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*** UBIQUITIN 17-APR-92 1AAR ***elNémo ID: 2405231924023010811Job options:ID = 2405231924023010811 JOBID = UBIQUITIN 17-APR-92 1AAR USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER UBIQUITIN 17-APR-92 1AAR TITLE STRUCTURE OF A DIUBIQUITIN CONJUGATE AND A MODEL FOR TITLE 2 INTERACTION WITH UBIQUITIN CONJUGATING ENZYME (E2) COMPND MOL_ID: 1; COMPND 2 MOLECULE: DI-UBIQUITIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913 KEYWDS UBIQUITIN EXPDTA X-RAY DIFFRACTION AUTHOR W.J.COOK,L.C.JEFFREY,M.CARSON,Z.CHEN,C.M.PICKART REVDAT 2 24-FEB-09 1AAR 1 VERSN REVDAT 1 31-OCT-93 1AAR 0 JRNL AUTH W.J.COOK,L.C.JEFFREY,M.CARSON,Z.CHEN,C.M.PICKART JRNL TITL STRUCTURE OF A DIUBIQUITIN CONJUGATE AND A MODEL JRNL TITL 2 FOR INTERACTION WITH UBIQUITIN CONJUGATING ENZYME JRNL TITL 3 (E2). JRNL REF J.BIOL.CHEM. V. 267 16467 1992 JRNL REFN ISSN 0021-9258 JRNL PMID 1322903 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.30 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.30 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : NULL REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : 0.190 REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1203 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 15 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.020 REMARK 3 BOND ANGLES (DEGREES) : 4.00 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL 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 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1AAR COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : NULL REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 34.12 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.87 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1480 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 7950 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -8.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OE1 GLN B 2 OE2 GLU B 64 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 42 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 GLU A 51 OE1 - CD - OE2 ANGL. DEV. = 7.9 DEGREES REMARK 500 ASP A 52 CB - CG - OD1 ANGL. DEV. = 6.0 DEGREES REMARK 500 ARG A 54 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES REMARK 500 ARG A 54 NE - CZ - NH2 ANGL. DEV. = -4.2 DEGREES REMARK 500 LEU B 15 CA - CB - CG ANGL. DEV. = 17.3 DEGREES REMARK 500 LYS B 33 CA - CB - CG ANGL. DEV. = 17.9 DEGREES REMARK 500 ARG B 72 N - CA - CB ANGL. DEV. = 19.7 DEGREES REMARK 500 ARG B 72 CD - NE - CZ ANGL. DEV. = 10.1 DEGREES REMARK 500 ARG B 72 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG B 74 -65.02 -138.04 REMARK 500 REMARK 500 REMARK: NULL DBREF 1AAR A 1 76 UNP P62990 UBIQ_BOVIN 1 76 DBREF 1AAR B 1 76 UNP P62990 UBIQ_BOVIN 1 76 SEQRES 1 A 76 MET GLN ILE PHE VAL LYS THR LEU THR GLY LYS THR ILE SEQRES 2 A 76 THR LEU GLU VAL GLU PRO SER ASP THR ILE GLU ASN VAL SEQRES 3 A 76 LYS ALA LYS ILE GLN ASP LYS GLU GLY ILE PRO PRO ASP SEQRES 4 A 76 GLN GLN ARG LEU ILE PHE ALA GLY LYS GLN LEU GLU ASP SEQRES 5 A 76 GLY ARG THR LEU SER ASP TYR ASN ILE GLN LYS GLU SER SEQRES 6 A 76 THR LEU HIS LEU VAL LEU ARG LEU ARG GLY GLY SEQRES 1 B 76 MET GLN ILE PHE VAL LYS THR LEU THR GLY LYS THR ILE SEQRES 2 B 76 THR LEU GLU VAL GLU PRO SER ASP THR ILE GLU ASN VAL SEQRES 3 B 76 LYS ALA LYS ILE GLN ASP LYS GLU GLY ILE PRO PRO ASP SEQRES 4 B 76 GLN GLN ARG LEU ILE PHE ALA GLY LYS GLN LEU GLU ASP SEQRES 5 B 76 GLY ARG THR LEU SER ASP TYR ASN ILE GLN LYS GLU SER SEQRES 6 B 76 THR LEU HIS LEU VAL LEU ARG LEU ARG GLY GLY FORMUL 3 HOH *15(H2 O) HELIX 1 A ILE A 23 GLU A 34 1 12 HELIX 2 B LEU A 56 TYR A 59 5 4 HELIX 3 C ILE B 23 GLU B 34 1 12 HELIX 4 D LEU B 56 TYR B 59 5 4 SHEET 1 A 5 MET A 1 THR A 7 0 SHEET 2 A 5 LYS A 11 VAL A 17 -1 SHEET 3 A 5 GLN A 40 PHE A 45 -1 SHEET 4 A 5 LYS A 48 LEU A 50 -1 SHEET 5 A 5 SER A 65 ARG A 72 -1 SHEET 1 B 5 MET B 1 THR B 7 0 SHEET 2 B 5 LYS B 11 VAL B 17 -1 SHEET 3 B 5 GLN B 40 PHE B 45 -1 SHEET 4 B 5 LYS B 48 LEU B 50 -1 SHEET 5 B 5 SER B 65 ARG B 72 -1 LINK C GLY A 76 NZ LYS B 48 1555 1555 1.31 CRYST1 32.100 46.200 25.400 105.90 113.30 69.70 P 1 2 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 0.031153 -0.011524 0.011736 0.00000 SCALE2 0.000000 0.023078 0.003710 0.00000 SCALE3 0.000000 0.000000 0.043416 0.00000 ATOM 1 N MET A 1 15.493 30.088 14.694 1.00 8.36 N ATOM 2 CA MET A 1 14.600 29.031 15.110 1.00 8.15 C ATOM 3 C MET A 1 15.476 27.793 15.419 1.00 9.30 C ATOM 4 O MET A 1 16.571 27.561 14.871 1.00 8.96 O ATOM 5 CB MET A 1 13.500 28.837 14.105 1.00 9.89 C ATOM 6 CG MET A 1 13.823 27.997 12.931 1.00 10.21 C ATOM 7 SD MET A 1 12.312 27.711 11.891 1.00 10.33 S ATOM 8 CE MET A 1 13.174 26.595 10.726 1.00 7.30 C ATOM 9 N GLN A 2 14.968 27.014 16.326 1.00 9.75 N ATOM 10 CA GLN A 2 15.552 25.806 16.852 1.00 11.92 C ATOM 11 C GLN A 2 15.000 24.553 16.168 1.00 11.71 C ATOM 12 O GLN A 2 13.787 24.387 16.086 1.00 10.00 O ATOM 13 CB GLN A 2 15.368 25.715 18.386 1.00 12.39 C ATOM 14 CG GLN A 2 15.858 24.413 19.051 1.00 14.00 C ATOM 15 CD GLN A 2 15.676 24.587 20.561 1.00 15.59 C ATOM 16 OE1 GLN A 2 16.525 25.209 21.205 1.00 18.67 O ATOM 17 NE2 GLN A 2 14.564 24.203 21.152 1.00 15.39 N ATOM 18 N ILE A 3 15.960 23.745 15.687 1.00 11.79 N ATOM 19 CA ILE A 3 15.593 22.437 15.130 1.00 12.14 C ATOM 20 C ILE A 3 16.491 21.342 15.720 1.00 11.99 C ATOM 21 O ILE A 3 17.701 21.540 15.767 1.00 12.91 O ATOM 22 CB ILE A 3 15.623 22.354 13.570 1.00 11.15 C ATOM 23 CG1 ILE A 3 17.070 22.317 13.061 1.00 10.18 C ATOM 24 CG2 ILE A 3 14.740 23.446 12.921 1.00 13.21 C ATOM 25 CD1 ILE A 3 17.207 22.031 11.521 1.00 9.02 C ATOM 26 N PHE A 4 15.944 20.200 16.056 1.00 12.25 N ATOM 27 CA PHE A 4 16.773 19.057 16.520 1.00 13.15 C ATOM 28 C PHE A 4 17.180 18.222 15.282 1.00 12.74 C ATOM 29 O PHE A 4 16.385 18.037 14.350 1.00 11.03 O ATOM 30 CB PHE A 4 16.018 18.175 17.544 1.00 12.09 C ATOM 31 CG PHE A 4 15.274 19.045 18.537 1.00 13.99 C ATOM 32 CD1 PHE A 4 15.971 19.714 19.548 1.00 15.58 C ATOM 33 CD2 PHE A 4 13.919 19.249 18.418 1.00 12.90 C ATOM 34 CE1 PHE A 4 15.270 20.516 20.472 1.00 16.94 C ATOM 35 CE2 PHE A 4 13.218 20.056 19.290 1.00 13.29 C ATOM 36 CZ PHE A 4 13.872 20.676 20.328 1.00 13.52 C ATOM 37 N VAL A 5 18.426 17.773 15.304 1.00 13.22 N ATOM 38 CA VAL A 5 18.917 16.876 14.225 1.00 13.98 C ATOM 39 C VAL A 5 19.288 15.578 15.011 1.00 13.59 C ATOM 40 O VAL A 5 20.278 15.641 15.719 1.00 14.57 O ATOM 41 CB VAL A 5 20.068 17.371 13.379 1.00 13.57 C ATOM 42 CG1 VAL A 5 20.703 16.275 12.555 1.00 11.38 C ATOM 43 CG2 VAL A 5 19.690 18.545 12.461 1.00 15.41 C ATOM 44 N LYS A 6 18.517 14.559 14.858 1.00 13.82 N ATOM 45 CA LYS A 6 18.713 13.283 15.533 1.00 14.30 C ATOM 46 C LYS A 6 19.341 12.245 14.611 1.00 13.92 C ATOM 47 O LYS A 6 18.936 12.014 13.476 1.00 12.98 O ATOM 48 CB LYS A 6 17.389 12.670 16.047 1.00 14.37 C ATOM 49 CG LYS A 6 16.814 13.484 17.208 1.00 18.11 C ATOM 50 CD LYS A 6 15.542 12.913 17.813 1.00 19.21 C ATOM 51 CE LYS A 6 15.098 13.806 19.009 1.00 20.63 C ATOM 52 NZ LYS A 6 14.514 15.068 18.421 1.00 20.95 N ATOM 53 N THR A 7 20.323 11.641 15.189 1.00 15.29 N ATOM 54 CA THR A 7 21.128 10.538 14.580 1.00 16.88 C ATOM 55 C THR A 7 20.342 9.239 14.809 1.00 17.52 C ATOM 56 O THR A 7 19.540 9.233 15.793 1.00 16.37 O ATOM 57 CB THR A 7 22.459 10.579 15.414 1.00 16.96 C ATOM 58 OG1 THR A 7 23.462 11.186 14.534 1.00 20.35 O ATOM 59 CG2 THR A 7 22.782 9.349 16.186 1.00 14.38 C ATOM 60 N LEU A 8 20.540 8.243 13.962 1.00 17.89 N ATOM 61 CA LEU A 8 19.805 6.963 14.139 1.00 19.92 C ATOM 62 C LEU A 8 20.475 6.144 15.246 1.00 20.17 C ATOM 63 O LEU A 8 19.868 5.232 15.837 1.00 20.74 O ATOM 64 CB LEU A 8 19.617 6.226 12.810 1.00 20.30 C ATOM 65 CG LEU A 8 18.720 6.861 11.751 1.00 21.54 C ATOM 66 CD1 LEU A 8 17.985 5.815 10.938 1.00 20.75 C ATOM 67 CD2 LEU A 8 17.745 7.848 12.366 1.00 20.11 C ATOM 68 N THR A 9 21.715 6.489 15.518 1.00 20.19 N ATOM 69 CA THR A 9 22.550 5.909 16.537 1.00 20.18 C ATOM 70 C THR A 9 22.377 6.581 17.903 1.00 21.10 C ATOM 71 O THR A 9 23.203 6.405 18.827 1.00 21.16 O ATOM 72 CB THR A 9 24.062 5.788 16.119 1.00 19.73 C ATOM 73 OG1 THR A 9 24.498 7.162 15.898 1.00 18.99 O ATOM 74 CG2 THR A 9 24.234 4.854 14.904 1.00 18.17 C ATOM 75 N GLY A 10 21.307 7.347 18.060 1.00 21.46 N ATOM 76 CA GLY A 10 20.976 7.985 19.328 1.00 20.98 C ATOM 77 C GLY A 10 20.988 9.445 19.556 1.00 20.34 C ATOM 78 O GLY A 10 19.920 10.059 19.883 1.00 22.80 O ATOM 79 N LYS A 11 22.090 10.102 19.453 1.00 19.52 N ATOM 80 CA LYS A 11 22.389 11.501 19.658 1.00 18.54 C ATOM 81 C LYS A 11 21.633 12.579 18.896 1.00 17.68 C ATOM 82 O LYS A 11 21.488 12.603 17.676 1.00 17.39 O ATOM 83 CB LYS A 11 23.892 11.696 19.518 1.00 18.50 C ATOM 84 CG LYS A 11 24.440 12.277 18.252 1.00 17.75 C ATOM 85 CD LYS A 11 25.074 13.632 18.493 1.00 19.60 C ATOM 86 CE LYS A 11 25.904 13.687 19.750 1.00 17.90 C ATOM 87 NZ LYS A 11 27.259 13.128 19.408 1.00 20.99 N ATOM 88 N THR A 12 21.163 13.555 19.686 1.00 16.57 N ATOM 89 CA THR A 12 20.437 14.747 19.256 1.00 15.34 C ATOM 90 C THR A 12 21.383 15.952 19.160 1.00 14.94 C ATOM 91 O THR A 12 22.216 16.294 20.019 1.00 13.13 O ATOM 92 CB THR A 12 19.202 15.053 20.212 1.00 15.76 C ATOM 93 OG1 THR A 12 18.449 13.805 20.353 1.00 13.32 O ATOM 94 CG2 THR A 12 18.257 16.159 19.726 1.00 15.30 C ATOM 95 N ILE A 13 21.300 16.611 17.995 1.00 14.51 N ATOM 96 CA ILE A 13 22.111 17.819 17.718 1.00 14.02 C ATOM 97 C ILE A 13 21.098 18.976 17.684 1.00 14.17 C ATOM 98 O ILE A 13 20.080 18.886 16.973 1.00 13.79 O ATOM 99 CB ILE A 13 22.967 17.701 16.427 1.00 14.91 C ATOM 100 CG1 ILE A 13 23.803 16.391 16.380 1.00 17.67 C ATOM 101 CG2 ILE A 13 23.870 18.941 16.144 1.00 13.25 C ATOM 102 CD1 ILE A 13 24.304 16.035 14.899 1.00 16.77 C ATOM 103 N THR A 14 21.318 19.997 18.504 1.00 14.17 N ATOM 104 CA THR A 14 20.426 21.152 18.528 1.00 14.28 C ATOM 105 C THR A 14 21.128 22.243 17.713 1.00 13.66 C ATOM 106 O THR A 14 22.323 22.446 17.853 1.00 14.31 O ATOM 107 CB THR A 14 19.938 21.653 19.932 1.00 15.19 C ATOM 108 OG1 THR A 14 21.116 21.853 20.781 1.00 18.18 O ATOM 109 CG2 THR A 14 18.908 20.790 20.623 1.00 15.89 C ATOM 110 N LEU A 15 20.394 22.907 16.841 1.00 13.17 N ATOM 111 CA LEU A 15 20.958 23.956 15.991 1.00 11.88 C ATOM 112 C LEU A 15 20.027 25.169 15.966 1.00 10.53 C ATOM 113 O LEU A 15 18.848 24.984 16.145 1.00 9.32 O ATOM 114 CB LEU A 15 21.050 23.452 14.518 1.00 12.17 C ATOM 115 CG LEU A 15 21.916 22.276 14.171 1.00 11.74 C ATOM 116 CD1 LEU A 15 21.784 22.038 12.626 1.00 12.79 C ATOM 117 CD2 LEU A 15 23.366 22.614 14.417 1.00 11.07 C ATOM 118 N GLU A 16 20.658 26.314 15.674 1.00 11.33 N ATOM 119 CA GLU A 16 19.852 27.541 15.526 1.00 12.34 C ATOM 120 C GLU A 16 19.976 27.838 14.032 1.00 12.53 C ATOM 121 O GLU A 16 21.109 27.989 13.545 1.00 13.16 O ATOM 122 CB GLU A 16 20.221 28.686 16.446 1.00 12.85 C ATOM 123 CG GLU A 16 19.816 28.535 17.928 1.00 13.21 C ATOM 124 CD GLU A 16 18.346 28.656 18.167 1.00 14.44 C ATOM 125 OE1 GLU A 16 17.623 29.485 17.637 1.00 16.29 O ATOM 126 OE2 GLU A 16 17.849 27.825 18.949 1.00 14.11 O ATOM 127 N VAL A 17 18.849 27.766 13.337 1.00 11.10 N ATOM 128 CA VAL A 17 18.855 27.991 11.889 1.00 9.70 C ATOM 129 C VAL A 17 17.890 29.132 11.529 1.00 10.70 C ATOM 130 O VAL A 17 17.051 29.505 12.336 1.00 10.62 O ATOM 131 CB VAL A 17 18.358 26.685 11.178 1.00 7.94 C ATOM 132 CG1 VAL A 17 19.313 25.497 11.264 1.00 6.50 C ATOM 133 CG2 VAL A 17 16.951 26.348 11.566 1.00 4.01 C ATOM 134 N GLU A 18 18.020 29.592 10.303 1.00 11.11 N ATOM 135 CA GLU A 18 17.074 30.585 9.740 1.00 12.10 C ATOM 136 C GLU A 18 16.053 29.782 8.935 1.00 10.72 C ATOM 137 O GLU A 18 16.400 28.793 8.253 1.00 11.04 O ATOM 138 CB GLU A 18 17.811 31.593 8.831 1.00 13.00 C ATOM 139 CG GLU A 18 19.075 32.188 9.474 1.00 16.59 C ATOM 140 CD GLU A 18 19.853 33.140 8.603 1.00 18.02 C ATOM 141 OE1 GLU A 18 19.378 34.220 8.326 1.00 19.74 O ATOM 142 OE2 GLU A 18 20.951 32.699 8.185 1.00 18.00 O ATOM 143 N PRO A 19 14.800 30.187 8.928 1.00 11.13 N ATOM 144 CA PRO A 19 13.720 29.514 8.192 1.00 9.96 C ATOM 145 C PRO A 19 14.018 29.273 6.738 1.00 10.57 C ATOM 146 O PRO A 19 13.608 28.212 6.182 1.00 11.07 O ATOM 147 CB PRO A 19 12.487 30.356 8.484 1.00 11.46 C ATOM 148 CG PRO A 19 12.815 31.323 9.596 1.00 10.84 C ATOM 149 CD PRO A 19 14.309 31.393 9.635 1.00 11.21 C ATOM 150 N SER A 20 14.718 30.150 6.042 1.00 10.38 N ATOM 151 CA SER A 20 15.116 30.038 4.631 1.00 10.27 C ATOM 152 C SER A 20 16.440 29.346 4.353 1.00 9.56 C ATOM 153 O SER A 20 16.902 29.397 3.200 1.00 9.79 O ATOM 154 CB SER A 20 15.441 31.501 4.131 1.00 10.91 C ATOM 155 OG SER A 20 14.186 32.131 3.982 1.00 16.18 O ATOM 156 N ASP A 21 17.177 28.870 5.323 1.00 10.05 N ATOM 157 CA ASP A 21 18.472 28.214 5.074 1.00 9.74 C ATOM 158 C ASP A 21 18.226 27.020 4.113 1.00 8.23 C ATOM 159 O ASP A 21 17.189 26.380 4.272 1.00 5.48 O ATOM 160 CB ASP A 21 19.058 27.649 6.368 1.00 12.06 C ATOM 161 CG ASP A 21 19.924 28.550 7.182 1.00 13.86 C ATOM 162 OD1 ASP A 21 20.595 29.418 6.606 1.00 14.76 O ATOM 163 OD2 ASP A 21 19.984 28.342 8.423 1.00 17.67 O ATOM 164 N THR A 22 19.197 26.836 3.246 1.00 8.49 N ATOM 165 CA THR A 22 19.140 25.710 2.286 1.00 9.40 C ATOM 166 C THR A 22 19.534 24.484 3.126 1.00 10.46 C ATOM 167 O THR A 22 20.164 24.705 4.215 1.00 11.26 O ATOM 168 CB THR A 22 20.064 25.825 1.032 1.00 8.63 C ATOM 169 OG1 THR A 22 21.451 26.028 1.484 1.00 7.29 O ATOM 170 CG2 THR A 22 19.657 26.849 -0.028 1.00 7.29 C ATOM 171 N ILE A 23 19.226 23.320 2.620 1.00 10.65 N ATOM 172 CA ILE A 23 19.625 22.082 3.353 1.00 11.02 C ATOM 173 C ILE A 23 21.147 22.002 3.403 1.00 11.21 C ATOM 174 O ILE A 23 21.685 21.473 4.397 1.00 11.74 O ATOM 175 CB ILE A 23 18.965 20.814 2.748 1.00 12.28 C ATOM 176 CG1 ILE A 23 17.422 20.875 2.906 1.00 12.37 C ATOM 177 CG2 ILE A 23 19.572 19.515 3.379 1.00 12.19 C ATOM 178 CD1 ILE A 23 16.961 20.664 4.387 1.00 13.83 C ATOM 179 N GLU A 24 21.783 22.479 2.345 1.00 10.35 N ATOM 180 CA GLU A 24 23.275 22.436 2.292 1.00 12.26 C ATOM 181 C GLU A 24 23.860 23.230 3.453 1.00 11.47 C ATOM 182 O GLU A 24 24.904 22.943 4.065 1.00 12.76 O ATOM 183 CB GLU A 24 23.764 22.925 0.954 1.00 14.34 C ATOM 184 CG GLU A 24 25.041 23.748 0.786 1.00 19.74 C ATOM 185 CD GLU A 24 24.806 25.237 0.587 1.00 23.07 C ATOM 186 OE1 GLU A 24 23.748 25.713 0.147 1.00 24.02 O ATOM 187 OE2 GLU A 24 25.793 25.922 0.957 1.00 23.65 O ATOM 188 N ASN A 25 23.163 24.267 3.827 1.00 11.51 N ATOM 189 CA ASN A 25 23.533 25.178 4.919 1.00 11.91 C ATOM 190 C ASN A 25 23.494 24.504 6.281 1.00 11.33 C ATOM 191 O ASN A 25 24.359 24.736 7.114 1.00 11.31 O ATOM 192 CB ASN A 25 22.583 26.392 4.837 1.00 13.66 C ATOM 193 CG ASN A 25 23.494 27.623 4.906 1.00 16.08 C ATOM 194 OD1 ASN A 25 24.373 27.649 4.021 1.00 19.00 O ATOM 195 ND2 ASN A 25 23.295 28.415 5.943 1.00 17.03 N ATOM 196 N VAL A 26 22.437 23.727 6.497 1.00 11.56 N ATOM 197 CA VAL A 26 22.243 22.951 7.740 1.00 10.82 C ATOM 198 C VAL A 26 23.413 22.000 7.861 1.00 11.13 C ATOM 199 O VAL A 26 23.977 21.767 8.939 1.00 11.10 O ATOM 200 CB VAL A 26 20.859 22.277 7.693 1.00 10.26 C ATOM 201 CG1 VAL A 26 20.562 21.465 8.941 1.00 8.61 C ATOM 202 CG2 VAL A 26 19.768 23.334 7.503 1.00 11.80 C ATOM 203 N LYS A 27 23.743 21.403 6.695 1.00 10.87 N ATOM 204 CA LYS A 27 24.874 20.460 6.668 1.00 10.69 C ATOM 205 C LYS A 27 26.144 21.218 7.099 1.00 11.78 C ATOM 206 O LYS A 27 26.960 20.682 7.892 1.00 12.02 O ATOM 207 CB LYS A 27 25.099 19.895 5.271 1.00 11.16 C ATOM 208 CG LYS A 27 23.951 18.993 4.795 1.00 13.97 C ATOM 209 CD LYS A 27 24.278 18.186 3.551 1.00 12.73 C ATOM 210 CE LYS A 27 23.172 17.112 3.465 1.00 16.22 C ATOM 211 NZ LYS A 27 23.087 16.592 2.072 1.00 15.64 N ATOM 212 N ALA A 28 26.321 22.407 6.518 1.00 10.39 N ATOM 213 CA ALA A 28 27.552 23.176 6.906 1.00 11.54 C ATOM 214 C ALA A 28 27.492 23.509 8.388 1.00 10.53 C ATOM 215 O ALA A 28 28.540 23.529 9.055 1.00 11.00 O ATOM 216 CB ALA A 28 27.735 24.418 6.031 1.00 11.23 C ATOM 217 N LYS A 29 26.291 23.711 8.910 1.00 10.34 N ATOM 218 CA LYS A 29 26.159 24.018 10.357 1.00 11.12 C ATOM 219 C LYS A 29 26.442 22.798 11.223 1.00 10.07 C ATOM 220 O LYS A 29 26.984 22.904 12.353 1.00 10.99 O ATOM 221 CB LYS A 29 24.807 24.555 10.713 1.00 13.41 C ATOM 222 CG LYS A 29 24.530 26.013 10.347 1.00 14.40 C ATOM 223 CD LYS A 29 23.011 26.086 10.131 1.00 16.21 C ATOM 224 CE LYS A 29 22.462 27.430 10.498 1.00 17.92 C ATOM 225 NZ LYS A 29 23.258 28.514 9.881 1.00 18.23 N ATOM 226 N ILE A 30 26.146 21.636 10.684 1.00 7.97 N ATOM 227 CA ILE A 30 26.433 20.407 11.459 1.00 7.18 C ATOM 228 C ILE A 30 27.933 20.206 11.469 1.00 7.10 C ATOM 229 O ILE A 30 28.482 19.718 12.471 1.00 7.22 O ATOM 230 CB ILE A 30 25.606 19.207 10.854 1.00 5.93 C ATOM 231 CG1 ILE A 30 24.167 19.374 11.390 1.00 5.52 C ATOM 232 CG2 ILE A 30 26.185 17.783 11.151 1.00 4.50 C ATOM 233 CD1 ILE A 30 23.086 18.732 10.469 1.00 6.25 C ATOM 234 N GLN A 31 28.550 20.515 10.330 1.00 7.16 N ATOM 235 CA GLN A 31 30.012 20.312 10.208 1.00 8.57 C ATOM 236 C GLN A 31 30.711 21.243 11.214 1.00 9.37 C ATOM 237 O GLN A 31 31.618 20.798 11.977 1.00 9.74 O ATOM 238 CB GLN A 31 30.511 20.458 8.756 1.00 8.10 C ATOM 239 CG GLN A 31 32.018 20.575 8.699 1.00 11.49 C ATOM 240 CD GLN A 31 32.624 20.649 7.325 1.00 13.59 C ATOM 241 OE1 GLN A 31 32.092 21.309 6.441 1.00 16.30 O ATOM 242 NE2 GLN A 31 33.719 19.937 7.078 1.00 12.28 N ATOM 243 N ASP A 32 30.245 22.467 11.199 1.00 9.68 N ATOM 244 CA ASP A 32 30.687 23.544 12.103 1.00 12.04 C ATOM 245 C ASP A 32 30.770 23.009 13.526 1.00 11.13 C ATOM 246 O ASP A 32 31.788 23.118 14.172 1.00 13.02 O ATOM 247 CB ASP A 32 29.724 24.771 12.101 1.00 12.64 C ATOM 248 CG ASP A 32 29.908 25.631 10.857 1.00 13.93 C ATOM 249 OD1 ASP A 32 30.845 25.398 10.093 1.00 11.61 O ATOM 250 OD2 ASP A 32 29.071 26.531 10.624 1.00 16.07 O ATOM 251 N LYS A 33 29.697 22.396 13.948 1.00 11.19 N ATOM 252 CA LYS A 33 29.509 21.845 15.266 1.00 11.52 C ATOM 253 C LYS A 33 30.138 20.513 15.541 1.00 13.04 C ATOM 254 O LYS A 33 30.876 20.319 16.509 1.00 13.22 O ATOM 255 CB LYS A 33 27.980 21.753 15.507 1.00 11.54 C ATOM 256 CG LYS A 33 27.686 21.468 16.981 1.00 13.63 C ATOM 257 CD LYS A 33 26.200 21.609 17.310 1.00 13.74 C ATOM 258 CE LYS A 33 26.044 21.559 18.828 1.00 16.79 C ATOM 259 NZ LYS A 33 24.717 22.098 19.261 1.00 18.14 N ATOM 260 N GLU A 34 29.811 19.513 14.708 1.00 14.80 N ATOM 261 CA GLU A 34 30.282 18.138 14.900 1.00 14.73 C ATOM 262 C GLU A 34 31.492 17.737 14.100 1.00 14.31 C ATOM 263 O GLU A 34 32.178 16.759 14.462 1.00 15.28 O ATOM 264 CB GLU A 34 29.132 17.183 14.528 1.00 16.98 C ATOM 265 CG GLU A 34 27.861 17.167 15.329 1.00 18.43 C ATOM 266 CD GLU A 34 28.026 16.963 16.808 1.00 20.78 C ATOM 267 OE1 GLU A 34 28.920 16.126 17.065 1.00 21.57 O ATOM 268 OE2 GLU A 34 27.380 17.583 17.640 1.00 21.78 O ATOM 269 N GLY A 35 31.756 18.391 12.983 1.00 13.73 N ATOM 270 CA GLY A 35 32.916 18.039 12.160 1.00 12.24 C ATOM 271 C GLY A 35 32.591 16.967 11.119 1.00 12.14 C ATOM 272 O GLY A 35 33.553 16.537 10.470 1.00 12.35 O ATOM 273 N ILE A 36 31.340 16.614 10.922 1.00 11.48 N ATOM 274 CA ILE A 36 30.919 15.627 9.912 1.00 11.70 C ATOM 275 C ILE A 36 30.838 16.365 8.574 1.00 12.96 C ATOM 276 O ILE A 36 29.998 17.281 8.438 1.00 14.06 O ATOM 277 CB ILE A 36 29.558 14.976 10.276 1.00 11.53 C ATOM 278 CG1 ILE A 36 29.584 14.400 11.732 1.00 11.23 C ATOM 279 CG2 ILE A 36 29.094 13.903 9.233 1.00 10.11 C ATOM 280 CD1 ILE A 36 28.108 14.270 12.322 1.00 11.42 C ATOM 281 N PRO A 37 31.655 15.959 7.623 1.00 13.03 N ATOM 282 CA PRO A 37 31.688 16.559 6.277 1.00 12.42 C ATOM 283 C PRO A 37 30.330 16.504 5.585 1.00 12.33 C ATOM 284 O PRO A 37 29.632 15.495 5.586 1.00 12.35 O ATOM 285 CB PRO A 37 32.799 15.816 5.587 1.00 12.67 C ATOM 286 CG PRO A 37 33.675 15.302 6.720 1.00 12.48 C ATOM 287 CD PRO A 37 32.643 14.863 7.748 1.00 13.03 C ATOM 288 N PRO A 38 29.902 17.641 5.039 1.00 11.98 N ATOM 289 CA PRO A 38 28.604 17.759 4.377 1.00 12.19 C ATOM 290 C PRO A 38 28.345 16.632 3.404 1.00 12.12 C ATOM 291 O PRO A 38 27.221 16.113 3.298 1.00 11.12 O ATOM 292 CB PRO A 38 28.580 19.152 3.741 1.00 11.57 C ATOM 293 CG PRO A 38 29.612 19.931 4.511 1.00 12.70 C ATOM 294 CD PRO A 38 30.642 18.924 5.019 1.00 11.71 C ATOM 295 N ASP A 39 29.390 16.249 2.697 1.00 12.92 N ATOM 296 CA ASP A 39 29.292 15.168 1.700 1.00 13.80 C ATOM 297 C ASP A 39 28.838 13.837 2.293 1.00 13.44 C ATOM 298 O ASP A 39 28.224 13.037 1.576 1.00 13.80 O ATOM 299 CB ASP A 39 30.621 15.035 0.924 1.00 13.23 C ATOM 300 CG ASP A 39 30.502 15.994 -0.271 1.00 14.22 C ATOM 301 OD1 ASP A 39 29.415 15.976 -0.901 1.00 15.52 O ATOM 302 OD2 ASP A 39 31.489 16.670 -0.511 1.00 13.99 O ATOM 303 N GLN A 40 29.141 13.676 3.547 1.00 13.36 N ATOM 304 CA GLN A 40 28.847 12.441 4.286 1.00 13.80 C ATOM 305 C GLN A 40 27.436 12.447 4.833 1.00 11.90 C ATOM 306 O GLN A 40 26.948 11.380 5.225 1.00 12.85 O ATOM 307 CB GLN A 40 29.874 12.243 5.393 1.00 15.88 C ATOM 308 CG GLN A 40 31.051 11.355 5.167 1.00 19.80 C ATOM 309 CD GLN A 40 31.704 11.493 3.829 1.00 22.03 C ATOM 310 OE1 GLN A 40 32.791 12.054 3.658 1.00 25.38 O ATOM 311 NE2 GLN A 40 31.012 10.962 2.820 1.00 23.28 N ATOM 312 N GLN A 41 26.759 13.556 4.798 1.00 11.44 N ATOM 313 CA GLN A 41 25.407 13.660 5.374 1.00 10.53 C ATOM 314 C GLN A 41 24.251 13.576 4.410 1.00 9.63 C ATOM 315 O GLN A 41 24.243 14.107 3.318 1.00 10.07 O ATOM 316 CB GLN A 41 25.238 14.977 6.174 1.00 9.16 C ATOM 317 CG GLN A 41 26.364 15.258 7.186 1.00 10.95 C ATOM 318 CD GLN A 41 26.242 16.704 7.697 1.00 9.49 C ATOM 319 OE1 GLN A 41 25.204 17.326 7.660 1.00 8.25 O ATOM 320 NE2 GLN A 41 27.363 17.287 8.086 1.00 12.06 N ATOM 321 N ARG A 42 23.211 12.962 4.928 1.00 9.82 N ATOM 322 CA ARG A 42 21.895 12.754 4.355 1.00 8.72 C ATOM 323 C ARG A 42 20.896 13.197 5.445 1.00 8.60 C ATOM 324 O ARG A 42 20.788 12.578 6.535 1.00 7.24 O ATOM 325 CB ARG A 42 21.703 11.288 3.956 1.00 10.93 C ATOM 326 CG ARG A 42 22.697 10.804 2.861 1.00 11.04 C ATOM 327 CD ARG A 42 22.481 11.560 1.583 1.00 12.53 C ATOM 328 NE ARG A 42 23.443 11.165 0.567 1.00 14.72 N ATOM 329 CZ ARG A 42 24.698 11.529 0.353 1.00 13.82 C ATOM 330 NH1 ARG A 42 25.390 12.324 1.175 1.00 14.65 N ATOM 331 NH2 ARG A 42 25.367 11.047 -0.685 1.00 12.74 N ATOM 332 N LEU A 43 20.142 14.253 5.148 1.00 7.66 N ATOM 333 CA LEU A 43 19.154 14.751 6.135 1.00 7.97 C ATOM 334 C LEU A 43 17.797 14.252 5.666 1.00 8.72 C ATOM 335 O LEU A 43 17.593 14.183 4.450 1.00 7.91 O ATOM 336 CB LEU A 43 19.263 16.260 6.305 1.00 8.08 C ATOM 337 CG LEU A 43 20.572 16.739 6.958 1.00 9.07 C ATOM 338 CD1 LEU A 43 20.871 18.122 6.433 1.00 10.71 C ATOM 339 CD2 LEU A 43 20.418 16.699 8.488 1.00 8.15 C ATOM 340 N ILE A 44 16.980 13.945 6.669 1.00 8.74 N ATOM 341 CA ILE A 44 15.639 13.391 6.442 1.00 9.10 C ATOM 342 C ILE A 44 14.573 14.054 7.301 1.00 9.75 C ATOM 343 O ILE A 44 14.733 14.306 8.507 1.00 10.40 O ATOM 344 CB ILE A 44 15.738 11.850 6.809 1.00 8.32 C ATOM 345 CG1 ILE A 44 16.611 11.099 5.766 1.00 8.76 C ATOM 346 CG2 ILE A 44 14.341 11.232 6.947 1.00 7.16 C ATOM 347 CD1 ILE A 44 17.670 10.135 6.310 1.00 7.65 C ATOM 348 N PHE A 45 13.419 14.303 6.713 1.00 9.65 N ATOM 349 CA PHE A 45 12.298 14.890 7.458 1.00 9.86 C ATOM 350 C PHE A 45 11.046 14.090 7.032 1.00 10.29 C ATOM 351 O PHE A 45 10.864 13.875 5.838 1.00 11.21 O ATOM 352 CB PHE A 45 12.078 16.371 7.162 1.00 8.37 C ATOM 353 CG PHE A 45 10.969 16.979 7.984 1.00 7.82 C ATOM 354 CD1 PHE A 45 11.142 17.090 9.357 1.00 6.40 C ATOM 355 CD2 PHE A 45 9.838 17.517 7.368 1.00 7.57 C ATOM 356 CE1 PHE A 45 10.161 17.694 10.141 1.00 6.56 C ATOM 357 CE2 PHE A 45 8.856 18.140 8.159 1.00 7.63 C ATOM 358 CZ PHE A 45 9.035 18.191 9.548 1.00 5.84 C ATOM 359 N ALA A 46 10.268 13.693 7.971 1.00 11.72 N ATOM 360 CA ALA A 46 9.038 12.935 7.692 1.00 13.49 C ATOM 361 C ALA A 46 9.345 11.705 6.853 1.00 13.37 C ATOM 362 O ALA A 46 8.725 11.494 5.826 1.00 15.39 O ATOM 363 CB ALA A 46 8.060 13.891 6.983 1.00 12.58 C ATOM 364 N GLY A 47 10.308 10.913 7.233 1.00 13.59 N ATOM 365 CA GLY A 47 10.672 9.717 6.489 1.00 13.71 C ATOM 366 C GLY A 47 11.278 9.990 5.131 1.00 13.00 C ATOM 367 O GLY A 47 11.710 8.990 4.501 1.00 12.89 O ATOM 368 N LYS A 48 11.382 11.249 4.700 1.00 11.20 N ATOM 369 CA LYS A 48 12.025 11.463 3.384 1.00 10.94 C ATOM 370 C LYS A 48 13.367 12.141 3.423 1.00 9.76 C ATOM 371 O LYS A 48 13.742 13.004 4.219 1.00 10.69 O ATOM 372 CB LYS A 48 11.157 12.201 2.361 1.00 12.37 C ATOM 373 CG LYS A 48 9.858 11.421 1.995 1.00 15.30 C ATOM 374 CD LYS A 48 8.837 12.407 1.429 1.00 17.69 C ATOM 375 CE LYS A 48 7.463 12.309 2.028 1.00 20.29 C ATOM 376 NZ LYS A 48 7.437 11.902 3.472 1.00 21.94 N ATOM 377 N GLN A 49 14.150 11.768 2.408 1.00 10.37 N ATOM 378 CA GLN A 49 15.486 12.339 2.186 1.00 11.67 C ATOM 379 C GLN A 49 15.311 13.746 1.605 1.00 11.79 C ATOM 380 O GLN A 49 14.526 13.965 0.697 1.00 11.16 O ATOM 381 CB GLN A 49 16.359 11.408 1.392 1.00 12.24 C ATOM 382 CG GLN A 49 17.388 12.080 0.521 1.00 13.77 C ATOM 383 CD GLN A 49 18.656 11.306 0.321 1.00 14.87 C ATOM 384 OE1 GLN A 49 19.600 11.860 -0.250 1.00 15.55 O ATOM 385 NE2 GLN A 49 18.708 10.056 0.771 1.00 16.08 N ATOM 386 N LEU A 50 16.038 14.714 2.143 1.00 13.57 N ATOM 387 CA LEU A 50 15.975 16.134 1.730 1.00 12.12 C ATOM 388 C LEU A 50 17.054 16.511 0.742 1.00 12.48 C ATOM 389 O LEU A 50 18.141 15.997 0.759 1.00 12.11 O ATOM 390 CB LEU A 50 15.993 16.966 3.013 1.00 10.48 C ATOM 391 CG LEU A 50 15.065 16.597 4.146 1.00 9.33 C ATOM 392 CD1 LEU A 50 15.071 17.611 5.275 1.00 7.86 C ATOM 393 CD2 LEU A 50 13.680 16.386 3.563 1.00 9.99 C ATOM 394 N GLU A 51 16.730 17.441 -0.179 1.00 13.58 N ATOM 395 CA GLU A 51 17.665 17.910 -1.183 1.00 14.01 C ATOM 396 C GLU A 51 18.349 19.228 -0.788 1.00 14.52 C ATOM 397 O GLU A 51 17.708 20.103 -0.193 1.00 13.23 O ATOM 398 CB GLU A 51 17.032 18.170 -2.524 1.00 14.90 C ATOM 399 CG GLU A 51 17.269 16.942 -3.449 1.00 20.07 C ATOM 400 CD GLU A 51 15.929 16.343 -3.836 1.00 21.84 C ATOM 401 OE1 GLU A 51 15.469 15.681 -2.877 1.00 22.93 O ATOM 402 OE2 GLU A 51 15.437 16.656 -4.901 1.00 21.91 O ATOM 403 N ASP A 52 19.595 19.283 -1.216 1.00 14.84 N ATOM 404 CA ASP A 52 20.599 20.300 -1.008 1.00 14.70 C ATOM 405 C ASP A 52 20.212 21.737 -1.264 1.00 14.89 C ATOM 406 O ASP A 52 20.421 22.632 -0.406 1.00 15.65 O ATOM 407 CB ASP A 52 21.875 19.979 -1.798 1.00 15.01 C ATOM 408 CG ASP A 52 22.761 18.973 -1.123 1.00 16.06 C ATOM 409 OD1 ASP A 52 22.503 18.432 -0.044 1.00 15.60 O ATOM 410 OD2 ASP A 52 23.800 18.700 -1.760 1.00 18.93 O ATOM 411 N GLY A 53 19.689 21.943 -2.462 1.00 14.26 N ATOM 412 CA GLY A 53 19.328 23.277 -2.898 1.00 14.17 C ATOM 413 C GLY A 53 18.029 23.835 -2.380 1.00 13.99 C ATOM 414 O GLY A 53 17.824 25.049 -2.641 1.00 15.73 O ATOM 415 N ARG A 54 17.188 23.056 -1.742 1.00 12.70 N ATOM 416 CA ARG A 54 15.924 23.524 -1.190 1.00 12.08 C ATOM 417 C ARG A 54 16.110 24.105 0.222 1.00 11.27 C ATOM 418 O ARG A 54 17.117 23.842 0.895 1.00 11.07 O ATOM 419 CB ARG A 54 14.910 22.366 -1.128 1.00 13.31 C ATOM 420 CG ARG A 54 14.751 21.729 -2.509 1.00 14.51 C ATOM 421 CD ARG A 54 13.455 21.024 -2.661 1.00 17.28 C ATOM 422 NE ARG A 54 12.860 21.505 -3.884 1.00 21.16 N ATOM 423 CZ ARG A 54 12.065 22.553 -4.064 1.00 22.83 C ATOM 424 NH1 ARG A 54 11.557 23.265 -3.067 1.00 22.18 N ATOM 425 NH2 ARG A 54 11.915 22.973 -5.338 1.00 23.14 N ATOM 426 N THR A 55 15.111 24.855 0.656 1.00 9.34 N ATOM 427 CA THR A 55 15.111 25.476 1.958 1.00 10.24 C ATOM 428 C THR A 55 14.243 24.715 2.944 1.00 11.72 C ATOM 429 O THR A 55 13.326 23.956 2.577 1.00 12.77 O ATOM 430 CB THR A 55 14.620 26.981 1.893 1.00 9.75 C ATOM 431 OG1 THR A 55 13.177 26.898 1.635 1.00 11.34 O ATOM 432 CG2 THR A 55 15.292 27.813 0.797 1.00 9.48 C ATOM 433 N LEU A 56 14.540 24.978 4.207 1.00 12.29 N ATOM 434 CA LEU A 56 13.737 24.403 5.302 1.00 11.99 C ATOM 435 C LEU A 56 12.254 24.772 5.098 1.00 11.69 C ATOM 436 O LEU A 56 11.355 23.965 5.384 1.00 11.24 O ATOM 437 CB LEU A 56 14.311 25.006 6.574 1.00 11.80 C ATOM 438 CG LEU A 56 15.239 24.267 7.504 1.00 12.60 C ATOM 439 CD1 LEU A 56 15.933 23.034 6.991 1.00 9.44 C ATOM 440 CD2 LEU A 56 16.267 25.311 8.011 1.00 13.08 C ATOM 441 N SER A 57 12.001 25.999 4.632 1.00 11.67 N ATOM 442 CA SER A 57 10.603 26.474 4.449 1.00 10.38 C ATOM 443 C SER A 57 9.898 25.672 3.362 1.00 8.86 C ATOM 444 O SER A 57 8.733 25.315 3.596 1.00 8.96 O ATOM 445 CB SER A 57 10.418 27.945 4.256 1.00 11.65 C ATOM 446 OG SER A 57 11.291 28.532 3.292 1.00 16.04 O ATOM 447 N ASP A 58 10.597 25.355 2.308 1.00 9.01 N ATOM 448 CA ASP A 58 10.078 24.555 1.174 1.00 8.50 C ATOM 449 C ASP A 58 9.487 23.212 1.669 1.00 9.10 C ATOM 450 O ASP A 58 8.472 22.781 1.164 1.00 8.45 O ATOM 451 CB ASP A 58 11.161 24.245 0.170 1.00 7.75 C ATOM 452 CG ASP A 58 11.632 25.404 -0.673 1.00 7.87 C ATOM 453 OD1 ASP A 58 10.860 26.332 -0.920 1.00 9.50 O ATOM 454 OD2 ASP A 58 12.815 25.372 -1.100 1.00 8.00 O ATOM 455 N TYR A 59 10.146 22.619 2.632 1.00 9.45 N ATOM 456 CA TYR A 59 9.737 21.384 3.224 1.00 11.13 C ATOM 457 C TYR A 59 8.797 21.540 4.397 1.00 12.84 C ATOM 458 O TYR A 59 8.568 20.487 5.026 1.00 14.34 O ATOM 459 CB TYR A 59 10.964 20.569 3.654 1.00 10.56 C ATOM 460 CG TYR A 59 11.777 19.991 2.537 1.00 10.20 C ATOM 461 CD1 TYR A 59 11.187 19.067 1.640 1.00 10.79 C ATOM 462 CD2 TYR A 59 13.102 20.350 2.348 1.00 9.63 C ATOM 463 CE1 TYR A 59 11.933 18.477 0.647 1.00 11.33 C ATOM 464 CE2 TYR A 59 13.868 19.775 1.349 1.00 11.03 C ATOM 465 CZ TYR A 59 13.281 18.828 0.504 1.00 13.06 C ATOM 466 OH TYR A 59 14.023 18.240 -0.485 1.00 14.16 O ATOM 467 N ASN A 60 8.359 22.754 4.707 1.00 13.23 N ATOM 468 CA ASN A 60 7.445 22.964 5.843 1.00 12.45 C ATOM 469 C ASN A 60 8.066 22.588 7.178 1.00 12.07 C ATOM 470 O ASN A 60 7.401 22.258 8.164 1.00 11.94 O ATOM 471 CB ASN A 60 6.085 22.332 5.542 1.00 12.21 C ATOM 472 CG ASN A 60 4.996 22.746 6.536 1.00 12.25 C ATOM 473 OD1 ASN A 60 4.798 23.955 6.746 1.00 12.76 O ATOM 474 ND2 ASN A 60 4.279 21.826 7.166 1.00 10.90 N ATOM 475 N ILE A 61 9.369 22.687 7.287 1.00 13.02 N ATOM 476 CA ILE A 61 10.115 22.402 8.544 1.00 13.56 C ATOM 477 C ILE A 61 10.102 23.712 9.357 1.00 14.44 C ATOM 478 O ILE A 61 10.802 24.685 9.003 1.00 15.59 O ATOM 479 CB ILE A 61 11.542 21.903 8.196 1.00 11.76 C ATOM 480 CG1 ILE A 61 11.473 20.648 7.246 1.00 11.73 C ATOM 481 CG2 ILE A 61 12.437 21.570 9.408 1.00 13.82 C ATOM 482 CD1 ILE A 61 12.885 20.321 6.653 1.00 8.42 C ATOM 483 N GLN A 62 9.367 23.745 10.439 1.00 14.56 N ATOM 484 CA GLN A 62 9.113 24.834 11.350 1.00 13.01 C ATOM 485 C GLN A 62 9.836 24.681 12.695 1.00 13.10 C ATOM 486 O GLN A 62 10.555 23.700 12.906 1.00 12.27 O ATOM 487 CB GLN A 62 7.605 25.057 11.550 1.00 12.88 C ATOM 488 CG GLN A 62 6.986 25.567 10.277 1.00 14.95 C ATOM 489 CD GLN A 62 5.518 25.826 10.235 1.00 15.85 C ATOM 490 OE1 GLN A 62 4.825 26.178 11.171 1.00 18.01 O ATOM 491 NE2 GLN A 62 4.937 25.708 9.045 1.00 18.10 N ATOM 492 N LYS A 63 9.611 25.673 13.551 1.00 11.75 N ATOM 493 CA LYS A 63 10.268 25.743 14.861 1.00 11.60 C ATOM 494 C LYS A 63 10.108 24.430 15.584 1.00 10.72 C ATOM 495 O LYS A 63 9.101 23.760 15.441 1.00 9.89 O ATOM 496 CB LYS A 63 9.770 26.933 15.669 1.00 13.59 C ATOM 497 CG LYS A 63 8.296 27.263 15.606 1.00 13.48 C ATOM 498 CD LYS A 63 7.802 28.230 14.599 1.00 15.83 C ATOM 499 CE LYS A 63 8.167 28.152 13.124 1.00 13.34 C ATOM 500 NZ LYS A 63 6.956 28.635 12.351 1.00 14.28 N ATOM 501 N GLU A 64 11.122 23.990 16.306 1.00 11.00 N ATOM 502 CA GLU A 64 11.098 22.748 17.029 1.00 11.30 C ATOM 503 C GLU A 64 10.982 21.472 16.200 1.00 10.64 C ATOM 504 O GLU A 64 10.672 20.460 16.851 1.00 10.72 O ATOM 505 CB GLU A 64 9.889 22.627 18.014 1.00 10.46 C ATOM 506 CG GLU A 64 9.974 23.579 19.158 1.00 11.59 C ATOM 507 CD GLU A 64 11.271 24.233 19.471 1.00 13.43 C ATOM 508 OE1 GLU A 64 12.210 23.525 19.882 1.00 12.62 O ATOM 509 OE2 GLU A 64 11.348 25.457 19.389 1.00 15.19 O ATOM 510 N SER A 65 11.223 21.510 14.914 1.00 10.93 N ATOM 511 CA SER A 65 11.100 20.248 14.118 1.00 10.93 C ATOM 512 C SER A 65 12.292 19.346 14.384 1.00 10.85 C ATOM 513 O SER A 65 13.356 19.788 14.842 1.00 11.11 O ATOM 514 CB SER A 65 11.023 20.576 12.622 1.00 11.78 C ATOM 515 OG SER A 65 9.732 21.099 12.324 1.00 12.31 O ATOM 516 N THR A 66 12.124 18.071 14.060 1.00 11.16 N ATOM 517 CA THR A 66 13.181 17.085 14.233 1.00 11.76 C ATOM 518 C THR A 66 13.559 16.582 12.834 1.00 11.49 C ATOM 519 O THR A 66 12.614 16.233 12.102 1.00 11.62 O ATOM 520 CB THR A 66 12.830 15.867 15.169 1.00 12.53 C ATOM 521 OG1 THR A 66 12.816 16.397 16.521 1.00 14.96 O ATOM 522 CG2 THR A 66 13.866 14.715 15.056 1.00 12.01 C ATOM 523 N LEU A 67 14.841 16.589 12.562 1.00 10.99 N ATOM 524 CA LEU A 67 15.363 16.078 11.289 1.00 11.67 C ATOM 525 C LEU A 67 16.198 14.832 11.746 1.00 11.41 C ATOM 526 O LEU A 67 16.544 14.745 12.933 1.00 12.79 O ATOM 527 CB LEU A 67 16.241 16.956 10.448 1.00 12.17 C ATOM 528 CG LEU A 67 16.063 18.394 10.122 1.00 14.50 C ATOM 529 CD1 LEU A 67 16.988 18.891 9.001 1.00 14.16 C ATOM 530 CD2 LEU A 67 14.641 18.715 9.690 1.00 14.67 C ATOM 531 N HIS A 68 16.482 13.986 10.789 1.00 9.66 N ATOM 532 CA HIS A 68 17.306 12.818 11.110 1.00 9.44 C ATOM 533 C HIS A 68 18.558 12.970 10.222 1.00 8.57 C ATOM 534 O HIS A 68 18.421 13.585 9.172 1.00 8.97 O ATOM 535 CB HIS A 68 16.643 11.437 10.874 1.00 8.70 C ATOM 536 CG HIS A 68 15.587 11.214 11.901 1.00 9.65 C ATOM 537 ND1 HIS A 68 15.900 10.789 13.186 1.00 13.60 N ATOM 538 CD2 HIS A 68 14.254 11.373 11.868 1.00 8.46 C ATOM 539 CE1 HIS A 68 14.732 10.692 13.880 1.00 11.58 C ATOM 540 NE2 HIS A 68 13.770 11.059 13.073 1.00 9.30 N ATOM 541 N LEU A 69 19.620 12.409 10.702 1.00 9.03 N ATOM 542 CA LEU A 69 20.916 12.379 10.044 1.00 10.07 C ATOM 543 C LEU A 69 21.284 10.883 9.894 1.00 9.74 C ATOM 544 O LEU A 69 21.163 10.146 10.853 1.00 10.10 O ATOM 545 CB LEU A 69 21.959 13.179 10.828 1.00 9.90 C ATOM 546 CG LEU A 69 23.407 13.205 10.302 1.00 9.63 C ATOM 547 CD1 LEU A 69 23.518 14.125 9.119 1.00 7.38 C ATOM 548 CD2 LEU A 69 24.335 13.698 11.433 1.00 8.88 C ATOM 549 N VAL A 70 21.725 10.558 8.731 1.00 10.39 N ATOM 550 CA VAL A 70 22.205 9.274 8.226 1.00 11.91 C ATOM 551 C VAL A 70 23.544 9.593 7.583 1.00 13.93 C ATOM 552 O VAL A 70 23.708 10.727 7.095 1.00 15.93 O ATOM 553 CB VAL A 70 21.137 8.743 7.231 1.00 11.45 C ATOM 554 CG1 VAL A 70 21.628 7.845 6.138 1.00 10.57 C ATOM 555 CG2 VAL A 70 19.965 8.128 8.000 1.00 11.32 C ATOM 556 N LEU A 71 24.498 8.694 7.631 1.00 15.88 N ATOM 557 CA LEU A 71 25.809 8.907 7.031 1.00 16.89 C ATOM 558 C LEU A 71 25.857 8.103 5.727 1.00 17.89 C ATOM 559 O LEU A 71 25.249 7.022 5.724 1.00 16.85 O ATOM 560 CB LEU A 71 26.860 8.389 8.057 1.00 17.66 C ATOM 561 CG LEU A 71 26.870 9.241 9.345 1.00 18.65 C ATOM 562 CD1 LEU A 71 27.773 8.581 10.401 1.00 20.22 C ATOM 563 CD2 LEU A 71 27.402 10.613 8.967 1.00 17.73 C ATOM 564 N ARG A 72 26.550 8.673 4.780 1.00 18.64 N ATOM 565 CA ARG A 72 26.793 8.069 3.458 1.00 20.75 C ATOM 566 C ARG A 72 28.353 7.998 3.436 1.00 20.89 C ATOM 567 O ARG A 72 28.946 8.988 3.016 1.00 21.46 O ATOM 568 CB ARG A 72 26.406 8.938 2.278 1.00 21.22 C ATOM 569 CG ARG A 72 25.396 8.463 1.285 1.00 23.47 C ATOM 570 CD ARG A 72 25.665 7.171 0.609 1.00 23.99 C ATOM 571 NE ARG A 72 26.941 7.124 -0.040 1.00 26.14 N ATOM 572 CZ ARG A 72 27.373 6.152 -0.855 1.00 27.53 C ATOM 573 NH1 ARG A 72 26.546 5.151 -1.152 1.00 27.70 N ATOM 574 NH2 ARG A 72 28.622 6.184 -1.351 1.00 26.20 N ATOM 575 N LEU A 73 28.889 6.917 3.887 1.00 22.17 N ATOM 576 CA LEU A 73 30.315 6.637 3.989 1.00 24.42 C ATOM 577 C LEU A 73 30.869 5.709 2.939 1.00 27.15 C ATOM 578 O LEU A 73 30.296 4.681 2.520 1.00 28.75 O ATOM 579 CB LEU A 73 30.420 6.089 5.432 1.00 22.97 C ATOM 580 CG LEU A 73 31.299 6.829 6.409 1.00 23.70 C ATOM 581 CD1 LEU A 73 31.822 8.142 5.838 1.00 22.88 C ATOM 582 CD2 LEU A 73 30.465 7.125 7.646 1.00 23.98 C ATOM 583 N ARG A 74 32.073 5.985 2.466 1.00 30.35 N ATOM 584 CA ARG A 74 32.756 5.149 1.460 1.00 32.25 C ATOM 585 C ARG A 74 32.718 3.649 1.696 1.00 32.38 C ATOM 586 O ARG A 74 33.091 3.203 2.799 1.00 33.07 O ATOM 587 CB ARG A 74 34.269 5.546 1.454 1.00 33.51 C ATOM 588 CG ARG A 74 34.988 4.742 0.370 1.00 35.75 C ATOM 589 CD ARG A 74 34.629 5.305 -0.973 1.00 38.55 C ATOM 590 NE ARG A 74 35.582 6.348 -1.367 1.00 40.41 N ATOM 591 CZ ARG A 74 35.682 6.767 -2.633 1.00 41.38 C ATOM 592 NH1 ARG A 74 34.918 6.228 -3.588 1.00 40.97 N ATOM 593 NH2 ARG A 74 36.562 7.718 -2.941 1.00 42.86 N ATOM 594 N GLY A 75 32.354 2.874 0.694 1.00 32.71 N ATOM 595 CA GLY A 75 32.313 1.413 0.713 1.00 33.85 C ATOM 596 C GLY A 75 31.259 0.751 1.581 1.00 34.28 C ATOM 597 O GLY A 75 31.551 -0.249 2.316 1.00 34.69 O ATOM 598 N GLY A 76 30.036 1.264 1.519 1.00 33.51 N ATOM 599 CA GLY A 76 28.902 0.785 2.344 1.00 31.42 C ATOM 600 C GLY A 76 29.230 1.182 3.785 1.00 30.54 C ATOM 601 O GLY A 76 30.445 1.308 4.079 1.00 30.99 O TER 602 GLY A 76 ATOM 603 N MET B 1 16.481 -16.155 7.475 1.00 9.77 N ATOM 604 CA MET B 1 16.726 -15.421 8.722 1.00 10.56 C ATOM 605 C MET B 1 15.761 -14.223 8.740 1.00 10.50 C ATOM 606 O MET B 1 15.413 -13.658 7.712 1.00 9.97 O ATOM 607 CB MET B 1 18.142 -14.997 8.998 1.00 11.62 C ATOM 608 CG MET B 1 18.900 -14.265 7.956 1.00 11.15 C ATOM 609 SD MET B 1 20.369 -13.504 8.822 1.00 12.04 S ATOM 610 CE MET B 1 20.515 -11.985 7.890 1.00 12.11 C ATOM 611 N GLN B 2 15.379 -13.894 9.963 1.00 10.76 N ATOM 612 CA GLN B 2 14.426 -12.786 10.159 1.00 12.20 C ATOM 613 C GLN B 2 15.129 -11.470 10.483 1.00 11.09 C ATOM 614 O GLN B 2 15.939 -11.413 11.429 1.00 10.61 O ATOM 615 CB GLN B 2 13.404 -13.155 11.246 1.00 11.44 C ATOM 616 CG GLN B 2 12.494 -12.053 11.723 1.00 13.14 C ATOM 617 CD GLN B 2 11.715 -12.509 12.947 1.00 15.34 C ATOM 618 OE1 GLN B 2 12.237 -12.856 14.000 1.00 15.75 O ATOM 619 NE2 GLN B 2 10.392 -12.545 12.852 1.00 17.38 N ATOM 620 N ILE B 3 14.787 -10.453 9.728 1.00 11.09 N ATOM 621 CA ILE B 3 15.288 -9.089 9.993 1.00 11.81 C ATOM 622 C ILE B 3 14.071 -8.159 10.028 1.00 11.79 C ATOM 623 O ILE B 3 13.051 -8.587 9.476 1.00 12.80 O ATOM 624 CB ILE B 3 16.344 -8.595 8.939 1.00 11.97 C ATOM 625 CG1 ILE B 3 15.627 -8.410 7.586 1.00 11.57 C ATOM 626 CG2 ILE B 3 17.585 -9.508 8.915 1.00 11.12 C ATOM 627 CD1 ILE B 3 16.414 -7.489 6.588 1.00 12.45 C ATOM 628 N PHE B 4 14.178 -6.968 10.562 1.00 11.19 N ATOM 629 CA PHE B 4 13.077 -5.991 10.567 1.00 10.73 C ATOM 630 C PHE B 4 13.560 -4.750 9.781 1.00 10.31 C ATOM 631 O PHE B 4 14.754 -4.418 9.813 1.00 8.98 O ATOM 632 CB PHE B 4 12.731 -5.449 12.012 1.00 10.24 C ATOM 633 CG PHE B 4 12.614 -6.570 12.984 1.00 11.01 C ATOM 634 CD1 PHE B 4 11.475 -7.396 12.955 1.00 12.59 C ATOM 635 CD2 PHE B 4 13.679 -6.890 13.813 1.00 11.27 C ATOM 636 CE1 PHE B 4 11.368 -8.461 13.853 1.00 13.25 C ATOM 637 CE2 PHE B 4 13.627 -7.978 14.655 1.00 11.08 C ATOM 638 CZ PHE B 4 12.474 -8.756 14.689 1.00 13.48 C ATOM 639 N VAL B 5 12.579 -4.153 9.139 1.00 10.21 N ATOM 640 CA VAL B 5 12.896 -2.903 8.405 1.00 10.41 C ATOM 641 C VAL B 5 11.941 -1.868 9.029 1.00 11.06 C ATOM 642 O VAL B 5 10.722 -2.018 8.885 1.00 11.96 O ATOM 643 CB VAL B 5 12.878 -3.066 6.904 1.00 9.41 C ATOM 644 CG1 VAL B 5 12.947 -1.721 6.173 1.00 5.65 C ATOM 645 CG2 VAL B 5 14.070 -3.952 6.474 1.00 8.87 C ATOM 646 N LYS B 6 12.526 -0.948 9.749 1.00 10.55 N ATOM 647 CA LYS B 6 11.680 0.075 10.438 1.00 10.71 C ATOM 648 C LYS B 6 11.735 1.352 9.609 1.00 10.22 C ATOM 649 O LYS B 6 12.794 1.749 9.116 1.00 9.63 O ATOM 650 CB LYS B 6 12.268 0.348 11.803 1.00 12.44 C ATOM 651 CG LYS B 6 11.675 -0.255 13.052 1.00 14.92 C ATOM 652 CD LYS B 6 10.850 0.727 13.832 1.00 16.44 C ATOM 653 CE LYS B 6 9.601 1.245 13.191 1.00 19.13 C ATOM 654 NZ LYS B 6 9.398 2.721 13.395 1.00 19.11 N ATOM 655 N THR B 7 10.591 1.955 9.444 1.00 11.41 N ATOM 656 CA THR B 7 10.559 3.245 8.702 1.00 12.33 C ATOM 657 C THR B 7 10.853 4.333 9.739 1.00 14.19 C ATOM 658 O THR B 7 10.757 4.075 10.962 1.00 14.69 O ATOM 659 CB THR B 7 9.226 3.553 7.954 1.00 9.47 C ATOM 660 OG1 THR B 7 8.221 3.747 8.971 1.00 7.34 O ATOM 661 CG2 THR B 7 8.881 2.501 6.897 1.00 10.35 C ATOM 662 N LEU B 8 11.191 5.509 9.208 1.00 15.17 N ATOM 663 CA LEU B 8 11.450 6.594 10.191 1.00 16.54 C ATOM 664 C LEU B 8 10.093 7.154 10.658 1.00 17.07 C ATOM 665 O LEU B 8 10.103 8.052 11.496 1.00 16.71 O ATOM 666 CB LEU B 8 12.373 7.600 9.558 1.00 16.67 C ATOM 667 CG LEU B 8 13.856 7.407 9.435 1.00 16.34 C ATOM 668 CD1 LEU B 8 14.531 8.662 9.997 1.00 16.01 C ATOM 669 CD2 LEU B 8 14.369 6.202 10.180 1.00 17.15 C ATOM 670 N THR B 9 8.978 6.632 10.150 1.00 17.76 N ATOM 671 CA THR B 9 7.637 7.037 10.458 1.00 17.99 C ATOM 672 C THR B 9 6.738 6.012 11.154 1.00 18.67 C ATOM 673 O THR B 9 5.499 5.999 10.904 1.00 19.18 O ATOM 674 CB THR B 9 6.784 7.537 9.207 1.00 17.62 C ATOM 675 OG1 THR B 9 6.646 6.356 8.388 1.00 17.41 O ATOM 676 CG2 THR B 9 7.366 8.761 8.519 1.00 18.44 C ATOM 677 N GLY B 10 7.309 5.180 11.956 1.00 19.35 N ATOM 678 CA GLY B 10 6.701 4.176 12.788 1.00 18.31 C ATOM 679 C GLY B 10 6.166 2.883 12.305 1.00 16.73 C ATOM 680 O GLY B 10 5.291 2.294 12.963 1.00 16.30 O ATOM 681 N LYS B 11 6.652 2.370 11.202 1.00 17.07 N ATOM 682 CA LYS B 11 6.198 1.081 10.646 1.00 15.79 C ATOM 683 C LYS B 11 7.333 0.074 10.550 1.00 14.40 C ATOM 684 O LYS B 11 8.369 0.377 9.948 1.00 13.46 O ATOM 685 CB LYS B 11 5.520 1.288 9.299 1.00 17.42 C ATOM 686 CG LYS B 11 5.726 0.201 8.234 1.00 20.13 C ATOM 687 CD LYS B 11 4.912 0.534 6.990 1.00 23.24 C ATOM 688 CE LYS B 11 5.094 -0.399 5.816 1.00 24.02 C ATOM 689 NZ LYS B 11 6.523 -0.372 5.341 1.00 25.76 N ATOM 690 N THR B 12 7.109 -1.091 11.133 1.00 13.37 N ATOM 691 CA THR B 12 8.055 -2.220 11.090 1.00 13.82 C ATOM 692 C THR B 12 7.579 -3.253 10.055 1.00 14.03 C ATOM 693 O THR B 12 6.430 -3.730 9.995 1.00 14.42 O ATOM 694 CB THR B 12 8.332 -2.923 12.458 1.00 12.83 C ATOM 695 OG1 THR B 12 8.683 -1.851 13.376 1.00 11.97 O ATOM 696 CG2 THR B 12 9.500 -3.953 12.486 1.00 13.03 C ATOM 697 N ILE B 13 8.490 -3.556 9.150 1.00 13.95 N ATOM 698 CA ILE B 13 8.307 -4.568 8.101 1.00 12.00 C ATOM 699 C ILE B 13 9.147 -5.770 8.582 1.00 12.45 C ATOM 700 O ILE B 13 10.352 -5.594 8.827 1.00 12.57 O ATOM 701 CB ILE B 13 8.768 -4.100 6.697 1.00 11.61 C ATOM 702 CG1 ILE B 13 8.062 -2.801 6.213 1.00 10.55 C ATOM 703 CG2 ILE B 13 8.567 -5.173 5.561 1.00 11.03 C ATOM 704 CD1 ILE B 13 8.830 -2.138 5.035 1.00 9.63 C ATOM 705 N THR B 14 8.541 -6.932 8.727 1.00 12.63 N ATOM 706 CA THR B 14 9.269 -8.153 9.107 1.00 12.69 C ATOM 707 C THR B 14 9.606 -8.921 7.836 1.00 12.61 C ATOM 708 O THR B 14 8.686 -9.125 7.027 1.00 13.45 O ATOM 709 CB THR B 14 8.407 -8.965 10.133 1.00 14.21 C ATOM 710 OG1 THR B 14 8.490 -8.142 11.352 1.00 18.17 O ATOM 711 CG2 THR B 14 8.868 -10.389 10.378 1.00 13.07 C ATOM 712 N LEU B 15 10.846 -9.319 7.598 1.00 11.77 N ATOM 713 CA LEU B 15 11.233 -10.044 6.387 1.00 10.55 C ATOM 714 C LEU B 15 12.060 -11.308 6.759 1.00 9.60 C ATOM 715 O LEU B 15 12.716 -11.308 7.782 1.00 9.87 O ATOM 716 CB LEU B 15 12.076 -9.237 5.450 1.00 11.49 C ATOM 717 CG LEU B 15 11.818 -8.002 4.689 1.00 13.10 C ATOM 718 CD1 LEU B 15 13.100 -7.637 3.920 1.00 12.22 C ATOM 719 CD2 LEU B 15 10.684 -8.189 3.660 1.00 12.63 C ATOM 720 N GLU B 16 12.025 -12.242 5.868 1.00 8.96 N ATOM 721 CA GLU B 16 12.750 -13.512 5.892 1.00 10.43 C ATOM 722 C GLU B 16 13.686 -13.385 4.686 1.00 9.75 C ATOM 723 O GLU B 16 13.207 -13.223 3.562 1.00 10.00 O ATOM 724 CB GLU B 16 11.935 -14.804 5.766 1.00 10.46 C ATOM 725 CG GLU B 16 11.146 -15.236 7.006 1.00 10.08 C ATOM 726 CD GLU B 16 11.918 -15.351 8.268 1.00 11.28 C ATOM 727 OE1 GLU B 16 13.029 -15.954 8.082 1.00 14.99 O ATOM 728 OE2 GLU B 16 11.630 -14.968 9.368 1.00 9.91 O ATOM 729 N VAL B 17 14.954 -13.350 4.970 1.00 9.59 N ATOM 730 CA VAL B 17 15.970 -13.154 3.909 1.00 9.07 C ATOM 731 C VAL B 17 17.066 -14.196 4.111 1.00 10.17 C ATOM 732 O VAL B 17 17.078 -14.845 5.156 1.00 10.68 O ATOM 733 CB VAL B 17 16.558 -11.739 4.115 1.00 7.83 C ATOM 734 CG1 VAL B 17 15.554 -10.650 3.919 1.00 4.75 C ATOM 735 CG2 VAL B 17 17.268 -11.727 5.493 1.00 6.24 C ATOM 736 N GLU B 18 17.932 -14.252 3.130 1.00 10.94 N ATOM 737 CA GLU B 18 19.087 -15.157 3.221 1.00 12.76 C ATOM 738 C GLU B 18 20.268 -14.253 3.585 1.00 11.68 C ATOM 739 O GLU B 18 20.381 -13.131 3.069 1.00 12.62 O ATOM 740 CB GLU B 18 19.388 -15.883 1.910 1.00 16.35 C ATOM 741 CG GLU B 18 18.293 -16.797 1.307 1.00 19.43 C ATOM 742 CD GLU B 18 18.604 -17.276 -0.088 1.00 21.37 C ATOM 743 OE1 GLU B 18 19.704 -17.685 -0.411 1.00 23.71 O ATOM 744 OE2 GLU B 18 17.682 -17.205 -0.931 1.00 22.74 O ATOM 745 N PRO B 19 21.117 -14.723 4.457 1.00 11.35 N ATOM 746 CA PRO B 19 22.310 -14.014 4.890 1.00 10.65 C ATOM 747 C PRO B 19 23.172 -13.542 3.745 1.00 10.46 C ATOM 748 O PRO B 19 24.037 -12.645 3.877 1.00 10.42 O ATOM 749 CB PRO B 19 23.068 -15.042 5.778 1.00 11.44 C ATOM 750 CG PRO B 19 22.437 -16.376 5.459 1.00 11.36 C ATOM 751 CD PRO B 19 21.004 -16.075 5.113 1.00 10.90 C ATOM 752 N SER B 20 22.981 -14.107 2.558 1.00 10.57 N ATOM 753 CA SER B 20 23.843 -13.714 1.419 1.00 11.37 C ATOM 754 C SER B 20 23.136 -12.779 0.446 1.00 10.46 C ATOM 755 O SER B 20 23.759 -12.456 -0.577 1.00 10.09 O ATOM 756 CB SER B 20 24.278 -15.003 0.716 1.00 12.54 C ATOM 757 OG SER B 20 23.092 -15.825 0.739 1.00 17.85 O ATOM 758 N ASP B 21 21.916 -12.401 0.740 1.00 9.87 N ATOM 759 CA ASP B 21 21.157 -11.482 -0.139 1.00 9.43 C ATOM 760 C ASP B 21 21.897 -10.131 -0.185 1.00 9.12 C ATOM 761 O ASP B 21 22.415 -9.692 0.848 1.00 7.87 O ATOM 762 CB ASP B 21 19.735 -11.279 0.349 1.00 10.85 C ATOM 763 CG ASP B 21 18.822 -12.437 0.007 1.00 12.78 C ATOM 764 OD1 ASP B 21 18.901 -13.051 -1.068 1.00 12.42 O ATOM 765 OD2 ASP B 21 17.999 -12.714 0.905 1.00 15.25 O ATOM 766 N THR B 22 21.878 -9.579 -1.382 1.00 9.43 N ATOM 767 CA THR B 22 22.487 -8.259 -1.628 1.00 9.78 C ATOM 768 C THR B 22 21.452 -7.271 -1.080 1.00 10.07 C ATOM 769 O THR B 22 20.287 -7.716 -0.837 1.00 10.45 O ATOM 770 CB THR B 22 22.727 -7.951 -3.169 1.00 10.10 C ATOM 771 OG1 THR B 22 21.429 -8.252 -3.765 1.00 9.63 O ATOM 772 CG2 THR B 22 23.860 -8.720 -3.856 1.00 7.39 C ATOM 773 N ILE B 23 21.865 -6.034 -0.959 1.00 10.59 N ATOM 774 CA ILE B 23 20.918 -4.979 -0.452 1.00 10.70 C ATOM 775 C ILE B 23 19.835 -4.731 -1.470 1.00 11.80 C ATOM 776 O ILE B 23 18.673 -4.371 -1.156 1.00 13.21 O ATOM 777 CB ILE B 23 21.800 -3.752 -0.060 1.00 12.40 C ATOM 778 CG1 ILE B 23 22.840 -4.152 1.037 1.00 9.89 C ATOM 779 CG2 ILE B 23 21.011 -2.479 0.305 1.00 11.78 C ATOM 780 CD1 ILE B 23 22.277 -4.606 2.377 1.00 10.69 C ATOM 781 N GLU B 24 20.115 -4.910 -2.751 1.00 11.72 N ATOM 782 CA GLU B 24 19.112 -4.692 -3.818 1.00 11.92 C ATOM 783 C GLU B 24 18.073 -5.776 -3.812 1.00 11.13 C ATOM 784 O GLU B 24 16.866 -5.565 -4.049 1.00 11.66 O ATOM 785 CB GLU B 24 19.830 -4.468 -5.134 1.00 13.92 C ATOM 786 CG GLU B 24 19.133 -3.862 -6.314 1.00 18.47 C ATOM 787 CD GLU B 24 18.742 -2.429 -6.329 1.00 21.64 C ATOM 788 OE1 GLU B 24 19.516 -1.474 -6.351 1.00 22.74 O ATOM 789 OE2 GLU B 24 17.493 -2.250 -6.400 1.00 23.03 O ATOM 790 N ASN B 25 18.389 -6.969 -3.345 1.00 11.50 N ATOM 791 CA ASN B 25 17.408 -8.081 -3.266 1.00 11.42 C ATOM 792 C ASN B 25 16.400 -7.857 -2.141 1.00 10.73 C ATOM 793 O ASN B 25 15.219 -8.224 -2.237 1.00 10.72 O ATOM 794 CB ASN B 25 18.189 -9.375 -3.060 1.00 14.62 C ATOM 795 CG ASN B 25 17.746 -10.397 -4.094 1.00 18.65 C ATOM 796 OD1 ASN B 25 18.034 -10.175 -5.299 1.00 22.19 O ATOM 797 ND2 ASN B 25 17.111 -11.440 -3.603 1.00 19.03 N ATOM 798 N VAL B 26 16.878 -7.254 -1.088 1.00 9.82 N ATOM 799 CA VAL B 26 16.076 -6.917 0.104 1.00 8.96 C ATOM 800 C VAL B 26 15.093 -5.836 -0.303 1.00 9.02 C ATOM 801 O VAL B 26 13.903 -5.905 0.082 1.00 10.46 O ATOM 802 CB VAL B 26 17.028 -6.657 1.278 1.00 8.49 C ATOM 803 CG1 VAL B 26 16.315 -6.001 2.457 1.00 7.92 C ATOM 804 CG2 VAL B 26 17.696 -7.984 1.677 1.00 6.28 C ATOM 805 N LYS B 27 15.545 -4.891 -1.116 1.00 8.78 N ATOM 806 CA LYS B 27 14.679 -3.835 -1.650 1.00 8.81 C ATOM 807 C LYS B 27 13.593 -4.488 -2.541 1.00 9.23 C ATOM 808 O LYS B 27 12.427 -4.069 -2.572 1.00 8.75 O ATOM 809 CB LYS B 27 15.414 -2.848 -2.539 1.00 8.46 C ATOM 810 CG LYS B 27 16.331 -1.889 -1.797 1.00 14.12 C ATOM 811 CD LYS B 27 17.147 -1.044 -2.770 1.00 14.46 C ATOM 812 CE LYS B 27 17.894 0.034 -2.008 1.00 16.75 C ATOM 813 NZ LYS B 27 18.498 0.998 -2.951 1.00 18.26 N ATOM 814 N ALA B 28 14.057 -5.494 -3.303 1.00 9.99 N ATOM 815 CA ALA B 28 13.074 -6.184 -4.225 1.00 9.79 C ATOM 816 C ALA B 28 12.031 -6.856 -3.330 1.00 9.35 C ATOM 817 O ALA B 28 10.847 -6.824 -3.637 1.00 10.29 O ATOM 818 CB ALA B 28 13.787 -7.173 -5.110 1.00 8.15 C ATOM 819 N LYS B 29 12.502 -7.407 -2.205 1.00 9.67 N ATOM 820 CA LYS B 29 11.602 -8.075 -1.239 1.00 8.86 C ATOM 821 C LYS B 29 10.664 -7.094 -0.576 1.00 8.57 C ATOM 822 O LYS B 29 9.447 -7.441 -0.454 1.00 9.91 O ATOM 823 CB LYS B 29 12.317 -8.945 -0.219 1.00 9.24 C ATOM 824 CG LYS B 29 13.232 -9.985 -0.829 1.00 10.69 C ATOM 825 CD LYS B 29 13.815 -11.021 0.112 1.00 13.12 C ATOM 826 CE LYS B 29 14.502 -12.128 -0.692 1.00 13.24 C ATOM 827 NZ LYS B 29 14.942 -13.229 0.202 1.00 13.99 N ATOM 828 N ILE B 30 11.122 -5.915 -0.237 1.00 8.66 N ATOM 829 CA ILE B 30 10.275 -4.847 0.394 1.00 8.53 C ATOM 830 C ILE B 30 9.206 -4.450 -0.616 1.00 9.98 C ATOM 831 O ILE B 30 8.021 -4.271 -0.243 1.00 11.26 O ATOM 832 CB ILE B 30 11.181 -3.664 0.848 1.00 9.10 C ATOM 833 CG1 ILE B 30 11.953 -3.979 2.152 1.00 7.92 C ATOM 834 CG2 ILE B 30 10.488 -2.266 0.942 1.00 10.80 C ATOM 835 CD1 ILE B 30 13.432 -3.441 2.130 1.00 3.71 C ATOM 836 N GLN B 31 9.594 -4.311 -1.879 1.00 9.11 N ATOM 837 CA GLN B 31 8.694 -3.951 -2.964 1.00 9.37 C ATOM 838 C GLN B 31 7.562 -4.984 -3.086 1.00 11.25 C ATOM 839 O GLN B 31 6.391 -4.571 -3.211 1.00 11.75 O ATOM 840 CB GLN B 31 9.395 -3.827 -4.343 1.00 8.93 C ATOM 841 CG GLN B 31 8.440 -3.719 -5.534 1.00 9.82 C ATOM 842 CD GLN B 31 9.141 -3.544 -6.862 1.00 10.85 C ATOM 843 OE1 GLN B 31 10.150 -4.188 -7.191 1.00 12.17 O ATOM 844 NE2 GLN B 31 8.693 -2.599 -7.670 1.00 9.78 N ATOM 845 N ASP B 32 7.942 -6.239 -3.105 1.00 12.50 N ATOM 846 CA ASP B 32 7.044 -7.393 -3.233 1.00 14.34 C ATOM 847 C ASP B 32 5.920 -7.312 -2.195 1.00 15.54 C ATOM 848 O ASP B 32 4.759 -7.669 -2.430 1.00 16.72 O ATOM 849 CB ASP B 32 7.797 -8.719 -3.029 1.00 15.12 C ATOM 850 CG ASP B 32 8.736 -9.274 -4.090 1.00 15.79 C ATOM 851 OD1 ASP B 32 8.621 -8.899 -5.278 1.00 13.91 O ATOM 852 OD2 ASP B 32 9.626 -10.121 -3.788 1.00 14.08 O ATOM 853 N LYS B 33 6.328 -6.922 -1.015 1.00 16.49 N ATOM 854 CA LYS B 33 5.465 -6.837 0.187 1.00 16.48 C ATOM 855 C LYS B 33 4.794 -5.520 0.397 1.00 17.54 C ATOM 856 O LYS B 33 3.574 -5.473 0.695 1.00 17.81 O ATOM 857 CB LYS B 33 6.329 -7.299 1.319 1.00 16.83 C ATOM 858 CG LYS B 33 6.188 -7.148 2.749 1.00 17.51 C ATOM 859 CD LYS B 33 4.874 -7.572 3.375 1.00 19.90 C ATOM 860 CE LYS B 33 5.128 -7.775 4.880 1.00 20.93 C ATOM 861 NZ LYS B 33 6.381 -8.581 4.989 1.00 18.96 N ATOM 862 N GLU B 34 5.516 -4.394 0.215 1.00 17.99 N ATOM 863 CA GLU B 34 4.859 -3.087 0.465 1.00 17.37 C ATOM 864 C GLU B 34 4.567 -2.297 -0.797 1.00 16.91 C ATOM 865 O GLU B 34 3.904 -1.259 -0.662 1.00 16.25 O ATOM 866 CB GLU B 34 5.712 -2.246 1.410 1.00 17.78 C ATOM 867 CG GLU B 34 6.083 -2.930 2.756 1.00 20.71 C ATOM 868 CD GLU B 34 4.838 -3.107 3.600 1.00 23.43 C ATOM 869 OE1 GLU B 34 3.940 -2.272 3.563 1.00 23.21 O ATOM 870 OE2 GLU B 34 4.846 -4.171 4.259 1.00 24.29 O ATOM 871 N GLY B 35 5.066 -2.719 -1.945 1.00 15.88 N ATOM 872 CA GLY B 35 4.874 -2.052 -3.223 1.00 14.90 C ATOM 873 C GLY B 35 5.698 -0.817 -3.451 1.00 15.14 C ATOM 874 O GLY B 35 5.506 -0.056 -4.432 1.00 15.74 O ATOM 875 N ILE B 36 6.658 -0.548 -2.579 1.00 14.85 N ATOM 876 CA ILE B 36 7.540 0.587 -2.689 1.00 13.66 C ATOM 877 C ILE B 36 8.675 0.248 -3.666 1.00 14.14 C ATOM 878 O ILE B 36 9.462 -0.638 -3.312 1.00 13.95 O ATOM 879 CB ILE B 36 8.192 1.007 -1.332 1.00 14.87 C ATOM 880 CG1 ILE B 36 7.154 1.146 -0.194 1.00 14.63 C ATOM 881 CG2 ILE B 36 9.033 2.339 -1.534 1.00 14.95 C ATOM 882 CD1 ILE B 36 7.838 1.204 1.214 1.00 15.62 C ATOM 883 N PRO B 37 8.758 1.005 -4.748 1.00 13.80 N ATOM 884 CA PRO B 37 9.785 0.863 -5.774 1.00 13.35 C ATOM 885 C PRO B 37 11.194 0.858 -5.197 1.00 12.81 C ATOM 886 O PRO B 37 11.556 1.707 -4.383 1.00 12.84 O ATOM 887 CB PRO B 37 9.556 2.140 -6.646 1.00 13.73 C ATOM 888 CG PRO B 37 8.022 2.222 -6.610 1.00 13.65 C ATOM 889 CD PRO B 37 7.755 2.053 -5.114 1.00 13.84 C ATOM 890 N PRO B 38 12.017 -0.058 -5.664 1.00 12.27 N ATOM 891 CA PRO B 38 13.383 -0.227 -5.191 1.00 13.14 C ATOM 892 C PRO B 38 14.192 1.045 -5.307 1.00 14.03 C ATOM 893 O PRO B 38 15.068 1.366 -4.479 1.00 13.24 O ATOM 894 CB PRO B 38 13.919 -1.444 -5.959 1.00 13.34 C ATOM 895 CG PRO B 38 12.627 -2.206 -6.304 1.00 12.46 C ATOM 896 CD PRO B 38 11.651 -1.114 -6.646 1.00 12.62 C ATOM 897 N ASP B 39 13.844 1.813 -6.333 1.00 14.70 N ATOM 898 CA ASP B 39 14.496 3.090 -6.632 1.00 14.45 C ATOM 899 C ASP B 39 14.234 4.163 -5.585 1.00 12.71 C ATOM 900 O ASP B 39 15.096 5.037 -5.494 1.00 13.52 O ATOM 901 CB ASP B 39 14.056 3.609 -8.026 1.00 15.33 C ATOM 902 CG ASP B 39 15.114 3.038 -8.998 1.00 17.82 C ATOM 903 OD1 ASP B 39 16.292 3.193 -8.644 1.00 18.60 O ATOM 904 OD2 ASP B 39 14.666 2.468 -9.999 1.00 18.10 O ATOM 905 N GLN B 40 13.134 4.070 -4.930 1.00 12.36 N ATOM 906 CA GLN B 40 12.739 5.056 -3.902 1.00 13.31 C ATOM 907 C GLN B 40 13.209 4.619 -2.527 1.00 12.79 C ATOM 908 O GLN B 40 13.015 5.406 -1.556 1.00 13.89 O ATOM 909 CB GLN B 40 11.225 5.318 -4.004 1.00 14.61 C ATOM 910 CG GLN B 40 10.864 5.649 -5.490 1.00 16.85 C ATOM 911 CD GLN B 40 9.375 5.726 -5.690 1.00 20.11 C ATOM 912 OE1 GLN B 40 8.615 5.720 -4.704 1.00 22.06 O ATOM 913 NE2 GLN B 40 8.885 5.756 -6.937 1.00 19.84 N ATOM 914 N GLN B 41 13.922 3.511 -2.411 1.00 10.91 N ATOM 915 CA GLN B 41 14.388 3.025 -1.105 1.00 10.47 C ATOM 916 C GLN B 41 15.860 3.266 -0.789 1.00 9.90 C ATOM 917 O GLN B 41 16.781 3.023 -1.565 1.00 9.91 O ATOM 918 CB GLN B 41 14.111 1.537 -0.863 1.00 10.32 C ATOM 919 CG GLN B 41 12.708 0.989 -1.132 1.00 11.86 C ATOM 920 CD GLN B 41 12.669 -0.527 -1.020 1.00 11.83 C ATOM 921 OE1 GLN B 41 13.470 -1.139 -0.301 1.00 12.48 O ATOM 922 NE2 GLN B 41 11.796 -1.206 -1.756 1.00 13.01 N ATOM 923 N ARG B 42 16.100 3.675 0.456 1.00 9.54 N ATOM 924 CA ARG B 42 17.460 3.873 1.017 1.00 8.10 C ATOM 925 C ARG B 42 17.467 3.044 2.310 1.00 8.85 C ATOM 926 O ARG B 42 16.609 3.290 3.201 1.00 6.93 O ATOM 927 CB ARG B 42 17.740 5.352 1.273 1.00 10.20 C ATOM 928 CG ARG B 42 17.689 6.187 -0.081 1.00 10.39 C ATOM 929 CD ARG B 42 18.863 5.734 -0.924 1.00 10.77 C ATOM 930 NE ARG B 42 19.011 6.471 -2.161 1.00 9.83 N ATOM 931 CZ ARG B 42 18.261 6.232 -3.248 1.00 11.02 C ATOM 932 NH1 ARG B 42 17.321 5.286 -3.214 1.00 8.63 N ATOM 933 NH2 ARG B 42 18.419 6.969 -4.342 1.00 10.55 N ATOM 934 N LEU B 43 18.389 2.064 2.393 1.00 8.03 N ATOM 935 CA LEU B 43 18.470 1.183 3.544 1.00 8.95 C ATOM 936 C LEU B 43 19.663 1.618 4.417 1.00 9.65 C ATOM 937 O LEU B 43 20.708 1.879 3.835 1.00 8.73 O ATOM 938 CB LEU B 43 18.696 -0.264 3.088 1.00 12.07 C ATOM 939 CG LEU B 43 17.515 -1.181 2.848 1.00 12.87 C ATOM 940 CD1 LEU B 43 16.225 -0.552 3.348 1.00 12.59 C ATOM 941 CD2 LEU B 43 17.459 -1.609 1.408 1.00 13.89 C ATOM 942 N ILE B 44 19.381 1.592 5.708 1.00 9.11 N ATOM 943 CA ILE B 44 20.297 1.968 6.748 1.00 8.95 C ATOM 944 C ILE B 44 20.439 0.900 7.858 1.00 9.43 C ATOM 945 O ILE B 44 19.499 0.425 8.471 1.00 9.56 O ATOM 946 CB ILE B 44 19.843 3.311 7.439 1.00 7.63 C ATOM 947 CG1 ILE B 44 19.089 4.294 6.500 1.00 9.04 C ATOM 948 CG2 ILE B 44 21.021 4.006 8.146 1.00 8.95 C ATOM 949 CD1 ILE B 44 19.998 5.134 5.588 1.00 10.22 C ATOM 950 N PHE B 45 21.670 0.673 8.245 1.00 10.10 N ATOM 951 CA PHE B 45 22.132 -0.191 9.283 1.00 10.09 C ATOM 952 C PHE B 45 23.157 0.634 10.134 1.00 11.33 C ATOM 953 O PHE B 45 24.146 1.111 9.595 1.00 10.80 O ATOM 954 CB PHE B 45 22.862 -1.473 8.856 1.00 8.34 C ATOM 955 CG PHE B 45 23.136 -2.422 10.010 1.00 8.34 C ATOM 956 CD1 PHE B 45 22.095 -2.782 10.876 1.00 7.53 C ATOM 957 CD2 PHE B 45 24.365 -3.033 10.152 1.00 7.27 C ATOM 958 CE1 PHE B 45 22.289 -3.708 11.878 1.00 7.19 C ATOM 959 CE2 PHE B 45 24.604 -3.940 11.190 1.00 7.27 C ATOM 960 CZ PHE B 45 23.560 -4.254 12.068 1.00 6.55 C ATOM 961 N ALA B 46 22.847 0.641 11.420 1.00 12.25 N ATOM 962 CA ALA B 46 23.745 1.286 12.390 1.00 13.02 C ATOM 963 C ALA B 46 24.129 2.702 12.031 1.00 13.18 C ATOM 964 O ALA B 46 25.309 3.003 12.196 1.00 15.09 O ATOM 965 CB ALA B 46 24.985 0.375 12.586 1.00 10.33 C ATOM 966 N GLY B 47 23.243 3.541 11.574 1.00 14.08 N ATOM 967 CA GLY B 47 23.361 4.928 11.239 1.00 14.43 C ATOM 968 C GLY B 47 23.970 5.246 9.884 1.00 15.85 C ATOM 969 O GLY B 47 24.148 6.431 9.494 1.00 14.25 O ATOM 970 N LYS B 48 24.271 4.146 9.174 1.00 15.11 N ATOM 971 CA LYS B 48 24.869 4.377 7.833 1.00 15.00 C ATOM 972 C LYS B 48 24.077 3.728 6.733 1.00 13.46 C ATOM 973 O LYS B 48 23.409 2.667 6.882 1.00 13.34 O ATOM 974 CB LYS B 48 26.353 4.150 7.913 1.00 17.62 C ATOM 975 CG LYS B 48 27.083 3.643 6.694 1.00 22.28 C ATOM 976 CD LYS B 48 27.277 2.130 6.799 1.00 25.82 C ATOM 977 CE LYS B 48 28.474 1.626 6.054 1.00 28.62 C ATOM 978 NZ LYS B 48 28.246 1.612 4.531 1.00 29.78 N ATOM 979 N GLN B 49 24.084 4.403 5.592 1.00 11.35 N ATOM 980 CA GLN B 49 23.385 3.971 4.371 1.00 11.63 C ATOM 981 C GLN B 49 24.136 2.840 3.652 1.00 11.35 C ATOM 982 O GLN B 49 25.361 2.885 3.443 1.00 10.97 O ATOM 983 CB GLN B 49 23.191 5.170 3.444 1.00 13.78 C ATOM 984 CG GLN B 49 22.056 4.946 2.414 1.00 16.14 C ATOM 985 CD GLN B 49 21.912 6.201 1.557 1.00 17.12 C ATOM 986 OE1 GLN B 49 21.362 7.223 2.000 1.00 17.97 O ATOM 987 NE2 GLN B 49 22.411 6.056 0.349 1.00 15.59 N ATOM 988 N LEU B 50 23.401 1.876 3.168 1.00 11.84 N ATOM 989 CA LEU B 50 23.871 0.662 2.491 1.00 12.05 C ATOM 990 C LEU B 50 23.971 0.679 0.991 1.00 12.71 C ATOM 991 O LEU B 50 23.205 1.287 0.231 1.00 13.19 O ATOM 992 CB LEU B 50 22.995 -0.471 3.050 1.00 10.52 C ATOM 993 CG LEU B 50 23.304 -1.036 4.402 1.00 10.08 C ATOM 994 CD1 LEU B 50 24.282 -0.170 5.191 1.00 11.30 C ATOM 995 CD2 LEU B 50 22.055 -1.258 5.249 1.00 9.00 C ATOM 996 N GLU B 51 25.013 0.006 0.486 1.00 13.71 N ATOM 997 CA GLU B 51 25.257 -0.092 -0.982 1.00 14.26 C ATOM 998 C GLU B 51 24.575 -1.353 -1.529 1.00 13.59 C ATOM 999 O GLU B 51 24.774 -2.476 -1.015 1.00 12.20 O ATOM 1000 CB GLU B 51 26.747 -0.242 -1.236 1.00 16.77 C ATOM 1001 CG GLU B 51 27.555 0.867 -1.840 1.00 23.30 C ATOM 1002 CD GLU B 51 27.728 2.173 -1.144 1.00 26.59 C ATOM 1003 OE1 GLU B 51 26.976 2.342 -0.162 1.00 28.37 O ATOM 1004 OE2 GLU B 51 28.575 3.014 -1.471 1.00 29.24 O ATOM 1005 N ASP B 52 23.806 -1.186 -2.570 1.00 13.46 N ATOM 1006 CA ASP B 52 23.035 -2.150 -3.320 1.00 13.39 C ATOM 1007 C ASP B 52 23.715 -3.469 -3.691 1.00 13.17 C ATOM 1008 O ASP B 52 23.042 -4.506 -3.797 1.00 12.13 O ATOM 1009 CB ASP B 52 22.610 -1.523 -4.683 1.00 14.79 C ATOM 1010 CG ASP B 52 21.416 -0.631 -4.513 1.00 15.82 C ATOM 1011 OD1 ASP B 52 20.777 -0.721 -3.450 1.00 17.51 O ATOM 1012 OD2 ASP B 52 21.099 0.111 -5.434 1.00 17.94 O ATOM 1013 N GLY B 53 25.007 -3.365 -3.962 1.00 12.26 N ATOM 1014 CA GLY B 53 25.765 -4.517 -4.398 1.00 12.82 C ATOM 1015 C GLY B 53 26.478 -5.323 -3.340 1.00 12.65 C ATOM 1016 O GLY B 53 27.124 -6.335 -3.655 1.00 11.65 O ATOM 1017 N ARG B 54 26.332 -4.897 -2.094 1.00 12.61 N ATOM 1018 CA ARG B 54 26.980 -5.680 -1.019 1.00 12.79 C ATOM 1019 C ARG B 54 25.886 -6.525 -0.417 1.00 11.73 C ATOM 1020 O ARG B 54 24.683 -6.265 -0.633 1.00 11.67 O ATOM 1021 CB ARG B 54 27.760 -4.758 -0.074 1.00 15.18 C ATOM 1022 CG ARG B 54 28.698 -3.824 -0.846 1.00 16.26 C ATOM 1023 CD ARG B 54 29.827 -3.309 -0.027 1.00 21.87 C ATOM 1024 NE ARG B 54 31.040 -4.103 -0.239 1.00 25.00 N ATOM 1025 CZ ARG B 54 32.283 -3.648 -0.089 1.00 27.13 C ATOM 1026 NH1 ARG B 54 32.543 -2.388 0.283 1.00 28.63 N ATOM 1027 NH2 ARG B 54 33.343 -4.423 -0.321 1.00 27.04 N ATOM 1028 N THR B 55 26.285 -7.553 0.290 1.00 10.70 N ATOM 1029 CA THR B 55 25.325 -8.428 0.966 1.00 10.28 C ATOM 1030 C THR B 55 25.133 -8.002 2.417 1.00 10.30 C ATOM 1031 O THR B 55 25.877 -7.222 3.041 1.00 10.61 O ATOM 1032 CB THR B 55 25.765 -9.926 0.842 1.00 9.96 C ATOM 1033 OG1 THR B 55 26.931 -10.085 1.716 1.00 8.40 O ATOM 1034 CG2 THR B 55 26.110 -10.269 -0.637 1.00 9.10 C ATOM 1035 N LEU B 56 24.078 -8.558 2.953 1.00 10.59 N ATOM 1036 CA LEU B 56 23.755 -8.315 4.382 1.00 11.04 C ATOM 1037 C LEU B 56 24.983 -8.765 5.188 1.00 12.38 C ATOM 1038 O LEU B 56 25.400 -7.993 6.068 1.00 14.01 O ATOM 1039 CB LEU B 56 22.499 -9.088 4.673 1.00 8.47 C ATOM 1040 CG LEU B 56 21.232 -8.728 3.925 1.00 7.30 C ATOM 1041 CD1 LEU B 56 20.175 -9.829 4.140 1.00 6.83 C ATOM 1042 CD2 LEU B 56 20.760 -7.381 4.434 1.00 7.10 C ATOM 1043 N SER B 57 25.550 -9.928 4.858 1.00 12.06 N ATOM 1044 CA SER B 57 26.696 -10.461 5.604 1.00 12.22 C ATOM 1045 C SER B 57 27.941 -9.601 5.556 1.00 11.77 C ATOM 1046 O SER B 57 28.697 -9.588 6.561 1.00 11.51 O ATOM 1047 CB SER B 57 26.971 -11.931 5.338 1.00 14.30 C ATOM 1048 OG SER B 57 27.137 -12.240 3.944 1.00 17.62 O ATOM 1049 N ASP B 58 28.183 -8.876 4.476 1.00 11.90 N ATOM 1050 CA ASP B 58 29.310 -7.968 4.331 1.00 12.04 C ATOM 1051 C ASP B 58 29.206 -6.827 5.404 1.00 13.15 C ATOM 1052 O ASP B 58 30.205 -6.296 5.822 1.00 12.08 O ATOM 1053 CB ASP B 58 29.406 -7.311 2.985 1.00 13.01 C ATOM 1054 CG ASP B 58 29.749 -8.167 1.800 1.00 13.67 C ATOM 1055 OD1 ASP B 58 30.366 -9.231 2.007 1.00 16.07 O ATOM 1056 OD2 ASP B 58 29.428 -7.786 0.662 1.00 14.89 O ATOM 1057 N TYR B 59 27.989 -6.521 5.813 1.00 13.88 N ATOM 1058 CA TYR B 59 27.755 -5.475 6.787 1.00 15.35 C ATOM 1059 C TYR B 59 27.535 -6.030 8.192 1.00 15.89 C ATOM 1060 O TYR B 59 27.168 -5.215 9.038 1.00 16.78 O ATOM 1061 CB TYR B 59 26.502 -4.634 6.425 1.00 14.89 C ATOM 1062 CG TYR B 59 26.683 -3.776 5.205 1.00 13.87 C ATOM 1063 CD1 TYR B 59 27.650 -2.737 5.223 1.00 15.10 C ATOM 1064 CD2 TYR B 59 25.939 -3.959 4.056 1.00 13.40 C ATOM 1065 CE1 TYR B 59 27.830 -1.925 4.113 1.00 13.42 C ATOM 1066 CE2 TYR B 59 26.083 -3.112 2.957 1.00 13.45 C ATOM 1067 CZ TYR B 59 27.044 -2.115 2.988 1.00 14.37 C ATOM 1068 OH TYR B 59 27.242 -1.299 1.912 1.00 14.22 O ATOM 1069 N ASN B 60 27.698 -7.321 8.330 1.00 16.10 N ATOM 1070 CA ASN B 60 27.548 -8.100 9.547 1.00 14.66 C ATOM 1071 C ASN B 60 26.128 -7.989 10.077 1.00 14.40 C ATOM 1072 O ASN B 60 25.932 -7.855 11.273 1.00 14.76 O ATOM 1073 CB ASN B 60 28.621 -7.739 10.573 1.00 15.57 C ATOM 1074 CG ASN B 60 28.740 -8.688 11.766 1.00 14.96 C ATOM 1075 OD1 ASN B 60 28.617 -9.927 11.720 1.00 15.37 O ATOM 1076 ND2 ASN B 60 29.011 -8.098 12.913 1.00 14.31 N ATOM 1077 N ILE B 61 25.168 -8.012 9.164 1.00 14.00 N ATOM 1078 CA ILE B 61 23.736 -7.926 9.560 1.00 12.84 C ATOM 1079 C ILE B 61 23.346 -9.388 9.821 1.00 13.38 C ATOM 1080 O ILE B 61 23.286 -10.235 8.902 1.00 13.45 O ATOM 1081 CB ILE B 61 22.970 -7.231 8.412 1.00 11.94 C ATOM 1082 CG1 ILE B 61 23.502 -5.779 8.202 1.00 11.55 C ATOM 1083 CG2 ILE B 61 21.428 -7.253 8.493 1.00 12.03 C ATOM 1084 CD1 ILE B 61 23.103 -5.228 6.795 1.00 10.00 C ATOM 1085 N GLN B 62 23.115 -9.707 11.078 1.00 12.72 N ATOM 1086 CA GLN B 62 22.722 -11.045 11.492 1.00 11.54 C ATOM 1087 C GLN B 62 21.231 -11.093 11.839 1.00 11.27 C ATOM 1088 O GLN B 62 20.503 -10.085 11.766 1.00 12.56 O ATOM 1089 CB GLN B 62 23.640 -11.581 12.582 1.00 11.20 C ATOM 1090 CG GLN B 62 25.088 -11.597 12.096 1.00 12.02 C ATOM 1091 CD GLN B 62 26.037 -11.921 13.216 1.00 11.45 C ATOM 1092 OE1 GLN B 62 25.875 -12.932 13.886 1.00 12.95 O ATOM 1093 NE2 GLN B 62 27.031 -11.077 13.427 1.00 12.66 N ATOM 1094 N LYS B 63 20.786 -12.264 12.207 1.00 10.46 N ATOM 1095 CA LYS B 63 19.407 -12.582 12.546 1.00 10.84 C ATOM 1096 C LYS B 63 18.907 -11.548 13.559 1.00 10.42 C ATOM 1097 O LYS B 63 19.710 -11.161 14.386 1.00 11.67 O ATOM 1098 CB LYS B 63 19.146 -13.957 13.087 1.00 10.39 C ATOM 1099 CG LYS B 63 20.211 -14.589 13.991 1.00 12.66 C ATOM 1100 CD LYS B 63 19.673 -15.778 14.780 1.00 12.42 C ATOM 1101 CE LYS B 63 20.725 -16.832 15.036 1.00 16.20 C ATOM 1102 NZ LYS B 63 20.359 -17.693 16.204 1.00 18.46 N ATOM 1103 N GLU B 64 17.692 -11.170 13.424 1.00 10.10 N ATOM 1104 CA GLU B 64 16.975 -10.240 14.254 1.00 11.12 C ATOM 1105 C GLU B 64 17.515 -8.820 14.196 1.00 10.80 C ATOM 1106 O GLU B 64 17.286 -8.142 15.189 1.00 11.44 O ATOM 1107 CB GLU B 64 17.046 -10.641 15.747 1.00 11.96 C ATOM 1108 CG GLU B 64 15.826 -11.365 16.255 1.00 14.12 C ATOM 1109 CD GLU B 64 15.113 -12.184 15.201 1.00 16.47 C ATOM 1110 OE1 GLU B 64 15.733 -13.229 14.946 1.00 17.38 O ATOM 1111 OE2 GLU B 64 14.068 -11.857 14.672 1.00 17.92 O ATOM 1112 N SER B 65 18.236 -8.498 13.130 1.00 10.78 N ATOM 1113 CA SER B 65 18.800 -7.110 13.062 1.00 9.73 C ATOM 1114 C SER B 65 17.687 -6.171 12.621 1.00 8.29 C ATOM 1115 O SER B 65 16.734 -6.627 11.977 1.00 8.44 O ATOM 1116 CB SER B 65 19.924 -6.979 12.040 1.00 8.76 C ATOM 1117 OG SER B 65 21.043 -7.739 12.455 1.00 11.49 O ATOM 1118 N THR B 66 17.918 -4.896 12.862 1.00 7.53 N ATOM 1119 CA THR B 66 16.938 -3.906 12.418 1.00 8.28 C ATOM 1120 C THR B 66 17.653 -3.008 11.418 1.00 8.39 C ATOM 1121 O THR B 66 18.749 -2.589 11.761 1.00 7.93 O ATOM 1122 CB THR B 66 16.331 -3.003 13.542 1.00 10.68 C ATOM 1123 OG1 THR B 66 15.580 -3.898 14.381 1.00 13.78 O ATOM 1124 CG2 THR B 66 15.498 -1.845 12.949 1.00 11.22 C ATOM 1125 N LEU B 67 16.959 -2.827 10.321 1.00 9.23 N ATOM 1126 CA LEU B 67 17.463 -1.965 9.240 1.00 10.22 C ATOM 1127 C LEU B 67 16.418 -0.813 9.253 1.00 10.93 C ATOM 1128 O LEU B 67 15.363 -0.999 9.892 1.00 11.95 O ATOM 1129 CB LEU B 67 17.491 -2.709 7.917 1.00 11.79 C ATOM 1130 CG LEU B 67 18.290 -3.950 7.611 1.00 11.89 C ATOM 1131 CD1 LEU B 67 18.742 -3.977 6.139 1.00 11.70 C ATOM 1132 CD2 LEU B 67 19.556 -4.045 8.426 1.00 13.39 C ATOM 1133 N HIS B 68 16.726 0.279 8.640 1.00 9.59 N ATOM 1134 CA HIS B 68 15.796 1.401 8.591 1.00 10.11 C ATOM 1135 C HIS B 68 15.634 1.664 7.075 1.00 9.46 C ATOM 1136 O HIS B 68 16.510 1.314 6.314 1.00 10.54 O ATOM 1137 CB HIS B 68 16.302 2.700 9.281 1.00 10.71 C ATOM 1138 CG HIS B 68 16.540 2.503 10.735 1.00 10.82 C ATOM 1139 ND1 HIS B 68 15.564 2.499 11.700 1.00 12.45 N ATOM 1140 CD2 HIS B 68 17.685 2.288 11.411 1.00 10.84 C ATOM 1141 CE1 HIS B 68 16.079 2.312 12.874 1.00 9.94 C ATOM 1142 NE2 HIS B 68 17.366 2.136 12.679 1.00 9.86 N ATOM 1143 N LEU B 69 14.533 2.244 6.756 1.00 10.05 N ATOM 1144 CA LEU B 69 14.176 2.579 5.387 1.00 10.21 C ATOM 1145 C LEU B 69 13.768 4.065 5.318 1.00 9.69 C ATOM 1146 O LEU B 69 12.956 4.491 6.112 1.00 8.42 O ATOM 1147 CB LEU B 69 12.966 1.674 5.014 1.00 9.35 C ATOM 1148 CG LEU B 69 12.327 1.997 3.674 1.00 10.27 C ATOM 1149 CD1 LEU B 69 13.354 1.824 2.568 1.00 11.67 C ATOM 1150 CD2 LEU B 69 11.141 1.060 3.439 1.00 11.23 C ATOM 1151 N VAL B 70 14.370 4.739 4.382 1.00 11.20 N ATOM 1152 CA VAL B 70 14.060 6.150 4.033 1.00 11.56 C ATOM 1153 C VAL B 70 13.784 6.133 2.532 1.00 11.79 C ATOM 1154 O VAL B 70 14.236 5.266 1.783 1.00 11.27 O ATOM 1155 CB VAL B 70 15.074 7.164 4.538 1.00 10.69 C ATOM 1156 CG1 VAL B 70 15.079 7.270 6.077 1.00 12.06 C ATOM 1157 CG2 VAL B 70 16.512 6.870 4.154 1.00 12.44 C ATOM 1158 N LEU B 71 12.936 7.080 2.129 1.00 13.66 N ATOM 1159 CA LEU B 71 12.606 7.231 0.717 1.00 14.82 C ATOM 1160 C LEU B 71 13.461 8.405 0.179 1.00 15.19 C ATOM 1161 O LEU B 71 13.630 9.373 0.930 1.00 14.48 O ATOM 1162 CB LEU B 71 11.118 7.528 0.552 1.00 14.40 C ATOM 1163 CG LEU B 71 10.110 6.845 1.436 1.00 15.92 C ATOM 1164 CD1 LEU B 71 8.767 7.579 1.407 1.00 16.33 C ATOM 1165 CD2 LEU B 71 9.924 5.396 0.999 1.00 15.02 C ATOM 1166 N ARG B 72 13.943 8.224 -1.018 1.00 15.82 N ATOM 1167 CA ARG B 72 14.622 9.215 -1.804 1.00 17.52 C ATOM 1168 C ARG B 72 13.506 9.379 -2.926 1.00 19.28 C ATOM 1169 O ARG B 72 13.473 8.547 -3.833 1.00 18.99 O ATOM 1170 CB ARG B 72 15.923 9.134 -2.565 1.00 19.22 C ATOM 1171 CG ARG B 72 16.180 10.478 -3.267 1.00 19.89 C ATOM 1172 CD ARG B 72 17.527 10.969 -3.496 1.00 22.32 C ATOM 1173 NE ARG B 72 18.617 10.258 -2.950 1.00 26.69 N ATOM 1174 CZ ARG B 72 19.787 9.849 -3.440 1.00 27.89 C ATOM 1175 NH1 ARG B 72 20.187 10.099 -4.675 1.00 28.41 N ATOM 1176 NH2 ARG B 72 20.618 9.120 -2.659 1.00 29.30 N ATOM 1177 N LEU B 73 12.663 10.349 -2.656 1.00 20.32 N ATOM 1178 CA LEU B 73 11.531 10.631 -3.525 1.00 22.78 C ATOM 1179 C LEU B 73 11.797 11.761 -4.504 1.00 24.85 C ATOM 1180 O LEU B 73 12.595 12.675 -4.207 1.00 25.72 O ATOM 1181 CB LEU B 73 10.354 10.900 -2.591 1.00 22.11 C ATOM 1182 CG LEU B 73 9.311 9.836 -2.364 1.00 23.62 C ATOM 1183 CD1 LEU B 73 7.919 10.510 -2.307 1.00 23.49 C ATOM 1184 CD2 LEU B 73 9.345 8.850 -3.538 1.00 24.26 C ATOM 1185 N ARG B 74 11.129 11.711 -5.674 1.00 26.36 N ATOM 1186 CA ARG B 74 11.360 12.858 -6.578 1.00 28.09 C ATOM 1187 C ARG B 74 10.137 13.386 -7.268 1.00 28.96 C ATOM 1188 O ARG B 74 9.772 14.541 -6.934 1.00 28.62 O ATOM 1189 CB ARG B 74 12.607 12.743 -7.447 1.00 28.23 C ATOM 1190 CG ARG B 74 13.841 13.400 -6.832 1.00 28.82 C ATOM 1191 CD ARG B 74 14.866 13.800 -7.843 1.00 30.15 C ATOM 1192 NE ARG B 74 14.377 13.667 -9.210 1.00 30.63 N ATOM 1193 CZ ARG B 74 15.121 13.798 -10.303 1.00 30.79 C ATOM 1194 NH1 ARG B 74 16.380 14.195 -10.187 1.00 30.80 N ATOM 1195 NH2 ARG B 74 14.618 13.551 -11.523 1.00 32.01 N ATOM 1196 N GLY B 75 9.484 12.639 -8.140 1.00 30.33 N ATOM 1197 CA GLY B 75 8.317 13.095 -8.900 1.00 30.99 C ATOM 1198 C GLY B 75 6.941 12.800 -8.387 1.00 31.36 C ATOM 1199 O GLY B 75 6.720 12.390 -7.242 1.00 30.98 O ATOM 1200 N GLY B 76 5.943 13.044 -9.263 1.00 32.16 N ATOM 1201 CA GLY B 76 4.534 12.815 -8.961 1.00 32.06 C ATOM 1202 C GLY B 76 3.613 12.865 -10.171 1.00 32.81 C ATOM 1203 O GLY B 76 3.818 13.753 -11.052 1.00 32.98 O ATOM 1204 OXT GLY B 76 2.666 12.046 -10.210 1.00 31.82 O TER 1205 GLY B 76 HETATM 1206 O HOH A 202 22.048 8.190 11.882 1.00 8.01 O HETATM 1207 O HOH A 203 23.353 26.126 15.575 1.00 17.07 O HETATM 1208 O HOH A 206 14.565 32.285 13.341 1.00 19.55 O HETATM 1209 O HOH A 208 22.185 30.500 9.365 1.00 24.04 O HETATM 1210 O HOH A 210 23.300 20.353 21.303 1.00 29.36 O HETATM 1211 O HOH A 211 18.550 25.775 20.276 1.00 9.47 O HETATM 1212 O HOH A 214 12.435 13.851 10.788 1.00 28.86 O HETATM 1213 O HOH B 201 11.552 6.353 6.675 1.00 13.45 O HETATM 1214 O HOH B 204 20.039 -0.063 11.863 1.00 23.04 O HETATM 1215 O HOH B 205 9.068 -9.650 0.539 1.00 27.30 O HETATM 1216 O HOH B 207 20.206 2.523 11.939 1.00 21.36 O HETATM 1217 O HOH B 209 31.186 -9.997 7.014 1.00 7.58 O HETATM 1218 O HOH B 212 9.263 -11.204 -1.815 1.00 21.45 O HETATM 1219 O HOH B 213 16.417 -15.174 -0.358 1.00 18.91 O HETATM 1220 O HOH B 215 31.813 -8.419 9.332 1.00 21.37 O CONECT 600 978 CONECT 978 600 MASTER 247 1 0 4 10 0 0 6 1218 2 2 12 END If you find results from this site helpful for your research, please cite one of our papers:
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