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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
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