.40 REMARK 500 ASP B 30 27.84 -166.34 REMARK 500 MET B 40 23.01 -68.20 REMARK 500 GLN B 55 -5.54 -144.84 REMARK 500 MET B 59 -34.00 -39.55 REMARK 500 SER B 61 -41.91 -20.73 REMARK 500 ARG B 63 133.53 -171.33 REMARK 500 THR B 76 145.81 -178.64 REMARK 500 PRO B 77 -12.96 -46.04 REMARK 500 GLU B 83 -152.79 -73.50 REMARK 500 GLU B 85 -0.73 67.23 REMARK 500 ASP B 86 174.38 -49.61 REMARK 500 PRO C 441 174.39 -46.34 REMARK 500 SER C 442 136.08 178.79 REMARK 500 ARG C 448 32.65 -68.54 REMARK 500 LYS C 452 30.87 -91.86 REMARK 500 SER C 454 2.98 -55.66 REMARK 500 VAL C 455 -20.09 -148.58 REMARK 500 ALA C 458 44.85 -69.09 REMARK 500 GLN C 459 -47.72 -166.21 REMARK 500 ASP C 462 82.70 -68.40 REMARK 500 THR C 463 2.96 -63.74 REMARK 500 SER C 464 -81.21 -61.18 REMARK 500 SER C 478 6.59 -56.14 REMARK 500 ASP C 482 -2.93 -52.41 REMARK 500 GLU C 483 172.26 -47.27 REMARK 500 LYS C 500 -71.26 -66.23 REMARK 500 SER C 504 83.80 167.31 REMARK 500 SER C 505 -25.27 -29.95 REMARK 500 SER C 506 44.34 -72.22 REMARK 500 LEU C 513 -35.53 -39.16 REMARK 500 MET C 520 32.67 -90.33 REMARK 500 ASP C 527 -158.91 -141.67 REMARK 500 ALA C 533 -81.57 -53.56 REMARK 500 TYR C 550 4.95 -58.49 REMARK 500 LYS C 553 8.55 -58.04 REMARK 500 SER C 568 -72.75 -30.12 REMARK 500 LEU C 570 12.09 -65.44 REMARK 500 CYS C 573 46.80 -153.06 REMARK 500 PHE C 575 -72.87 -57.97 REMARK 500 PRO D2655 -35.18 -32.18 REMARK 500 THR D2656 52.22 -94.57 REMARK 500 ASP D2665 -145.49 -60.17 REMARK 500 TYR D2666 99.24 -46.22 REMARK 500 SER D2668 -124.74 -163.17 REMARK 500 GLU D2669 49.75 -171.41 REMARK 500 GLU D2670 125.83 -172.04 REMARK 500 GLU D2671 137.23 176.29 REMARK 500 ASP D2674 -31.22 -161.38 REMARK 500 GLU D2675 139.14 -32.83 REMARK 500 ASN D2685 -75.16 18.02 REMARK 500 LYS D2687 173.59 -47.89 REMARK 500 ASP D2691 108.30 -44.98 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1KPS RELATED DB: PDB REMARK 900 PUTATIVE SUBSTRATE COMPLEX BETWEEN UBC9 AND RANGAP1 REMARK 999 REMARK 999 SEQUENCE REMARK 999 COVALENT ISOPEPTIDE BOND BETWEEN RANGAP1 LYS524 AND REMARK 999 SUMO C-TERMINUS GLY97. DBREF 1Z5S A 1 158 UNP P63279 UBE2I_HUMAN 1 158 DBREF 1Z5S B 18 97 UNP P63165 SUMO1_HUMAN 18 97 DBREF 1Z5S C 418 587 UNP P46060 RGP1_HUMAN 418 587 DBREF 1Z5S D 2631 2711 UNP P49792 RBP2_HUMAN 2631 2711 SEQADV 1Z5S MET B 16 UNP P63165 CLONING ARTIFACT SEQADV 1Z5S GLY B 17 UNP P63165 CLONING ARTIFACT SEQADV 1Z5S SER C 416 UNP P46060 CLONING ARTIFACT SEQADV 1Z5S LEU C 417 UNP P46060 CLONING ARTIFACT SEQADV 1Z5S SER D 2629 UNP P49792 CLONING ARTIFACT SEQADV 1Z5S LEU D 2630 UNP P49792 CLONING ARTIFACT SEQRES 1 A 158 MET SER GLY ILE ALA LEU SER ARG LEU ALA GLN GLU ARG SEQRES 2 A 158 LYS ALA TRP ARG LYS ASP HIS PRO PHE GLY PHE VAL ALA SEQRES 3 A 158 VAL PRO THR LYS ASN PRO ASP GLY THR MET ASN LEU MET SEQRES 4 A 158 ASN TRP GLU CYS ALA ILE PRO GLY LYS LYS GLY THR PRO SEQRES 5 A 158 TRP GLU GLY GLY LEU PHE LYS LEU ARG MET LEU PHE LYS SEQRES 6 A 158 ASP ASP TYR PRO SER SER PRO PRO LYS CYS LYS PHE GLU SEQRES 7 A 158 PRO PRO LEU PHE HIS PRO ASN VAL TYR PRO SER GLY THR SEQRES 8 A 158 VAL CYS LEU SER ILE LEU GLU GLU ASP LYS ASP TRP ARG SEQRES 9 A 158 PRO ALA ILE THR ILE LYS GLN ILE LEU LEU GLY ILE GLN SEQRES 10 A 158 GLU LEU LEU ASN GLU PRO ASN ILE GLN ASP PRO ALA GLN SEQRES 11 A 158 ALA GLU ALA TYR THR ILE TYR CYS GLN ASN ARG VAL GLU SEQRES 12 A 158 TYR GLU LYS ARG VAL ARG ALA GLN ALA LYS LYS PHE ALA SEQRES 13 A 158 PRO SER SEQRES 1 B 82 MET GLY GLU GLY GLU TYR ILE LYS LEU LYS VAL ILE GLY SEQRES 2 B 82 GLN ASP SER SER GLU ILE HIS PHE LYS VAL LYS MET THR SEQRES 3 B 82 THR HIS LEU LYS LYS LEU LYS GLU SER TYR CYS GLN ARG SEQRES 4 B 82 GLN GLY VAL PRO MET ASN SER LEU ARG PHE LEU PHE GLU SEQRES 5 B 82 GLY GLN ARG ILE ALA ASP ASN HIS THR PRO LYS GLU LEU SEQRES 6 B 82 GLY MET GLU GLU GLU ASP VAL ILE GLU VAL TYR GLN GLU SEQRES 7 B 82 GLN THR GLY GLY SEQRES 1 C 172 SER LEU ASN THR GLY GLU PRO ALA PRO VAL LEU SER SER SEQRES 2 C 172 PRO PRO PRO ALA ASP VAL SER THR PHE LEU ALA PHE PRO SEQRES 3 C 172 SER PRO GLU LYS LEU LEU ARG LEU GLY PRO LYS SER SER SEQRES 4 C 172 VAL LEU ILE ALA GLN GLN THR ASP THR SER ASP PRO GLU SEQRES 5 C 172 LYS VAL VAL SER ALA PHE LEU LYS VAL SER SER VAL PHE SEQRES 6 C 172 LYS ASP GLU ALA THR VAL ARG MET ALA VAL GLN ASP ALA SEQRES 7 C 172 VAL ASP ALA LEU MET GLN LYS ALA PHE ASN SER SER SER SEQRES 8 C 172 PHE ASN SER ASN THR PHE LEU THR ARG LEU LEU VAL HIS SEQRES 9 C 172 MET GLY LEU LEU LYS SER GLU ASP LYS VAL LYS ALA ILE SEQRES 10 C 172 ALA ASN LEU TYR GLY PRO LEU MET ALA LEU ASN HIS MET SEQRES 11 C 172 VAL GLN GLN ASP TYR PHE PRO LYS ALA LEU ALA PRO LEU SEQRES 12 C 172 LEU LEU ALA PHE VAL THR LYS PRO ASN SER ALA LEU GLU SEQRES 13 C 172 SER CYS SER PHE ALA ARG HIS SER LEU LEU GLN THR LEU SEQRES 14 C 172 TYR LYS VAL SEQRES 1 D 83 SER LEU ASP VAL LEU ILE VAL TYR GLU LEU THR PRO THR SEQRES 2 D 83 ALA GLU GLN LYS ALA LEU ALA THR LYS LEU LYS LEU PRO SEQRES 3 D 83 PRO THR PHE PHE CYS TYR LYS ASN ARG PRO ASP TYR VAL SEQRES 4 D 83 SER GLU GLU GLU GLU ASP ASP GLU ASP PHE GLU THR ALA SEQRES 5 D 83 VAL LYS LYS LEU ASN GLY LYS LEU TYR LEU ASP GLY SER SEQRES 6 D 83 GLU LYS CYS ARG PRO LEU GLU GLU ASN THR ALA ASP ASN SEQRES 7 D 83 GLU LYS GLU CYS ILE FORMUL 5 HOH *28(H2 O) HELIX 18 18 ILE A 4 ASP A 19 1 16 HELIX 19 19 LEU A 94 GLU A 98 1 5 HELIX 20 20 THR A 108 GLU A 122 1 15 HELIX 21 21 GLN A 130 LYS A 154 1 25 HELIX 22 22 HIS B 43 ARG B 54 1 12 HELIX 23 23 THR B 76 GLY B 81 1 6 HELIX 24 24 ALA C 432 PHE C 440 1 9 HELIX 25 25 LEU C 446 SER C 454 1 9 HELIX 26 26 LEU C 456 THR C 461 1 6 HELIX 27 27 ASP C 465 SER C 478 1 14 HELIX 28 28 ALA C 484 PHE C 502 1 19 HELIX 29 29 ASN C 508 MET C 520 1 13 HELIX 30 30 LEU C 535 VAL C 546 1 12 HELIX 31 31 LEU C 555 LYS C 565 1 11 HELIX 32 32 SER C 568 VAL C 587 1 20 HELIX 33 33 THR D 2641 LEU D 2651 1 11 HELIX 34 34 ASP D 2676 LEU D 2684 1 9 SHEET 11 11 1 VAL A 25 LYS A 30 0 SHEET 12 12 1 MET A 36 PRO A 46 0 SHEET 13 13 1 LEU A 57 LEU A 63 0 SHEET 14 14 1 LYS A 74 PHE A 77 0 SHEET 15 15 1 ILE B 22 ILE B 27 0 SHEET 16 16 1 GLU B 33 VAL B 38 0 SHEET 17 17 1 PHE B 64 PHE B 66 0 SHEET 18 18 1 GLN B 69 ARG B 70 0 SHEET 19 19 1 VAL B 87 VAL B 90 0 SHEET 20 20 1 VAL D2632 GLU D2637 0 LINK C GLY B 97 NZ LYS C 524 1555 1555 1.33 CISPEP 1 TYR A 68 PRO A 69 0 -0.05 CISPEP 2 GLU A 78 PRO A 79 0 -0.09 CRYST1 157.123 157.123 59.613 90.00 90.00 120.00 P 32 2 1 6 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.006364 0.003675 0.000000 0.00000 SCALE2 0.000000 0.007349 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016775 0.00000 TER 3302 VAL C 587 ATOM 3303 N SER D2629 53.027 19.596 36.585 1.00140.94 N ATOM 3304 CA SER D2629 52.116 20.430 35.746 1.00141.66 C ATOM 3305 C SER D2629 52.899 21.263 34.733 1.00143.21 C ATOM 3306 O SER D2629 53.182 20.808 33.621 1.00143.40 O ATOM 3307 CB SER D2629 51.274 21.354 36.639 1.00140.69 C ATOM 3308 OG SER D2629 52.086 22.202 37.434 1.00137.83 O ATOM 3309 N LEU D2630 53.245 22.485 35.127 1.00143.79 N ATOM 3310 CA LEU D2630 53.999 23.394 34.267 1.00142.41 C ATOM 3311 C LEU D2630 55.406 23.581 34.837 1.00138.81 C ATOM 3312 O LEU D2630 55.584 24.238 35.866 1.00138.86 O ATOM 3313 CB LEU D2630 53.269 24.740 34.182 1.00144.17 C ATOM 3314 CG LEU D2630 51.818 24.661 33.684 1.00144.40 C ATOM 3315 CD1 LEU D2630 51.169 26.038 33.725 1.00143.95 C ATOM 3316 CD2 LEU D2630 51.794 24.100 32.266 1.00145.04 C ATOM 3317 N ASP D2631 56.403 22.998 34.172 1.00133.75 N ATOM 3318 CA ASP D2631 57.781 23.094 34.645 1.00127.91 C ATOM 3319 C ASP D2631 58.498 24.407 34.348 1.00123.50 C ATOM 3320 O ASP D2631 58.529 24.901 33.217 1.00122.22 O ATOM 3321 CB ASP D2631 58.622 21.917 34.125 1.00126.19 C ATOM 3322 CG ASP D2631 58.641 20.737 35.091 1.00124.03 C ATOM 3323 OD1 ASP D2631 59.057 20.922 36.255 1.00119.77 O ATOM 3324 OD2 ASP D2631 58.245 19.623 34.689 1.00125.49 O ATOM 3325 N VAL D2632 59.073 24.953 35.412 1.00117.76 N ATOM 3326 CA VAL D2632 59.822 26.193 35.390 1.00111.41 C ATOM 3327 C VAL D2632 60.814 26.014 36.524 1.00107.81 C ATOM 3328 O VAL D2632 60.441 26.072 37.696 1.00106.15 O ATOM 3329 CB VAL D2632 58.918 27.388 35.706 1.00112.06 C ATOM 3330 CG1 VAL D2632 59.736 28.658 35.764 1.00112.51 C ATOM 3331 CG2 VAL D2632 57.835 27.500 34.655 1.00115.30 C ATOM 3332 N LEU D2633 62.073 25.776 36.178 1.00104.39 N ATOM 3333 CA LEU D2633 63.096 25.563 37.190 1.00102.46 C ATOM 3334 C LEU D2633 64.149 26.668 37.203 1.00101.16 C ATOM 3335 O LEU D2633 64.687 27.040 36.156 1.00 99.30 O ATOM 3336 CB LEU D2633 63.759 24.189 36.966 1.00102.18 C ATOM 3337 CG LEU D2633 64.743 23.610 37.998 1.00102.04 C ATOM 3338 CD1 LEU D2633 64.676 22.092 37.965 1.00100.09 C ATOM 3339 CD2 LEU D2633 66.163 24.095 37.727 1.00100.48 C ATOM 3340 N ILE D2634 64.423 27.198 38.397 1.00 99.38 N ATOM 3341 CA ILE D2634 65.433 28.241 38.567 1.00 96.60 C ATOM 3342 C ILE D2634 66.777 27.555 38.359 1.00 94.81 C ATOM 3343 O ILE D2634 67.162 26.689 39.144 1.00 95.81 O ATOM 3344 CB ILE D2634 65.413 28.835 39.991 1.00 94.80 C ATOM 3345 CG1 ILE D2634 63.979 29.159 40.409 1.00 95.20 C ATOM 3346 CG2 ILE D2634 66.262 30.096 40.032 1.00 92.37 C ATOM 3347 CD1 ILE D2634 63.857 29.713 41.814 1.00 93.88 C ATOM 3348 N VAL D2635 67.492 27.936 37.308 1.00 92.00 N ATOM 3349 CA VAL D2635 68.771 27.313 37.015 1.00 90.27 C ATOM 3350 C VAL D2635 69.988 28.080 37.517 1.00 92.54 C ATOM 3351 O VAL D2635 71.018 27.479 37.813 1.00 94.74 O ATOM 3352 CB VAL D2635 68.917 27.084 35.513 1.00 87.22 C ATOM 3353 CG1 VAL D2635 70.206 26.349 35.218 1.00 87.62 C ATOM 3354 CG2 VAL D2635 67.735 26.294 35.012 1.00 86.94 C ATOM 3355 N TYR D2636 69.874 29.400 37.621 1.00 92.71 N ATOM 3356 CA TYR D2636 70.993 30.211 38.090 1.00 91.74 C ATOM 3357 C TYR D2636 70.561 31.500 38.773 1.00 91.44 C ATOM 3358 O TYR D2636 69.591 32.134 38.362 1.00 94.91 O ATOM 3359 CB TYR D2636 71.907 30.557 36.917 1.00 93.05 C ATOM 3360 CG TYR D2636 72.930 31.628 37.229 1.00 97.23 C ATOM 3361 CD1 TYR D2636 73.965 31.392 38.137 1.00 98.69 C ATOM 3362 CD2 TYR D2636 72.859 32.883 36.622 1.00 97.91 C ATOM 3363 CE1 TYR D2636 74.904 32.384 38.432 1.00 98.92 C ATOM 3364 CE2 TYR D2636 73.790 33.880 36.909 1.00 97.98 C ATOM 3365 CZ TYR D2636 74.808 33.624 37.813 1.00 99.03 C ATOM 3366 OH TYR D2636 75.720 34.612 38.105 1.00100.19 O ATOM 3367 N GLU D2637 71.282 31.882 39.821 1.00 87.90 N ATOM 3368 CA GLU D2637 70.991 33.121 40.534 1.00 86.42 C ATOM 3369 C GLU D2637 72.305 33.794 40.930 1.00 84.85 C ATOM 3370 O GLU D2637 73.125 33.212 41.640 1.00 85.08 O ATOM 3371 CB GLU D2637 70.129 32.856 41.776 1.00 87.16 C ATOM 3372 CG GLU D2637 70.736 31.896 42.789 1.00 91.72 C ATOM 3373 CD GLU D2637 70.161 32.068 44.191 1.00 92.71 C ATOM 3374 OE1 GLU D2637 68.924 32.215 44.322 1.00 93.69 O ATOM 3375 OE2 GLU D2637 70.950 32.043 45.164 1.00 90.44 O ATOM 3376 N LEU D2638 72.503 35.021 40.458 1.00 82.36 N ATOM 3377 CA LEU D2638 73.719 35.778 40.744 1.00 78.42 C ATOM 3378 C LEU D2638 73.976 35.892 42.246 1.00 76.33 C ATOM 3379 O LEU D2638 73.157 36.426 42.989 1.00 74.22 O ATOM 3380 CB LEU D2638 73.609 37.178 40.128 1.00 76.30 C ATOM 3381 CG LEU D2638 74.894 37.968 39.856 1.00 73.34 C ATOM 3382 CD1 LEU D2638 74.531 39.358 39.346 1.00 71.68 C ATOM 3383 CD2 LEU D2638 75.726 38.067 41.120 1.00 73.99 C ATOM 3384 N THR D2639 75.124 35.393 42.684 1.00 75.83 N ATOM 3385 CA THR D2639 75.487 35.446 44.094 1.00 79.30 C ATOM 3386 C THR D2639 76.791 36.209 44.298 1.00 79.11 C ATOM 3387 O THR D2639 77.694 36.145 43.467 1.00 79.86 O ATOM 3388 CB THR D2639 75.657 34.028 44.682 1.00 81.61 C ATOM 3389 OG1 THR D2639 74.401 33.338 44.635 1.00 84.13 O ATOM 3390 CG2 THR D2639 76.147 34.099 46.131 1.00 79.64 C ATOM 3391 N PRO D2640 76.898 36.946 45.412 1.00 78.30 N ATOM 3392 CA PRO D2640 78.102 37.720 45.715 1.00 77.86 C ATOM 3393 C PRO D2640 79.052 37.016 46.690 1.00 78.72 C ATOM 3394 O PRO D2640 78.778 35.920 47.177 1.00 79.95 O ATOM 3395 CB PRO D2640 77.528 38.988 46.311 1.00 77.18 C ATOM 3396 CG PRO D2640 76.427 38.437 47.158 1.00 76.74 C ATOM 3397 CD PRO D2640 75.770 37.403 46.246 1.00 77.92 C ATOM 3398 N THR D2641 80.170 37.682 46.962 1.00 78.10 N ATOM 3399 CA THR D2641 81.203 37.209 47.876 1.00 74.79 C ATOM 3400 C THR D2641 80.655 37.219 49.275 1.00 72.19 C ATOM 3401 O THR D2641 79.681 37.903 49.553 1.00 72.20 O ATOM 3402 CB THR D2641 82.410 38.163 47.862 1.00 77.54 C ATOM 3403 OG1 THR D2641 83.121 38.005 46.630 1.00 85.04 O ATOM 3404 CG2 THR D2641 83.334 37.916 49.049 1.00 73.90 C ATOM 3405 N ALA D2642 81.289 36.471 50.163 1.00 74.93 N ATOM 3406 CA ALA D2642 80.862 36.452 51.552 1.00 78.87 C ATOM 3407 C ALA D2642 80.996 37.873 52.103 1.00 79.82 C ATOM 3408 O ALA D2642 80.084 38.388 52.753 1.00 76.63 O ATOM 3409 CB ALA D2642 81.730 35.489 52.360 1.00 79.59 C ATOM 3410 N GLU D2643 82.132 38.506 51.824 1.00 83.51 N ATOM 3411 CA GLU D2643 82.380 39.862 52.294 1.00 87.57 C ATOM 3412 C GLU D2643 81.464 40.897 51.618 1.00 88.00 C ATOM 3413 O GLU D2643 81.069 41.883 52.246 1.00 88.67 O ATOM 3414 CB GLU D2643 83.851 40.233 52.077 1.00 91.99 C ATOM 3415 CG GLU D2643 84.233 41.602 52.651 1.00 98.80 C ATOM 3416 CD GLU D2643 85.728 41.904 52.571 1.00102.01 C ATOM 3417 OE1 GLU D2643 86.304 41.795 51.465 1.00104.77 O ATOM 3418 OE2 GLU D2643 86.325 42.263 53.612 1.00100.80 O ATOM 3419 N GLN D2644 81.124 40.671 50.347 1.00 85.10 N ATOM 3420 CA GLN D2644 80.248 41.593 49.615 1.00 81.31 C ATOM 3421 C GLN D2644 78.842 41.629 50.213 1.00 78.64 C ATOM 3422 O GLN D2644 78.352 42.683 50.625 1.00 77.29 O ATOM 3423 CB GLN D2644 80.153 41.183 48.147 1.00 82.31 C ATOM 3424 CG GLN D2644 81.479 41.187 47.422 1.00 86.95 C ATOM 3425 CD GLN D2644 81.346 40.835 45.949 1.00 90.19 C ATOM 3426 OE1 GLN D2644 80.861 39.759 45.588 1.00 88.99 O ATOM 3427 NE2 GLN D2644 81.786 41.744 45.088 1.00 94.16 N ATOM 3428 N LYS D2645 78.195 40.466 50.244 1.00 75.52 N ATOM 3429 CA LYS D2645 76.854 40.336 50.795 1.00 71.77 C ATOM 3430 C LYS D2645 76.823 40.898 52.207 1.00 71.17 C ATOM 3431 O LYS D2645 75.892 41.601 52.583 1.00 72.08 O ATOM 3432 CB LYS D2645 76.446 38.865 50.814 1.00 70.45 C ATOM 3433 CG LYS D2645 75.127 38.565 51.514 1.00 72.06 C ATOM 3434 CD LYS D2645 74.812 37.063 51.460 1.00 73.17 C ATOM 3435 CE LYS D2645 73.519 36.718 52.191 1.00 74.56 C ATOM 3436 NZ LYS D2645 73.225 35.258 52.161 1.00 71.93 N ATOM 3437 N ALA D2646 77.854 40.588 52.984 1.00 70.43 N ATOM 3438 CA ALA D2646 77.946 41.064 54.359 1.00 69.87 C ATOM 3439 C ALA D2646 78.064 42.589 54.441 1.00 67.31 C ATOM 3440 O ALA D2646 77.593 43.202 55.402 1.00 69.36 O ATOM 3441 CB ALA D2646 79.131 40.402 55.057 1.00 71.62 C ATOM 3442 N LEU D2647 78.703 43.199 53.449 1.00 61.29 N ATOM 3443 CA LEU D2647 78.839 44.652 53.437 1.00 59.81 C ATOM 3444 C LEU D2647 77.464 45.258 53.205 1.00 59.55 C ATOM 3445 O LEU D2647 77.008 46.117 53.966 1.00 56.83 O ATOM 3446 CB LEU D2647 79.771 45.098 52.310 1.00 60.00 C ATOM 3447 CG LEU D2647 79.716 46.585 51.921 1.00 54.22 C ATOM 3448 CD1 LEU D2647 80.171 47.457 53.081 1.00 46.34 C ATOM 3449 CD2 LEU D2647 80.594 46.814 50.706 1.00 51.17 C ATOM 3450 N ALA D2648 76.824 44.797 52.132 1.00 58.69 N ATOM 3451 CA ALA D2648 75.493 45.248 51.744 1.00 60.98 C ATOM 3452 C ALA D2648 74.498 45.048 52.887 1.00 62.47 C ATOM 3453 O ALA D2648 73.578 45.847 53.087 1.00 60.09 O ATOM 3454 CB ALA D2648 75.037 44.479 50.514 1.00 60.70 C ATOM 3455 N THR D2649 74.686 43.960 53.623 1.00 64.66 N ATOM 3456 CA THR D2649 73.838 43.637 54.758 1.00 65.82 C ATOM 3457 C THR D2649 73.978 44.731 55.811 1.00 67.77 C ATOM 3458 O THR D2649 73.029 45.044 56.532 1.00 69.51 O ATOM 3459 CB THR D2649 74.256 42.307 55.381 1.00 66.85 C ATOM 3460 OG1 THR D2649 74.048 41.252 54.434 1.00 69.30 O ATOM 3461 CG2 THR D2649 73.454 42.040 56.643 1.00 69.28 C ATOM 3462 N LYS D2650 75.173 45.303 55.901 1.00 68.03 N ATOM 3463 CA LYS D2650 75.436 46.363 56.859 1.00 65.06 C ATOM 3464 C LYS D2650 74.788 47.649 56.360 1.00 65.35 C ATOM 3465 O LYS D2650 74.259 48.439 57.145 1.00 64.78 O ATOM 3466 CB LYS D2650 76.944 46.562 57.016 1.00 61.22 C ATOM 3467 CG LYS D2650 77.319 47.600 58.061 1.00 60.04 C ATOM 3468 N LEU D2651 74.810 47.835 55.044 1.00 64.72 N ATOM 3469 CA LEU D2651 74.251 49.029 54.421 1.00 63.51 C ATOM 3470 C LEU D2651 72.795 48.923 53.988 1.00 61.56 C ATOM 3471 O LEU D2651 72.269 49.820 53.328 1.00 60.77 O ATOM 3472 CB LEU D2651 75.109 49.417 53.222 1.00 62.94 C ATOM 3473 CG LEU D2651 76.594 49.509 53.557 1.00 60.32 C ATOM 3474 CD1 LEU D2651 77.311 50.140 52.385 1.00 62.38 C ATOM 3475 CD2 LEU D2651 76.805 50.338 54.819 1.00 56.70 C ATOM 3476 N LYS D2652 72.149 47.825 54.356 1.00 59.31 N ATOM 3477 CA LYS D2652 70.747 47.619 54.024 1.00 57.12 C ATOM 3478 C LYS D2652 70.510 47.723 52.527 1.00 56.89 C ATOM 3479 O LYS D2652 69.444 48.162 52.096 1.00 58.37 O ATOM 3480 CB LYS D2652 69.890 48.662 54.744 1.00 55.63 C ATOM 3481 CG LYS D2652 70.530 49.201 56.003 1.00 54.82 C ATOM 3482 CD LYS D2652 70.663 48.138 57.065 1.00 58.17 C ATOM 3483 CE LYS D2652 69.346 47.953 57.781 1.00 63.23 C ATOM 3484 NZ LYS D2652 68.917 49.244 58.403 1.00 68.37 N ATOM 3485 N LEU D2653 71.506 47.326 51.741 1.00 56.44 N ATOM 3486 CA LEU D2653 71.414 47.362 50.279 1.00 55.99 C ATOM 3487 C LEU D2653 71.102 45.973 49.733 1.00 56.98 C ATOM 3488 O LEU D2653 71.299 44.966 50.416 1.00 56.41 O ATOM 3489 CB LEU D2653 72.739 47.831 49.680 1.00 55.63 C ATOM 3490 CG LEU D2653 73.215 49.246 49.986 1.00 56.26 C ATOM 3491 CD1 LEU D2653 74.707 49.374 49.704 1.00 54.16 C ATOM 3492 CD2 LEU D2653 72.418 50.214 49.141 1.00 58.73 C ATOM 3493 N PRO D2654 70.615 45.898 48.485 1.00 58.72 N ATOM 3494 CA PRO D2654 70.291 44.601 47.878 1.00 62.70 C ATOM 3495 C PRO D2654 71.552 43.743 47.732 1.00 66.46 C ATOM 3496 O PRO D2654 72.498 44.132 47.052 1.00 69.57 O ATOM 3497 CB PRO D2654 69.689 44.993 46.533 1.00 61.45 C ATOM 3498 CG PRO D2654 70.414 46.255 46.203 1.00 60.57 C ATOM 3499 CD PRO D2654 70.416 46.994 47.524 1.00 57.68 C ATOM 3500 N PRO D2655 71.577 42.563 48.374 1.00 67.71 N ATOM 3501 CA PRO D2655 72.703 41.628 48.347 1.00 68.73 C ATOM 3502 C PRO D2655 73.531 41.585 47.069 1.00 70.55 C ATOM 3503 O PRO D2655 74.742 41.395 47.115 1.00 71.00 O ATOM 3504 CB PRO D2655 72.034 40.308 48.669 1.00 67.99 C ATOM 3505 CG PRO D2655 71.077 40.730 49.732 1.00 66.95 C ATOM 3506 CD PRO D2655 70.455 41.980 49.128 1.00 68.01 C ATOM 3507 N THR D2656 72.888 41.761 45.926 1.00 73.06 N ATOM 3508 CA THR D2656 73.613 41.748 44.665 1.00 76.90 C ATOM 3509 C THR D2656 73.972 43.173 44.272 1.00 77.24 C ATOM 3510 O THR D2656 73.688 43.585 43.151 1.00 80.65 O ATOM 3511 CB THR D2656 72.748 41.161 43.545 1.00 81.61 C ATOM 3512 OG1 THR D2656 71.505 41.875 43.480 1.00 82.91 O ATOM 3513 CG2 THR D2656 72.469 39.692 43.800 1.00 87.92 C ATOM 3514 N PHE D2657 74.600 43.928 45.167 1.00 74.73 N ATOM 3515 CA PHE D2657 74.915 45.317 44.838 1.00 73.93 C ATOM 3516 C PHE D2657 76.310 45.552 44.262 1.00 76.82 C ATOM 3517 O PHE D2657 76.457 46.121 43.173 1.00 74.06 O ATOM 3518 CB PHE D2657 74.690 46.213 46.068 1.00 66.80 C ATOM 3519 CG PHE D2657 74.639 47.685 45.747 1.00 60.23 C ATOM 3520 CD1 PHE D2657 73.833 48.158 44.720 1.00 56.55 C ATOM 3521 CD2 PHE D2657 75.395 48.597 46.469 1.00 55.94 C ATOM 3522 CE1 PHE D2657 73.788 49.513 44.416 1.00 52.81 C ATOM 3523 CE2 PHE D2657 75.350 49.954 46.166 1.00 52.43 C ATOM 3524 CZ PHE D2657 74.546 50.409 45.138 1.00 48.91 C ATOM 3525 N PHE D2658 77.333 45.111 44.985 1.00 79.36 N ATOM 3526 CA PHE D2658 78.702 45.299 44.533 1.00 80.39 C ATOM 3527 C PHE D2658 79.107 44.272 43.489 1.00 82.82 C ATOM 3528 O PHE D2658 80.290 43.983 43.311 1.00 81.59 O ATOM 3529 CB PHE D2658 79.645 45.242 45.724 1.00 78.78 C ATOM 3530 CG PHE D2658 79.169 46.040 46.889 1.00 78.54 C ATOM 3531 CD1 PHE D2658 78.454 45.435 47.912 1.00 80.31 C ATOM 3532 CD2 PHE D2658 79.390 47.407 46.943 1.00 78.70 C ATOM 3533 CE1 PHE D2658 77.967 46.183 48.974 1.00 82.42 C ATOM 3534 CE2 PHE D2658 78.907 48.164 47.999 1.00 80.52 C ATOM 3535 CZ PHE D2658 78.193 47.553 49.016 1.00 82.26 C ATOM 3536 N CYS D2659 78.116 43.725 42.797 1.00 86.92 N ATOM 3537 CA CYS D2659 78.372 42.745 41.757 1.00 91.80 C ATOM 3538 C CYS D2659 78.785 43.508 40.510 1.00 95.04 C ATOM 3539 O CYS D2659 79.352 42.938 39.578 1.00 95.41 O ATOM 3540 CB CYS D2659 77.112 41.925 41.482 1.00 94.65 C ATOM 3541 SG CYS D2659 76.489 41.039 42.933 1.00103.42 S ATOM 3542 N TYR D2660 78.496 44.808 40.506 1.00 97.96 N ATOM 3543 CA TYR D2660 78.843 45.677 39.388 1.00 99.45 C ATOM 3544 C TYR D2660 80.359 45.630 39.198 1.00105.36 C ATOM 3545 O TYR D2660 80.853 45.631 38.066 1.00106.33 O ATOM 3546 CB TYR D2660 78.398 47.115 39.678 1.00 92.67 C ATOM 3547 CG TYR D2660 79.257 47.834 40.702 1.00 88.84 C ATOM 3548 CD1 TYR D2660 80.454 48.447 40.334 1.00 84.88 C ATOM 3549 CD2 TYR D2660 78.889 47.871 42.048 1.00 89.48 C ATOM 3550 CE1 TYR D2660 81.265 49.075 41.275 1.00 83.08 C ATOM 3551 CE2 TYR D2660 79.698 48.500 43.002 1.00 86.95 C ATOM 3552 CZ TYR D2660 80.884 49.096 42.606 1.00 84.80 C ATOM 3553 OH TYR D2660 81.696 49.698 43.541 1.00 83.35 O ATOM 3554 N LYS D2661 81.081 45.584 40.320 1.00110.66 N ATOM 3555 CA LYS D2661 82.544 45.537 40.330 1.00114.67 C ATOM 3556 C LYS D2661 83.039 44.096 40.401 1.00118.71 C ATOM 3557 O LYS D2661 84.240 43.838 40.326 1.00121.56 O ATOM 3558 CB LYS D2661 83.105 46.328 41.522 1.00112.65 C ATOM 3559 CG LYS D2661 82.753 45.756 42.897 1.00110.95 C ATOM 3560 CD LYS D2661 83.414 46.554 44.032 1.00109.08 C ATOM 3561 CE LYS D2661 83.115 45.947 45.405 1.00106.34 C ATOM 3562 NZ LYS D2661 83.850 46.613 46.520 1.00101.43 N ATOM 3563 N ASN D2662 82.108 43.161 40.550 1.00121.06 N ATOM 3564 CA ASN D2662 82.448 41.747 40.615 1.00123.82 C ATOM 3565 C ASN D2662 82.584 41.235 39.178 1.00126.16 C ATOM 3566 O ASN D2662 83.114 40.153 38.935 1.00124.81 O ATOM 3567 CB ASN D2662 81.340 40.984 41.350 1.00123.87 C ATOM 3568 CG ASN D2662 81.831 39.688 41.971 1.00122.94 C ATOM 3569 OD1 ASN D2662 82.685 39.695 42.858 1.00120.69 O ATOM 3570 ND2 ASN D2662 81.286 38.567 41.510 1.00123.61 N ATOM 3571 N ARG D2663 82.102 42.038 38.230 1.00130.74 N ATOM 3572 CA ARG D2663 82.147 41.706 36.805 1.00134.00 C ATOM 3573 C ARG D2663 83.584 41.614 36.279 1.00136.26 C ATOM 3574 O ARG D2663 84.532 42.014 36.962 1.00136.05 O ATOM 3575 CB ARG D2663 81.372 42.758 35.996 1.00132.67 C ATOM 3576 CG ARG D2663 79.894 42.845 36.331 1.00130.83 C ATOM 3577 N PRO D2664 83.760 41.080 35.055 1.00137.51 N ATOM 3578 CA PRO D2664 85.085 40.938 34.444 1.00137.40 C ATOM 3579 C PRO D2664 85.669 42.224 33.843 1.00137.84 C ATOM 3580 O PRO D2664 86.847 42.515 34.038 1.00138.00 O ATOM 3581 CB PRO D2664 84.857 39.859 33.388 1.00135.85 C ATOM 3582 CG PRO D2664 83.471 40.151 32.933 1.00136.01 C ATOM 3583 CD PRO D2664 82.740 40.388 34.241 1.00136.95 C ATOM 3584 N ASP D2665 84.849 42.989 33.126 1.00138.21 N ATOM 3585 CA ASP D2665 85.305 44.225 32.487 1.00137.89 C ATOM 3586 C ASP D2665 85.852 45.284 33.449 1.00139.25 C ATOM 3587 O ASP D2665 86.474 44.960 34.463 1.00140.01 O ATOM 3588 CB ASP D2665 84.180 44.834 31.637 1.00136.53 C ATOM 3589 CG ASP D2665 82.973 45.234 32.461 1.00135.73 C ATOM 3590 N TYR D2666 85.613 46.550 33.116 1.00140.29 N ATOM 3591 CA TYR D2666 86.087 47.691 33.903 1.00141.22 C ATOM 3592 C TYR D2666 85.891 47.641 35.425 1.00140.77 C ATOM 3593 O TYR D2666 84.808 47.942 35.936 1.00140.83 O ATOM 3594 CB TYR D2666 85.467 48.988 33.358 1.00141.57 C ATOM 3595 CG TYR D2666 83.954 48.996 33.335 1.00140.56 C ATOM 3596 N VAL D2667 86.953 47.275 36.141 1.00138.78 N ATOM 3597 CA VAL D2667 86.927 47.211 37.600 1.00136.80 C ATOM 3598 C VAL D2667 88.342 47.161 38.164 1.00136.31 C ATOM 3599 O VAL D2667 89.243 46.588 37.554 1.00134.02 O ATOM 3600 CB VAL D2667 86.151 45.981 38.116 1.00134.87 C ATOM 3601 CG1 VAL D2667 86.832 44.701 37.660 1.00133.20 C ATOM 3602 CG2 VAL D2667 86.055 46.033 39.635 1.00131.26 C ATOM 3603 N SER D2668 88.528 47.770 39.332 1.00137.22 N ATOM 3604 CA SER D2668 89.829 47.805 39.994 1.00138.34 C ATOM 3605 C SER D2668 89.664 48.187 41.463 1.00140.25 C ATOM 3606 O SER D2668 88.919 47.541 42.198 1.00141.70 O ATOM 3607 CB SER D2668 90.746 48.812 39.297 1.00137.09 C ATOM 3608 OG SER D2668 90.201 50.119 39.351 1.00135.94 O ATOM 3609 N GLU D2669 90.364 49.235 41.889 1.00141.39 N ATOM 3610 CA GLU D2669 90.284 49.706 43.267 1.00143.09 C ATOM 3611 C GLU D2669 91.013 51.038 43.444 1.00145.03 C ATOM 3612 O GLU D2669 91.826 51.200 44.357 1.00145.31 O ATOM 3613 CB GLU D2669 90.859 48.653 44.227 1.00142.09 C ATOM 3614 CG GLU D2669 92.288 48.233 43.927 1.00141.30 C ATOM 3615 N GLU D2670 90.711 51.992 42.565 1.00147.07 N ATOM 3616 CA GLU D2670 91.335 53.312 42.613 1.00149.28 C ATOM 3617 C GLU D2670 90.703 54.311 41.633 1.00150.11 C ATOM 3618 O GLU D2670 90.606 54.041 40.435 1.00151.35 O ATOM 3619 CB GLU D2670 92.840 53.187 42.333 1.00149.28 C ATOM 3620 CG GLU D2670 93.185 52.475 41.031 1.00148.28 C ATOM 3621 N GLU D2671 90.277 55.462 42.160 1.00149.53 N ATOM 3622 CA GLU D2671 89.657 56.537 41.375 1.00148.23 C ATOM 3623 C GLU D2671 89.194 57.688 42.274 1.00147.84 C ATOM 3624 O GLU D2671 88.621 57.449 43.339 1.00148.56 O ATOM 3625 CB GLU D2671 88.454 56.011 40.582 1.00146.56 C ATOM 3626 CG GLU D2671 88.772 55.638 39.148 1.00145.18 C ATOM 3627 CD GLU D2671 89.539 56.731 38.433 1.00144.53 C ATOM 3628 OE1 GLU D2671 89.037 57.871 38.374 1.00144.10 O ATOM 3629 OE2 GLU D2671 90.647 56.452 37.933 1.00144.82 O ATOM 3630 N GLU D2672 89.436 58.928 41.848 1.00145.32 N ATOM 3631 CA GLU D2672 89.020 60.088 42.638 1.00142.32 C ATOM 3632 C GLU D2672 87.844 60.847 42.029 1.00140.64 C ATOM 3633 O GLU D2672 87.939 61.399 40.931 1.00139.72 O ATOM 3634 CB GLU D2672 90.187 61.053 42.855 1.00141.71 C ATOM 3635 CG GLU D2672 89.808 62.228 43.745 1.00142.10 C ATOM 3636 CD GLU D2672 91.004 63.023 44.220 1.00143.25 C ATOM 3637 OE1 GLU D2672 91.728 63.582 43.369 1.00144.25 O ATOM 3638 OE2 GLU D2672 91.216 63.087 45.449 1.00143.76 O ATOM 3639 N ASP D2673 86.742 60.875 42.775 1.00138.82 N ATOM 3640 CA ASP D2673 85.497 61.530 42.375 1.00135.05 C ATOM 3641 C ASP D2673 85.544 63.036 42.586 1.00133.22 C ATOM 3642 O ASP D2673 85.892 63.504 43.669 1.00131.86 O ATOM 3643 CB ASP D2673 84.338 60.946 43.191 1.00133.17 C ATOM 3644 CG ASP D2673 82.990 61.513 42.795 1.00131.52 C ATOM 3645 OD1 ASP D2673 82.836 62.751 42.766 1.00131.26 O ATOM 3646 OD2 ASP D2673 82.073 60.716 42.522 1.00131.34 O ATOM 3647 N ASP D2674 85.185 63.794 41.553 1.00131.96 N ATOM 3648 CA ASP D2674 85.174 65.244 41.678 1.00131.37 C ATOM 3649 C ASP D2674 84.354 65.994 40.638 1.00130.31 C ATOM 3650 O ASP D2674 83.818 67.061 40.938 1.00130.80 O ATOM 3651 CB ASP D2674 86.594 65.796 41.681 1.00132.58 C ATOM 3652 CG ASP D2674 86.617 67.301 41.814 1.00134.41 C ATOM 3653 OD1 ASP D2674 85.859 67.832 42.658 1.00132.32 O ATOM 3654 OD2 ASP D2674 87.391 67.948 41.080 1.00136.91 O ATOM 3655 N GLU D2675 84.262 65.449 39.426 1.00127.76 N ATOM 3656 CA GLU D2675 83.490 66.075 38.346 1.00125.35 C ATOM 3657 C GLU D2675 82.264 66.824 38.876 1.00124.38 C ATOM 3658 O GLU D2675 81.581 66.351 39.783 1.00124.55 O ATOM 3659 CB GLU D2675 83.031 65.010 37.344 1.00124.48 C ATOM 3660 CG GLU D2675 82.515 63.730 38.001 1.00125.39 C ATOM 3661 CD GLU D2675 81.679 62.872 37.066 1.00124.97 C ATOM 3662 OE1 GLU D2675 81.931 62.907 35.842 1.00124.19 O ATOM 3663 OE2 GLU D2675 80.778 62.154 37.557 1.00123.11 O ATOM 3664 N ASP D2676 81.992 67.998 38.314 1.00122.79 N ATOM 3665 CA ASP D2676 80.842 68.798 38.735 1.00120.45 C ATOM 3666 C ASP D2676 79.590 68.377 37.983 1.00115.69 C ATOM 3667 O ASP D2676 79.640 68.121 36.780 1.00115.72 O ATOM 3668 CB ASP D2676 81.099 70.287 38.486 1.00125.43 C ATOM 3669 CG ASP D2676 82.036 70.901 39.510 1.00129.83 C ATOM 3670 OD1 ASP D2676 81.688 70.909 40.710 1.00130.28 O ATOM 3671 OD2 ASP D2676 83.120 71.380 39.113 1.00133.56 O ATOM 3672 N PHE D2677 78.468 68.308 38.691 1.00109.34 N ATOM 3673 CA PHE D2677 77.213 67.916 38.066 1.00104.37 C ATOM 3674 C PHE D2677 77.118 68.500 36.656 1.00102.99 C ATOM 3675 O PHE D2677 77.141 67.764 35.669 1.00100.13 O ATOM 3676 CB PHE D2677 76.021 68.387 38.916 1.00 99.51 C ATOM 3677 CG PHE D2677 74.710 68.399 38.170 1.00 93.08 C ATOM 3678 CD1 PHE D2677 74.152 67.221 37.695 1.00 90.26 C ATOM 3679 CD2 PHE D2677 74.064 69.596 37.895 1.00 88.71 C ATOM 3680 CE1 PHE D2677 72.975 67.239 36.955 1.00 86.53 C ATOM 3681 CE2 PHE D2677 72.895 69.618 37.160 1.00 85.06 C ATOM 3682 CZ PHE D2677 72.348 68.440 36.687 1.00 84.91 C ATOM 3683 N GLU D2678 77.038 69.825 36.577 1.00103.96 N ATOM 3684 CA GLU D2678 76.923 70.534 35.309 1.00104.41 C ATOM 3685 C GLU D2678 77.856 69.989 34.242 1.00102.01 C ATOM 3686 O GLU D2678 77.463 69.793 33.090 1.00101.10 O ATOM 3687 CB GLU D2678 77.199 72.025 35.514 1.00108.95 C ATOM 3688 CG GLU D2678 77.110 72.834 34.232 1.00115.94 C ATOM 3689 CD GLU D2678 75.860 72.509 33.429 1.00119.78 C ATOM 3690 OE1 GLU D2678 74.740 72.745 33.941 1.00120.27 O ATOM 3691 OE2 GLU D2678 76.002 72.013 32.289 1.00122.31 O ATOM 3692 N THR D2679 79.102 69.760 34.629 1.00100.09 N ATOM 3693 CA THR D2679 80.092 69.225 33.707 1.00 98.36 C ATOM 3694 C THR D2679 79.523 67.945 33.091 1.00 95.70 C ATOM 3695 O THR D2679 79.314 67.857 31.876 1.00 90.89 O ATOM 3696 CB THR D2679 81.407 68.895 34.457 1.00 98.93 C ATOM 3697 OG1 THR D2679 81.894 70.074 35.115 1.00 98.91 O ATOM 3698 CG2 THR D2679 82.461 68.380 33.495 1.00 97.75 C ATOM 3699 N ALA D2680 79.257 66.975 33.966 1.00 94.08 N ATOM 3700 CA ALA D2680 78.724 65.665 33.607 1.00 89.32 C ATOM 3701 C ALA D2680 77.544 65.710 32.642 1.00 86.85 C ATOM 3702 O ALA D2680 77.502 64.954 31.672 1.00 85.18 O ATOM 3703 CB ALA D2680 78.329 64.920 34.871 1.00 86.21 C ATOM 3704 N VAL D2681 76.586 66.589 32.920 1.00 86.63 N ATOM 3705 CA VAL D2681 75.405 66.729 32.073 1.00 86.89 C ATOM 3706 C VAL D2681 75.857 67.007 30.649 1.00 89.65 C ATOM 3707 O VAL D2681 75.268 66.511 29.686 1.00 86.89 O ATOM 3708 CB VAL D2681 74.516 67.910 32.520 1.00 85.25 C ATOM 3709 CG1 VAL D2681 73.189 67.853 31.794 1.00 84.38 C ATOM 3710 CG2 VAL D2681 74.310 67.883 34.019 1.00 85.19 C ATOM 3711 N LYS D2682 76.912 67.811 30.533 1.00 93.54 N ATOM 3712 CA LYS D2682 77.461 68.180 29.238 1.00 93.82 C ATOM 3713 C LYS D2682 78.322 67.060 28.670 1.00 90.91 C ATOM 3714 O LYS D2682 78.297 66.809 27.470 1.00 89.62 O ATOM 3715 CB LYS D2682 78.286 69.462 29.354 1.00 95.89 C ATOM 3716 CG LYS D2682 78.808 69.971 28.018 1.00 99.62 C ATOM 3717 CD LYS D2682 79.674 71.205 28.199 1.00102.97 C ATOM 3718 CE LYS D2682 80.287 71.653 26.883 1.00104.31 C ATOM 3719 NZ LYS D2682 81.122 72.876 27.060 1.00105.76 N ATOM 3720 N LYS D2683 79.087 66.393 29.529 1.00 89.35 N ATOM 3721 CA LYS D2683 79.931 65.291 29.078 1.00 90.36 C ATOM 3722 C LYS D2683 79.025 64.319 28.334 1.00 93.16 C ATOM 3723 O LYS D2683 79.442 63.614 27.413 1.00 91.78 O ATOM 3724 CB LYS D2683 80.580 64.593 30.277 1.00 87.54 C ATOM 3725 N LEU D2684 77.767 64.306 28.751 1.00 98.90 N ATOM 3726 CA LEU D2684 76.745 63.454 28.163 1.00104.21 C ATOM 3727 C LEU D2684 76.373 63.991 26.779 1.00106.42 C ATOM 3728 O LEU D2684 75.891 63.249 25.921 1.00105.48 O ATOM 3729 CB LEU D2684 75.520 63.442 29.087 1.00104.18 C ATOM 3730 CG LEU D2684 74.214 62.771 28.666 1.00101.82 C ATOM 3731 CD1 LEU D2684 74.450 61.311 28.288 1.00102.33 C ATOM 3732 CD2 LEU D2684 73.228 62.890 29.819 1.00 98.53 C ATOM 3733 N ASN D2685 76.625 65.283 26.585 1.00109.54 N ATOM 3734 CA ASN D2685 76.350 66.004 25.341 1.00112.98 C ATOM 3735 C ASN D2685 75.370 65.350 24.371 1.00113.04 C ATOM 3736 O ASN D2685 74.226 65.795 24.251 1.00111.87 O ATOM 3737 CB ASN D2685 77.666 66.330 24.616 1.00115.81 C ATOM 3738 CG ASN D2685 78.565 65.116 24.434 1.00118.71 C ATOM 3739 OD1 ASN D2685 79.696 65.245 23.966 1.00120.63 O ATOM 3740 ND2 ASN D2685 78.070 63.940 24.797 1.00119.25 N ATOM 3741 N GLY D2686 75.822 64.312 23.671 1.00113.09 N ATOM 3742 CA GLY D2686 74.960 63.624 22.725 1.00113.04 C ATOM 3743 C GLY D2686 73.613 63.287 23.336 1.00113.02 C ATOM 3744 O GLY D2686 73.393 63.507 24.527 1.00112.96 O ATOM 3745 N LYS D2687 72.707 62.748 22.526 1.00112.45 N ATOM 3746 CA LYS D2687 71.380 62.392 23.014 1.00111.96 C ATOM 3747 C LYS D2687 71.423 61.601 24.321 1.00109.37 C ATOM 3748 O LYS D2687 72.494 61.215 24.799 1.00108.47 O ATOM 3749 CB LYS D2687 70.604 61.616 21.942 1.00114.44 C ATOM 3750 CG LYS D2687 70.204 62.470 20.738 1.00115.45 C ATOM 3751 CD LYS D2687 69.108 61.804 19.919 1.00115.75 C ATOM 3752 CE LYS D2687 68.567 62.739 18.846 1.00115.13 C ATOM 3753 NZ LYS D2687 67.374 62.158 18.162 1.00114.91 N ATOM 3754 N LEU D2688 70.248 61.359 24.890 1.00105.74 N ATOM 3755 CA LEU D2688 70.138 60.656 26.161 1.00103.61 C ATOM 3756 C LEU D2688 69.717 59.204 26.003 1.00101.52 C ATOM 3757 O LEU D2688 69.721 58.442 26.970 1.00 98.19 O ATOM 3758 CB LEU D2688 69.122 61.382 27.037 1.00106.07 C ATOM 3759 CG LEU D2688 69.094 62.902 26.850 1.00107.25 C ATOM 3760 CD1 LEU D2688 67.858 63.490 27.508 1.00108.44 C ATOM 3761 CD2 LEU D2688 70.357 63.508 27.430 1.00109.10 C ATOM 3762 N TYR D2689 69.356 58.827 24.781 1.00102.09 N ATOM 3763 CA TYR D2689 68.907 57.468 24.508 1.00105.35 C ATOM 3764 C TYR D2689 69.902 56.729 23.622 1.00106.11 C ATOM 3765 O TYR D2689 70.044 57.045 22.445 1.00104.20 O ATOM 3766 CB TYR D2689 67.528 57.513 23.841 1.00107.81 C ATOM 3767 CG TYR D2689 66.591 58.528 24.469 1.00109.74 C ATOM 3768 CD1 TYR D2689 66.676 59.884 24.146 1.00109.79 C ATOM 3769 CD2 TYR D2689 65.659 58.141 25.434 1.00110.54 C ATOM 3770 CE1 TYR D2689 65.858 60.828 24.771 1.00109.18 C ATOM 3771 CE2 TYR D2689 64.839 59.078 26.067 1.00109.17 C ATOM 3772 CZ TYR D2689 64.946 60.417 25.732 1.00108.68 C ATOM 3773 OH TYR D2689 64.153 61.340 26.370 1.00108.76 O ATOM 3774 N LEU D2690 70.577 55.735 24.194 1.00109.71 N ATOM 3775 CA LEU D2690 71.583 54.958 23.473 1.00115.01 C ATOM 3776 C LEU D2690 71.086 54.275 22.205 1.00120.90 C ATOM 3777 O LEU D2690 71.887 53.850 21.369 1.00121.33 O ATOM 3778 CB LEU D2690 72.220 53.907 24.398 1.00112.10 C ATOM 3779 CG LEU D2690 71.378 52.803 25.051 1.00108.50 C ATOM 3780 CD1 LEU D2690 70.718 51.927 23.997 1.00105.59 C ATOM 3781 CD2 LEU D2690 72.280 51.963 25.952 1.00104.94 C ATOM 3782 N ASP D2691 69.770 54.163 22.062 1.00127.82 N ATOM 3783 CA ASP D2691 69.191 53.521 20.887 1.00134.10 C ATOM 3784 C ASP D2691 69.864 53.990 19.596 1.00136.17 C ATOM 3785 O ASP D2691 69.681 55.128 19.156 1.00136.39 O ATOM 3786 CB ASP D2691 67.684 53.791 20.826 1.00136.34 C ATOM 3787 CG ASP D2691 66.927 53.133 21.968 1.00137.66 C ATOM 3788 OD1 ASP D2691 66.963 51.885 22.067 1.00136.44 O ATOM 3789 OD2 ASP D2691 66.297 53.864 22.765 1.00138.87 O ATOM 3790 N GLY D2692 70.648 53.099 18.998 1.00137.27 N ATOM 3791 CA GLY D2692 71.347 53.431 17.774 1.00139.36 C ATOM 3792 C GLY D2692 72.846 53.413 17.991 1.00141.72 C ATOM 3793 O GLY D2692 73.593 54.040 17.240 1.00143.07 O ATOM 3794 N SER D2693 73.284 52.692 19.022 1.00142.80 N ATOM 3795 CA SER D2693 74.707 52.586 19.347 1.00142.38 C ATOM 3796 C SER D2693 75.323 51.296 18.803 1.00141.13 C ATOM 3797 O SER D2693 76.250 51.397 17.968 1.00138.97 O ATOM 3798 CB SER D2693 74.913 52.650 20.867 1.00141.63 C ATOM 3799 OG SER D2693 74.285 51.561 21.521 1.00140.90 O TER 3838 HOH C 28 HETATM 3839 O HOH D 2 71.934 65.669 23.050 1.00 47.45 O HETATM 3840 O HOH D 4 82.917 59.038 44.753 1.00 50.05 O HETATM 3841 O HOH D 11 77.451 44.459 36.875 1.00 65.38 O HETATM 3842 O HOH D 12 74.789 47.871 41.789 1.00 72.95 O HETATM 3843 O HOH D 14 81.878 33.163 49.638 1.00 53.69 O HETATM 3844 O HOH D 15 81.426 47.508 33.387 1.00 58.50 O HETATM 3845 O HOH D 19 69.933 43.744 52.195 1.00 52.49 O HETATM 3846 O HOH D 20 59.543 16.984 36.502 1.00 59.94 O HETATM 3847 O HOH D 22 76.904 35.096 41.007 1.00 63.00 O CONECT 1952 1951 1953 2753 CONECT 2753 1952 2752 END