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 1 1 ILE A 4 ASP A 19 1 16 HELIX 2 2 LEU A 94 GLU A 98 1 5 HELIX 3 3 THR A 108 GLU A 122 1 15 HELIX 4 4 GLN A 130 LYS A 154 1 25 HELIX 5 5 HIS B 43 ARG B 54 1 12 HELIX 6 6 THR B 76 GLY B 81 1 6 HELIX 7 7 ALA C 432 PHE C 440 1 9 HELIX 8 8 LEU C 446 SER C 454 1 9 HELIX 9 9 LEU C 456 THR C 461 1 6 HELIX 10 10 ASP C 465 SER C 478 1 14 HELIX 11 11 ALA C 484 PHE C 502 1 19 HELIX 12 12 ASN C 508 MET C 520 1 13 HELIX 13 13 LEU C 535 VAL C 546 1 12 HELIX 14 14 LEU C 555 LYS C 565 1 11 HELIX 15 15 SER C 568 VAL C 587 1 20 HELIX 16 16 THR D 2641 LEU D 2651 1 11 HELIX 17 17 ASP D 2676 LEU D 2684 1 9 SHEET 1 1 1 VAL A 25 LYS A 30 0 SHEET 2 2 1 MET A 36 PRO A 46 0 SHEET 3 3 1 LEU A 57 LEU A 63 0 SHEET 4 4 1 LYS A 74 PHE A 77 0 SHEET 5 5 1 ILE B 22 ILE B 27 0 SHEET 6 6 1 GLU B 33 VAL B 38 0 SHEET 7 7 1 PHE B 64 PHE B 66 0 SHEET 8 8 1 GLN B 69 ARG B 70 0 SHEET 9 9 1 VAL B 87 VAL B 90 0 SHEET 10 10 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 ATOM 1 N SER A 2 78.293 64.872 70.596 1.00 90.43 N ATOM 2 CA SER A 2 78.551 63.968 69.430 1.00 94.47 C ATOM 3 C SER A 2 79.401 62.760 69.823 1.00 95.26 C ATOM 4 O SER A 2 79.411 62.350 70.986 1.00 97.66 O ATOM 5 N GLY A 3 80.114 62.189 68.858 1.00 92.84 N ATOM 6 CA GLY A 3 80.948 61.042 69.170 1.00 91.07 C ATOM 7 C GLY A 3 82.238 60.957 68.376 1.00 89.20 C ATOM 8 O GLY A 3 83.328 61.190 68.899 1.00 87.10 O ATOM 9 N ILE A 4 82.106 60.624 67.099 1.00 87.18 N ATOM 10 CA ILE A 4 83.253 60.480 66.221 1.00 85.56 C ATOM 11 C ILE A 4 83.002 61.240 64.917 1.00 84.07 C ATOM 12 O ILE A 4 83.351 60.781 63.828 1.00 82.98 O ATOM 13 CB ILE A 4 83.482 58.993 65.927 1.00 87.37 C ATOM 14 CG1 ILE A 4 83.465 58.209 67.239 1.00 89.35 C ATOM 15 CG2 ILE A 4 84.820 58.789 65.251 1.00 93.05 C ATOM 16 CD1 ILE A 4 83.683 56.716 67.076 1.00 93.50 C ATOM 17 N ALA A 5 82.398 62.417 65.043 1.00 81.78 N ATOM 18 CA ALA A 5 82.072 63.240 63.886 1.00 79.22 C ATOM 19 C ALA A 5 83.269 63.536 62.998 1.00 78.37 C ATOM 20 O ALA A 5 83.341 63.076 61.860 1.00 76.30 O ATOM 21 CB ALA A 5 81.444 64.540 64.346 1.00 78.31 C ATOM 22 N LEU A 6 84.208 64.304 63.538 1.00 79.51 N ATOM 23 CA LEU A 6 85.409 64.714 62.817 1.00 77.62 C ATOM 24 C LEU A 6 86.208 63.594 62.163 1.00 76.08 C ATOM 25 O LEU A 6 86.989 63.841 61.243 1.00 75.57 O ATOM 26 CB LEU A 6 86.314 65.510 63.756 1.00 74.36 C ATOM 27 CG LEU A 6 85.616 66.738 64.335 1.00 72.78 C ATOM 28 CD1 LEU A 6 86.572 67.470 65.252 1.00 75.67 C ATOM 29 CD2 LEU A 6 85.141 67.647 63.206 1.00 70.58 C ATOM 30 N SER A 7 86.015 62.368 62.633 1.00 73.56 N ATOM 31 CA SER A 7 86.735 61.234 62.070 1.00 72.17 C ATOM 32 C SER A 7 85.974 60.689 60.869 1.00 70.54 C ATOM 33 O SER A 7 86.492 60.636 59.749 1.00 68.86 O ATOM 34 CB SER A 7 86.888 60.145 63.126 1.00 71.49 C ATOM 35 OG SER A 7 87.340 60.702 64.345 1.00 72.03 O ATOM 36 N ARG A 8 84.740 60.277 61.119 1.00 67.50 N ATOM 37 CA ARG A 8 83.889 59.747 60.071 1.00 64.58 C ATOM 38 C ARG A 8 83.922 60.740 58.907 1.00 64.34 C ATOM 39 O ARG A 8 84.166 60.370 57.755 1.00 63.16 O ATOM 40 CB ARG A 8 82.475 59.597 60.619 1.00 61.32 C ATOM 41 CG ARG A 8 81.445 59.096 59.641 1.00 60.04 C ATOM 42 CD ARG A 8 80.076 59.381 60.207 1.00 61.31 C ATOM 43 NE ARG A 8 79.021 59.163 59.234 1.00 64.94 N ATOM 44 CZ ARG A 8 78.452 57.988 59.014 1.00 67.41 C ATOM 45 NH1 ARG A 8 78.846 56.929 59.709 1.00 66.88 N ATOM 46 NH2 ARG A 8 77.496 57.874 58.100 1.00 68.11 N ATOM 47 N LEU A 9 83.696 62.010 59.228 1.00 63.93 N ATOM 48 CA LEU A 9 83.699 63.072 58.230 1.00 62.70 C ATOM 49 C LEU A 9 85.027 63.090 57.519 1.00 64.55 C ATOM 50 O LEU A 9 85.090 63.141 56.288 1.00 67.46 O ATOM 51 CB LEU A 9 83.469 64.414 58.901 1.00 60.74 C ATOM 52 CG LEU A 9 82.015 64.689 59.254 1.00 60.49 C ATOM 53 CD1 LEU A 9 81.944 65.694 60.403 1.00 59.80 C ATOM 54 CD2 LEU A 9 81.287 65.169 57.997 1.00 57.11 C ATOM 55 N ALA A 10 86.094 63.062 58.306 1.00 62.72 N ATOM 56 CA ALA A 10 87.428 63.058 57.743 1.00 63.06 C ATOM 57 C ALA A 10 87.476 61.953 56.696 1.00 62.13 C ATOM 58 O ALA A 10 87.827 62.184 55.536 1.00 58.29 O ATOM 59 CB ALA A 10 88.447 62.793 58.836 1.00 64.85 C ATOM 60 N GLN A 11 87.093 60.754 57.122 1.00 63.25 N ATOM 61 CA GLN A 11 87.081 59.589 56.257 1.00 65.67 C ATOM 62 C GLN A 11 86.237 59.799 55.013 1.00 66.65 C ATOM 63 O GLN A 11 86.697 59.549 53.898 1.00 67.58 O ATOM 64 CB GLN A 11 86.543 58.377 57.010 1.00 68.52 C ATOM 65 CG GLN A 11 87.330 57.991 58.245 1.00 70.73 C ATOM 66 CD GLN A 11 88.780 57.685 57.944 1.00 71.74 C ATOM 67 OE1 GLN A 11 89.106 57.055 56.933 1.00 69.36 O ATOM 68 NE2 GLN A 11 89.664 58.118 58.834 1.00 74.43 N ATOM 69 N GLU A 12 85.000 60.247 55.197 1.00 66.68 N ATOM 70 CA GLU A 12 84.125 60.454 54.055 1.00 70.18 C ATOM 71 C GLU A 12 84.753 61.382 53.014 1.00 71.65 C ATOM 72 O GLU A 12 84.465 61.257 51.822 1.00 70.94 O ATOM 73 CB GLU A 12 82.755 60.985 54.500 1.00 73.74 C ATOM 74 CG GLU A 12 82.029 60.084 55.514 1.00 80.01 C ATOM 75 CD GLU A 12 80.503 60.246 55.500 1.00 82.66 C ATOM 76 OE1 GLU A 12 79.866 59.984 56.547 1.00 80.33 O ATOM 77 OE2 GLU A 12 79.943 60.616 54.443 1.00 83.20 O ATOM 78 N ARG A 13 85.616 62.304 53.443 1.00 72.98 N ATOM 79 CA ARG A 13 86.260 63.192 52.477 1.00 72.79 C ATOM 80 C ARG A 13 87.254 62.383 51.655 1.00 73.25 C ATOM 81 O ARG A 13 87.233 62.431 50.424 1.00 73.26 O ATOM 82 CB ARG A 13 86.989 64.356 53.161 1.00 69.98 C ATOM 83 CG ARG A 13 87.773 65.248 52.182 1.00 69.19 C ATOM 84 CD ARG A 13 86.911 65.695 50.995 1.00 72.77 C ATOM 85 NE ARG A 13 87.642 66.512 50.021 1.00 76.85 N ATOM 86 CZ ARG A 13 87.156 66.906 48.839 1.00 77.35 C ATOM 87 NH1 ARG A 13 85.930 66.563 48.465 1.00 75.60 N ATOM 88 NH2 ARG A 13 87.901 67.641 48.021 1.00 76.24 N ATOM 89 N LYS A 14 88.116 61.634 52.340 1.00 72.88 N ATOM 90 CA LYS A 14 89.102 60.800 51.661 1.00 71.92 C ATOM 91 C LYS A 14 88.365 59.856 50.728 1.00 72.99 C ATOM 92 O LYS A 14 88.608 59.844 49.515 1.00 74.60 O ATOM 93 CB LYS A 14 89.924 59.998 52.674 1.00 69.79 C ATOM 94 CG LYS A 14 90.817 60.871 53.530 1.00 76.02 C ATOM 95 CD LYS A 14 91.631 60.075 54.543 1.00 81.03 C ATOM 96 CE LYS A 14 92.491 61.017 55.397 1.00 83.69 C ATOM 97 NZ LYS A 14 93.320 60.319 56.426 1.00 83.72 N ATOM 98 N ALA A 15 87.451 59.074 51.299 1.00 70.70 N ATOM 99 CA ALA A 15 86.663 58.126 50.521 1.00 65.11 C ATOM 100 C ALA A 15 86.083 58.849 49.312 1.00 61.78 C ATOM 101 O ALA A 15 86.144 58.348 48.190 1.00 58.87 O ATOM 102 CB ALA A 15 85.536 57.541 51.381 1.00 61.81 C ATOM 103 N TRP A 16 85.540 60.041 49.547 1.00 60.07 N ATOM 104 CA TRP A 16 84.941 60.824 48.479 1.00 59.36 C ATOM 105 C TRP A 16 85.922 61.158 47.369 1.00 60.01 C ATOM 106 O TRP A 16 85.578 61.137 46.188 1.00 58.14 O ATOM 107 CB TRP A 16 84.347 62.125 49.023 1.00 56.68 C ATOM 108 CG TRP A 16 83.836 63.002 47.919 1.00 57.88 C ATOM 109 CD1 TRP A 16 84.570 63.860 47.142 1.00 58.61 C ATOM 110 CD2 TRP A 16 82.510 63.011 47.380 1.00 56.08 C ATOM 111 NE1 TRP A 16 83.782 64.393 46.150 1.00 59.99 N ATOM 112 CE2 TRP A 16 82.514 63.888 46.272 1.00 59.14 C ATOM 113 CE3 TRP A 16 81.321 62.358 47.721 1.00 49.18 C ATOM 114 CZ2 TRP A 16 81.374 64.125 45.506 1.00 57.76 C ATOM 115 CZ3 TRP A 16 80.192 62.592 46.960 1.00 48.96 C ATOM 116 CH2 TRP A 16 80.226 63.466 45.865 1.00 55.01 C ATOM 117 N ARG A 17 87.144 61.486 47.750 1.00 62.95 N ATOM 118 CA ARG A 17 88.143 61.837 46.763 1.00 67.59 C ATOM 119 C ARG A 17 88.481 60.626 45.913 1.00 70.85 C ATOM 120 O ARG A 17 88.406 60.675 44.686 1.00 69.91 O ATOM 121 CB ARG A 17 89.391 62.368 47.457 1.00 68.81 C ATOM 122 CG ARG A 17 89.101 63.528 48.387 1.00 72.31 C ATOM 123 CD ARG A 17 90.293 64.456 48.480 1.00 76.74 C ATOM 124 NE ARG A 17 91.417 63.851 49.184 1.00 77.68 N ATOM 125 CZ ARG A 17 92.661 64.304 49.112 1.00 76.53 C ATOM 126 NH1 ARG A 17 92.931 65.364 48.362 1.00 76.75 N ATOM 127 NH2 ARG A 17 93.629 63.696 49.787 1.00 74.91 N ATOM 128 N LYS A 18 88.846 59.535 46.575 1.00 75.69 N ATOM 129 CA LYS A 18 89.196 58.309 45.877 1.00 78.98 C ATOM 130 C LYS A 18 88.053 57.904 44.955 1.00 83.03 C ATOM 131 O LYS A 18 88.248 57.738 43.749 1.00 82.56 O ATOM 132 CB LYS A 18 89.478 57.198 46.886 1.00 76.62 C ATOM 133 N ASP A 19 86.859 57.771 45.532 1.00 88.62 N ATOM 134 CA ASP A 19 85.657 57.384 44.791 1.00 91.77 C ATOM 135 C ASP A 19 84.452 58.280 45.076 1.00 88.99 C ATOM 136 O ASP A 19 84.224 58.686 46.215 1.00 88.09 O ATOM 137 CB ASP A 19 85.278 55.937 45.126 1.00 98.05 C ATOM 138 CG ASP A 19 83.806 55.635 44.849 1.00104.63 C ATOM 139 OD1 ASP A 19 83.387 55.716 43.670 1.00106.54 O ATOM 140 OD2 ASP A 19 83.073 55.323 45.818 1.00105.98 O ATOM 141 N HIS A 20 83.681 58.575 44.036 1.00 85.84 N ATOM 142 CA HIS A 20 82.483 59.388 44.187 1.00 84.78 C ATOM 143 C HIS A 20 81.730 59.481 42.867 1.00 82.24 C ATOM 144 O HIS A 20 82.333 59.420 41.794 1.00 81.82 O ATOM 145 CB HIS A 20 82.839 60.787 44.698 1.00 87.07 C ATOM 146 CG HIS A 20 83.532 61.645 43.689 1.00 90.46 C ATOM 147 ND1 HIS A 20 82.928 62.052 42.520 1.00 94.33 N ATOM 148 CD2 HIS A 20 84.772 62.186 43.681 1.00 91.24 C ATOM 149 CE1 HIS A 20 83.766 62.808 41.833 1.00 95.15 C ATOM 150 NE2 HIS A 20 84.893 62.905 42.516 1.00 95.36 N ATOM 151 N PRO A 21 80.392 59.627 42.932 1.00 79.60 N ATOM 152 CA PRO A 21 79.522 59.731 41.752 1.00 76.08 C ATOM 153 C PRO A 21 80.008 60.782 40.771 1.00 72.29 C ATOM 154 O PRO A 21 80.597 61.780 41.163 1.00 72.06 O ATOM 155 CB PRO A 21 78.164 60.073 42.356 1.00 76.23 C ATOM 156 CG PRO A 21 78.529 60.789 43.622 1.00 78.03 C ATOM 157 CD PRO A 21 79.636 59.932 44.157 1.00 78.67 C ATOM 158 N PHE A 22 79.755 60.561 39.492 1.00 71.08 N ATOM 159 CA PHE A 22 80.217 61.499 38.487 1.00 74.29 C ATOM 160 C PHE A 22 79.370 62.755 38.418 1.00 71.92 C ATOM 161 O PHE A 22 78.151 62.682 38.476 1.00 74.04 O ATOM 162 CB PHE A 22 80.245 60.831 37.110 1.00 79.83 C ATOM 163 CG PHE A 22 81.041 61.595 36.081 1.00 84.41 C ATOM 164 CD1 PHE A 22 82.421 61.723 36.207 1.00 85.75 C ATOM 165 CD2 PHE A 22 80.411 62.200 34.998 1.00 85.87 C ATOM 166 CE1 PHE A 22 83.155 62.440 35.272 1.00 87.25 C ATOM 167 CE2 PHE A 22 81.138 62.920 34.058 1.00 84.84 C ATOM 168 CZ PHE A 22 82.511 63.040 34.195 1.00 87.37 C ATOM 169 N GLY A 23 80.026 63.905 38.296 1.00 69.98 N ATOM 170 CA GLY A 23 79.310 65.164 38.192 1.00 68.95 C ATOM 171 C GLY A 23 78.989 65.833 39.510 1.00 68.94 C ATOM 172 O GLY A 23 78.552 66.985 39.537 1.00 67.84 O ATOM 173 N PHE A 24 79.198 65.113 40.606 1.00 70.82 N ATOM 174 CA PHE A 24 78.918 65.646 41.936 1.00 71.40 C ATOM 175 C PHE A 24 80.162 66.274 42.543 1.00 68.91 C ATOM 176 O PHE A 24 81.276 65.821 42.306 1.00 68.46 O ATOM 177 CB PHE A 24 78.431 64.538 42.890 1.00 74.50 C ATOM 178 CG PHE A 24 77.011 64.075 42.650 1.00 75.07 C ATOM 179 CD1 PHE A 24 76.672 63.357 41.505 1.00 75.20 C ATOM 180 CD2 PHE A 24 76.026 64.312 43.606 1.00 75.25 C ATOM 181 CE1 PHE A 24 75.374 62.877 41.317 1.00 75.43 C ATOM 182 CE2 PHE A 24 74.725 63.836 43.428 1.00 77.24 C ATOM 183 CZ PHE A 24 74.399 63.115 42.282 1.00 76.57 C ATOM 184 N VAL A 25 79.957 67.312 43.342 1.00 69.70 N ATOM 185 CA VAL A 25 81.055 67.990 44.011 1.00 69.23 C ATOM 186 C VAL A 25 80.759 68.102 45.496 1.00 71.93 C ATOM 187 O VAL A 25 79.673 68.539 45.888 1.00 71.67 O ATOM 188 CB VAL A 25 81.240 69.389 43.483 1.00 65.64 C ATOM 189 CG1 VAL A 25 82.503 69.977 44.075 1.00 63.93 C ATOM 190 CG2 VAL A 25 81.270 69.362 41.969 1.00 64.21 C ATOM 191 N ALA A 26 81.723 67.716 46.322 1.00 73.12 N ATOM 192 CA ALA A 26 81.537 67.772 47.764 1.00 75.35 C ATOM 193 C ALA A 26 82.815 68.199 48.468 1.00 77.54 C ATOM 194 O ALA A 26 83.415 67.424 49.213 1.00 80.27 O ATOM 195 CB ALA A 26 81.083 66.415 48.281 1.00 75.73 C ATOM 196 N VAL A 27 83.228 69.437 48.235 1.00 76.32 N ATOM 197 CA VAL A 27 84.438 69.948 48.853 1.00 73.95 C ATOM 198 C VAL A 27 84.135 70.700 50.132 1.00 71.91 C ATOM 199 O VAL A 27 83.327 71.626 50.140 1.00 73.24 O ATOM 200 CB VAL A 27 85.166 70.900 47.921 1.00 74.43 C ATOM 201 CG1 VAL A 27 86.494 71.297 48.535 1.00 74.54 C ATOM 202 CG2 VAL A 27 85.359 70.241 46.573 1.00 77.16 C ATOM 203 N PRO A 28 84.778 70.309 51.237 1.00 69.34 N ATOM 204 CA PRO A 28 84.548 70.985 52.516 1.00 70.11 C ATOM 205 C PRO A 28 85.021 72.424 52.380 1.00 70.97 C ATOM 206 O PRO A 28 85.396 72.857 51.293 1.00 72.21 O ATOM 207 CB PRO A 28 85.424 70.200 53.493 1.00 69.54 C ATOM 208 CG PRO A 28 85.529 68.845 52.856 1.00 71.87 C ATOM 209 CD PRO A 28 85.699 69.173 51.395 1.00 68.12 C ATOM 210 N THR A 29 84.995 73.171 53.474 1.00 71.77 N ATOM 211 CA THR A 29 85.471 74.542 53.437 1.00 75.10 C ATOM 212 C THR A 29 86.741 74.547 54.276 1.00 80.88 C ATOM 213 O THR A 29 87.299 73.483 54.557 1.00 82.74 O ATOM 214 CB THR A 29 84.438 75.532 54.026 1.00 72.00 C ATOM 215 OG1 THR A 29 84.128 75.166 55.375 1.00 71.59 O ATOM 216 CG2 THR A 29 83.167 75.527 53.199 1.00 69.47 C ATOM 217 N LYS A 30 87.208 75.727 54.675 1.00 83.50 N ATOM 218 CA LYS A 30 88.419 75.806 55.482 1.00 82.33 C ATOM 219 C LYS A 30 88.313 76.749 56.673 1.00 80.93 C ATOM 220 O LYS A 30 87.536 77.702 56.669 1.00 78.22 O ATOM 221 CB LYS A 30 89.603 76.189 54.596 1.00 82.04 C ATOM 222 CG LYS A 30 90.128 75.023 53.779 1.00 84.68 C ATOM 223 CD LYS A 30 91.145 75.464 52.749 1.00 87.36 C ATOM 224 CE LYS A 30 90.470 76.256 51.654 1.00 89.51 C ATOM 225 NZ LYS A 30 89.385 75.452 51.023 1.00 90.19 N ATOM 226 N ASN A 31 89.094 76.455 57.704 1.00 82.51 N ATOM 227 CA ASN A 31 89.110 77.263 58.917 1.00 86.84 C ATOM 228 C ASN A 31 90.068 78.428 58.726 1.00 86.78 C ATOM 229 O ASN A 31 90.742 78.528 57.702 1.00 86.73 O ATOM 230 CB ASN A 31 89.597 76.421 60.104 1.00 90.42 C ATOM 231 CG ASN A 31 88.629 75.321 60.483 1.00 94.07 C ATOM 232 OD1 ASN A 31 87.498 75.587 60.902 1.00 96.25 O ATOM 233 ND2 ASN A 31 89.067 74.073 60.340 1.00 94.64 N ATOM 234 N PRO A 32 90.126 79.346 59.702 1.00 86.54 N ATOM 235 CA PRO A 32 91.070 80.442 59.499 1.00 86.99 C ATOM 236 C PRO A 32 92.481 79.826 59.544 1.00 87.33 C ATOM 237 O PRO A 32 93.367 80.198 58.771 1.00 84.88 O ATOM 238 CB PRO A 32 90.777 81.366 60.683 1.00 87.86 C ATOM 239 CG PRO A 32 90.268 80.416 61.752 1.00 83.04 C ATOM 240 CD PRO A 32 89.368 79.516 60.956 1.00 83.92 C ATOM 241 N ASP A 33 92.644 78.855 60.448 1.00 87.70 N ATOM 242 CA ASP A 33 93.893 78.120 60.671 1.00 85.96 C ATOM 243 C ASP A 33 94.511 77.605 59.390 1.00 84.90 C ATOM 244 O ASP A 33 95.628 77.091 59.405 1.00 83.87 O ATOM 245 CB ASP A 33 93.648 76.909 61.584 1.00 89.66 C ATOM 246 CG ASP A 33 93.700 77.256 63.065 1.00 94.04 C ATOM 247 OD1 ASP A 33 93.095 78.275 63.461 1.00 96.46 O ATOM 248 OD2 ASP A 33 94.336 76.499 63.836 1.00 93.33 O ATOM 249 N GLY A 34 93.781 77.736 58.288 1.00 86.42 N ATOM 250 CA GLY A 34 94.268 77.244 57.011 1.00 86.26 C ATOM 251 C GLY A 34 93.835 75.797 56.871 1.00 84.72 C ATOM 252 O GLY A 34 93.731 75.263 55.763 1.00 83.51 O ATOM 253 N THR A 35 93.579 75.166 58.018 1.00 82.98 N ATOM 254 CA THR A 35 93.133 73.778 58.073 1.00 78.97 C ATOM 255 C THR A 35 91.864 73.573 57.251 1.00 78.48 C ATOM 256 O THR A 35 91.410 74.468 56.537 1.00 78.04 O ATOM 257 CB THR A 35 92.851 73.328 59.530 1.00 75.23 C ATOM 258 OG1 THR A 35 92.218 74.396 60.247 1.00 72.41 O ATOM 259 CG2 THR A 35 94.132 72.927 60.229 1.00 71.90 C ATOM 260 N MET A 36 91.284 72.386 57.375 1.00 76.96 N ATOM 261 CA MET A 36 90.084 72.042 56.636 1.00 73.48 C ATOM 262 C MET A 36 88.873 72.016 57.563 1.00 71.74 C ATOM 263 O MET A 36 88.937 71.502 58.683 1.00 69.89 O ATOM 264 CB MET A 36 90.296 70.681 55.974 1.00 73.96 C ATOM 265 CG MET A 36 89.302 70.302 54.904 1.00 76.49 C ATOM 266 SD MET A 36 89.907 68.874 53.964 1.00 85.43 S ATOM 267 CE MET A 36 90.258 67.676 55.296 1.00 79.54 C ATOM 268 N ASN A 37 87.772 72.591 57.093 1.00 71.59 N ATOM 269 CA ASN A 37 86.535 72.627 57.863 1.00 71.82 C ATOM 270 C ASN A 37 85.649 71.443 57.474 1.00 72.91 C ATOM 271 O ASN A 37 85.242 71.303 56.314 1.00 73.95 O ATOM 272 CB ASN A 37 85.798 73.934 57.602 1.00 72.73 C ATOM 273 CG ASN A 37 84.557 74.080 58.451 1.00 76.35 C ATOM 274 OD1 ASN A 37 83.937 75.143 58.471 1.00 80.85 O ATOM 275 ND2 ASN A 37 84.182 73.014 59.157 1.00 74.25 N ATOM 276 N LEU A 38 85.352 70.593 58.454 1.00 69.38 N ATOM 277 CA LEU A 38 84.546 69.410 58.211 1.00 63.78 C ATOM 278 C LEU A 38 83.080 69.569 58.565 1.00 63.57 C ATOM 279 O LEU A 38 82.234 68.842 58.044 1.00 62.08 O ATOM 280 CB LEU A 38 85.138 68.227 58.970 1.00 59.39 C ATOM 281 CG LEU A 38 86.495 67.782 58.418 1.00 56.72 C ATOM 282 CD1 LEU A 38 86.954 66.540 59.163 1.00 54.03 C ATOM 283 CD2 LEU A 38 86.386 67.505 56.904 1.00 53.37 C ATOM 284 N MET A 39 82.788 70.527 59.441 1.00 64.41 N ATOM 285 CA MET A 39 81.419 70.793 59.874 1.00 65.75 C ATOM 286 C MET A 39 80.644 71.595 58.836 1.00 66.23 C ATOM 287 O MET A 39 79.493 71.975 59.062 1.00 68.68 O ATOM 288 CB MET A 39 81.428 71.568 61.187 1.00 65.97 C ATOM 289 CG MET A 39 82.178 70.864 62.275 1.00 74.69 C ATOM 290 SD MET A 39 81.510 69.222 62.548 1.00 80.61 S ATOM 291 CE MET A 39 81.343 69.225 64.384 1.00 78.60 C ATOM 292 N ASN A 40 81.265 71.841 57.692 1.00 62.48 N ATOM 293 CA ASN A 40 80.615 72.622 56.661 1.00 58.90 C ATOM 294 C ASN A 40 81.239 72.330 55.315 1.00 60.25 C ATOM 295 O ASN A 40 82.412 72.602 55.104 1.00 65.66 O ATOM 296 CB ASN A 40 80.778 74.096 56.995 1.00 58.24 C ATOM 297 CG ASN A 40 80.181 74.987 55.956 1.00 60.97 C ATOM 298 OD1 ASN A 40 80.440 74.828 54.765 1.00 64.06 O ATOM 299 ND2 ASN A 40 79.377 75.946 56.392 1.00 62.11 N ATOM 300 N TRP A 41 80.454 71.780 54.400 1.00 61.19 N ATOM 301 CA TRP A 41 80.944 71.453 53.063 1.00 60.87 C ATOM 302 C TRP A 41 80.222 72.330 52.054 1.00 62.73 C ATOM 303 O TRP A 41 79.308 73.070 52.399 1.00 62.53 O ATOM 304 CB TRP A 41 80.655 69.987 52.732 1.00 59.23 C ATOM 305 CG TRP A 41 81.288 68.987 53.661 1.00 59.59 C ATOM 306 CD1 TRP A 41 81.344 69.038 55.036 1.00 59.17 C ATOM 307 CD2 TRP A 41 81.923 67.763 53.283 1.00 58.52 C ATOM 308 NE1 TRP A 41 81.974 67.920 55.529 1.00 58.11 N ATOM 309 CE2 TRP A 41 82.340 67.120 54.476 1.00 60.49 C ATOM 310 CE3 TRP A 41 82.180 67.143 52.051 1.00 52.56 C ATOM 311 CZ2 TRP A 41 83.003 65.888 54.469 1.00 59.98 C ATOM 312 CZ3 TRP A 41 82.836 65.922 52.043 1.00 53.19 C ATOM 313 CH2 TRP A 41 83.242 65.305 53.246 1.00 58.05 C ATOM 314 N GLU A 42 80.643 72.252 50.804 1.00 67.38 N ATOM 315 CA GLU A 42 80.003 73.017 49.742 1.00 74.15 C ATOM 316 C GLU A 42 79.811 72.053 48.595 1.00 74.50 C ATOM 317 O GLU A 42 80.717 71.848 47.791 1.00 77.34 O ATOM 318 CB GLU A 42 80.872 74.201 49.301 1.00 79.75 C ATOM 319 CG GLU A 42 80.889 75.357 50.300 1.00 85.19 C ATOM 320 CD GLU A 42 81.198 76.699 49.653 1.00 85.62 C ATOM 321 OE1 GLU A 42 80.441 77.112 48.743 1.00 83.21 O ATOM 322 OE2 GLU A 42 82.191 77.340 50.061 1.00 85.99 O ATOM 323 N CYS A 43 78.626 71.458 48.528 1.00 72.53 N ATOM 324 CA CYS A 43 78.330 70.477 47.497 1.00 70.81 C ATOM 325 C CYS A 43 77.609 71.037 46.291 1.00 63.57 C ATOM 326 O CYS A 43 77.070 72.141 46.324 1.00 59.04 O ATOM 327 CB CYS A 43 77.518 69.336 48.102 1.00 78.16 C ATOM 328 SG CYS A 43 78.224 68.713 49.651 1.00 90.39 S ATOM 329 N ALA A 44 77.600 70.255 45.221 1.00 59.97 N ATOM 330 CA ALA A 44 76.955 70.674 43.992 1.00 61.78 C ATOM 331 C ALA A 44 76.442 69.463 43.228 1.00 62.46 C ATOM 332 O ALA A 44 77.217 68.680 42.680 1.00 64.08 O ATOM 333 CB ALA A 44 77.936 71.452 43.146 1.00 65.44 C ATOM 334 N ILE A 45 75.122 69.328 43.193 1.00 62.12 N ATOM 335 CA ILE A 45 74.470 68.214 42.525 1.00 57.52 C ATOM 336 C ILE A 45 74.104 68.505 41.081 1.00 58.22 C ATOM 337 O ILE A 45 73.499 69.532 40.756 1.00 56.08 O ATOM 338 CB ILE A 45 73.196 67.802 43.272 1.00 53.22 C ATOM 339 CG1 ILE A 45 73.567 67.314 44.670 1.00 51.04 C ATOM 340 CG2 ILE A 45 72.458 66.732 42.488 1.00 51.90 C ATOM 341 CD1 ILE A 45 72.388 67.053 45.554 1.00 50.43 C ATOM 342 N PRO A 46 74.473 67.588 40.187 1.00 58.94 N ATOM 343 CA PRO A 46 74.175 67.749 38.768 1.00 57.59 C ATOM 344 C PRO A 46 72.685 67.555 38.575 1.00 58.77 C ATOM 345 O PRO A 46 71.986 67.124 39.491 1.00 58.09 O ATOM 346 CB PRO A 46 74.977 66.629 38.131 1.00 59.10 C ATOM 347 CG PRO A 46 74.856 65.536 39.160 1.00 58.95 C ATOM 348 CD PRO A 46 75.121 66.291 40.446 1.00 58.26 C ATOM 349 N GLY A 47 72.196 67.881 37.388 1.00 62.75 N ATOM 350 CA GLY A 47 70.787 67.693 37.116 1.00 64.74 C ATOM 351 C GLY A 47 70.639 66.198 36.982 1.00 66.65 C ATOM 352 O GLY A 47 71.323 65.447 37.677 1.00 67.91 O ATOM 353 N LYS A 48 69.763 65.748 36.099 1.00 67.71 N ATOM 354 CA LYS A 48 69.593 64.318 35.913 1.00 70.64 C ATOM 355 C LYS A 48 69.185 64.042 34.475 1.00 73.80 C ATOM 356 O LYS A 48 68.065 64.349 34.070 1.00 74.57 O ATOM 357 CB LYS A 48 68.549 63.775 36.895 1.00 67.51 C ATOM 358 CG LYS A 48 68.529 62.263 36.985 1.00 67.23 C ATOM 359 CD LYS A 48 67.745 61.784 38.191 1.00 66.94 C ATOM 360 CE LYS A 48 67.769 60.265 38.283 1.00 68.39 C ATOM 361 NZ LYS A 48 67.150 59.756 39.540 1.00 69.44 N ATOM 362 N LYS A 49 70.112 63.477 33.705 1.00 76.91 N ATOM 363 CA LYS A 49 69.870 63.163 32.300 1.00 80.44 C ATOM 364 C LYS A 49 68.484 62.567 32.115 1.00 82.76 C ATOM 365 O LYS A 49 68.129 61.582 32.769 1.00 83.75 O ATOM 366 CB LYS A 49 70.931 62.188 31.779 1.00 80.84 C ATOM 367 N GLY A 50 67.707 63.172 31.221 1.00 83.25 N ATOM 368 CA GLY A 50 66.356 62.709 30.969 1.00 82.57 C ATOM 369 C GLY A 50 65.367 63.673 31.595 1.00 82.26 C ATOM 370 O GLY A 50 64.543 64.264 30.905 1.00 86.72 O ATOM 371 N THR A 51 65.458 63.842 32.907 1.00 79.44 N ATOM 372 CA THR A 51 64.569 64.743 33.628 1.00 76.38 C ATOM 373 C THR A 51 64.717 66.165 33.092 1.00 77.10 C ATOM 374 O THR A 51 65.710 66.488 32.444 1.00 76.78 O ATOM 375 CB THR A 51 64.905 64.760 35.130 1.00 74.66 C ATOM 376 OG1 THR A 51 65.943 65.715 35.380 1.00 72.97 O ATOM 377 CG2 THR A 51 65.393 63.393 35.576 1.00 74.62 C ATOM 378 N PRO A 52 63.721 67.030 33.347 1.00 78.72 N ATOM 379 CA PRO A 52 63.769 68.422 32.885 1.00 77.58 C ATOM 380 C PRO A 52 64.747 69.236 33.725 1.00 77.26 C ATOM 381 O PRO A 52 64.968 70.418 33.472 1.00 78.46 O ATOM 382 CB PRO A 52 62.330 68.890 33.058 1.00 78.55 C ATOM 383 CG PRO A 52 61.868 68.109 34.249 1.00 80.01 C ATOM 384 CD PRO A 52 62.415 66.729 33.962 1.00 80.63 C ATOM 385 N TRP A 53 65.322 68.586 34.733 1.00 76.18 N ATOM 386 CA TRP A 53 66.287 69.212 35.628 1.00 75.43 C ATOM 387 C TRP A 53 67.694 69.093 35.067 1.00 76.35 C ATOM 388 O TRP A 53 68.649 69.602 35.649 1.00 77.47 O ATOM 389 CB TRP A 53 66.260 68.537 36.998 1.00 75.52 C ATOM 390 CG TRP A 53 65.098 68.912 37.846 1.00 75.94 C ATOM 391 CD1 TRP A 53 63.842 68.369 37.823 1.00 76.34 C ATOM 392 CD2 TRP A 53 65.078 69.930 38.840 1.00 73.60 C ATOM 393 NE1 TRP A 53 63.043 68.991 38.750 1.00 74.23 N ATOM 394 CE2 TRP A 53 63.780 69.954 39.387 1.00 75.34 C ATOM 395 CE3 TRP A 53 66.034 70.829 39.322 1.00 72.67 C ATOM 396 CZ2 TRP A 53 63.417 70.843 40.394 1.00 77.73 C ATOM 397 CZ3 TRP A 53 65.675 71.711 40.318 1.00 73.27 C ATOM 398 CH2 TRP A 53 64.377 71.713 40.846 1.00 76.63 C ATOM 399 N GLU A 54 67.819 68.405 33.940 1.00 76.99 N ATOM 400 CA GLU A 54 69.117 68.207 33.320 1.00 75.72 C ATOM 401 C GLU A 54 69.768 69.515 32.914 1.00 72.38 C ATOM 402 O GLU A 54 69.108 70.539 32.784 1.00 70.80 O ATOM 403 CB GLU A 54 68.989 67.310 32.088 1.00 79.38 C ATOM 404 CG GLU A 54 70.311 67.087 31.376 1.00 89.34 C ATOM 405 CD GLU A 54 70.165 66.349 30.064 1.00 96.63 C ATOM 406 OE1 GLU A 54 69.392 66.822 29.200 1.00 99.73 O ATOM 407 OE2 GLU A 54 70.830 65.301 29.896 1.00101.15 O ATOM 408 N GLY A 55 71.080 69.469 32.728 1.00 71.87 N ATOM 409 CA GLY A 55 71.803 70.645 32.302 1.00 72.09 C ATOM 410 C GLY A 55 72.467 71.435 33.398 1.00 72.66 C ATOM 411 O GLY A 55 73.654 71.739 33.306 1.00 75.72 O ATOM 412 N GLY A 56 71.710 71.764 34.439 1.00 71.34 N ATOM 413 CA GLY A 56 72.259 72.561 35.519 1.00 69.11 C ATOM 414 C GLY A 56 73.014 71.828 36.606 1.00 66.61 C ATOM 415 O GLY A 56 72.917 70.614 36.736 1.00 69.14 O ATOM 416 N LEU A 57 73.781 72.584 37.380 1.00 64.21 N ATOM 417 CA LEU A 57 74.551 72.041 38.490 1.00 64.90 C ATOM 418 C LEU A 57 74.116 72.900 39.669 1.00 63.00 C ATOM 419 O LEU A 57 74.368 74.101 39.685 1.00 63.82 O ATOM 420 CB LEU A 57 76.049 72.213 38.237 1.00 66.91 C ATOM 421 CG LEU A 57 76.980 71.130 38.789 1.00 67.34 C ATOM 422 CD1 LEU A 57 78.424 71.571 38.613 1.00 65.29 C ATOM 423 CD2 LEU A 57 76.675 70.872 40.253 1.00 66.00 C ATOM 424 N PHE A 58 73.465 72.292 40.654 1.00 60.30 N ATOM 425 CA PHE A 58 72.959 73.048 41.794 1.00 59.60 C ATOM 426 C PHE A 58 73.773 72.911 43.061 1.00 59.85 C ATOM 427 O PHE A 58 73.917 71.826 43.610 1.00 57.40 O ATOM 428 CB PHE A 58 71.519 72.633 42.044 1.00 60.01 C ATOM 429 CG PHE A 58 70.699 72.590 40.793 1.00 61.04 C ATOM 430 CD1 PHE A 58 70.198 73.758 40.235 1.00 59.89 C ATOM 431 CD2 PHE A 58 70.497 71.384 40.123 1.00 60.38 C ATOM 432 CE1 PHE A 58 69.513 73.728 39.032 1.00 59.63 C ATOM 433 CE2 PHE A 58 69.814 71.343 38.919 1.00 57.36 C ATOM 434 CZ PHE A 58 69.321 72.516 38.372 1.00 58.23 C ATOM 435 N LYS A 59 74.300 74.038 43.525 1.00 62.25 N ATOM 436 CA LYS A 59 75.112 74.053 44.726 1.00 62.33 C ATOM 437 C LYS A 59 74.223 73.955 45.941 1.00 60.94 C ATOM 438 O LYS A 59 73.060 74.335 45.902 1.00 63.44 O ATOM 439 CB LYS A 59 75.927 75.344 44.819 1.00 65.24 C ATOM 440 CG LYS A 59 76.729 75.417 46.100 1.00 71.14 C ATOM 441 CD LYS A 59 77.139 76.826 46.484 1.00 76.27 C ATOM 442 CE LYS A 59 78.364 77.291 45.734 1.00 80.39 C ATOM 443 NZ LYS A 59 79.041 78.403 46.462 1.00 84.67 N ATOM 444 N LEU A 60 74.784 73.446 47.023 1.00 59.57 N ATOM 445 CA LEU A 60 74.062 73.308 48.270 1.00 59.94 C ATOM 446 C LEU A 60 75.134 73.187 49.334 1.00 63.43 C ATOM 447 O LEU A 60 76.172 72.563 49.106 1.00 65.97 O ATOM 448 CB LEU A 60 73.190 72.047 48.246 1.00 58.63 C ATOM 449 CG LEU A 60 73.914 70.693 48.202 1.00 61.15 C ATOM 450 CD1 LEU A 60 74.207 70.209 49.620 1.00 64.02 C ATOM 451 CD2 LEU A 60 73.055 69.667 47.492 1.00 59.72 C ATOM 452 N ARG A 61 74.904 73.805 50.483 1.00 64.70 N ATOM 453 CA ARG A 61 75.863 73.721 51.574 1.00 64.36 C ATOM 454 C ARG A 61 75.462 72.496 52.377 1.00 63.11 C ATOM 455 O ARG A 61 74.466 71.852 52.067 1.00 63.58 O ATOM 456 CB ARG A 61 75.795 74.981 52.440 1.00 64.22 C ATOM 457 CG ARG A 61 76.808 75.027 53.564 1.00 65.83 C ATOM 458 CD ARG A 61 76.889 76.421 54.151 1.00 68.97 C ATOM 459 NE ARG A 61 77.295 77.414 53.156 1.00 74.35 N ATOM 460 CZ ARG A 61 78.495 77.465 52.579 1.00 76.59 C ATOM 461 NH1 ARG A 61 79.433 76.578 52.888 1.00 75.10 N ATOM 462 NH2 ARG A 61 78.761 78.409 51.684 1.00 77.82 N ATOM 463 N MET A 62 76.233 72.159 53.396 1.00 62.08 N ATOM 464 CA MET A 62 75.910 71.004 54.209 1.00 62.28 C ATOM 465 C MET A 62 76.580 71.205 55.549 1.00 61.92 C ATOM 466 O MET A 62 77.789 71.053 55.692 1.00 61.71 O ATOM 467 CB MET A 62 76.412 69.733 53.530 1.00 66.60 C ATOM 468 CG MET A 62 75.849 68.456 54.121 1.00 72.89 C ATOM 469 SD MET A 62 76.346 67.004 53.177 1.00 78.28 S ATOM 470 CE MET A 62 75.312 67.209 51.716 1.00 76.59 C ATOM 471 N LEU A 63 75.782 71.563 56.538 1.00 63.43 N ATOM 472 CA LEU A 63 76.310 71.824 57.861 1.00 66.31 C ATOM 473 C LEU A 63 76.100 70.627 58.764 1.00 65.33 C ATOM 474 O LEU A 63 74.983 70.126 58.879 1.00 65.75 O ATOM 475 CB LEU A 63 75.609 73.053 58.437 1.00 70.59 C ATOM 476 CG LEU A 63 75.522 74.221 57.446 1.00 70.67 C ATOM 477 CD1 LEU A 63 74.356 75.132 57.811 1.00 70.43 C ATOM 478 CD2 LEU A 63 76.843 74.975 57.425 1.00 67.71 C ATOM 479 N PHE A 64 77.178 70.166 59.393 1.00 64.58 N ATOM 480 CA PHE A 64 77.111 69.029 60.307 1.00 64.82 C ATOM 481 C PHE A 64 77.257 69.522 61.737 1.00 66.34 C ATOM 482 O PHE A 64 77.954 70.495 61.999 1.00 66.45 O ATOM 483 CB PHE A 64 78.221 68.016 60.020 1.00 60.59 C ATOM 484 CG PHE A 64 78.121 67.357 58.675 1.00 59.08 C ATOM 485 CD1 PHE A 64 78.247 68.100 57.507 1.00 59.40 C ATOM 486 CD2 PHE A 64 77.948 65.983 58.576 1.00 59.97 C ATOM 487 CE1 PHE A 64 78.210 67.486 56.260 1.00 59.49 C ATOM 488 CE2 PHE A 64 77.909 65.358 57.335 1.00 62.64 C ATOM 489 CZ PHE A 64 78.043 66.114 56.172 1.00 62.09 C ATOM 490 N LYS A 65 76.593 68.842 62.658 1.00 70.37 N ATOM 491 CA LYS A 65 76.648 69.212 64.061 1.00 75.16 C ATOM 492 C LYS A 65 77.628 68.310 64.777 1.00 77.41 C ATOM 493 O LYS A 65 78.098 67.320 64.221 1.00 75.97 O ATOM 494 CB LYS A 65 75.269 69.061 64.700 1.00 79.38 C ATOM 495 CG LYS A 65 74.243 70.087 64.255 1.00 82.84 C ATOM 496 CD LYS A 65 74.489 71.427 64.919 1.00 84.62 C ATOM 497 CE LYS A 65 73.271 72.329 64.801 1.00 86.22 C ATOM 498 NZ LYS A 65 73.360 73.481 65.744 1.00 87.81 N ATOM 499 N ASP A 66 77.925 68.658 66.021 1.00 81.38 N ATOM 500 CA ASP A 66 78.844 67.888 66.838 1.00 85.95 C ATOM 501 C ASP A 66 78.383 66.426 66.926 1.00 86.02 C ATOM 502 O ASP A 66 79.199 65.503 66.920 1.00 83.47 O ATOM 503 CB ASP A 66 78.913 68.526 68.233 1.00 92.23 C ATOM 504 CG ASP A 66 79.888 67.820 69.165 1.00100.66 C ATOM 505 OD1 ASP A 66 80.114 68.332 70.286 1.00102.89 O ATOM 506 OD2 ASP A 66 80.426 66.758 68.789 1.00106.03 O ATOM 507 N ASP A 67 77.066 66.232 66.973 1.00 88.41 N ATOM 508 CA ASP A 67 76.453 64.905 67.100 1.00 88.31 C ATOM 509 C ASP A 67 76.686 63.879 65.993 1.00 83.21 C ATOM 510 O ASP A 67 76.841 62.698 66.291 1.00 86.07 O ATOM 511 CB ASP A 67 74.940 65.046 67.334 1.00 96.30 C ATOM 512 CG ASP A 67 74.272 65.993 66.341 1.00104.47 C ATOM 513 OD1 ASP A 67 74.440 65.795 65.116 1.00108.42 O ATOM 514 OD2 ASP A 67 73.571 66.934 66.786 1.00105.94 O ATOM 515 N TYR A 68 76.696 64.315 64.735 1.00 74.76 N ATOM 516 CA TYR A 68 76.902 63.418 63.590 1.00 67.03 C ATOM 517 C TYR A 68 77.765 62.214 63.950 1.00 67.16 C ATOM 518 O TYR A 68 78.710 62.333 64.726 1.00 71.26 O ATOM 519 CB TYR A 68 77.567 64.179 62.450 1.00 58.69 C ATOM 520 CG TYR A 68 77.634 63.433 61.137 1.00 50.54 C ATOM 521 CD1 TYR A 68 76.509 63.293 60.331 1.00 47.09 C ATOM 522 CD2 TYR A 68 78.834 62.925 60.671 1.00 48.40 C ATOM 523 CE1 TYR A 68 76.584 62.675 59.090 1.00 43.87 C ATOM 524 CE2 TYR A 68 78.920 62.307 59.429 1.00 47.38 C ATOM 525 CZ TYR A 68 77.797 62.187 58.644 1.00 45.01 C ATOM 526 OH TYR A 68 77.900 61.594 57.406 1.00 44.02 O ATOM 527 N PRO A 69 77.464 61.038 63.380 1.00 65.29 N ATOM 528 CA PRO A 69 76.378 60.790 62.437 1.00 66.10 C ATOM 529 C PRO A 69 75.032 60.578 63.111 1.00 67.84 C ATOM 530 O PRO A 69 74.040 60.327 62.433 1.00 70.53 O ATOM 531 CB PRO A 69 76.854 59.544 61.708 1.00 65.54 C ATOM 532 CG PRO A 69 77.473 58.770 62.807 1.00 62.69 C ATOM 533 CD PRO A 69 78.280 59.823 63.549 1.00 63.61 C ATOM 534 N SER A 70 74.996 60.667 64.439 1.00 68.11 N ATOM 535 CA SER A 70 73.744 60.475 65.166 1.00 70.58 C ATOM 536 C SER A 70 72.631 61.219 64.452 1.00 73.96 C ATOM 537 O SER A 70 71.712 60.607 63.908 1.00 76.36 O ATOM 538 CB SER A 70 73.861 60.992 66.597 1.00 71.38 C ATOM 539 OG SER A 70 74.628 60.109 67.392 1.00 74.37 O ATOM 540 N SER A 71 72.722 62.544 64.457 1.00 74.48 N ATOM 541 CA SER A 71 71.735 63.378 63.787 1.00 74.02 C ATOM 542 C SER A 71 72.246 63.744 62.402 1.00 73.19 C ATOM 543 O SER A 71 73.420 64.054 62.229 1.00 75.68 O ATOM 544 CB SER A 71 71.479 64.651 64.582 1.00 76.52 C ATOM 545 OG SER A 71 70.746 65.574 63.796 1.00 80.12 O ATOM 546 N PRO A 72 71.362 63.737 61.402 1.00 71.90 N ATOM 547 CA PRO A 72 71.682 64.058 60.010 1.00 72.46 C ATOM 548 C PRO A 72 72.243 65.457 59.812 1.00 71.99 C ATOM 549 O PRO A 72 72.218 66.285 60.718 1.00 73.07 O ATOM 550 CB PRO A 72 70.344 63.892 59.316 1.00 73.82 C ATOM 551 CG PRO A 72 69.409 64.413 60.351 1.00 73.30 C ATOM 552 CD PRO A 72 69.905 63.698 61.590 1.00 72.87 C ATOM 553 N PRO A 73 72.759 65.734 58.611 1.00 71.80 N ATOM 554 CA PRO A 73 73.329 67.038 58.283 1.00 71.29 C ATOM 555 C PRO A 73 72.249 67.919 57.701 1.00 70.08 C ATOM 556 O PRO A 73 71.390 67.442 56.965 1.00 67.95 O ATOM 557 CB PRO A 73 74.391 66.711 57.229 1.00 73.73 C ATOM 558 CG PRO A 73 74.499 65.195 57.242 1.00 76.50 C ATOM 559 CD PRO A 73 73.118 64.754 57.581 1.00 74.23 C ATOM 560 N LYS A 74 72.293 69.202 58.030 1.00 71.66 N ATOM 561 CA LYS A 74 71.322 70.146 57.500 1.00 72.52 C ATOM 562 C LYS A 74 71.776 70.484 56.085 1.00 71.63 C ATOM 563 O LYS A 74 72.973 70.593 55.830 1.00 72.86 O ATOM 564 CB LYS A 74 71.290 71.406 58.363 1.00 72.67 C ATOM 565 CG LYS A 74 70.250 72.414 57.929 1.00 75.15 C ATOM 566 CD LYS A 74 70.099 73.517 58.956 1.00 78.83 C ATOM 567 CE LYS A 74 69.012 74.488 58.543 1.00 81.75 C ATOM 568 NZ LYS A 74 67.706 73.796 58.348 1.00 83.73 N ATOM 569 N CYS A 75 70.834 70.639 55.164 1.00 70.45 N ATOM 570 CA CYS A 75 71.197 70.955 53.789 1.00 73.38 C ATOM 571 C CYS A 75 70.427 72.136 53.225 1.00 76.25 C ATOM 572 O CYS A 75 69.204 72.205 53.347 1.00 80.21 O ATOM 573 CB CYS A 75 70.979 69.733 52.899 1.00 73.34 C ATOM 574 SG CYS A 75 71.972 68.306 53.375 1.00 80.55 S ATOM 575 N LYS A 76 71.148 73.065 52.602 1.00 75.96 N ATOM 576 CA LYS A 76 70.531 74.244 52.009 1.00 74.95 C ATOM 577 C LYS A 76 71.064 74.515 50.606 1.00 73.79 C ATOM 578 O LYS A 76 72.265 74.445 50.369 1.00 74.69 O ATOM 579 CB LYS A 76 70.766 75.473 52.899 1.00 75.48 C ATOM 580 CG LYS A 76 70.077 75.383 54.259 1.00 80.94 C ATOM 581 CD LYS A 76 69.991 76.732 54.981 1.00 84.35 C ATOM 582 CE LYS A 76 71.339 77.186 55.524 1.00 88.23 C ATOM 583 NZ LYS A 76 71.225 78.425 56.352 1.00 88.91 N ATOM 584 N PHE A 77 70.164 74.798 49.670 1.00 72.26 N ATOM 585 CA PHE A 77 70.578 75.111 48.310 1.00 72.38 C ATOM 586 C PHE A 77 71.002 76.576 48.282 1.00 76.04 C ATOM 587 O PHE A 77 70.293 77.446 48.794 1.00 77.50 O ATOM 588 CB PHE A 77 69.430 74.896 47.310 1.00 67.24 C ATOM 589 CG PHE A 77 69.279 73.470 46.846 1.00 65.32 C ATOM 590 CD1 PHE A 77 68.159 72.724 47.184 1.00 64.64 C ATOM 591 CD2 PHE A 77 70.266 72.867 46.075 1.00 64.52 C ATOM 592 CE1 PHE A 77 68.027 71.392 46.761 1.00 60.53 C ATOM 593 CE2 PHE A 77 70.140 71.540 45.652 1.00 60.61 C ATOM 594 CZ PHE A 77 69.017 70.804 45.998 1.00 56.99 C ATOM 595 N GLU A 78 72.171 76.843 47.708 1.00 77.70 N ATOM 596 CA GLU A 78 72.680 78.205 47.591 1.00 77.91 C ATOM 597 C GLU A 78 72.873 78.530 46.108 1.00 80.59 C ATOM 598 O GLU A 78 73.784 78.006 45.462 1.00 85.49 O ATOM 599 CB GLU A 78 74.011 78.349 48.342 1.00 75.57 C ATOM 600 CG GLU A 78 73.867 78.456 49.859 1.00 79.77 C ATOM 601 CD GLU A 78 75.203 78.626 50.588 1.00 82.08 C ATOM 602 OE1 GLU A 78 76.003 79.504 50.193 1.00 84.75 O ATOM 603 OE2 GLU A 78 75.452 77.889 51.567 1.00 79.51 O ATOM 604 N PRO A 79 72.003 79.383 45.541 1.00 77.84 N ATOM 605 CA PRO A 79 70.871 80.045 46.192 1.00 74.52 C ATOM 606 C PRO A 79 69.699 79.078 46.268 1.00 72.94 C ATOM 607 O PRO A 79 69.771 77.968 45.739 1.00 70.88 O ATOM 608 CB PRO A 79 70.585 81.200 45.253 1.00 76.12 C ATOM 609 CG PRO A 79 70.792 80.551 43.915 1.00 76.63 C ATOM 610 CD PRO A 79 72.076 79.764 44.117 1.00 76.29 C ATOM 611 N PRO A 80 68.607 79.482 46.935 1.00 72.22 N ATOM 612 CA PRO A 80 67.421 78.632 47.066 1.00 73.64 C ATOM 613 C PRO A 80 66.847 78.232 45.709 1.00 73.83 C ATOM 614 O PRO A 80 66.843 79.030 44.768 1.00 74.62 O ATOM 615 CB PRO A 80 66.469 79.504 47.874 1.00 72.85 C ATOM 616 CG PRO A 80 67.408 80.213 48.783 1.00 72.92 C ATOM 617 CD PRO A 80 68.507 80.644 47.832 1.00 72.40 C ATOM 618 N LEU A 81 66.370 76.993 45.620 1.00 71.65 N ATOM 619 CA LEU A 81 65.805 76.454 44.385 1.00 66.62 C ATOM 620 C LEU A 81 64.300 76.562 44.342 1.00 64.42 C ATOM 621 O LEU A 81 63.650 76.839 45.349 1.00 61.20 O ATOM 622 CB LEU A 81 66.167 74.976 44.223 1.00 65.05 C ATOM 623 CG LEU A 81 67.583 74.600 43.811 1.00 64.23 C ATOM 624 CD1 LEU A 81 67.750 73.093 43.812 1.00 61.54 C ATOM 625 CD2 LEU A 81 67.845 75.162 42.434 1.00 68.03 C ATOM 626 N PHE A 82 63.760 76.322 43.154 1.00 63.82 N ATOM 627 CA PHE A 82 62.330 76.345 42.923 1.00 65.09 C ATOM 628 C PHE A 82 61.894 74.892 42.877 1.00 64.79 C ATOM 629 O PHE A 82 61.955 74.248 41.833 1.00 65.70 O ATOM 630 CB PHE A 82 62.016 77.009 41.588 1.00 67.90 C ATOM 631 CG PHE A 82 60.587 76.852 41.153 1.00 71.64 C ATOM 632 CD1 PHE A 82 59.563 77.502 41.831 1.00 73.08 C ATOM 633 CD2 PHE A 82 60.265 76.057 40.052 1.00 73.45 C ATOM 634 CE1 PHE A 82 58.237 77.367 41.418 1.00 75.39 C ATOM 635 CE2 PHE A 82 58.946 75.914 39.633 1.00 75.10 C ATOM 636 CZ PHE A 82 57.930 76.571 40.317 1.00 75.82 C ATOM 637 N HIS A 83 61.458 74.370 44.011 1.00 62.13 N ATOM 638 CA HIS A 83 61.040 72.989 44.053 1.00 59.71 C ATOM 639 C HIS A 83 60.103 72.739 45.215 1.00 58.02 C ATOM 640 O HIS A 83 60.387 73.111 46.348 1.00 60.25 O ATOM 641 CB HIS A 83 62.266 72.087 44.159 1.00 62.39 C ATOM 642 CG HIS A 83 61.943 70.651 44.432 1.00 65.83 C ATOM 643 ND1 HIS A 83 61.502 70.209 45.661 1.00 63.75 N ATOM 644 CD2 HIS A 83 61.983 69.561 43.630 1.00 67.15 C ATOM 645 CE1 HIS A 83 61.285 68.908 45.604 1.00 65.97 C ATOM 646 NE2 HIS A 83 61.568 68.491 44.383 1.00 69.07 N ATOM 647 N PRO A 84 58.965 72.097 44.940 1.00 54.12 N ATOM 648 CA PRO A 84 57.940 71.763 45.923 1.00 51.79 C ATOM 649 C PRO A 84 58.408 71.374 47.329 1.00 53.99 C ATOM 650 O PRO A 84 57.742 71.705 48.305 1.00 54.24 O ATOM 651 CB PRO A 84 57.180 70.647 45.228 1.00 50.96 C ATOM 652 CG PRO A 84 57.162 71.137 43.814 1.00 52.09 C ATOM 653 CD PRO A 84 58.578 71.624 43.597 1.00 52.78 C ATOM 654 N ASN A 85 59.545 70.692 47.451 1.00 58.58 N ATOM 655 CA ASN A 85 60.017 70.275 48.779 1.00 65.63 C ATOM 656 C ASN A 85 61.275 70.980 49.321 1.00 68.83 C ATOM 657 O ASN A 85 62.038 70.403 50.112 1.00 66.86 O ATOM 658 CB ASN A 85 60.245 68.764 48.797 1.00 69.06 C ATOM 659 CG ASN A 85 59.092 67.995 48.187 1.00 72.17 C ATOM 660 OD1 ASN A 85 58.914 67.980 46.964 1.00 72.64 O ATOM 661 ND2 ASN A 85 58.295 67.355 49.035 1.00 72.59 N ATOM 662 N VAL A 86 61.473 72.229 48.907 1.00 71.37 N ATOM 663 CA VAL A 86 62.618 73.028 49.335 1.00 69.37 C ATOM 664 C VAL A 86 62.125 74.342 49.944 1.00 67.93 C ATOM 665 O VAL A 86 61.609 75.207 49.235 1.00 66.68 O ATOM 666 CB VAL A 86 63.549 73.336 48.134 1.00 69.10 C ATOM 667 CG1 VAL A 86 64.664 74.276 48.552 1.00 72.27 C ATOM 668 CG2 VAL A 86 64.133 72.046 47.591 1.00 66.06 C ATOM 669 N TYR A 87 62.276 74.482 51.258 1.00 67.39 N ATOM 670 CA TYR A 87 61.847 75.689 51.952 1.00 68.61 C ATOM 671 C TYR A 87 62.373 76.926 51.246 1.00 70.30 C ATOM 672 O TYR A 87 63.298 76.851 50.439 1.00 69.79 O ATOM 673 CB TYR A 87 62.361 75.691 53.386 1.00 71.74 C ATOM 674 CG TYR A 87 61.696 74.692 54.300 1.00 77.22 C ATOM 675 CD1 TYR A 87 60.464 74.963 54.897 1.00 77.58 C ATOM 676 CD2 TYR A 87 62.331 73.490 54.616 1.00 82.08 C ATOM 677 CE1 TYR A 87 59.886 74.060 55.800 1.00 81.70 C ATOM 678 CE2 TYR A 87 61.765 72.581 55.511 1.00 84.45 C ATOM 679 CZ TYR A 87 60.548 72.870 56.105 1.00 84.60 C ATOM 680 OH TYR A 87 60.035 71.982 57.031 1.00 83.89 O ATOM 681 N PRO A 88 61.786 78.088 51.547 1.00 72.60 N ATOM 682 CA PRO A 88 62.194 79.359 50.942 1.00 73.41 C ATOM 683 C PRO A 88 63.628 79.704 51.325 1.00 74.26 C ATOM 684 O PRO A 88 64.342 80.372 50.574 1.00 73.96 O ATOM 685 CB PRO A 88 61.189 80.349 51.518 1.00 74.97 C ATOM 686 CG PRO A 88 59.977 79.494 51.781 1.00 76.09 C ATOM 687 CD PRO A 88 60.593 78.272 52.389 1.00 74.16 C ATOM 688 N SER A 89 64.034 79.242 52.507 1.00 75.09 N ATOM 689 CA SER A 89 65.382 79.472 53.024 1.00 72.49 C ATOM 690 C SER A 89 66.374 78.647 52.220 1.00 70.30 C ATOM 691 O SER A 89 67.586 78.846 52.322 1.00 71.23 O ATOM 692 CB SER A 89 65.482 79.051 54.494 1.00 71.96 C ATOM 693 OG SER A 89 65.532 77.638 54.627 1.00 65.46 O ATOM 694 N GLY A 90 65.848 77.712 51.435 1.00 66.49 N ATOM 695 CA GLY A 90 66.695 76.857 50.626 1.00 62.30 C ATOM 696 C GLY A 90 66.958 75.514 51.283 1.00 58.19 C ATOM 697 O GLY A 90 67.692 74.686 50.746 1.00 57.62 O ATOM 698 N THR A 91 66.372 75.293 52.453 1.00 55.68 N ATOM 699 CA THR A 91 66.570 74.028 53.141 1.00 54.00 C ATOM 700 C THR A 91 65.847 72.958 52.355 1.00 55.79 C ATOM 701 O THR A 91 64.756 73.191 51.833 1.00 55.69 O ATOM 702 CB THR A 91 65.992 74.053 54.570 1.00 53.00 C ATOM 703 OG1 THR A 91 66.653 75.066 55.336 1.00 56.20 O ATOM 704 CG2 THR A 91 66.185 72.702 55.247 1.00 47.52 C ATOM 705 N VAL A 92 66.463 71.789 52.249 1.00 59.65 N ATOM 706 CA VAL A 92 65.841 70.685 51.540 1.00 61.89 C ATOM 707 C VAL A 92 65.218 69.798 52.594 1.00 66.56 C ATOM 708 O VAL A 92 65.920 69.302 53.475 1.00 67.29 O ATOM 709 CB VAL A 92 66.859 69.838 50.775 1.00 57.13 C ATOM 710 CG1 VAL A 92 66.141 68.780 49.978 1.00 51.82 C ATOM 711 CG2 VAL A 92 67.680 70.710 49.874 1.00 59.11 C ATOM 712 N CYS A 93 63.905 69.621 52.526 1.00 68.81 N ATOM 713 CA CYS A 93 63.231 68.760 53.481 1.00 71.19 C ATOM 714 C CYS A 93 63.067 67.421 52.769 1.00 68.32 C ATOM 715 O CYS A 93 62.420 67.336 51.722 1.00 69.33 O ATOM 716 CB CYS A 93 61.871 69.345 53.868 1.00 78.30 C ATOM 717 SG CYS A 93 61.094 68.513 55.289 1.00 94.34 S ATOM 718 N LEU A 94 63.672 66.379 53.328 1.00 63.70 N ATOM 719 CA LEU A 94 63.611 65.060 52.716 1.00 62.42 C ATOM 720 C LEU A 94 63.623 63.978 53.779 1.00 62.40 C ATOM 721 O LEU A 94 64.507 63.951 54.632 1.00 62.41 O ATOM 722 CB LEU A 94 64.804 64.889 51.776 1.00 61.79 C ATOM 723 CG LEU A 94 64.823 63.707 50.817 1.00 60.27 C ATOM 724 CD1 LEU A 94 65.865 63.957 49.749 1.00 60.85 C ATOM 725 CD2 LEU A 94 65.128 62.441 51.571 1.00 62.43 C ATOM 726 N SER A 95 62.639 63.085 53.713 1.00 62.20 N ATOM 727 CA SER A 95 62.506 61.999 54.681 1.00 63.24 C ATOM 728 C SER A 95 63.839 61.450 55.199 1.00 61.43 C ATOM 729 O SER A 95 64.066 61.398 56.411 1.00 58.68 O ATOM 730 CB SER A 95 61.664 60.868 54.075 1.00 64.61 C ATOM 731 OG SER A 95 62.221 60.379 52.870 1.00 69.88 O ATOM 732 N ILE A 96 64.706 61.055 54.270 1.00 61.76 N ATOM 733 CA ILE A 96 66.031 60.507 54.569 1.00 59.80 C ATOM 734 C ILE A 96 66.869 61.390 55.491 1.00 64.54 C ATOM 735 O ILE A 96 67.622 60.894 56.334 1.00 64.15 O ATOM 736 CB ILE A 96 66.820 60.275 53.256 1.00 52.83 C ATOM 737 CG1 ILE A 96 66.436 58.922 52.664 1.00 51.25 C ATOM 738 CG2 ILE A 96 68.308 60.394 53.496 1.00 48.43 C ATOM 739 CD1 ILE A 96 67.200 58.553 51.413 1.00 50.01 C ATOM 740 N LEU A 97 66.728 62.700 55.321 1.00 67.86 N ATOM 741 CA LEU A 97 67.473 63.675 56.103 1.00 67.68 C ATOM 742 C LEU A 97 66.868 64.018 57.461 1.00 70.77 C ATOM 743 O LEU A 97 67.447 64.808 58.196 1.00 72.56 O ATOM 744 CB LEU A 97 67.637 64.964 55.288 1.00 64.04 C ATOM 745 CG LEU A 97 68.490 64.884 54.016 1.00 63.79 C ATOM 746 CD1 LEU A 97 68.105 65.980 53.028 1.00 59.52 C ATOM 747 CD2 LEU A 97 69.958 64.984 54.402 1.00 64.79 C ATOM 748 N GLU A 98 65.723 63.440 57.814 1.00 73.58 N ATOM 749 CA GLU A 98 65.126 63.779 59.103 1.00 77.56 C ATOM 750 C GLU A 98 65.374 62.794 60.241 1.00 76.78 C ATOM 751 O GLU A 98 64.845 61.687 60.242 1.00 76.51 O ATOM 752 CB GLU A 98 63.629 64.014 58.954 1.00 83.96 C ATOM 753 CG GLU A 98 63.075 64.718 60.166 1.00 95.71 C ATOM 754 CD GLU A 98 64.027 65.801 60.658 1.00104.08 C ATOM 755 OE1 GLU A 98 64.188 66.825 59.952 1.00107.01 O ATOM 756 OE2 GLU A 98 64.632 65.618 61.741 1.00108.19 O ATOM 757 N GLU A 99 66.149 63.234 61.229 1.00 77.77 N ATOM 758 CA GLU A 99 66.528 62.412 62.376 1.00 81.93 C ATOM 759 C GLU A 99 65.499 61.439 62.908 1.00 85.45 C ATOM 760 O GLU A 99 65.795 60.260 63.086 1.00 88.10 O ATOM 761 CB GLU A 99 67.000 63.284 63.545 1.00 83.44 C ATOM 762 CG GLU A 99 67.560 62.460 64.713 1.00 84.88 C ATOM 763 CD GLU A 99 68.511 63.248 65.606 1.00 88.95 C ATOM 764 OE1 GLU A 99 69.322 62.618 66.323 1.00 88.02 O ATOM 765 OE2 GLU A 99 68.449 64.495 65.596 1.00 93.24 O ATOM 766 N ASP A 100 64.299 61.931 63.174 1.00 88.39 N ATOM 767 CA ASP A 100 63.242 61.094 63.721 1.00 89.27 C ATOM 768 C ASP A 100 62.395 60.375 62.680 1.00 88.13 C ATOM 769 O ASP A 100 61.265 59.989 62.967 1.00 87.48 O ATOM 770 CB ASP A 100 62.336 61.940 64.604 1.00 91.84 C ATOM 771 CG ASP A 100 61.891 63.205 63.913 1.00 95.12 C ATOM 772 OD1 ASP A 100 62.743 64.097 63.712 1.00 95.57 O ATOM 773 OD2 ASP A 100 60.697 63.300 63.556 1.00 97.89 O ATOM 774 N LYS A 101 62.922 60.190 61.477 1.00 88.78 N ATOM 775 CA LYS A 101 62.150 59.498 60.456 1.00 90.97 C ATOM 776 C LYS A 101 62.908 58.462 59.629 1.00 91.57 C ATOM 777 O LYS A 101 62.960 57.286 59.996 1.00 91.89 O ATOM 778 CB LYS A 101 61.459 60.517 59.544 1.00 91.13 C ATOM 779 CG LYS A 101 60.398 61.316 60.287 1.00 92.48 C ATOM 780 CD LYS A 101 59.538 62.166 59.371 1.00 93.63 C ATOM 781 CE LYS A 101 58.486 62.913 60.186 1.00 94.24 C ATOM 782 NZ LYS A 101 57.686 63.854 59.356 1.00 95.88 N ATOM 783 N ASP A 102 63.496 58.884 58.518 1.00 90.74 N ATOM 784 CA ASP A 102 64.212 57.943 57.671 1.00 91.90 C ATOM 785 C ASP A 102 65.726 57.978 57.827 1.00 89.70 C ATOM 786 O ASP A 102 66.440 57.191 57.201 1.00 92.29 O ATOM 787 CB ASP A 102 63.835 58.179 56.210 1.00 96.99 C ATOM 788 CG ASP A 102 62.352 57.983 55.955 1.00101.48 C ATOM 789 OD1 ASP A 102 61.948 57.981 54.768 1.00103.61 O ATOM 790 OD2 ASP A 102 61.596 57.834 56.943 1.00101.71 O ATOM 791 N TRP A 103 66.217 58.880 58.665 1.00 84.62 N ATOM 792 CA TRP A 103 67.650 58.986 58.867 1.00 79.52 C ATOM 793 C TRP A 103 68.211 57.880 59.730 1.00 75.66 C ATOM 794 O TRP A 103 67.703 57.593 60.811 1.00 74.23 O ATOM 795 CB TRP A 103 68.018 60.333 59.489 1.00 81.62 C ATOM 796 CG TRP A 103 69.434 60.363 59.964 1.00 82.01 C ATOM 797 CD1 TRP A 103 69.876 60.184 61.244 1.00 80.86 C ATOM 798 CD2 TRP A 103 70.602 60.484 59.149 1.00 82.53 C ATOM 799 NE1 TRP A 103 71.249 60.179 61.274 1.00 81.07 N ATOM 800 CE2 TRP A 103 71.721 60.361 60.001 1.00 82.70 C ATOM 801 CE3 TRP A 103 70.813 60.680 57.777 1.00 82.51 C ATOM 802 CZ2 TRP A 103 73.033 60.426 59.526 1.00 83.33 C ATOM 803 CZ3 TRP A 103 72.119 60.744 57.305 1.00 82.23 C ATOM 804 CH2 TRP A 103 73.211 60.616 58.179 1.00 83.48 C ATOM 805 N ARG A 104 69.276 57.271 59.234 1.00 73.51 N ATOM 806 CA ARG A 104 69.963 56.203 59.937 1.00 72.37 C ATOM 807 C ARG A 104 71.442 56.486 59.719 1.00 68.75 C ATOM 808 O ARG A 104 71.869 56.788 58.604 1.00 65.35 O ATOM 809 CB ARG A 104 69.587 54.843 59.350 1.00 74.96 C ATOM 810 CG ARG A 104 68.092 54.639 59.193 1.00 77.36 C ATOM 811 CD ARG A 104 67.818 53.569 58.155 1.00 83.95 C ATOM 812 NE ARG A 104 68.762 53.654 57.038 1.00 87.33 N ATOM 813 CZ ARG A 104 68.646 52.989 55.891 1.00 88.37 C ATOM 814 NH1 ARG A 104 67.614 52.175 55.682 1.00 89.69 N ATOM 815 NH2 ARG A 104 69.572 53.131 54.953 1.00 86.87 N ATOM 816 N PRO A 105 72.239 56.407 60.788 1.00 66.46 N ATOM 817 CA PRO A 105 73.681 56.651 60.771 1.00 67.63 C ATOM 818 C PRO A 105 74.427 56.027 59.591 1.00 69.65 C ATOM 819 O PRO A 105 75.346 56.627 59.032 1.00 71.88 O ATOM 820 CB PRO A 105 74.132 56.084 62.107 1.00 66.49 C ATOM 821 CG PRO A 105 72.968 56.383 62.980 1.00 66.18 C ATOM 822 CD PRO A 105 71.804 55.971 62.125 1.00 64.74 C ATOM 823 N ALA A 106 74.031 54.823 59.205 1.00 67.73 N ATOM 824 CA ALA A 106 74.695 54.158 58.100 1.00 65.29 C ATOM 825 C ALA A 106 74.595 54.932 56.788 1.00 61.19 C ATOM 826 O ALA A 106 75.195 54.543 55.794 1.00 63.26 O ATOM 827 CB ALA A 106 74.133 52.756 57.923 1.00 69.00 C ATOM 828 N ILE A 107 73.838 56.019 56.763 1.00 56.78 N ATOM 829 CA ILE A 107 73.747 56.771 55.526 1.00 57.79 C ATOM 830 C ILE A 107 74.943 57.704 55.398 1.00 62.14 C ATOM 831 O ILE A 107 75.357 58.351 56.366 1.00 62.63 O ATOM 832 CB ILE A 107 72.450 57.583 55.431 1.00 56.38 C ATOM 833 CG1 ILE A 107 71.248 56.647 55.583 1.00 54.72 C ATOM 834 CG2 ILE A 107 72.391 58.291 54.080 1.00 54.42 C ATOM 835 CD1 ILE A 107 69.893 57.300 55.370 1.00 51.53 C ATOM 836 N THR A 108 75.495 57.764 54.191 1.00 63.54 N ATOM 837 CA THR A 108 76.666 58.582 53.913 1.00 63.39 C ATOM 838 C THR A 108 76.337 59.791 53.055 1.00 64.68 C ATOM 839 O THR A 108 75.237 59.906 52.509 1.00 65.79 O ATOM 840 CB THR A 108 77.706 57.769 53.171 1.00 63.47 C ATOM 841 OG1 THR A 108 77.296 57.618 51.806 1.00 64.95 O ATOM 842 CG2 THR A 108 77.831 56.393 53.795 1.00 62.65 C ATOM 843 N ILE A 109 77.309 60.685 52.923 1.00 64.43 N ATOM 844 CA ILE A 109 77.119 61.884 52.127 1.00 64.94 C ATOM 845 C ILE A 109 76.862 61.523 50.672 1.00 65.16 C ATOM 846 O ILE A 109 76.066 62.178 50.003 1.00 68.27 O ATOM 847 CB ILE A 109 78.347 62.808 52.201 1.00 63.67 C ATOM 848 CG1 ILE A 109 78.634 63.164 53.660 1.00 61.97 C ATOM 849 CG2 ILE A 109 78.100 64.068 51.375 1.00 60.41 C ATOM 850 CD1 ILE A 109 79.853 64.028 53.851 1.00 59.97 C ATOM 851 N LYS A 110 77.528 60.487 50.176 1.00 62.04 N ATOM 852 CA LYS A 110 77.319 60.091 48.789 1.00 63.50 C ATOM 853 C LYS A 110 75.825 59.842 48.595 1.00 62.11 C ATOM 854 O LYS A 110 75.232 60.265 47.600 1.00 58.51 O ATOM 855 CB LYS A 110 78.102 58.811 48.455 1.00 66.72 C ATOM 856 CG LYS A 110 78.119 58.460 46.953 1.00 66.00 C ATOM 857 CD LYS A 110 78.272 56.955 46.704 1.00 66.85 C ATOM 858 CE LYS A 110 79.616 56.409 47.169 1.00 68.27 C ATOM 859 NZ LYS A 110 80.744 56.868 46.309 1.00 68.36 N ATOM 860 N GLN A 111 75.222 59.159 49.566 1.00 62.13 N ATOM 861 CA GLN A 111 73.802 58.838 49.521 1.00 62.06 C ATOM 862 C GLN A 111 72.940 60.093 49.531 1.00 59.64 C ATOM 863 O GLN A 111 72.152 60.316 48.606 1.00 58.25 O ATOM 864 CB GLN A 111 73.435 57.916 50.689 1.00 63.59 C ATOM 865 CG GLN A 111 73.979 56.502 50.506 1.00 71.76 C ATOM 866 CD GLN A 111 73.808 55.613 51.728 1.00 77.47 C ATOM 867 OE1 GLN A 111 74.298 55.925 52.816 1.00 78.86 O ATOM 868 NE2 GLN A 111 73.119 54.489 51.547 1.00 78.57 N ATOM 869 N ILE A 112 73.093 60.912 50.569 1.00 54.84 N ATOM 870 CA ILE A 112 72.329 62.149 50.669 1.00 52.30 C ATOM 871 C ILE A 112 72.305 62.886 49.326 1.00 54.09 C ATOM 872 O ILE A 112 71.252 63.021 48.701 1.00 55.01 O ATOM 873 CB ILE A 112 72.914 63.078 51.750 1.00 48.28 C ATOM 874 CG1 ILE A 112 72.499 62.574 53.128 1.00 47.88 C ATOM 875 CG2 ILE A 112 72.442 64.507 51.536 1.00 45.21 C ATOM 876 CD1 ILE A 112 72.934 63.475 54.263 1.00 50.92 C ATOM 877 N LEU A 113 73.466 63.354 48.883 1.00 53.46 N ATOM 878 CA LEU A 113 73.563 64.066 47.618 1.00 52.33 C ATOM 879 C LEU A 113 72.846 63.294 46.526 1.00 51.71 C ATOM 880 O LEU A 113 72.104 63.873 45.741 1.00 52.53 O ATOM 881 CB LEU A 113 75.025 64.253 47.225 1.00 55.67 C ATOM 882 CG LEU A 113 75.916 64.963 48.241 1.00 58.41 C ATOM 883 CD1 LEU A 113 77.294 65.131 47.639 1.00 60.23 C ATOM 884 CD2 LEU A 113 75.328 66.318 48.608 1.00 62.08 C ATOM 885 N LEU A 114 73.074 61.985 46.471 1.00 51.01 N ATOM 886 CA LEU A 114 72.419 61.155 45.468 1.00 51.95 C ATOM 887 C LEU A 114 70.910 61.186 45.680 1.00 53.32 C ATOM 888 O LEU A 114 70.143 61.314 44.719 1.00 52.39 O ATOM 889 CB LEU A 114 72.931 59.713 45.540 1.00 52.47 C ATOM 890 CG LEU A 114 74.207 59.415 44.743 1.00 52.78 C ATOM 891 CD1 LEU A 114 74.617 57.976 44.952 1.00 52.00 C ATOM 892 CD2 LEU A 114 73.973 59.688 43.261 1.00 50.15 C ATOM 893 N GLY A 115 70.491 61.064 46.940 1.00 52.44 N ATOM 894 CA GLY A 115 69.075 61.109 47.256 1.00 50.52 C ATOM 895 C GLY A 115 68.494 62.431 46.778 1.00 52.88 C ATOM 896 O GLY A 115 67.626 62.474 45.893 1.00 49.19 O ATOM 897 N ILE A 116 68.994 63.520 47.362 1.00 53.28 N ATOM 898 CA ILE A 116 68.552 64.863 47.008 1.00 50.31 C ATOM 899 C ILE A 116 68.406 65.010 45.502 1.00 53.58 C ATOM 900 O ILE A 116 67.474 65.648 45.020 1.00 55.12 O ATOM 901 CB ILE A 116 69.539 65.934 47.503 1.00 43.67 C ATOM 902 CG1 ILE A 116 69.636 65.883 49.028 1.00 42.64 C ATOM 903 CG2 ILE A 116 69.076 67.313 47.052 1.00 39.33 C ATOM 904 CD1 ILE A 116 70.580 66.907 49.629 1.00 41.95 C ATOM 905 N GLN A 117 69.324 64.419 44.750 1.00 56.43 N ATOM 906 CA GLN A 117 69.239 64.521 43.307 1.00 60.41 C ATOM 907 C GLN A 117 67.952 63.851 42.850 1.00 63.32 C ATOM 908 O GLN A 117 67.162 64.450 42.117 1.00 62.82 O ATOM 909 CB GLN A 117 70.438 63.854 42.628 1.00 61.93 C ATOM 910 CG GLN A 117 70.504 64.161 41.139 1.00 64.95 C ATOM 911 CD GLN A 117 71.081 63.021 40.322 1.00 68.29 C ATOM 912 OE1 GLN A 117 70.755 61.854 40.543 1.00 68.46 O ATOM 913 NE2 GLN A 117 71.926 63.357 39.358 1.00 70.78 N ATOM 914 N GLU A 118 67.728 62.616 43.289 1.00 66.92 N ATOM 915 CA GLU A 118 66.520 61.914 42.881 1.00 71.45 C ATOM 916 C GLU A 118 65.322 62.761 43.259 1.00 70.30 C ATOM 917 O GLU A 118 64.360 62.853 42.499 1.00 74.88 O ATOM 918 CB GLU A 118 66.399 60.544 43.553 1.00 77.80 C ATOM 919 CG GLU A 118 65.749 60.559 44.932 1.00 88.16 C ATOM 920 CD GLU A 118 65.176 59.202 45.335 1.00 96.46 C ATOM 921 OE1 GLU A 118 65.915 58.192 45.258 1.00 99.87 O ATOM 922 OE2 GLU A 118 63.988 59.147 45.735 1.00 99.29 O ATOM 923 N LEU A 119 65.394 63.390 44.430 1.00 62.62 N ATOM 924 CA LEU A 119 64.297 64.221 44.902 1.00 54.47 C ATOM 925 C LEU A 119 63.948 65.374 43.978 1.00 52.08 C ATOM 926 O LEU A 119 62.790 65.737 43.865 1.00 51.57 O ATOM 927 CB LEU A 119 64.596 64.771 46.293 1.00 49.15 C ATOM 928 CG LEU A 119 63.540 65.766 46.788 1.00 44.75 C ATOM 929 CD1 LEU A 119 62.151 65.174 46.621 1.00 45.44 C ATOM 930 CD2 LEU A 119 63.791 66.101 48.244 1.00 44.82 C ATOM 931 N LEU A 120 64.935 65.957 43.315 1.00 53.02 N ATOM 932 CA LEU A 120 64.643 67.071 42.425 1.00 56.28 C ATOM 933 C LEU A 120 63.445 66.786 41.539 1.00 58.23 C ATOM 934 O LEU A 120 62.591 67.653 41.338 1.00 58.48 O ATOM 935 CB LEU A 120 65.838 67.384 41.527 1.00 56.43 C ATOM 936 CG LEU A 120 67.114 67.920 42.164 1.00 54.55 C ATOM 937 CD1 LEU A 120 68.046 68.312 41.039 1.00 58.71 C ATOM 938 CD2 LEU A 120 66.830 69.118 43.047 1.00 51.50 C ATOM 939 N ASN A 121 63.374 65.566 41.016 1.00 59.01 N ATOM 940 CA ASN A 121 62.279 65.221 40.128 1.00 60.98 C ATOM 941 C ASN A 121 61.138 64.388 40.708 1.00 62.09 C ATOM 942 O ASN A 121 60.198 64.063 39.995 1.00 64.43 O ATOM 943 CB ASN A 121 62.814 64.531 38.880 1.00 60.81 C ATOM 944 CG ASN A 121 62.009 64.879 37.653 1.00 62.15 C ATOM 945 OD1 ASN A 121 62.097 64.212 36.629 1.00 64.00 O ATOM 946 ND2 ASN A 121 61.218 65.942 37.749 1.00 61.89 N ATOM 947 N GLU A 122 61.214 64.033 41.983 1.00 62.18 N ATOM 948 CA GLU A 122 60.142 63.270 42.614 1.00 64.91 C ATOM 949 C GLU A 122 59.601 64.110 43.759 1.00 65.36 C ATOM 950 O GLU A 122 59.755 63.764 44.934 1.00 66.20 O ATOM 951 CB GLU A 122 60.661 61.943 43.149 1.00 72.99 C ATOM 952 CG GLU A 122 61.070 60.956 42.078 1.00 85.38 C ATOM 953 CD GLU A 122 61.556 59.640 42.666 1.00 93.90 C ATOM 954 OE1 GLU A 122 60.763 58.966 43.370 1.00 94.89 O ATOM 955 OE2 GLU A 122 62.734 59.286 42.426 1.00 97.30 O ATOM 956 N PRO A 123 58.948 65.232 43.425 1.00 65.23 N ATOM 957 CA PRO A 123 58.381 66.146 44.418 1.00 65.82 C ATOM 958 C PRO A 123 57.229 65.500 45.162 1.00 66.68 C ATOM 959 O PRO A 123 56.486 64.707 44.592 1.00 71.69 O ATOM 960 CB PRO A 123 57.905 67.330 43.572 1.00 67.74 C ATOM 961 CG PRO A 123 58.558 67.123 42.208 1.00 67.26 C ATOM 962 CD PRO A 123 58.562 65.645 42.067 1.00 64.66 C ATOM 963 N ASN A 124 57.068 65.845 46.431 1.00 63.95 N ATOM 964 CA ASN A 124 55.978 65.289 47.215 1.00 63.65 C ATOM 965 C ASN A 124 54.920 66.359 47.459 1.00 64.83 C ATOM 966 O ASN A 124 54.674 66.747 48.602 1.00 65.56 O ATOM 967 CB ASN A 124 56.515 64.755 48.542 1.00 65.70 C ATOM 968 CG ASN A 124 55.427 64.171 49.416 1.00 67.76 C ATOM 969 OD1 ASN A 124 54.467 63.581 48.921 1.00 71.28 O ATOM 970 ND2 ASN A 124 55.580 64.317 50.728 1.00 69.08 N ATOM 971 N ILE A 125 54.304 66.833 46.375 1.00 65.99 N ATOM 972 CA ILE A 125 53.270 67.875 46.430 1.00 65.35 C ATOM 973 C ILE A 125 52.170 67.599 47.447 1.00 66.73 C ATOM 974 O ILE A 125 51.428 68.496 47.847 1.00 62.45 O ATOM 975 CB ILE A 125 52.633 68.081 45.048 1.00 61.85 C ATOM 976 CG1 ILE A 125 52.465 66.735 44.332 1.00 63.17 C ATOM 977 CG2 ILE A 125 53.509 68.996 44.229 1.00 58.04 C ATOM 978 CD1 ILE A 125 51.583 65.718 45.054 1.00 63.75 C ATOM 979 N GLN A 126 52.085 66.341 47.857 1.00 72.25 N ATOM 980 CA GLN A 126 51.116 65.890 48.839 1.00 76.50 C ATOM 981 C GLN A 126 51.534 66.439 50.210 1.00 76.41 C ATOM 982 O GLN A 126 50.998 66.057 51.247 1.00 77.29 O ATOM 983 CB GLN A 126 51.105 64.360 48.848 1.00 82.82 C ATOM 984 CG GLN A 126 50.060 63.739 49.742 1.00 93.23 C ATOM 985 CD GLN A 126 48.670 64.254 49.436 1.00 99.25 C ATOM 986 OE1 GLN A 126 48.269 64.342 48.270 1.00101.32 O ATOM 987 NE2 GLN A 126 47.922 64.591 50.484 1.00101.39 N ATOM 988 N ASP A 127 52.504 67.342 50.196 1.00 75.67 N ATOM 989 CA ASP A 127 53.017 67.952 51.413 1.00 75.45 C ATOM 990 C ASP A 127 54.145 68.908 51.040 1.00 71.82 C ATOM 991 O ASP A 127 55.323 68.578 51.159 1.00 69.05 O ATOM 992 CB ASP A 127 53.545 66.880 52.364 1.00 81.30 C ATOM 993 CG ASP A 127 54.248 67.470 53.573 1.00 90.64 C ATOM 994 OD1 ASP A 127 54.814 66.693 54.372 1.00 95.21 O ATOM 995 OD2 ASP A 127 54.237 68.714 53.727 1.00 95.17 O ATOM 996 N PRO A 128 53.792 70.111 50.574 1.00 69.28 N ATOM 997 CA PRO A 128 54.799 71.099 50.185 1.00 66.82 C ATOM 998 C PRO A 128 55.481 71.840 51.332 1.00 65.51 C ATOM 999 O PRO A 128 55.004 71.839 52.475 1.00 62.41 O ATOM 1000 CB PRO A 128 54.019 72.034 49.266 1.00 65.77 C ATOM 1001 CG PRO A 128 52.651 71.993 49.844 1.00 66.75 C ATOM 1002 CD PRO A 128 52.451 70.526 50.127 1.00 68.85 C ATOM 1003 N ALA A 129 56.609 72.466 50.990 1.00 63.75 N ATOM 1004 CA ALA A 129 57.416 73.236 51.922 1.00 62.18 C ATOM 1005 C ALA A 129 57.556 74.672 51.433 1.00 63.91 C ATOM 1006 O ALA A 129 58.250 75.479 52.046 1.00 64.97 O ATOM 1007 CB ALA A 129 58.776 72.607 52.061 1.00 62.05 C ATOM 1008 N GLN A 130 56.903 74.981 50.316 1.00 67.02 N ATOM 1009 CA GLN A 130 56.931 76.330 49.753 1.00 69.45 C ATOM 1010 C GLN A 130 55.720 76.585 48.859 1.00 70.30 C ATOM 1011 O GLN A 130 55.509 75.900 47.858 1.00 67.83 O ATOM 1012 CB GLN A 130 58.212 76.559 48.952 1.00 68.83 C ATOM 1013 CG GLN A 130 58.395 75.611 47.805 1.00 72.00 C ATOM 1014 CD GLN A 130 59.274 76.189 46.724 1.00 77.30 C ATOM 1015 OE1 GLN A 130 58.900 77.156 46.054 1.00 79.53 O ATOM 1016 NE2 GLN A 130 60.454 75.607 46.546 1.00 80.41 N ATOM 1017 N ALA A 131 54.925 77.581 49.233 1.00 72.21 N ATOM 1018 CA ALA A 131 53.731 77.928 48.479 1.00 74.41 C ATOM 1019 C ALA A 131 54.061 78.166 47.014 1.00 74.70 C ATOM 1020 O ALA A 131 53.428 77.605 46.124 1.00 73.44 O ATOM 1021 CB ALA A 131 53.091 79.168 49.077 1.00 76.88 C ATOM 1022 N GLU A 132 55.056 79.010 46.781 1.00 75.98 N ATOM 1023 CA GLU A 132 55.497 79.347 45.439 1.00 79.33 C ATOM 1024 C GLU A 132 55.352 78.199 44.433 1.00 76.48 C ATOM 1025 O GLU A 132 54.539 78.281 43.509 1.00 74.73 O ATOM 1026 CB GLU A 132 56.956 79.821 45.498 1.00 90.00 C ATOM 1027 CG GLU A 132 57.640 80.065 44.145 1.00103.50 C ATOM 1028 CD GLU A 132 57.058 81.242 43.367 1.00110.47 C ATOM 1029 OE1 GLU A 132 56.998 82.359 43.929 1.00114.86 O ATOM 1030 OE2 GLU A 132 56.671 81.051 42.190 1.00112.07 O ATOM 1031 N ALA A 133 56.123 77.130 44.627 1.00 73.60 N ATOM 1032 CA ALA A 133 56.117 75.980 43.716 1.00 72.62 C ATOM 1033 C ALA A 133 54.886 75.071 43.751 1.00 73.59 C ATOM 1034 O ALA A 133 54.402 74.638 42.701 1.00 72.53 O ATOM 1035 CB ALA A 133 57.379 75.145 43.937 1.00 69.93 C ATOM 1036 N TYR A 134 54.390 74.767 44.949 1.00 73.57 N ATOM 1037 CA TYR A 134 53.217 73.907 45.086 1.00 72.05 C ATOM 1038 C TYR A 134 52.082 74.426 44.228 1.00 73.03 C ATOM 1039 O TYR A 134 51.365 73.657 43.590 1.00 69.56 O ATOM 1040 CB TYR A 134 52.740 73.857 46.535 1.00 71.65 C ATOM 1041 CG TYR A 134 51.399 73.174 46.683 1.00 72.71 C ATOM 1042 CD1 TYR A 134 51.245 71.821 46.388 1.00 74.27 C ATOM 1043 CD2 TYR A 134 50.280 73.882 47.099 1.00 73.13 C ATOM 1044 CE1 TYR A 134 50.015 71.194 46.503 1.00 73.68 C ATOM 1045 CE2 TYR A 134 49.046 73.264 47.219 1.00 75.19 C ATOM 1046 CZ TYR A 134 48.918 71.922 46.918 1.00 75.06 C ATOM 1047 OH TYR A 134 47.691 71.312 47.029 1.00 77.87 O ATOM 1048 N THR A 135 51.926 75.745 44.243 1.00 77.30 N ATOM 1049 CA THR A 135 50.889 76.424 43.479 1.00 78.62 C ATOM 1050 C THR A 135 51.041 76.107 42.005 1.00 75.98 C ATOM 1051 O THR A 135 50.193 75.444 41.409 1.00 75.25 O ATOM 1052 CB THR A 135 50.982 77.958 43.642 1.00 82.04 C ATOM 1053 OG1 THR A 135 50.915 78.299 45.035 1.00 83.97 O ATOM 1054 CG2 THR A 135 49.841 78.648 42.882 1.00 83.02 C ATOM 1055 N ILE A 136 52.139 76.582 41.428 1.00 73.16 N ATOM 1056 CA ILE A 136 52.406 76.373 40.019 1.00 71.81 C ATOM 1057 C ILE A 136 52.312 74.913 39.624 1.00 69.68 C ATOM 1058 O ILE A 136 51.785 74.587 38.565 1.00 68.04 O ATOM 1059 CB ILE A 136 53.784 76.897 39.644 1.00 73.64 C ATOM 1060 CG1 ILE A 136 53.966 78.298 40.222 1.00 76.90 C ATOM 1061 CG2 ILE A 136 53.915 76.960 38.131 1.00 73.97 C ATOM 1062 CD1 ILE A 136 52.915 79.286 39.741 1.00 82.26 C ATOM 1063 N TYR A 137 52.812 74.031 40.477 1.00 69.77 N ATOM 1064 CA TYR A 137 52.759 72.610 40.173 1.00 73.26 C ATOM 1065 C TYR A 137 51.325 72.171 39.906 1.00 76.80 C ATOM 1066 O TYR A 137 51.036 71.533 38.889 1.00 79.06 O ATOM 1067 CB TYR A 137 53.307 71.794 41.333 1.00 71.09 C ATOM 1068 CG TYR A 137 53.518 70.335 41.001 1.00 69.53 C ATOM 1069 CD1 TYR A 137 54.739 69.887 40.508 1.00 69.72 C ATOM 1070 CD2 TYR A 137 52.519 69.394 41.229 1.00 68.76 C ATOM 1071 CE1 TYR A 137 54.965 68.545 40.266 1.00 70.26 C ATOM 1072 CE2 TYR A 137 52.737 68.046 40.988 1.00 69.14 C ATOM 1073 CZ TYR A 137 53.963 67.631 40.514 1.00 70.00 C ATOM 1074 OH TYR A 137 54.217 66.297 40.340 1.00 72.84 O ATOM 1075 N CYS A 138 50.433 72.512 40.834 1.00 77.73 N ATOM 1076 CA CYS A 138 49.024 72.153 40.725 1.00 76.38 C ATOM 1077 C CYS A 138 48.335 73.021 39.680 1.00 76.96 C ATOM 1078 O CYS A 138 47.693 72.509 38.769 1.00 76.94 O ATOM 1079 CB CYS A 138 48.336 72.316 42.087 1.00 76.26 C ATOM 1080 SG CYS A 138 49.117 71.401 43.467 1.00 72.43 S ATOM 1081 N GLN A 139 48.480 74.335 39.822 1.00 79.58 N ATOM 1082 CA GLN A 139 47.896 75.307 38.895 1.00 83.59 C ATOM 1083 C GLN A 139 48.067 74.865 37.442 1.00 83.11 C ATOM 1084 O GLN A 139 47.102 74.799 36.682 1.00 81.93 O ATOM 1085 CB GLN A 139 48.559 76.673 39.120 1.00 89.32 C ATOM 1086 CG GLN A 139 48.296 77.738 38.056 1.00 95.62 C ATOM 1087 CD GLN A 139 49.079 79.035 38.312 1.00100.47 C ATOM 1088 OE1 GLN A 139 49.068 79.956 37.488 1.00102.39 O ATOM 1089 NE2 GLN A 139 49.756 79.109 39.461 1.00100.33 N ATOM 1090 N ASN A 140 49.302 74.565 37.061 1.00 84.65 N ATOM 1091 CA ASN A 140 49.604 74.117 35.707 1.00 87.96 C ATOM 1092 C ASN A 140 50.914 73.347 35.711 1.00 85.86 C ATOM 1093 O ASN A 140 51.901 73.783 36.293 1.00 86.10 O ATOM 1094 CB ASN A 140 49.714 75.304 34.741 1.00 92.77 C ATOM 1095 CG ASN A 140 50.144 74.878 33.339 1.00 96.44 C ATOM 1096 OD1 ASN A 140 49.515 74.018 32.714 1.00 96.92 O ATOM 1097 ND2 ASN A 140 51.221 75.478 32.842 1.00 96.08 N ATOM 1098 N ARG A 141 50.921 72.199 35.048 1.00 83.02 N ATOM 1099 CA ARG A 141 52.115 71.380 35.000 1.00 79.79 C ATOM 1100 C ARG A 141 53.067 71.838 33.900 1.00 77.68 C ATOM 1101 O ARG A 141 54.260 71.990 34.132 1.00 77.31 O ATOM 1102 CB ARG A 141 51.726 69.919 34.786 1.00 79.62 C ATOM 1103 CG ARG A 141 52.618 68.944 35.506 1.00 78.76 C ATOM 1104 CD ARG A 141 52.566 69.165 37.013 1.00 79.70 C ATOM 1105 NE ARG A 141 53.188 68.046 37.703 1.00 80.41 N ATOM 1106 CZ ARG A 141 52.795 66.789 37.543 1.00 83.17 C ATOM 1107 NH1 ARG A 141 53.400 65.807 38.189 1.00 83.91 N ATOM 1108 NH2 ARG A 141 51.781 66.515 36.734 1.00 85.56 N ATOM 1109 N VAL A 142 52.539 72.067 32.704 1.00 76.13 N ATOM 1110 CA VAL A 142 53.374 72.492 31.589 1.00 73.27 C ATOM 1111 C VAL A 142 54.247 73.656 32.000 1.00 72.78 C ATOM 1112 O VAL A 142 55.376 73.783 31.532 1.00 72.33 O ATOM 1113 CB VAL A 142 52.546 72.943 30.376 1.00 72.28 C ATOM 1114 CG1 VAL A 142 53.470 73.210 29.203 1.00 69.37 C ATOM 1115 CG2 VAL A 142 51.527 71.888 30.011 1.00 73.15 C ATOM 1116 N GLU A 143 53.726 74.505 32.877 1.00 72.27 N ATOM 1117 CA GLU A 143 54.495 75.652 33.318 1.00 77.29 C ATOM 1118 C GLU A 143 55.565 75.242 34.319 1.00 76.99 C ATOM 1119 O GLU A 143 56.718 75.648 34.191 1.00 77.39 O ATOM 1120 CB GLU A 143 53.591 76.710 33.941 1.00 85.70 C ATOM 1121 CG GLU A 143 54.298 78.048 34.199 1.00 97.04 C ATOM 1122 CD GLU A 143 54.501 78.884 32.935 1.00101.99 C ATOM 1123 OE1 GLU A 143 55.055 78.367 31.938 1.00104.56 O ATOM 1124 OE2 GLU A 143 54.108 80.071 32.942 1.00104.71 O ATOM 1125 N TYR A 144 55.189 74.444 35.315 1.00 78.29 N ATOM 1126 CA TYR A 144 56.154 73.995 36.319 1.00 78.26 C ATOM 1127 C TYR A 144 57.396 73.421 35.642 1.00 80.23 C ATOM 1128 O TYR A 144 58.513 73.645 36.102 1.00 82.47 O ATOM 1129 CB TYR A 144 55.542 72.934 37.234 1.00 73.59 C ATOM 1130 CG TYR A 144 56.548 72.267 38.142 1.00 70.51 C ATOM 1131 CD1 TYR A 144 56.979 72.881 39.315 1.00 72.10 C ATOM 1132 CD2 TYR A 144 57.077 71.020 37.823 1.00 70.76 C ATOM 1133 CE1 TYR A 144 57.914 72.262 40.157 1.00 72.68 C ATOM 1134 CE2 TYR A 144 58.010 70.393 38.647 1.00 72.18 C ATOM 1135 CZ TYR A 144 58.424 71.016 39.814 1.00 72.94 C ATOM 1136 OH TYR A 144 59.339 70.389 40.629 1.00 74.02 O ATOM 1137 N GLU A 145 57.204 72.668 34.561 1.00 79.87 N ATOM 1138 CA GLU A 145 58.341 72.111 33.849 1.00 80.80 C ATOM 1139 C GLU A 145 59.048 73.274 33.188 1.00 79.65 C ATOM 1140 O GLU A 145 60.250 73.448 33.352 1.00 81.43 O ATOM 1141 CB GLU A 145 57.906 71.110 32.777 1.00 87.30 C ATOM 1142 CG GLU A 145 57.544 69.729 33.311 1.00 97.21 C ATOM 1143 CD GLU A 145 57.719 68.623 32.270 1.00103.02 C ATOM 1144 OE1 GLU A 145 57.111 68.711 31.177 1.00105.16 O ATOM 1145 OE2 GLU A 145 58.468 67.661 32.551 1.00104.98 O ATOM 1146 N LYS A 146 58.292 74.082 32.455 1.00 78.62 N ATOM 1147 CA LYS A 146 58.857 75.237 31.767 1.00 79.02 C ATOM 1148 C LYS A 146 59.683 76.097 32.722 1.00 75.47 C ATOM 1149 O LYS A 146 60.722 76.629 32.342 1.00 73.44 O ATOM 1150 CB LYS A 146 57.737 76.068 31.139 1.00 82.64 C ATOM 1151 CG LYS A 146 58.198 77.108 30.128 1.00 85.45 C ATOM 1152 CD LYS A 146 56.996 77.833 29.537 1.00 89.30 C ATOM 1153 CE LYS A 146 57.399 78.880 28.516 1.00 92.77 C ATOM 1154 NZ LYS A 146 56.199 79.558 27.947 1.00 95.49 N ATOM 1155 N ARG A 147 59.222 76.234 33.958 1.00 75.76 N ATOM 1156 CA ARG A 147 59.952 77.012 34.954 1.00 80.34 C ATOM 1157 C ARG A 147 61.247 76.275 35.303 1.00 80.70 C ATOM 1158 O ARG A 147 62.298 76.892 35.482 1.00 80.57 O ATOM 1159 CB ARG A 147 59.113 77.191 36.229 1.00 85.47 C ATOM 1160 CG ARG A 147 57.884 78.098 36.099 1.00 88.80 C ATOM 1161 CD ARG A 147 58.260 79.578 36.081 1.00 90.91 C ATOM 1162 NE ARG A 147 58.855 80.039 37.338 1.00 92.20 N ATOM 1163 CZ ARG A 147 58.182 80.236 38.469 1.00 91.79 C ATOM 1164 NH1 ARG A 147 56.875 80.013 38.518 1.00 91.20 N ATOM 1165 NH2 ARG A 147 58.818 80.664 39.554 1.00 90.06 N ATOM 1166 N VAL A 148 61.159 74.949 35.398 1.00 81.61 N ATOM 1167 CA VAL A 148 62.310 74.108 35.726 1.00 83.05 C ATOM 1168 C VAL A 148 63.375 74.163 34.634 1.00 83.81 C ATOM 1169 O VAL A 148 64.526 74.513 34.904 1.00 84.67 O ATOM 1170 CB VAL A 148 61.887 72.629 35.944 1.00 82.46 C ATOM 1171 CG1 VAL A 148 63.117 71.747 36.135 1.00 82.81 C ATOM 1172 CG2 VAL A 148 60.986 72.524 37.162 1.00 80.99 C ATOM 1173 N ARG A 149 62.988 73.808 33.408 1.00 83.68 N ATOM 1174 CA ARG A 149 63.901 73.827 32.264 1.00 81.56 C ATOM 1175 C ARG A 149 64.749 75.094 32.381 1.00 78.94 C ATOM 1176 O ARG A 149 65.957 75.082 32.141 1.00 77.86 O ATOM 1177 CB ARG A 149 63.114 73.877 30.941 1.00 83.44 C ATOM 1178 CG ARG A 149 62.017 72.823 30.755 1.00 83.48 C ATOM 1179 CD ARG A 149 62.572 71.435 30.510 1.00 88.33 C ATOM 1180 NE ARG A 149 61.498 70.470 30.288 1.00 95.20 N ATOM 1181 CZ ARG A 149 61.681 69.166 30.091 1.00 98.99 C ATOM 1182 NH1 ARG A 149 62.905 68.653 30.085 1.00 99.71 N ATOM 1183 NH2 ARG A 149 60.634 68.369 29.908 1.00 99.64 N ATOM 1184 N ALA A 150 64.088 76.184 32.759 1.00 76.03 N ATOM 1185 CA ALA A 150 64.730 77.475 32.928 1.00 74.05 C ATOM 1186 C ALA A 150 65.740 77.447 34.062 1.00 74.39 C ATOM 1187 O ALA A 150 66.938 77.601 33.835 1.00 75.56 O ATOM 1188 CB ALA A 150 63.689 78.523 33.204 1.00 74.91 C ATOM 1189 N GLN A 151 65.253 77.252 35.284 1.00 75.00 N ATOM 1190 CA GLN A 151 66.121 77.215 36.460 1.00 76.66 C ATOM 1191 C GLN A 151 67.353 76.356 36.227 1.00 77.96 C ATOM 1192 O GLN A 151 68.425 76.636 36.759 1.00 77.65 O ATOM 1193 CB GLN A 151 65.368 76.668 37.671 1.00 75.35 C ATOM 1194 CG GLN A 151 66.040 76.994 38.994 1.00 73.89 C ATOM 1195 CD GLN A 151 65.322 76.379 40.173 1.00 74.13 C ATOM 1196 OE1 GLN A 151 65.387 76.888 41.296 1.00 72.23 O ATOM 1197 NE2 GLN A 151 64.640 75.267 39.929 1.00 75.61 N ATOM 1198 N ALA A 152 67.188 75.304 35.433 1.00 80.30 N ATOM 1199 CA ALA A 152 68.282 74.397 35.121 1.00 82.41 C ATOM 1200 C ALA A 152 69.310 75.077 34.229 1.00 84.50 C ATOM 1201 O ALA A 152 70.503 75.054 34.525 1.00 86.08 O ATOM 1202 CB ALA A 152 67.747 73.152 34.438 1.00 85.15 C ATOM 1203 N LYS A 153 68.851 75.677 33.135 1.00 85.62 N ATOM 1204 CA LYS A 153 69.762 76.360 32.228 1.00 85.43 C ATOM 1205 C LYS A 153 70.521 77.432 33.011 1.00 83.11 C ATOM 1206 O LYS A 153 71.745 77.518 32.930 1.00 83.77 O ATOM 1207 CB LYS A 153 68.995 76.999 31.068 1.00 87.40 C ATOM 1208 CG LYS A 153 69.871 77.275 29.851 1.00 91.35 C ATOM 1209 CD LYS A 153 69.123 78.002 28.740 1.00 93.66 C ATOM 1210 CE LYS A 153 68.802 79.438 29.132 1.00 95.61 C ATOM 1211 NZ LYS A 153 68.226 80.222 28.001 1.00 95.55 N ATOM 1212 N LYS A 154 69.787 78.231 33.782 1.00 79.34 N ATOM 1213 CA LYS A 154 70.374 79.289 34.600 1.00 77.96 C ATOM 1214 C LYS A 154 71.525 78.799 35.475 1.00 78.77 C ATOM 1215 O LYS A 154 72.370 79.586 35.897 1.00 79.56 O ATOM 1216 CB LYS A 154 69.311 79.908 35.504 1.00 78.03 C ATOM 1217 CG LYS A 154 69.873 80.862 36.552 1.00 80.08 C ATOM 1218 CD LYS A 154 68.790 81.347 37.504 1.00 84.28 C ATOM 1219 CE LYS A 154 69.366 82.230 38.603 1.00 85.60 C ATOM 1220 NZ LYS A 154 68.339 82.591 39.623 1.00 87.23 N ATOM 1221 N PHE A 155 71.548 77.504 35.763 1.00 79.03 N ATOM 1222 CA PHE A 155 72.602 76.938 36.592 1.00 78.45 C ATOM 1223 C PHE A 155 73.398 75.878 35.847 1.00 79.10 C ATOM 1224 O PHE A 155 73.861 74.908 36.448 1.00 77.28 O ATOM 1225 CB PHE A 155 72.015 76.333 37.872 1.00 78.94 C ATOM 1226 CG PHE A 155 71.535 77.352 38.859 1.00 78.84 C ATOM 1227 CD1 PHE A 155 70.435 78.144 38.580 1.00 80.47 C ATOM 1228 CD2 PHE A 155 72.202 77.534 40.062 1.00 81.40 C ATOM 1229 CE1 PHE A 155 70.006 79.104 39.486 1.00 83.74 C ATOM 1230 CE2 PHE A 155 71.781 78.494 40.976 1.00 83.42 C ATOM 1231 CZ PHE A 155 70.682 79.281 40.688 1.00 83.66 C ATOM 1232 N ALA A 156 73.555 76.070 34.541 1.00 81.94 N ATOM 1233 CA ALA A 156 74.308 75.132 33.710 1.00 86.52 C ATOM 1234 C ALA A 156 75.793 75.500 33.710 1.00 91.09 C ATOM 1235 O ALA A 156 76.153 76.671 33.588 1.00 92.61 O ATOM 1236 CB ALA A 156 73.762 75.144 32.284 1.00 83.54 C ATOM 1237 N PRO A 157 76.677 74.504 33.869 1.00 94.60 N ATOM 1238 CA PRO A 157 78.107 74.815 33.872 1.00 97.84 C ATOM 1239 C PRO A 157 78.597 75.077 32.452 1.00102.77 C ATOM 1240 O PRO A 157 77.943 74.579 31.504 1.00103.29 O ATOM 1241 CB PRO A 157 78.734 73.552 34.461 1.00 95.35 C ATOM 1242 CG PRO A 157 77.633 72.955 35.271 1.00 94.95 C ATOM 1243 CD PRO A 157 76.451 73.139 34.363 1.00 95.72 C TER 3864 SER D2693 HETATM 3865 O HOH A 159 48.882 66.564 34.937 1.00 41.05 O HETATM 3866 O HOH A 160 80.596 77.237 59.413 1.00 39.10 O HETATM 3867 O HOH A 161 47.153 68.991 43.369 1.00 43.66 O HETATM 3868 O HOH A 162 60.153 83.367 45.865 1.00 54.16 O HETATM 3869 O HOH A 163 58.007 67.730 35.388 1.00 56.66 O HETATM 3870 O HOH A 164 90.335 64.190 62.920 1.00 49.48 O HETATM 3871 O HOH A 165 63.720 82.585 45.445 1.00 64.13 O CONECT 1952 1951 1953 2753 CONECT 2753 1952 2752 END