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| HEADER IMMUNOGLOBULIN BINDING PROTEIN 23-NOV-93 1PGA | |
| TITLE TWO CRYSTAL STRUCTURES OF THE B1 IMMUNOGLOBULIN-BINDING DOMAIN OF | |
| TITLE 2 STREPTOCOCCAL PROTEIN G AND COMPARISON WITH NMR | |
| COMPND MOL_ID: 1; | |
| COMPND 2 MOLECULE: PROTEIN G; | |
| COMPND 3 CHAIN: A; | |
| COMPND 4 ENGINEERED: YES | |
| SOURCE MOL_ID: 1; | |
| SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SP. GX7805; | |
| SOURCE 3 ORGANISM_TAXID: 1325 | |
| KEYWDS IMMUNOGLOBULIN BINDING PROTEIN | |
| EXPDTA X-RAY DIFFRACTION | |
| AUTHOR T.GALLAGHER,P.ALEXANDER,P.BRYAN,G.L.GILLILAND | |
| REVDAT 3 29-NOV-17 1PGA 1 HELIX | |
| REVDAT 2 24-FEB-09 1PGA 1 VERSN | |
| REVDAT 1 30-APR-94 1PGA 0 | |
| JRNL AUTH T.GALLAGHER,P.ALEXANDER,P.BRYAN,G.L.GILLILAND | |
| JRNL TITL TWO CRYSTAL STRUCTURES OF THE B1 IMMUNOGLOBULIN-BINDING | |
| JRNL TITL 2 DOMAIN OF STREPTOCOCCAL PROTEIN G AND COMPARISON WITH NMR. | |
| JRNL REF BIOCHEMISTRY V. 33 4721 1994 | |
| JRNL REFN ISSN 0006-2960 | |
| JRNL PMID 8161530 | |
| JRNL DOI 10.1021/BI00181A032 | |
| REMARK 1 | |
| REMARK 1 REFERENCE 1 | |
| REMARK 1 AUTH A.ACHARI,S.P.HALE,A.J.HOWARD,G.M.CLORE,A.M.GRONENBORN, | |
| REMARK 1 AUTH 2 K.D.HARDMAN,M.WHITLOW | |
| REMARK 1 TITL 1.67 ANGSTROMS X-RAY STRUCTURE OF THE B2 | |
| REMARK 1 TITL 2 IMMUNOGLOBULIN-BINDING DOMAIN OF STREPTOCCOCAL PROTEIN G AND | |
| REMARK 1 TITL 3 COMPARISON TO THE NMR STRUCTURE OF THE B1 DOMAIN | |
| REMARK 1 REF BIOCHEMISTRY V. 31 10449 1992 | |
| REMARK 1 REFN ISSN 0006-2960 | |
| REMARK 1 REFERENCE 2 | |
| REMARK 1 AUTH A.M.GRONENBORN,D.R.FILPULA,N.Z.ESSIG,A.ACHARI,M.WHITLOW, | |
| REMARK 1 AUTH 2 P.T.WINGFIELD,G.M.CLORE | |
| REMARK 1 TITL A NOVEL, HIGHLY STABLE FOLD OF THE IMMUNOGLOBULIN BINDING | |
| REMARK 1 TITL 2 DOMAIN OF STREPTOCOCCAL PROTEIN G | |
| REMARK 1 REF SCIENCE V. 253 657 1991 | |
| REMARK 1 REFN ISSN 0036-8075 | |
| REMARK 2 | |
| REMARK 2 RESOLUTION. 2.07 ANGSTROMS. | |
| REMARK 3 | |
| REMARK 3 REFINEMENT. | |
| REMARK 3 PROGRAM : PROLSQ | |
| REMARK 3 AUTHORS : KONNERT,HENDRICKSON | |
| REMARK 3 | |
| REMARK 3 DATA USED IN REFINEMENT. | |
| REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.07 | |
| REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 6.00 | |
| REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL | |
| REMARK 3 COMPLETENESS FOR RANGE (%) : NULL | |
| REMARK 3 NUMBER OF REFLECTIONS : 2567 | |
| 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 + TEST SET) : 0.174 | |
| REMARK 3 R VALUE (WORKING SET) : NULL | |
| 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 | |
| REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. | |
| REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL | |
| REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL | |
| REMARK 3 FREE R VALUE (NO CUTOFF) : NULL | |
| REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL | |
| REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL | |
| REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL | |
| REMARK 3 | |
| REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. | |
| REMARK 3 PROTEIN ATOMS : 436 | |
| REMARK 3 NUCLEIC ACID ATOMS : 0 | |
| REMARK 3 HETEROGEN ATOMS : 0 | |
| REMARK 3 SOLVENT ATOMS : 20 | |
| 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 RMS DEVIATIONS FROM IDEAL VALUES. | |
| REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA | |
| REMARK 3 BOND LENGTH (A) : 0.020 ; NULL | |
| REMARK 3 ANGLE DISTANCE (A) : 1.970 ; NULL | |
| REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL | |
| REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL | |
| REMARK 3 | |
| REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL | |
| REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL | |
| REMARK 3 | |
| REMARK 3 NON-BONDED CONTACT RESTRAINTS. | |
| REMARK 3 SINGLE TORSION (A) : NULL ; NULL | |
| REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL | |
| REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL | |
| REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL | |
| REMARK 3 | |
| REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. | |
| REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL | |
| REMARK 3 PLANAR (DEGREES) : NULL ; NULL | |
| REMARK 3 STAGGERED (DEGREES) : NULL ; NULL | |
| REMARK 3 TRANSVERSE (DEGREES) : NULL ; 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 OTHER REFINEMENT REMARKS: NULL | |
| REMARK 4 | |
| REMARK 4 1PGA COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 | |
| REMARK 100 | |
| REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. | |
| REMARK 100 THE DEPOSITION ID IS D_1000175653. | |
| 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 <I/SIGMA(I)> 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 <I/SIGMA(I)> 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 (%): 35.95 | |
| REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.92 | |
| REMARK 280 | |
| REMARK 280 CRYSTALLIZATION CONDITIONS: NULL | |
| REMARK 290 | |
| REMARK 290 CRYSTALLOGRAPHIC SYMMETRY | |
| REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 | |
| REMARK 290 | |
| REMARK 290 SYMOP SYMMETRY | |
| REMARK 290 NNNMMM OPERATOR | |
| REMARK 290 1555 X,Y,Z | |
| REMARK 290 2555 -X+1/2,-Y,Z+1/2 | |
| REMARK 290 3555 -X,Y+1/2,-Z+1/2 | |
| REMARK 290 4555 X+1/2,-Y+1/2,-Z | |
| REMARK 290 | |
| REMARK 290 WHERE NNN -> OPERATOR NUMBER | |
| REMARK 290 MMM -> TRANSLATION VECTOR | |
| REMARK 290 | |
| REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS | |
| REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM | |
| REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY | |
| REMARK 290 RELATED MOLECULES. | |
| REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 | |
| REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 | |
| REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 | |
| REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 18.51950 | |
| REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 | |
| REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 25.63850 | |
| REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 | |
| REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 12.54200 | |
| REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 25.63850 | |
| REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 18.51950 | |
| REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 12.54200 | |
| REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 | |
| REMARK 290 | |
| REMARK 290 REMARK: NULL | |
| REMARK 300 | |
| REMARK 300 BIOMOLECULE: 1 | |
| REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM | |
| REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN | |
| REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON | |
| REMARK 300 BURIED SURFACE AREA. | |
| REMARK 350 | |
| REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN | |
| REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE | |
| REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS | |
| REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND | |
| REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. | |
| REMARK 350 | |
| REMARK 350 BIOMOLECULE: 1 | |
| REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC | |
| REMARK 350 APPLY THE FOLLOWING TO CHAINS: A | |
| 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: 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 ASN A 8 69.54 -117.60 | |
| REMARK 500 | |
| REMARK 500 REMARK: NULL | |
| DBREF 1PGA A 2 56 UNP P06654 SPG1_STRSG 228 282 | |
| SEQRES 1 A 56 MET THR TYR LYS LEU ILE LEU ASN GLY LYS THR LEU LYS | |
| SEQRES 2 A 56 GLY GLU THR THR THR GLU ALA VAL ASP ALA ALA THR ALA | |
| SEQRES 3 A 56 GLU LYS VAL PHE LYS GLN TYR ALA ASN ASP ASN GLY VAL | |
| SEQRES 4 A 56 ASP GLY GLU TRP THR TYR ASP ASP ALA THR LYS THR PHE | |
| SEQRES 5 A 56 THR VAL THR GLU | |
| FORMUL 2 HOH *20(H2 O) | |
| HELIX 1 1 ALA A 23 ASP A 36 1 14 | |
| SHEET 1 S1 4 LEU A 12 ALA A 20 0 | |
| SHEET 2 S1 4 MET A 1 GLY A 9 -1 | |
| SHEET 3 S1 4 LYS A 50 GLU A 56 1 | |
| SHEET 4 S1 4 GLU A 42 ASP A 46 -1 | |
| CRYST1 37.039 25.084 51.277 90.00 90.00 90.00 P 21 21 21 4 | |
| 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 0.026999 0.000000 0.000000 0.00000 | |
| SCALE2 0.000000 0.039866 0.000000 0.00000 | |
| SCALE3 0.000000 0.000000 0.019502 0.00000 | |
| ATOM 1 N MET A 1 26.778 34.213 35.880 1.00 14.61 N | |
| ATOM 2 CA MET A 1 26.659 32.769 36.242 1.00 16.66 C | |
| ATOM 3 C MET A 1 27.468 31.927 35.268 1.00 16.16 C | |
| ATOM 4 O MET A 1 27.699 32.342 34.110 1.00 15.79 O | |
| ATOM 5 CB MET A 1 25.202 32.296 36.219 1.00 15.87 C | |
| ATOM 6 CG MET A 1 24.345 32.901 37.319 1.00 18.67 C | |
| ATOM 7 SD MET A 1 22.647 32.419 37.205 1.00 18.22 S | |
| ATOM 8 CE MET A 1 22.101 32.510 39.040 1.00 18.66 C | |
| ATOM 9 N THR A 2 27.942 30.785 35.765 1.00 12.62 N | |
| ATOM 10 CA THR A 2 28.716 29.848 34.951 1.00 13.11 C | |
| ATOM 11 C THR A 2 27.810 28.681 34.500 1.00 12.17 C | |
| ATOM 12 O THR A 2 27.190 28.014 35.349 1.00 11.81 O | |
| ATOM 13 CB THR A 2 29.874 29.309 35.740 1.00 11.99 C | |
| ATOM 14 OG1 THR A 2 30.690 30.402 36.160 1.00 14.02 O | |
| ATOM 15 CG2 THR A 2 30.703 28.380 34.901 1.00 12.76 C | |
| ATOM 16 N TYR A 3 27.727 28.474 33.178 1.00 10.50 N | |
| ATOM 17 CA TYR A 3 26.925 27.439 32.581 1.00 8.87 C | |
| ATOM 18 C TYR A 3 27.786 26.384 31.926 1.00 10.84 C | |
| ATOM 19 O TYR A 3 28.925 26.623 31.562 1.00 9.00 O | |
| ATOM 20 CB TYR A 3 25.980 28.003 31.552 1.00 9.75 C | |
| ATOM 21 CG TYR A 3 25.043 29.056 32.084 1.00 9.86 C | |
| ATOM 22 CD1 TYR A 3 25.494 30.368 32.275 1.00 9.28 C | |
| ATOM 23 CD2 TYR A 3 23.704 28.754 32.362 1.00 8.58 C | |
| ATOM 24 CE1 TYR A 3 24.649 31.353 32.728 1.00 10.76 C | |
| ATOM 25 CE2 TYR A 3 22.841 29.745 32.816 1.00 12.25 C | |
| ATOM 26 CZ TYR A 3 23.334 31.057 32.992 1.00 9.45 C | |
| ATOM 27 OH TYR A 3 22.507 32.070 33.389 1.00 10.01 O | |
| ATOM 28 N LYS A 4 27.209 25.188 31.822 1.00 9.35 N | |
| ATOM 29 CA LYS A 4 27.880 24.053 31.245 1.00 12.62 C | |
| ATOM 30 C LYS A 4 27.146 23.549 30.005 1.00 10.41 C | |
| ATOM 31 O LYS A 4 25.927 23.642 29.883 1.00 8.07 O | |
| ATOM 32 CB LYS A 4 27.980 22.919 32.276 1.00 16.64 C | |
| ATOM 33 CG LYS A 4 28.614 21.682 31.687 1.00 23.52 C | |
| ATOM 34 CD LYS A 4 29.133 20.761 32.750 1.00 26.11 C | |
| ATOM 35 CE LYS A 4 28.104 19.671 33.082 1.00 32.58 C | |
| ATOM 36 NZ LYS A 4 28.622 18.689 34.151 1.00 33.40 N | |
| ATOM 37 N LEU A 5 27.906 23.017 29.076 1.00 8.27 N | |
| ATOM 38 CA LEU A 5 27.287 22.492 27.893 1.00 5.95 C | |
| ATOM 39 C LEU A 5 27.787 21.089 27.755 1.00 6.29 C | |
| ATOM 40 O LEU A 5 28.980 20.881 27.827 1.00 5.25 O | |
| ATOM 41 CB LEU A 5 27.718 23.274 26.662 1.00 5.32 C | |
| ATOM 42 CG LEU A 5 27.273 22.663 25.316 1.00 3.50 C | |
| ATOM 43 CD1 LEU A 5 25.786 22.592 25.165 1.00 2.85 C | |
| ATOM 44 CD2 LEU A 5 27.883 23.370 24.177 1.00 2.99 C | |
| ATOM 45 N ILE A 6 26.872 20.127 27.677 1.00 4.84 N | |
| ATOM 46 CA ILE A 6 27.234 18.718 27.430 1.00 6.82 C | |
| ATOM 47 C ILE A 6 26.857 18.445 25.938 1.00 6.98 C | |
| ATOM 48 O ILE A 6 25.684 18.610 25.488 1.00 5.70 O | |
| ATOM 49 CB ILE A 6 26.539 17.774 28.431 1.00 7.70 C | |
| ATOM 50 CG1 ILE A 6 26.929 18.189 29.827 1.00 8.62 C | |
| ATOM 51 CG2 ILE A 6 26.965 16.283 28.223 1.00 8.79 C | |
| ATOM 52 CD1 ILE A 6 26.270 17.302 30.804 1.00 10.87 C | |
| ATOM 53 N LEU A 7 27.883 18.141 25.160 1.00 6.28 N | |
| ATOM 54 CA LEU A 7 27.753 17.891 23.727 1.00 6.59 C | |
| ATOM 55 C LEU A 7 27.760 16.412 23.441 1.00 6.58 C | |
| ATOM 56 O LEU A 7 28.779 15.768 23.693 1.00 6.52 O | |
| ATOM 57 CB LEU A 7 28.948 18.512 22.941 1.00 6.20 C | |
| ATOM 58 CG LEU A 7 29.329 19.998 23.037 1.00 7.38 C | |
| ATOM 59 CD1 LEU A 7 30.665 20.164 23.746 1.00 5.51 C | |
| ATOM 60 CD2 LEU A 7 29.401 20.599 21.670 1.00 5.66 C | |
| ATOM 61 N ASN A 8 26.656 15.886 22.895 1.00 7.07 N | |
| ATOM 62 CA ASN A 8 26.607 14.472 22.512 1.00 8.36 C | |
| ATOM 63 C ASN A 8 26.394 14.448 21.001 1.00 6.87 C | |
| ATOM 64 O ASN A 8 25.320 14.170 20.496 1.00 4.58 O | |
| ATOM 65 CB ASN A 8 25.509 13.703 23.253 1.00 11.84 C | |
| ATOM 66 CG ASN A 8 25.427 12.198 22.812 1.00 17.44 C | |
| ATOM 67 OD1 ASN A 8 26.442 11.493 22.723 1.00 17.86 O | |
| ATOM 68 ND2 ASN A 8 24.216 11.740 22.470 1.00 19.85 N | |
| ATOM 69 N GLY A 9 27.390 14.850 20.248 1.00 6.96 N | |
| ATOM 70 CA GLY A 9 27.190 14.807 18.805 1.00 6.92 C | |
| ATOM 71 C GLY A 9 27.687 13.461 18.292 1.00 8.02 C | |
| ATOM 72 O GLY A 9 28.202 12.631 19.096 1.00 7.55 O | |
| ATOM 73 N LYS A 10 27.644 13.275 16.967 1.00 7.38 N | |
| ATOM 74 CA LYS A 10 28.097 12.053 16.383 1.00 7.81 C | |
| ATOM 75 C LYS A 10 29.608 12.016 16.332 1.00 8.00 C | |
| ATOM 76 O LYS A 10 30.227 10.985 16.633 1.00 5.03 O | |
| ATOM 77 CB LYS A 10 27.505 11.913 15.016 1.00 11.98 C | |
| ATOM 78 CG LYS A 10 26.053 11.530 15.078 1.00 16.38 C | |
| ATOM 79 CD LYS A 10 25.221 12.127 13.918 1.00 24.20 C | |
| ATOM 80 CE LYS A 10 25.741 11.707 12.492 1.00 27.12 C | |
| ATOM 81 NZ LYS A 10 24.966 12.355 11.327 1.00 27.49 N | |
| ATOM 82 N THR A 11 30.199 13.192 16.095 1.00 7.50 N | |
| ATOM 83 CA THR A 11 31.651 13.369 15.973 1.00 8.20 C | |
| ATOM 84 C THR A 11 32.334 13.991 17.218 1.00 7.89 C | |
| ATOM 85 O THR A 11 33.420 13.607 17.586 1.00 7.61 O | |
| ATOM 86 CB THR A 11 31.956 14.339 14.801 1.00 9.35 C | |
| ATOM 87 OG1 THR A 11 31.318 13.897 13.603 1.00 10.85 O | |
| ATOM 88 CG2 THR A 11 33.421 14.517 14.602 1.00 12.32 C | |
| ATOM 89 N LEU A 12 31.689 14.980 17.820 1.00 8.58 N | |
| ATOM 90 CA LEU A 12 32.240 15.708 18.937 1.00 7.27 C | |
| ATOM 91 C LEU A 12 31.473 15.439 20.241 1.00 7.67 C | |
| ATOM 92 O LEU A 12 30.249 15.645 20.358 1.00 7.27 O | |
| ATOM 93 CB LEU A 12 32.162 17.199 18.564 1.00 8.71 C | |
| ATOM 94 CG LEU A 12 33.156 18.300 18.949 1.00 10.48 C | |
| ATOM 95 CD1 LEU A 12 32.341 19.601 19.228 1.00 9.21 C | |
| ATOM 96 CD2 LEU A 12 34.036 17.907 20.136 1.00 8.42 C | |
| ATOM 97 N LYS A 13 32.202 15.087 21.265 1.00 5.43 N | |
| ATOM 98 CA LYS A 13 31.559 14.806 22.513 1.00 7.07 C | |
| ATOM 99 C LYS A 13 32.382 15.429 23.592 1.00 7.64 C | |
| ATOM 100 O LYS A 13 33.586 15.394 23.538 1.00 6.64 O | |
| ATOM 101 CB LYS A 13 31.508 13.303 22.723 1.00 8.04 C | |
| ATOM 102 CG LYS A 13 30.511 12.591 21.829 1.00 9.13 C | |
| ATOM 103 CD LYS A 13 30.582 11.080 22.038 1.00 9.99 C | |
| ATOM 104 CE LYS A 13 29.510 10.370 21.214 1.00 9.64 C | |
| ATOM 105 NZ LYS A 13 29.903 10.422 19.840 1.00 9.79 N | |
| ATOM 106 N GLY A 14 31.742 16.049 24.564 1.00 8.08 N | |
| ATOM 107 CA GLY A 14 32.551 16.607 25.608 1.00 10.91 C | |
| ATOM 108 C GLY A 14 31.784 17.507 26.519 1.00 13.82 C | |
| ATOM 109 O GLY A 14 30.540 17.459 26.526 1.00 12.43 O | |
| ATOM 110 N GLU A 15 32.511 18.353 27.246 1.00 12.18 N | |
| ATOM 111 CA GLU A 15 31.885 19.251 28.169 1.00 13.37 C | |
| ATOM 112 C GLU A 15 32.675 20.541 28.212 1.00 13.44 C | |
| ATOM 113 O GLU A 15 33.918 20.512 28.139 1.00 11.68 O | |
| ATOM 114 CB GLU A 15 31.955 18.585 29.514 1.00 16.38 C | |
| ATOM 115 CG GLU A 15 31.160 19.175 30.617 1.00 20.75 C | |
| ATOM 116 CD GLU A 15 30.988 18.128 31.732 1.00 22.61 C | |
| ATOM 117 OE1 GLU A 15 30.231 17.132 31.558 1.00 24.56 O | |
| ATOM 118 OE2 GLU A 15 31.675 18.255 32.749 1.00 22.88 O | |
| ATOM 119 N THR A 16 31.962 21.662 28.166 1.00 10.94 N | |
| ATOM 120 CA THR A 16 32.590 22.952 28.314 1.00 12.35 C | |
| ATOM 121 C THR A 16 31.657 23.748 29.154 1.00 11.69 C | |
| ATOM 122 O THR A 16 30.560 23.313 29.424 1.00 9.43 O | |
| ATOM 123 CB THR A 16 32.843 23.745 27.020 1.00 13.36 C | |
| ATOM 124 OG1 THR A 16 31.691 23.719 26.139 1.00 16.26 O | |
| ATOM 125 CG2 THR A 16 34.010 23.231 26.342 1.00 20.68 C | |
| ATOM 126 N THR A 17 32.102 24.933 29.549 1.00 12.87 N | |
| ATOM 127 CA THR A 17 31.337 25.872 30.369 1.00 13.13 C | |
| ATOM 128 C THR A 17 31.442 27.293 29.794 1.00 15.23 C | |
| ATOM 129 O THR A 17 32.280 27.575 28.937 1.00 12.64 O | |
| ATOM 130 CB THR A 17 31.906 25.957 31.777 1.00 13.66 C | |
| ATOM 131 OG1 THR A 17 33.175 26.606 31.730 1.00 12.04 O | |
| ATOM 132 CG2 THR A 17 32.089 24.590 32.337 1.00 12.62 C | |
| ATOM 133 N THR A 18 30.560 28.182 30.238 1.00 13.46 N | |
| ATOM 134 CA THR A 18 30.648 29.569 29.782 1.00 16.10 C | |
| ATOM 135 C THR A 18 30.183 30.439 30.924 1.00 15.95 C | |
| ATOM 136 O THR A 18 29.659 29.918 31.883 1.00 16.00 O | |
| ATOM 137 CB THR A 18 29.809 29.875 28.486 1.00 15.44 C | |
| ATOM 138 OG1 THR A 18 30.308 31.072 27.882 1.00 14.31 O | |
| ATOM 139 CG2 THR A 18 28.342 30.070 28.789 1.00 15.16 C | |
| ATOM 140 N GLU A 19 30.512 31.719 30.863 1.00 14.78 N | |
| ATOM 141 CA GLU A 19 30.112 32.696 31.870 1.00 18.12 C | |
| ATOM 142 C GLU A 19 29.090 33.566 31.129 1.00 14.65 C | |
| ATOM 143 O GLU A 19 29.308 33.925 29.998 1.00 16.84 O | |
| ATOM 144 CB GLU A 19 31.332 33.552 32.303 1.00 22.39 C | |
| ATOM 145 CG GLU A 19 31.413 33.990 33.814 1.00 28.69 C | |
| ATOM 146 CD GLU A 19 30.348 35.085 34.267 1.00 35.12 C | |
| ATOM 147 OE1 GLU A 19 29.864 35.904 33.419 1.00 35.81 O | |
| ATOM 148 OE2 GLU A 19 30.010 35.143 35.495 1.00 33.84 O | |
| ATOM 149 N ALA A 20 27.930 33.807 31.698 1.00 11.79 N | |
| ATOM 150 CA ALA A 20 26.954 34.653 31.011 1.00 11.11 C | |
| ATOM 151 C ALA A 20 25.998 35.271 32.023 1.00 11.25 C | |
| ATOM 152 O ALA A 20 25.861 34.745 33.095 1.00 10.25 O | |
| ATOM 153 CB ALA A 20 26.175 33.859 29.917 1.00 10.30 C | |
| ATOM 154 N VAL A 21 25.406 36.414 31.687 1.00 11.64 N | |
| ATOM 155 CA VAL A 21 24.428 37.125 32.548 1.00 13.50 C | |
| ATOM 156 C VAL A 21 23.176 36.342 32.872 1.00 13.35 C | |
| ATOM 157 O VAL A 21 22.648 36.441 33.968 1.00 13.80 O | |
| ATOM 158 CB VAL A 21 23.894 38.488 31.924 1.00 15.00 C | |
| ATOM 159 CG1 VAL A 21 24.715 39.622 32.402 1.00 13.17 C | |
| ATOM 160 CG2 VAL A 21 23.842 38.429 30.361 1.00 13.88 C | |
| ATOM 161 N ASP A 22 22.687 35.605 31.888 1.00 12.32 N | |
| ATOM 162 CA ASP A 22 21.526 34.808 32.082 1.00 10.39 C | |
| ATOM 163 C ASP A 22 21.599 33.656 31.128 1.00 10.50 C | |
| ATOM 164 O ASP A 22 22.473 33.619 30.238 1.00 9.88 O | |
| ATOM 165 CB ASP A 22 20.243 35.635 31.899 1.00 11.05 C | |
| ATOM 166 CG ASP A 22 20.069 36.160 30.520 1.00 12.87 C | |
| ATOM 167 OD1 ASP A 22 20.821 35.774 29.607 1.00 16.26 O | |
| ATOM 168 OD2 ASP A 22 19.146 36.972 30.319 1.00 16.47 O | |
| ATOM 169 N ALA A 23 20.639 32.740 31.269 1.00 8.81 N | |
| ATOM 170 CA ALA A 23 20.561 31.551 30.430 1.00 6.96 C | |
| ATOM 171 C ALA A 23 20.321 31.844 28.931 1.00 5.92 C | |
| ATOM 172 O ALA A 23 20.824 31.129 28.069 1.00 8.19 O | |
| ATOM 173 CB ALA A 23 19.503 30.664 30.975 1.00 6.19 C | |
| ATOM 174 N ALA A 24 19.543 32.880 28.616 1.00 4.63 N | |
| ATOM 175 CA ALA A 24 19.237 33.239 27.218 1.00 5.79 C | |
| ATOM 176 C ALA A 24 20.490 33.638 26.483 1.00 6.14 C | |
| ATOM 177 O ALA A 24 20.643 33.370 25.310 1.00 8.27 O | |
| ATOM 178 CB ALA A 24 18.162 34.389 27.146 1.00 5.79 C | |
| ATOM 179 N THR A 25 21.411 34.253 27.198 1.00 7.31 N | |
| ATOM 180 CA THR A 25 22.642 34.663 26.595 1.00 7.61 C | |
| ATOM 181 C THR A 25 23.567 33.440 26.482 1.00 8.29 C | |
| ATOM 182 O THR A 25 24.190 33.275 25.431 1.00 7.36 O | |
| ATOM 183 CB THR A 25 23.295 35.861 27.358 1.00 9.87 C | |
| ATOM 184 OG1 THR A 25 22.376 36.945 27.421 1.00 15.99 O | |
| ATOM 185 CG2 THR A 25 24.436 36.418 26.612 1.00 7.83 C | |
| ATOM 186 N ALA A 26 23.632 32.570 27.510 1.00 6.72 N | |
| ATOM 187 CA ALA A 26 24.499 31.366 27.438 1.00 9.64 C | |
| ATOM 188 C ALA A 26 24.004 30.444 26.304 1.00 10.01 C | |
| ATOM 189 O ALA A 26 24.795 29.892 25.550 1.00 10.49 O | |
| ATOM 190 CB ALA A 26 24.554 30.606 28.803 1.00 6.87 C | |
| ATOM 191 N GLU A 27 22.691 30.378 26.130 1.00 11.53 N | |
| ATOM 192 CA GLU A 27 22.101 29.590 25.062 1.00 13.51 C | |
| ATOM 193 C GLU A 27 22.566 30.053 23.656 1.00 13.78 C | |
| ATOM 194 O GLU A 27 22.766 29.254 22.743 1.00 12.47 O | |
| ATOM 195 CB GLU A 27 20.587 29.689 25.128 1.00 15.82 C | |
| ATOM 196 CG GLU A 27 19.983 28.615 24.307 1.00 21.36 C | |
| ATOM 197 CD GLU A 27 18.724 29.052 23.663 1.00 23.07 C | |
| ATOM 198 OE1 GLU A 27 17.994 29.851 24.306 1.00 25.94 O | |
| ATOM 199 OE2 GLU A 27 18.462 28.615 22.521 1.00 23.21 O | |
| ATOM 200 N LYS A 28 22.706 31.360 23.469 1.00 15.31 N | |
| ATOM 201 CA LYS A 28 23.180 31.932 22.177 1.00 13.12 C | |
| ATOM 202 C LYS A 28 24.673 31.606 21.915 1.00 9.68 C | |
| ATOM 203 O LYS A 28 25.086 31.328 20.783 1.00 8.78 O | |
| ATOM 204 CB LYS A 28 23.016 33.469 22.176 1.00 14.23 C | |
| ATOM 205 CG LYS A 28 21.731 34.012 21.531 1.00 17.45 C | |
| ATOM 206 CD LYS A 28 20.541 34.029 22.467 1.00 18.36 C | |
| ATOM 207 CE LYS A 28 19.944 32.644 22.755 1.00 18.63 C | |
| ATOM 208 NZ LYS A 28 18.765 32.791 23.728 1.00 17.32 N | |
| ATOM 209 N VAL A 29 25.471 31.760 22.968 1.00 8.13 N | |
| ATOM 210 CA VAL A 29 26.885 31.515 22.924 1.00 7.52 C | |
| ATOM 211 C VAL A 29 27.147 30.039 22.603 1.00 6.40 C | |
| ATOM 212 O VAL A 29 27.990 29.702 21.779 1.00 6.66 O | |
| ATOM 213 CB VAL A 29 27.486 31.891 24.303 1.00 7.57 C | |
| ATOM 214 CG1 VAL A 29 28.899 31.370 24.409 1.00 7.89 C | |
| ATOM 215 CG2 VAL A 29 27.458 33.433 24.518 1.00 6.16 C | |
| ATOM 216 N PHE A 30 26.469 29.154 23.332 1.00 7.49 N | |
| ATOM 217 CA PHE A 30 26.606 27.707 23.121 1.00 7.01 C | |
| ATOM 218 C PHE A 30 26.136 27.212 21.756 1.00 7.21 C | |
| ATOM 219 O PHE A 30 26.792 26.404 21.128 1.00 6.86 O | |
| ATOM 220 CB PHE A 30 25.893 26.960 24.228 1.00 7.00 C | |
| ATOM 221 CG PHE A 30 26.665 26.936 25.514 1.00 6.05 C | |
| ATOM 222 CD1 PHE A 30 28.066 26.954 25.508 1.00 4.97 C | |
| ATOM 223 CD2 PHE A 30 26.001 26.842 26.735 1.00 4.70 C | |
| ATOM 224 CE1 PHE A 30 28.786 26.873 26.704 1.00 3.77 C | |
| ATOM 225 CE2 PHE A 30 26.724 26.763 27.921 1.00 4.13 C | |
| ATOM 226 CZ PHE A 30 28.118 26.780 27.893 1.00 2.96 C | |
| ATOM 227 N LYS A 31 25.007 27.737 21.289 1.00 9.22 N | |
| ATOM 228 CA LYS A 31 24.465 27.362 20.003 1.00 9.74 C | |
| ATOM 229 C LYS A 31 25.468 27.769 18.973 1.00 10.79 C | |
| ATOM 230 O LYS A 31 25.726 27.029 18.067 1.00 11.32 O | |
| ATOM 231 CB LYS A 31 23.164 28.080 19.739 1.00 10.71 C | |
| ATOM 232 CG LYS A 31 21.959 27.448 20.394 1.00 15.00 C | |
| ATOM 233 CD LYS A 31 21.142 26.655 19.377 1.00 18.28 C | |
| ATOM 234 CE LYS A 31 19.630 26.666 19.692 1.00 20.79 C | |
| ATOM 235 NZ LYS A 31 19.282 26.112 21.023 1.00 19.71 N | |
| ATOM 236 N GLN A 32 26.018 28.963 19.088 1.00 9.07 N | |
| ATOM 237 CA GLN A 32 27.009 29.365 18.127 1.00 10.35 C | |
| ATOM 238 C GLN A 32 28.242 28.433 18.223 1.00 9.02 C | |
| ATOM 239 O GLN A 32 28.852 28.088 17.218 1.00 8.60 O | |
| ATOM 240 CB GLN A 32 27.401 30.823 18.374 1.00 11.61 C | |
| ATOM 241 CG GLN A 32 28.527 31.312 17.476 1.00 11.88 C | |
| ATOM 242 CD GLN A 32 28.791 32.813 17.645 1.00 13.83 C | |
| ATOM 243 OE1 GLN A 32 28.586 33.364 18.726 1.00 15.61 O | |
| ATOM 244 NE2 GLN A 32 29.172 33.478 16.571 1.00 12.31 N | |
| ATOM 245 N TYR A 33 28.656 28.118 19.451 1.00 8.39 N | |
| ATOM 246 CA TYR A 33 29.773 27.206 19.679 1.00 6.40 C | |
| ATOM 247 C TYR A 33 29.509 25.862 18.941 1.00 5.87 C | |
| ATOM 248 O TYR A 33 30.320 25.372 18.149 1.00 4.80 O | |
| ATOM 249 CB TYR A 33 29.946 27.000 21.178 1.00 6.67 C | |
| ATOM 250 CG TYR A 33 31.015 25.993 21.502 1.00 6.95 C | |
| ATOM 251 CD1 TYR A 33 32.355 26.338 21.387 1.00 7.21 C | |
| ATOM 252 CD2 TYR A 33 30.689 24.686 21.899 1.00 6.38 C | |
| ATOM 253 CE1 TYR A 33 33.374 25.417 21.669 1.00 9.67 C | |
| ATOM 254 CE2 TYR A 33 31.674 23.754 22.177 1.00 6.66 C | |
| ATOM 255 CZ TYR A 33 33.027 24.125 22.072 1.00 8.46 C | |
| ATOM 256 OH TYR A 33 34.039 23.263 22.408 1.00 9.40 O | |
| ATOM 257 N ALA A 34 28.338 25.291 19.178 1.00 7.50 N | |
| ATOM 258 CA ALA A 34 27.920 24.046 18.545 1.00 8.91 C | |
| ATOM 259 C ALA A 34 27.949 24.186 17.057 1.00 10.19 C | |
| ATOM 260 O ALA A 34 28.450 23.338 16.372 1.00 9.37 O | |
| ATOM 261 CB ALA A 34 26.496 23.710 18.955 1.00 7.87 C | |
| ATOM 262 N ASN A 35 27.384 25.279 16.574 1.00 11.90 N | |
| ATOM 263 CA ASN A 35 27.274 25.513 15.161 1.00 14.15 C | |
| ATOM 264 C ASN A 35 28.633 25.557 14.477 1.00 13.33 C | |
| ATOM 265 O ASN A 35 28.846 24.927 13.425 1.00 10.58 O | |
| ATOM 266 CB ASN A 35 26.487 26.810 14.914 1.00 20.29 C | |
| ATOM 267 CG ASN A 35 24.932 26.584 14.787 1.00 23.22 C | |
| ATOM 268 OD1 ASN A 35 24.309 27.068 13.800 1.00 26.74 O | |
| ATOM 269 ND2 ASN A 35 24.299 25.919 15.788 1.00 21.89 N | |
| ATOM 270 N ASP A 36 29.550 26.286 15.097 1.00 10.96 N | |
| ATOM 271 CA ASP A 36 30.915 26.410 14.554 1.00 14.21 C | |
| ATOM 272 C ASP A 36 31.675 25.089 14.557 1.00 9.94 C | |
| ATOM 273 O ASP A 36 32.637 24.933 13.842 1.00 11.88 O | |
| ATOM 274 CB ASP A 36 31.737 27.446 15.334 1.00 13.30 C | |
| ATOM 275 CG ASP A 36 31.270 28.892 15.089 1.00 19.45 C | |
| ATOM 276 OD1 ASP A 36 30.426 29.168 14.164 1.00 17.91 O | |
| ATOM 277 OD2 ASP A 36 31.807 29.761 15.834 1.00 18.68 O | |
| ATOM 278 N ASN A 37 31.237 24.154 15.379 1.00 10.35 N | |
| ATOM 279 CA ASN A 37 31.910 22.848 15.442 1.00 10.08 C | |
| ATOM 280 C ASN A 37 31.204 21.703 14.705 1.00 8.66 C | |
| ATOM 281 O ASN A 37 31.499 20.533 14.960 1.00 10.48 O | |
| ATOM 282 CB ASN A 37 32.217 22.467 16.889 1.00 9.61 C | |
| ATOM 283 CG ASN A 37 33.232 23.388 17.496 1.00 10.43 C | |
| ATOM 284 OD1 ASN A 37 34.434 23.277 17.242 1.00 10.40 O | |
| ATOM 285 ND2 ASN A 37 32.760 24.275 18.360 1.00 10.05 N | |
| ATOM 286 N GLY A 38 30.255 22.076 13.847 1.00 7.27 N | |
| ATOM 287 CA GLY A 38 29.514 21.139 13.029 1.00 9.93 C | |
| ATOM 288 C GLY A 38 28.423 20.349 13.682 1.00 9.26 C | |
| ATOM 289 O GLY A 38 27.981 19.401 13.076 1.00 10.47 O | |
| ATOM 290 N VAL A 39 28.018 20.735 14.895 1.00 9.93 N | |
| ATOM 291 CA VAL A 39 26.982 20.057 15.673 1.00 11.05 C | |
| ATOM 292 C VAL A 39 25.623 20.694 15.351 1.00 13.05 C | |
| ATOM 293 O VAL A 39 25.519 21.922 15.147 1.00 13.46 O | |
| ATOM 294 CB VAL A 39 27.256 20.156 17.179 1.00 11.99 C | |
| ATOM 295 CG1 VAL A 39 26.190 19.386 17.992 1.00 11.01 C | |
| ATOM 296 CG2 VAL A 39 28.618 19.623 17.474 1.00 12.09 C | |
| ATOM 297 N ASP A 40 24.627 19.823 15.237 1.00 12.80 N | |
| ATOM 298 CA ASP A 40 23.273 20.165 14.911 1.00 16.78 C | |
| ATOM 299 C ASP A 40 22.364 19.106 15.560 1.00 16.32 C | |
| ATOM 300 O ASP A 40 22.057 18.080 14.952 1.00 17.59 O | |
| ATOM 301 CB ASP A 40 23.133 20.098 13.390 1.00 19.31 C | |
| ATOM 302 CG ASP A 40 21.922 20.848 12.870 1.00 21.54 C | |
| ATOM 303 OD1 ASP A 40 21.056 21.312 13.659 1.00 21.98 O | |
| ATOM 304 OD2 ASP A 40 21.855 20.980 11.621 1.00 27.00 O | |
| ATOM 305 N GLY A 41 21.933 19.353 16.786 1.00 15.38 N | |
| ATOM 306 CA GLY A 41 21.070 18.388 17.442 1.00 14.55 C | |
| ATOM 307 C GLY A 41 19.901 18.972 18.209 1.00 13.77 C | |
| ATOM 308 O GLY A 41 19.433 20.086 17.910 1.00 14.74 O | |
| ATOM 309 N GLU A 42 19.370 18.175 19.131 1.00 14.03 N | |
| ATOM 310 CA GLU A 42 18.281 18.573 20.025 1.00 15.15 C | |
| ATOM 311 C GLU A 42 18.921 19.078 21.289 1.00 13.42 C | |
| ATOM 312 O GLU A 42 19.965 18.538 21.727 1.00 9.64 O | |
| ATOM 313 CB GLU A 42 17.322 17.413 20.322 1.00 20.68 C | |
| ATOM 314 CG GLU A 42 16.345 17.122 19.126 1.00 26.20 C | |
| ATOM 315 CD GLU A 42 15.372 15.922 19.367 1.00 32.15 C | |
| ATOM 316 OE1 GLU A 42 15.872 14.870 19.871 1.00 32.35 O | |
| ATOM 317 OE2 GLU A 42 14.131 16.030 19.037 1.00 31.50 O | |
| ATOM 318 N TRP A 43 18.309 20.141 21.827 1.00 10.40 N | |
| ATOM 319 CA TRP A 43 18.773 20.830 23.024 1.00 8.43 C | |
| ATOM 320 C TRP A 43 17.801 20.725 24.189 1.00 9.38 C | |
| ATOM 321 O TRP A 43 16.599 20.589 24.004 1.00 10.29 O | |
| ATOM 322 CB TRP A 43 18.916 22.349 22.770 1.00 8.33 C | |
| ATOM 323 CG TRP A 43 19.989 22.746 21.842 1.00 7.08 C | |
| ATOM 324 CD1 TRP A 43 19.989 22.613 20.492 1.00 8.75 C | |
| ATOM 325 CD2 TRP A 43 21.244 23.292 22.191 1.00 7.08 C | |
| ATOM 326 NE1 TRP A 43 21.189 23.036 19.961 1.00 5.66 N | |
| ATOM 327 CE2 TRP A 43 21.986 23.454 20.988 1.00 7.08 C | |
| ATOM 328 CE3 TRP A 43 21.832 23.656 23.393 1.00 7.63 C | |
| ATOM 329 CZ2 TRP A 43 23.285 23.970 20.963 1.00 7.00 C | |
| ATOM 330 CZ3 TRP A 43 23.098 24.165 23.376 1.00 7.78 C | |
| ATOM 331 CH2 TRP A 43 23.826 24.318 22.161 1.00 7.62 C | |
| ATOM 332 N THR A 44 18.341 20.860 25.397 1.00 6.73 N | |
| ATOM 333 CA THR A 44 17.568 20.872 26.600 1.00 7.41 C | |
| ATOM 334 C THR A 44 18.370 21.803 27.458 1.00 7.32 C | |
| ATOM 335 O THR A 44 19.564 22.051 27.162 1.00 8.30 O | |
| ATOM 336 CB THR A 44 17.477 19.475 27.325 1.00 6.34 C | |
| ATOM 337 OG1 THR A 44 18.768 19.116 27.844 1.00 8.74 O | |
| ATOM 338 CG2 THR A 44 16.965 18.331 26.382 1.00 4.42 C | |
| ATOM 339 N TYR A 45 17.707 22.422 28.434 1.00 6.33 N | |
| ATOM 340 CA TYR A 45 18.383 23.292 29.382 1.00 6.58 C | |
| ATOM 341 C TYR A 45 17.795 22.951 30.738 1.00 6.24 C | |
| ATOM 342 O TYR A 45 16.594 22.894 30.859 1.00 8.16 O | |
| ATOM 343 CB TYR A 45 18.153 24.791 29.123 1.00 6.32 C | |
| ATOM 344 CG TYR A 45 18.630 25.646 30.300 1.00 7.32 C | |
| ATOM 345 CD1 TYR A 45 19.993 25.696 30.649 1.00 6.00 C | |
| ATOM 346 CD2 TYR A 45 17.716 26.386 31.095 1.00 7.75 C | |
| ATOM 347 CE1 TYR A 45 20.434 26.427 31.704 1.00 6.17 C | |
| ATOM 348 CE2 TYR A 45 18.165 27.134 32.159 1.00 8.06 C | |
| ATOM 349 CZ TYR A 45 19.531 27.144 32.461 1.00 6.37 C | |
| ATOM 350 OH TYR A 45 20.003 27.846 33.547 1.00 7.74 O | |
| ATOM 351 N ASP A 46 18.637 22.717 31.736 1.00 6.35 N | |
| ATOM 352 CA ASP A 46 18.189 22.395 33.084 1.00 6.11 C | |
| ATOM 353 C ASP A 46 18.762 23.422 34.046 1.00 7.28 C | |
| ATOM 354 O ASP A 46 19.956 23.402 34.423 1.00 4.29 O | |
| ATOM 355 CB ASP A 46 18.608 20.963 33.468 1.00 7.79 C | |
| ATOM 356 CG ASP A 46 18.147 20.542 34.888 1.00 7.44 C | |
| ATOM 357 OD1 ASP A 46 17.386 21.232 35.591 1.00 5.00 O | |
| ATOM 358 OD2 ASP A 46 18.551 19.448 35.270 1.00 9.02 O | |
| ATOM 359 N ASP A 47 17.863 24.323 34.417 1.00 6.68 N | |
| ATOM 360 CA ASP A 47 18.172 25.408 35.266 1.00 8.65 C | |
| ATOM 361 C ASP A 47 18.635 24.975 36.607 1.00 10.53 C | |
| ATOM 362 O ASP A 47 19.331 25.709 37.256 1.00 10.10 O | |
| ATOM 363 CB ASP A 47 16.952 26.264 35.444 1.00 9.98 C | |
| ATOM 364 CG ASP A 47 17.294 27.588 36.038 1.00 13.07 C | |
| ATOM 365 OD1 ASP A 47 18.182 28.307 35.517 1.00 11.85 O | |
| ATOM 366 OD2 ASP A 47 16.710 27.874 37.084 1.00 14.99 O | |
| ATOM 367 N ALA A 48 18.101 23.853 37.083 1.00 10.72 N | |
| ATOM 368 CA ALA A 48 18.486 23.283 38.379 1.00 9.53 C | |
| ATOM 369 C ALA A 48 19.959 22.961 38.447 1.00 8.82 C | |
| ATOM 370 O ALA A 48 20.523 22.904 39.507 1.00 10.62 O | |
| ATOM 371 CB ALA A 48 17.677 22.025 38.647 1.00 11.11 C | |
| ATOM 372 N THR A 49 20.603 22.757 37.316 1.00 9.51 N | |
| ATOM 373 CA THR A 49 22.029 22.470 37.333 1.00 8.40 C | |
| ATOM 374 C THR A 49 22.748 23.435 36.395 1.00 7.98 C | |
| ATOM 375 O THR A 49 23.941 23.324 36.212 1.00 9.23 O | |
| ATOM 376 CB THR A 49 22.345 20.975 36.913 1.00 8.34 C | |
| ATOM 377 OG1 THR A 49 22.050 20.810 35.525 1.00 6.78 O | |
| ATOM 378 CG2 THR A 49 21.457 19.962 37.702 1.00 6.32 C | |
| ATOM 379 N LYS A 50 22.009 24.371 35.800 1.00 7.05 N | |
| ATOM 380 CA LYS A 50 22.552 25.343 34.873 1.00 8.49 C | |
| ATOM 381 C LYS A 50 23.219 24.646 33.689 1.00 8.72 C | |
| ATOM 382 O LYS A 50 24.189 25.166 33.141 1.00 8.51 O | |
| ATOM 383 CB LYS A 50 23.573 26.291 35.570 1.00 11.17 C | |
| ATOM 384 CG LYS A 50 23.028 27.095 36.711 1.00 10.11 C | |
| ATOM 385 CD LYS A 50 21.867 27.977 36.252 1.00 13.37 C | |
| ATOM 386 CE LYS A 50 21.143 28.680 37.483 1.00 12.12 C | |
| ATOM 387 NZ LYS A 50 20.184 29.770 37.143 1.00 15.16 N | |
| ATOM 388 N THR A 51 22.654 23.514 33.255 1.00 7.92 N | |
| ATOM 389 CA THR A 51 23.221 22.742 32.156 1.00 7.95 C | |
| ATOM 390 C THR A 51 22.435 22.672 30.858 1.00 5.18 C | |
| ATOM 391 O THR A 51 21.235 22.535 30.854 1.00 3.35 O | |
| ATOM 392 CB THR A 51 23.549 21.266 32.600 1.00 8.94 C | |
| ATOM 393 OG1 THR A 51 24.412 21.311 33.730 1.00 10.06 O | |
| ATOM 394 CG2 THR A 51 24.324 20.498 31.477 1.00 11.18 C | |
| ATOM 395 N PHE A 52 23.152 22.808 29.756 1.00 3.88 N | |
| ATOM 396 CA PHE A 52 22.568 22.724 28.431 1.00 5.35 C | |
| ATOM 397 C PHE A 52 23.139 21.448 27.853 1.00 5.94 C | |
| ATOM 398 O PHE A 52 24.298 21.110 28.112 1.00 7.60 O | |
| ATOM 399 CB PHE A 52 23.077 23.828 27.506 1.00 4.56 C | |
| ATOM 400 CG PHE A 52 22.484 25.155 27.766 1.00 5.80 C | |
| ATOM 401 CD1 PHE A 52 22.962 25.955 28.824 1.00 6.35 C | |
| ATOM 402 CD2 PHE A 52 21.488 25.630 26.943 1.00 6.87 C | |
| ATOM 403 CE1 PHE A 52 22.460 27.242 29.066 1.00 6.65 C | |
| ATOM 404 CE2 PHE A 52 20.946 26.900 27.152 1.00 7.62 C | |
| ATOM 405 CZ PHE A 52 21.438 27.729 28.226 1.00 7.28 C | |
| ATOM 406 N THR A 53 22.359 20.748 27.052 1.00 5.79 N | |
| ATOM 407 CA THR A 53 22.885 19.561 26.411 1.00 5.92 C | |
| ATOM 408 C THR A 53 22.419 19.621 24.955 1.00 5.65 C | |
| ATOM 409 O THR A 53 21.309 20.087 24.688 1.00 6.81 O | |
| ATOM 410 CB THR A 53 22.400 18.226 27.067 1.00 5.16 C | |
| ATOM 411 OG1 THR A 53 21.054 17.997 26.672 1.00 9.40 O | |
| ATOM 412 CG2 THR A 53 22.407 18.291 28.569 1.00 5.06 C | |
| ATOM 413 N VAL A 54 23.285 19.248 24.008 1.00 5.98 N | |
| ATOM 414 CA VAL A 54 22.856 19.172 22.598 1.00 5.44 C | |
| ATOM 415 C VAL A 54 23.112 17.708 22.184 1.00 4.77 C | |
| ATOM 416 O VAL A 54 24.161 17.151 22.491 1.00 3.99 O | |
| ATOM 417 CB VAL A 54 23.576 20.167 21.671 1.00 3.09 C | |
| ATOM 418 CG1 VAL A 54 25.091 20.092 21.843 1.00 3.65 C | |
| ATOM 419 CG2 VAL A 54 23.136 19.922 20.206 1.00 5.10 C | |
| ATOM 420 N THR A 55 22.210 17.134 21.421 1.00 5.48 N | |
| ATOM 421 CA THR A 55 22.364 15.731 21.085 1.00 6.69 C | |
| ATOM 422 C THR A 55 22.039 15.472 19.632 1.00 8.52 C | |
| ATOM 423 O THR A 55 20.995 15.860 19.189 1.00 12.30 O | |
| ATOM 424 CB THR A 55 21.406 14.955 21.979 1.00 5.30 C | |
| ATOM 425 OG1 THR A 55 21.786 15.194 23.326 1.00 4.67 O | |
| ATOM 426 CG2 THR A 55 21.441 13.470 21.755 1.00 6.00 C | |
| ATOM 427 N GLU A 56 22.905 14.843 18.864 1.00 8.91 N | |
| ATOM 428 CA GLU A 56 22.553 14.567 17.468 1.00 13.22 C | |
| ATOM 429 C GLU A 56 22.022 13.143 17.330 1.00 13.01 C | |
| ATOM 430 O GLU A 56 22.353 12.301 18.190 1.00 14.55 O | |
| ATOM 431 CB GLU A 56 23.736 14.723 16.538 1.00 13.01 C | |
| ATOM 432 CG GLU A 56 24.277 16.065 16.470 1.00 14.87 C | |
| ATOM 433 CD GLU A 56 25.430 16.161 15.494 1.00 15.68 C | |
| ATOM 434 OE1 GLU A 56 26.403 15.371 15.576 1.00 17.54 O | |
| ATOM 435 OE2 GLU A 56 25.381 17.081 14.664 1.00 18.60 O | |
| ATOM 436 OXT GLU A 56 21.296 12.892 16.369 1.00 15.04 O | |
| TER 437 GLU A 56 | |
| HETATM 438 O HOH A 57 20.045 17.338 24.112 1.00 3.04 O | |
| HETATM 439 O HOH A 58 29.284 15.933 16.005 1.00 3.90 O | |
| HETATM 440 O HOH A 59 30.968 17.869 15.018 0.94 11.86 O | |
| HETATM 441 O HOH A 60 36.384 21.652 27.812 0.96 15.46 O | |
| HETATM 442 O HOH A 61 17.058 34.117 30.636 0.91 16.69 O | |
| HETATM 443 O HOH A 62 27.844 16.414 13.404 1.00 23.36 O | |
| HETATM 444 O HOH A 63 18.404 38.643 27.967 1.00 23.63 O | |
| HETATM 445 O HOH A 64 19.968 31.460 34.797 1.00 23.75 O | |
| HETATM 446 O HOH A 65 18.201 18.566 37.695 0.95 22.19 O | |
| HETATM 447 O HOH A 66 28.632 36.880 26.524 1.00 24.51 O | |
| HETATM 448 O HOH A 67 24.320 18.322 34.892 0.95 23.33 O | |
| HETATM 449 O HOH A 68 34.515 20.297 15.278 0.95 24.44 O | |
| HETATM 450 O HOH A 69 25.264 17.638 11.962 1.00 26.96 O | |
| HETATM 451 O HOH A 70 27.030 30.620 14.393 1.00 30.28 O | |
| HETATM 452 O HOH A 71 34.649 12.834 25.632 0.98 31.24 O | |
| HETATM 453 O HOH A 72 18.195 33.437 33.740 0.88 30.66 O | |
| HETATM 454 O HOH A 73 15.996 28.545 27.866 1.00 38.23 O | |
| HETATM 455 O HOH A 74 22.964 13.047 25.143 0.94 34.64 O | |
| HETATM 456 O HOH A 75 36.309 21.652 20.246 1.00 43.01 O | |
| HETATM 457 O HOH A 76 15.334 21.462 20.777 0.91 37.63 O | |
| MASTER 227 0 0 1 4 0 0 6 456 1 0 5 | |
| END | |