HEADER HYDROLASE (NUCLEIC ACID,RNA) 13-AUG-91 8RAT TITLE EFFECTS OF TEMPERATURE ON PROTEIN STRUCTURE AND DYNAMICS: X- TITLE 2 RAY CRYSTALLOGRAPHIC STUDIES OF THE PROTEIN RIBONUCLEASE-A TITLE 3 AT NINE DIFFERENT TEMPERATURES FROM 98 TO 320 K COMPND MOL_ID: 1; COMPND 2 MOLECULE: RIBONUCLEASE A; COMPND 3 CHAIN: A; COMPND 4 EC: 3.1.27.5; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913; SOURCE 5 ORGAN: PANCREAS KEYWDS HYDROLASE (NUCLEIC ACID,RNA) EXPDTA X-RAY DIFFRACTION AUTHOR R.F.TILTONJUNIOR,J.C.DEWAN,G.A.PETSKO REVDAT 3 24-FEB-09 8RAT 1 VERSN REVDAT 2 01-APR-03 8RAT 1 JRNL REVDAT 1 15-JUL-93 8RAT 0 JRNL AUTH R.F.TILTON JR.,J.C.DEWAN,G.A.PETSKO JRNL TITL EFFECTS OF TEMPERATURE ON PROTEIN STRUCTURE AND JRNL TITL 2 DYNAMICS: X-RAY CRYSTALLOGRAPHIC STUDIES OF THE JRNL TITL 3 PROTEIN RIBONUCLEASE-A AT NINE DIFFERENT JRNL TITL 4 TEMPERATURES FROM 98 TO 320 K. JRNL REF BIOCHEMISTRY V. 31 2469 1992 JRNL REFN ISSN 0006-2960 JRNL PMID 1547232 JRNL DOI 10.1021/BI00124A006 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.C.DEWAN,R.F.TILTON REMARK 1 TITL GREATLY REDUCED RADIATION DAMAGE IN RIBONUCLEASE REMARK 1 TITL 2 CRYSTALS MOUNTED ON GLASS FIBERS REMARK 1 REF J.APPL.CRYSTALLOGR. V. 20 130 1987 REMARK 1 REFN ISSN 0021-8898 REMARK 2 REMARK 2 RESOLUTION. 1.50 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) : 1.50 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 14310 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) : 0.158 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 : 951 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 0 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) : 0.023 ; 0.030 REMARK 3 ANGLE DISTANCE (A) : 0.035 ; 0.040 REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.045 ; 0.050 REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : 0.016 ; 0.025 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.158 ; 0.150 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) : 4.500 ; 5.000 REMARK 3 STAGGERED (DEGREES) : 17.100; 15.000 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 8RAT 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: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 43.60 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.18 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,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 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 19.21500 REMARK 290 SMTRY3 2 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: COVALENT BOND LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) 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 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU A 2 CD GLU A 2 OE2 0.067 REMARK 500 GLU A 9 CD GLU A 9 OE1 0.082 REMARK 500 GLU A 49 CD GLU A 49 OE1 0.104 REMARK 500 GLU A 86 CD GLU A 86 OE2 -0.087 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 10 NE - CZ - NH1 ANGL. DEV. = 8.3 DEGREES REMARK 500 ARG A 10 NE - CZ - NH2 ANGL. DEV. = -5.1 DEGREES REMARK 500 ASP A 14 CB - CG - OD2 ANGL. DEV. = -5.7 DEGREES REMARK 500 TYR A 25 CG - CD1 - CE1 ANGL. DEV. = -5.9 DEGREES REMARK 500 ARG A 33 NE - CZ - NH1 ANGL. DEV. = 3.9 DEGREES REMARK 500 ARG A 33 NE - CZ - NH2 ANGL. DEV. = -4.2 DEGREES REMARK 500 PHE A 46 CB - CG - CD1 ANGL. DEV. = -6.1 DEGREES REMARK 500 ASP A 53 CB - CG - OD1 ANGL. DEV. = 7.6 DEGREES REMARK 500 ASP A 83 CB - CG - OD1 ANGL. DEV. = 5.6 DEGREES REMARK 500 ARG A 85 CD - NE - CZ ANGL. DEV. = -8.6 DEGREES REMARK 500 ARG A 85 NE - CZ - NH1 ANGL. DEV. = -3.7 DEGREES REMARK 500 GLU A 86 OE1 - CD - OE2 ANGL. DEV. = 13.4 DEGREES REMARK 500 PHE A 120 CB - CG - CD2 ANGL. DEV. = -4.8 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 GLN A 60 -141.63 -99.42 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 39 0.11 SIDE_CHAIN REMARK 500 ARG A 85 0.20 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 8RAT A 1 124 UNP P61823 RNAS1_BOVIN 27 150 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL HELIX 1 1 THR A 3 MET A 13 1 11 HELIX 2 2 ASN A 24 ARG A 33 1 10 HELIX 3 3 SER A 50 ALA A 56 1 7 HELIX 4 4 VAL A 57 GLN A 60 5 4 SHEET 1 A 3 VAL A 43 VAL A 47 0 SHEET 2 A 3 MET A 79 GLU A 86 -1 O THR A 82 N PHE A 46 SHEET 3 A 3 TYR A 97 LYS A 104 -1 N LYS A 98 O ARG A 85 SHEET 1 B 4 LYS A 61 VAL A 63 0 SHEET 2 B 4 CYS A 72 GLN A 74 -1 O CYS A 72 N VAL A 63 SHEET 3 B 4 ILE A 106 GLU A 111 -1 O VAL A 108 N TYR A 73 SHEET 4 B 4 VAL A 116 SER A 123 -1 O VAL A 116 N GLU A 111 SSBOND 1 CYS A 26 CYS A 84 1555 1555 2.10 SSBOND 2 CYS A 40 CYS A 95 1555 1555 2.12 SSBOND 3 CYS A 58 CYS A 110 1555 1555 2.12 SSBOND 4 CYS A 65 CYS A 72 1555 1555 2.14 CISPEP 1 TYR A 92 PRO A 93 0 4.77 CISPEP 2 ASN A 113 PRO A 114 0 -0.39 CRYST1 30.270 38.430 53.790 90.00 107.09 90.00 P 1 21 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 0.033036 0.000000 0.010157 0.00000 SCALE2 0.000000 0.026021 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019450 0.00000 ATOM 1 N LYS A 1 27.358 45.540 53.677 1.00 24.92 N ATOM 2 CA LYS A 1 27.127 44.310 52.854 1.00 17.04 C ATOM 3 C LYS A 1 26.372 44.733 51.569 1.00 8.25 C ATOM 4 O LYS A 1 26.010 45.885 51.466 1.00 16.79 O ATOM 5 CB LYS A 1 26.375 43.234 53.626 1.00 20.77 C ATOM 6 CG LYS A 1 25.558 43.695 54.808 1.00 45.41 C ATOM 7 CD LYS A 1 25.334 42.465 55.734 1.00 54.06 C ATOM 8 CE LYS A 1 24.252 41.581 55.117 1.00 62.26 C ATOM 9 NZ LYS A 1 23.029 42.427 54.860 1.00 63.92 N ATOM 10 N GLU A 2 26.277 43.733 50.695 1.00 10.07 N ATOM 11 CA GLU A 2 25.583 44.002 49.410 1.00 12.17 C ATOM 12 C GLU A 2 24.188 44.464 49.615 1.00 4.09 C ATOM 13 O GLU A 2 23.435 43.849 50.489 1.00 8.24 O ATOM 14 CB GLU A 2 25.547 42.696 48.638 1.00 11.89 C ATOM 15 CG GLU A 2 24.961 42.734 47.199 1.00 7.12 C ATOM 16 CD GLU A 2 24.982 41.274 46.736 1.00 12.39 C ATOM 17 OE1 GLU A 2 24.821 40.313 47.456 1.00 9.96 O ATOM 18 OE2 GLU A 2 25.256 41.159 45.451 1.00 10.25 O ATOM 19 N THR A 3 23.788 45.540 48.947 1.00 6.42 N ATOM 20 CA THR A 3 22.424 46.078 49.050 1.00 12.22 C ATOM 21 C THR A 3 21.449 45.040 48.381 1.00 17.47 C ATOM 22 O THR A 3 21.823 44.194 47.559 1.00 8.28 O ATOM 23 CB THR A 3 22.265 47.461 48.484 1.00 21.37 C ATOM 24 OG1 THR A 3 22.435 47.307 47.045 1.00 14.24 O ATOM 25 CG2 THR A 3 23.288 48.499 48.998 1.00 17.32 C ATOM 26 N ALA A 4 20.203 45.155 48.793 1.00 10.73 N ATOM 27 CA ALA A 4 19.089 44.348 48.279 1.00 7.75 C ATOM 28 C ALA A 4 19.049 44.656 46.736 1.00 9.38 C ATOM 29 O ALA A 4 18.907 43.656 46.016 1.00 10.04 O ATOM 30 CB ALA A 4 17.794 44.579 48.947 1.00 11.32 C ATOM 31 N ALA A 5 19.251 45.885 46.376 1.00 6.86 N ATOM 32 CA ALA A 5 19.209 46.308 44.937 1.00 13.47 C ATOM 33 C ALA A 5 20.324 45.616 44.165 1.00 10.65 C ATOM 34 O ALA A 5 20.036 45.040 43.034 1.00 7.77 O ATOM 35 CB ALA A 5 19.333 47.768 44.731 1.00 11.80 C ATOM 36 N ALA A 6 21.558 45.655 44.680 1.00 13.18 N ATOM 37 CA ALA A 6 22.702 45.002 44.011 1.00 10.69 C ATOM 38 C ALA A 6 22.506 43.503 43.960 1.00 4.25 C ATOM 39 O ALA A 6 22.973 42.888 42.931 1.00 7.79 O ATOM 40 CB ALA A 6 23.994 45.347 44.731 1.00 9.69 C ATOM 41 N LYS A 7 21.948 42.926 44.988 1.00 4.07 N ATOM 42 CA LYS A 7 21.720 41.428 45.039 1.00 4.74 C ATOM 43 C LYS A 7 20.736 41.043 43.908 1.00 9.25 C ATOM 44 O LYS A 7 20.897 40.006 43.188 1.00 7.06 O ATOM 45 CB LYS A 7 21.127 41.043 46.376 1.00 10.25 C ATOM 46 CG LYS A 7 20.930 39.468 46.428 1.00 11.98 C ATOM 47 CD LYS A 7 20.321 39.275 47.816 1.00 22.85 C ATOM 48 CE LYS A 7 19.201 38.238 47.816 1.00 55.20 C ATOM 49 NZ LYS A 7 18.189 38.622 48.844 1.00 63.65 N ATOM 50 N PHE A 8 19.724 41.889 43.754 1.00 5.50 N ATOM 51 CA PHE A 8 18.754 41.581 42.674 1.00 4.03 C ATOM 52 C PHE A 8 19.498 41.581 41.338 1.00 5.46 C ATOM 53 O PHE A 8 19.236 40.697 40.515 1.00 5.72 O ATOM 54 CB PHE A 8 17.618 42.580 42.726 1.00 7.90 C ATOM 55 CG PHE A 8 16.634 42.427 41.595 1.00 3.47 C ATOM 56 CD1 PHE A 8 16.907 43.080 40.412 1.00 6.17 C ATOM 57 CD2 PHE A 8 15.467 41.735 41.749 1.00 6.73 C ATOM 58 CE1 PHE A 8 16.028 42.926 39.332 1.00 7.41 C ATOM 59 CE2 PHE A 8 14.572 41.543 40.721 1.00 9.60 C ATOM 60 CZ PHE A 8 14.861 42.158 39.487 1.00 3.84 C ATOM 61 N GLU A 9 20.364 42.619 41.080 1.00 3.14 N ATOM 62 CA GLU A 9 21.123 42.657 39.795 1.00 3.21 C ATOM 63 C GLU A 9 21.973 41.428 39.589 1.00 8.48 C ATOM 64 O GLU A 9 22.002 40.813 38.510 1.00 7.93 O ATOM 65 CB GLU A 9 21.987 43.887 39.641 1.00 7.05 C ATOM 66 CG GLU A 9 21.066 45.155 39.487 1.00 13.05 C ATOM 67 CD GLU A 9 21.915 46.423 39.384 1.00 35.43 C ATOM 68 OE1 GLU A 9 23.014 46.193 38.664 1.00 24.51 O ATOM 69 OE2 GLU A 9 21.590 47.461 39.949 1.00 30.16 O ATOM 70 N ARG A 10 22.716 41.005 40.618 1.00 2.47 N ATOM 71 CA ARG A 10 23.549 39.852 40.566 1.00 1.40 C ATOM 72 C ARG A 10 22.765 38.545 40.361 1.00 0.93 C ATOM 73 O ARG A 10 23.228 37.623 39.641 1.00 5.62 O ATOM 74 CB ARG A 10 24.319 39.698 41.903 1.00 7.93 C ATOM 75 CG ARG A 10 25.333 38.545 41.852 1.00 8.69 C ATOM 76 CD ARG A 10 26.195 38.584 43.086 1.00 8.75 C ATOM 77 NE ARG A 10 25.437 38.661 44.371 1.00 5.97 N ATOM 78 CZ ARG A 10 25.005 37.585 44.988 1.00 14.67 C ATOM 79 NH1 ARG A 10 25.071 36.278 44.577 1.00 11.24 N ATOM 80 NH2 ARG A 10 24.339 37.815 46.171 1.00 9.01 N ATOM 81 N GLN A 11 21.680 38.353 41.132 1.00 4.03 N ATOM 82 CA GLN A 11 20.910 37.162 40.978 1.00 6.40 C ATOM 83 C GLN A 11 20.064 37.008 39.692 1.00 2.37 C ATOM 84 O GLN A 11 19.828 35.894 39.281 1.00 6.31 O ATOM 85 CB GLN A 11 19.911 36.970 42.160 1.00 7.32 C ATOM 86 CG GLN A 11 20.621 36.547 43.394 1.00 20.36 C ATOM 87 CD GLN A 11 19.729 36.047 44.525 1.00 28.58 C ATOM 88 OE1 GLN A 11 18.519 36.201 44.422 1.00 21.31 O ATOM 89 NE2 GLN A 11 20.397 35.509 45.502 1.00 31.34 N ATOM 90 N HIS A 12 19.541 38.161 39.230 1.00 3.39 N ATOM 91 CA HIS A 12 18.541 38.123 38.150 1.00 4.01 C ATOM 92 C HIS A 12 18.815 38.814 36.864 1.00 10.89 C ATOM 93 O HIS A 12 18.026 38.545 35.888 1.00 10.07 O ATOM 94 CB HIS A 12 17.201 38.699 38.767 1.00 7.11 C ATOM 95 CG HIS A 12 16.747 37.892 39.949 1.00 5.34 C ATOM 96 ND1 HIS A 12 16.369 36.547 39.898 1.00 3.74 N ATOM 97 CD2 HIS A 12 16.669 38.315 41.286 1.00 8.60 C ATOM 98 CE1 HIS A 12 16.020 36.201 41.132 1.00 7.79 C ATOM 99 NE2 HIS A 12 16.175 37.200 42.006 1.00 5.90 N ATOM 100 N MET A 13 19.831 39.621 36.710 1.00 5.89 N ATOM 101 CA MET A 13 20.014 40.390 35.425 1.00 4.60 C ATOM 102 C MET A 13 21.040 39.852 34.551 1.00 5.21 C ATOM 103 O MET A 13 22.185 39.583 34.962 1.00 6.77 O ATOM 104 CB MET A 13 20.327 41.850 35.785 1.00 4.19 C ATOM 105 CG MET A 13 19.276 42.696 36.350 1.00 8.11 C ATOM 106 SD MET A 13 17.744 42.773 35.425 1.00 8.72 S ATOM 107 CE MET A 13 18.507 43.387 33.831 1.00 9.43 C ATOM 108 N ASP A 14 20.755 39.698 33.214 1.00 4.36 N ATOM 109 CA ASP A 14 21.796 39.314 32.289 1.00 5.29 C ATOM 110 C ASP A 14 21.571 40.159 30.952 1.00 7.51 C ATOM 111 O ASP A 14 21.008 39.544 30.026 1.00 7.33 O ATOM 112 CB ASP A 14 21.921 37.815 31.980 1.00 5.83 C ATOM 113 CG ASP A 14 23.099 37.585 31.003 1.00 11.37 C ATOM 114 OD1 ASP A 14 23.874 38.507 30.746 1.00 7.29 O ATOM 115 OD2 ASP A 14 23.076 36.470 30.489 1.00 11.27 O ATOM 116 N SER A 15 22.009 41.351 31.003 1.00 4.74 N ATOM 117 CA SER A 15 21.858 42.273 29.821 1.00 8.52 C ATOM 118 C SER A 15 22.796 41.927 28.741 1.00 10.16 C ATOM 119 O SER A 15 22.659 42.542 27.610 1.00 9.33 O ATOM 120 CB SER A 15 22.185 43.733 30.335 1.00 5.48 C ATOM 121 OG SER A 15 21.188 44.041 31.312 1.00 24.30 O ATOM 122 N SER A 16 23.731 41.043 28.947 1.00 9.24 N ATOM 123 CA SER A 16 24.789 40.697 27.970 1.00 12.04 C ATOM 124 C SER A 16 24.380 39.737 26.839 1.00 10.26 C ATOM 125 O SER A 16 25.134 39.583 25.862 1.00 16.99 O ATOM 126 CB SER A 16 26.004 40.044 28.741 1.00 21.14 C ATOM 127 OG SER A 16 25.715 38.661 28.895 1.00 22.63 O ATOM 128 N THR A 17 23.257 39.122 27.044 1.00 7.59 N ATOM 129 CA THR A 17 22.740 38.123 26.067 1.00 7.90 C ATOM 130 C THR A 17 21.244 38.392 25.913 1.00 10.60 C ATOM 131 O THR A 17 20.596 38.891 26.839 1.00 9.45 O ATOM 132 CB THR A 17 23.052 36.662 26.530 1.00 13.51 C ATOM 133 OG1 THR A 17 22.295 36.393 27.713 1.00 12.77 O ATOM 134 CG2 THR A 17 24.532 36.470 26.736 1.00 22.76 C ATOM 135 N SER A 18 20.729 38.007 24.731 1.00 10.70 N ATOM 136 CA SER A 18 19.311 38.199 24.422 1.00 12.78 C ATOM 137 C SER A 18 18.487 37.047 24.936 1.00 5.26 C ATOM 138 O SER A 18 17.303 37.162 25.142 1.00 8.51 O ATOM 139 CB SER A 18 19.012 38.430 22.931 1.00 12.53 C ATOM 140 OG SER A 18 19.900 37.546 22.211 1.00 26.52 O ATOM 141 N ALA A 19 19.242 35.894 25.039 1.00 6.59 N ATOM 142 CA ALA A 19 18.571 34.664 25.450 1.00 10.11 C ATOM 143 C ALA A 19 19.671 33.626 25.810 1.00 8.07 C ATOM 144 O ALA A 19 20.841 33.818 25.450 1.00 13.75 O ATOM 145 CB ALA A 19 17.616 34.126 24.422 1.00 11.69 C ATOM 146 N ALA A 20 19.223 32.589 26.479 1.00 6.51 N ATOM 147 CA ALA A 20 20.172 31.513 26.839 1.00 4.73 C ATOM 148 C ALA A 20 20.569 30.821 25.450 1.00 9.90 C ATOM 149 O ALA A 20 19.609 30.513 24.731 1.00 13.94 O ATOM 150 CB ALA A 20 19.449 30.513 27.713 1.00 6.96 C ATOM 151 N SER A 21 21.797 30.590 25.296 1.00 9.67 N ATOM 152 CA SER A 21 22.313 30.014 24.011 1.00 30.44 C ATOM 153 C SER A 21 22.647 28.553 23.908 1.00 22.25 C ATOM 154 O SER A 21 22.858 27.977 22.828 1.00 14.55 O ATOM 155 CB SER A 21 23.500 30.859 23.497 1.00 15.95 C ATOM 156 OG SER A 21 24.687 30.706 24.165 1.00 34.70 O ATOM 157 N SER A 22 22.663 27.862 25.039 1.00 9.88 N ATOM 158 CA SER A 22 22.919 26.401 25.090 1.00 10.22 C ATOM 159 C SER A 22 22.296 25.863 26.427 1.00 14.75 C ATOM 160 O SER A 22 21.967 26.670 27.301 1.00 8.40 O ATOM 161 CB SER A 22 24.388 26.056 25.039 1.00 11.49 C ATOM 162 OG SER A 22 25.052 26.209 26.324 1.00 10.65 O ATOM 163 N SER A 23 22.129 24.595 26.479 1.00 7.72 N ATOM 164 CA SER A 23 21.584 23.903 27.661 1.00 7.60 C ATOM 165 C SER A 23 22.476 24.172 28.895 1.00 6.10 C ATOM 166 O SER A 23 21.916 23.980 30.026 1.00 9.35 O ATOM 167 CB SER A 23 21.435 22.366 27.456 1.00 14.05 C ATOM 168 OG SER A 23 22.709 21.828 27.250 1.00 13.88 O ATOM 169 N ASN A 24 23.704 24.595 28.741 1.00 6.79 N ATOM 170 CA ASN A 24 24.597 24.826 29.872 1.00 8.49 C ATOM 171 C ASN A 24 24.514 26.248 30.438 1.00 6.19 C ATOM 172 O ASN A 24 25.319 26.517 31.363 1.00 7.28 O ATOM 173 CB ASN A 24 26.056 24.480 29.461 1.00 13.37 C ATOM 174 CG ASN A 24 26.201 22.981 29.872 1.00 45.79 C ATOM 175 OD1 ASN A 24 26.216 22.674 31.106 1.00 41.77 O ATOM 176 ND2 ASN A 24 26.215 22.213 28.844 1.00 31.84 N ATOM 177 N TYR A 25 23.659 27.055 29.872 1.00 5.92 N ATOM 178 CA TYR A 25 23.547 28.438 30.335 1.00 4.16 C ATOM 179 C TYR A 25 23.345 28.515 31.877 1.00 9.39 C ATOM 180 O TYR A 25 24.153 29.168 32.597 1.00 4.66 O ATOM 181 CB TYR A 25 22.376 29.130 29.615 1.00 2.28 C ATOM 182 CG TYR A 25 22.187 30.590 30.129 1.00 4.71 C ATOM 183 CD1 TYR A 25 23.027 31.628 29.564 1.00 5.46 C ATOM 184 CD2 TYR A 25 21.251 30.821 31.106 1.00 6.91 C ATOM 185 CE1 TYR A 25 22.809 32.935 30.078 1.00 4.36 C ATOM 186 CE2 TYR A 25 21.139 32.127 31.569 1.00 9.92 C ATOM 187 CZ TYR A 25 21.903 33.165 31.055 1.00 8.11 C ATOM 188 OH TYR A 25 21.668 34.433 31.620 1.00 9.98 O ATOM 189 N CYS A 26 22.339 27.862 32.391 1.00 3.61 N ATOM 190 CA CYS A 26 22.018 27.862 33.831 1.00 11.14 C ATOM 191 C CYS A 26 23.173 27.324 34.602 1.00 6.01 C ATOM 192 O CYS A 26 23.553 28.015 35.631 1.00 4.64 O ATOM 193 CB CYS A 26 20.712 27.093 34.139 1.00 6.42 C ATOM 194 SG CYS A 26 19.311 27.977 33.677 1.00 6.42 S ATOM 195 N ASN A 27 23.738 26.171 34.242 1.00 5.41 N ATOM 196 CA ASN A 27 24.893 25.710 35.014 1.00 4.33 C ATOM 197 C ASN A 27 25.951 26.747 35.116 1.00 10.50 C ATOM 198 O ASN A 27 26.527 26.939 36.196 1.00 10.77 O ATOM 199 CB ASN A 27 25.417 24.403 34.294 1.00 5.89 C ATOM 200 CG ASN A 27 24.446 23.289 34.499 1.00 9.63 C ATOM 201 OD1 ASN A 27 23.572 23.289 35.373 1.00 9.20 O ATOM 202 ND2 ASN A 27 24.579 22.289 33.574 1.00 15.24 N ATOM 203 N GLN A 28 26.374 27.401 34.037 1.00 5.43 N ATOM 204 CA GLN A 28 27.419 28.400 33.985 1.00 8.93 C ATOM 205 C GLN A 28 27.045 29.630 34.808 1.00 4.34 C ATOM 206 O GLN A 28 27.898 30.091 35.579 1.00 8.59 O ATOM 207 CB GLN A 28 27.846 28.784 32.597 1.00 12.97 C ATOM 208 CG GLN A 28 28.792 27.708 31.980 1.00 59.28 C ATOM 209 CD GLN A 28 28.478 27.324 30.540 1.00 60.53 C ATOM 210 OE1 GLN A 28 27.747 27.977 29.769 1.00 38.56 O ATOM 211 NE2 GLN A 28 29.089 26.209 30.129 1.00 60.02 N ATOM 212 N MET A 29 25.867 30.168 34.602 1.00 5.54 N ATOM 213 CA MET A 29 25.435 31.436 35.219 1.00 6.27 C ATOM 214 C MET A 29 25.173 31.282 36.762 1.00 7.34 C ATOM 215 O MET A 29 25.572 32.166 37.533 1.00 9.19 O ATOM 216 CB MET A 29 24.218 31.974 34.551 1.00 7.85 C ATOM 217 CG MET A 29 24.463 32.473 33.163 1.00 9.19 C ATOM 218 SD MET A 29 25.585 33.857 33.060 1.00 16.66 S ATOM 219 CE MET A 29 24.589 35.048 33.934 1.00 20.63 C ATOM 220 N MET A 30 24.548 30.168 37.122 1.00 3.44 N ATOM 221 CA MET A 30 24.271 29.975 38.613 1.00 6.77 C ATOM 222 C MET A 30 25.624 29.975 39.332 1.00 11.99 C ATOM 223 O MET A 30 25.669 30.513 40.463 1.00 8.73 O ATOM 224 CB MET A 30 23.481 28.707 38.818 1.00 5.61 C ATOM 225 CG MET A 30 22.096 28.784 38.304 1.00 7.99 C ATOM 226 SD MET A 30 20.949 29.899 39.178 1.00 6.95 S ATOM 227 CE MET A 30 20.656 29.092 40.721 1.00 7.08 C ATOM 228 N LYS A 31 26.570 29.322 38.715 1.00 7.67 N ATOM 229 CA LYS A 31 27.910 29.245 39.281 1.00 6.17 C ATOM 230 C LYS A 31 28.590 30.590 39.332 1.00 10.30 C ATOM 231 O LYS A 31 29.107 31.128 40.309 1.00 10.21 O ATOM 232 CB LYS A 31 28.736 28.169 38.561 1.00 9.43 C ATOM 233 CG LYS A 31 30.230 28.208 38.921 1.00 21.87 C ATOM 234 CD LYS A 31 30.423 27.823 40.361 1.00 41.77 C ATOM 235 CE LYS A 31 31.839 27.823 40.875 1.00 71.47 C ATOM 236 NZ LYS A 31 31.865 27.708 42.366 1.00 56.33 N ATOM 237 N SER A 32 28.742 31.244 38.150 1.00 8.11 N ATOM 238 CA SER A 32 29.425 32.512 37.996 1.00 5.94 C ATOM 239 C SER A 32 28.809 33.665 38.818 1.00 2.21 C ATOM 240 O SER A 32 29.606 34.625 39.178 1.00 11.58 O ATOM 241 CB SER A 32 29.596 32.819 36.453 1.00 15.37 C ATOM 242 OG SER A 32 28.378 33.280 35.888 1.00 18.90 O ATOM 243 N ARG A 33 27.549 33.588 39.075 1.00 7.29 N ATOM 244 CA ARG A 33 26.888 34.664 39.847 1.00 9.16 C ATOM 245 C ARG A 33 26.838 34.395 41.389 1.00 8.20 C ATOM 246 O ARG A 33 26.147 35.087 42.160 1.00 8.19 O ATOM 247 CB ARG A 33 25.472 34.933 39.332 1.00 6.47 C ATOM 248 CG ARG A 33 25.461 35.509 37.893 1.00 3.83 C ATOM 249 CD ARG A 33 26.051 36.893 37.944 1.00 6.47 C ATOM 250 NE ARG A 33 25.977 37.508 36.607 1.00 10.30 N ATOM 251 CZ ARG A 33 24.893 38.161 36.196 1.00 12.40 C ATOM 252 NH1 ARG A 33 23.808 38.392 36.967 1.00 7.24 N ATOM 253 NH2 ARG A 33 24.880 38.545 34.859 1.00 9.95 N ATOM 254 N ASN A 34 27.591 33.319 41.697 1.00 4.18 N ATOM 255 CA ASN A 34 27.739 32.896 43.086 1.00 8.70 C ATOM 256 C ASN A 34 26.474 32.473 43.754 1.00 11.14 C ATOM 257 O ASN A 34 26.412 32.550 45.039 1.00 12.44 O ATOM 258 CB ASN A 34 28.515 34.011 43.908 1.00 13.07 C ATOM 259 CG ASN A 34 29.989 34.011 43.446 1.00 37.43 C ATOM 260 OD1 ASN A 34 30.465 35.087 42.983 1.00 49.25 O ATOM 261 ND2 ASN A 34 30.668 32.896 43.600 1.00 41.15 N ATOM 262 N LEU A 35 25.499 31.935 43.086 1.00 6.16 N ATOM 263 CA LEU A 35 24.250 31.436 43.703 1.00 9.88 C ATOM 264 C LEU A 35 24.334 30.052 44.217 1.00 15.83 C ATOM 265 O LEU A 35 23.356 29.668 44.937 1.00 18.95 O ATOM 266 CB LEU A 35 23.129 31.589 42.623 1.00 6.33 C ATOM 267 CG LEU A 35 23.151 33.050 42.057 1.00 11.59 C ATOM 268 CD1 LEU A 35 22.244 33.165 40.875 1.00 11.07 C ATOM 269 CD2 LEU A 35 22.834 34.011 43.188 1.00 12.35 C ATOM 270 N THR A 36 25.382 29.322 43.960 1.00 6.96 N ATOM 271 CA THR A 36 25.542 27.900 44.422 1.00 8.92 C ATOM 272 C THR A 36 26.679 27.785 45.451 1.00 7.84 C ATOM 273 O THR A 36 27.160 26.670 45.656 1.00 14.97 O ATOM 274 CB THR A 36 25.785 26.978 43.240 1.00 12.48 C ATOM 275 OG1 THR A 36 27.018 27.324 42.674 1.00 11.14 O ATOM 276 CG2 THR A 36 24.694 27.016 42.160 1.00 14.10 C ATOM 277 N LYS A 37 27.050 28.938 46.016 1.00 13.68 N ATOM 278 CA LYS A 37 28.188 28.976 46.942 1.00 21.21 C ATOM 279 C LYS A 37 27.884 28.246 48.227 1.00 5.84 C ATOM 280 O LYS A 37 28.742 27.362 48.587 1.00 16.93 O ATOM 281 CB LYS A 37 28.609 30.437 47.147 1.00 21.93 C ATOM 282 CG LYS A 37 29.933 30.744 47.764 1.00 49.23 C ATOM 283 CD LYS A 37 29.909 32.127 48.433 1.00 39.37 C ATOM 284 CE LYS A 37 30.588 32.127 49.770 1.00 41.31 C ATOM 285 NZ LYS A 37 29.636 31.589 50.798 1.00 52.49 N ATOM 286 N ASP A 38 26.756 28.477 48.844 1.00 9.77 N ATOM 287 CA ASP A 38 26.451 27.823 50.129 1.00 8.63 C ATOM 288 C ASP A 38 25.621 26.555 49.975 1.00 10.39 C ATOM 289 O ASP A 38 25.624 25.633 50.849 1.00 10.49 O ATOM 290 CB ASP A 38 25.773 28.861 51.055 1.00 12.42 C ATOM 291 CG ASP A 38 26.721 29.975 51.518 1.00 36.59 C ATOM 292 OD1 ASP A 38 27.819 29.591 51.980 1.00 25.24 O ATOM 293 OD2 ASP A 38 26.357 31.128 51.518 1.00 42.90 O ATOM 294 N ARG A 39 24.787 26.555 48.947 1.00 8.13 N ATOM 295 CA ARG A 39 23.897 25.402 48.690 1.00 4.79 C ATOM 296 C ARG A 39 23.401 25.594 47.250 1.00 8.59 C ATOM 297 O ARG A 39 23.636 26.670 46.685 1.00 6.97 O ATOM 298 CB ARG A 39 22.689 25.518 49.667 1.00 10.77 C ATOM 299 CG ARG A 39 21.994 26.901 49.564 1.00 16.50 C ATOM 300 CD ARG A 39 21.162 27.285 50.695 1.00 32.20 C ATOM 301 NE ARG A 39 19.727 27.093 50.438 1.00 53.79 N ATOM 302 CZ ARG A 39 18.932 28.015 49.872 1.00 46.58 C ATOM 303 NH1 ARG A 39 19.189 29.322 49.924 1.00 59.46 N ATOM 304 NH2 ARG A 39 17.805 27.593 49.307 1.00 52.00 N ATOM 305 N CYS A 40 22.772 24.557 46.736 1.00 4.40 N ATOM 306 CA CYS A 40 22.170 24.672 45.348 1.00 5.33 C ATOM 307 C CYS A 40 20.835 25.402 45.554 1.00 6.34 C ATOM 308 O CYS A 40 19.874 24.903 46.119 1.00 8.50 O ATOM 309 CB CYS A 40 22.011 23.289 44.782 1.00 7.62 C ATOM 310 SG CYS A 40 23.420 22.251 44.628 1.00 9.74 S ATOM 311 N LYS A 41 20.782 26.594 45.039 1.00 9.71 N ATOM 312 CA LYS A 41 19.510 27.401 45.039 1.00 6.04 C ATOM 313 C LYS A 41 18.614 26.632 44.114 1.00 11.61 C ATOM 314 O LYS A 41 19.113 26.325 42.983 1.00 13.34 O ATOM 315 CB LYS A 41 19.759 28.822 44.525 1.00 11.18 C ATOM 316 CG LYS A 41 18.532 29.745 44.577 1.00 27.79 C ATOM 317 CD LYS A 41 18.931 31.167 44.165 1.00 21.73 C ATOM 318 CE LYS A 41 17.723 32.051 43.960 1.00 48.07 C ATOM 319 NZ LYS A 41 18.139 33.396 43.394 1.00 46.07 N ATOM 320 N PRO A 42 17.459 26.209 44.525 1.00 7.49 N ATOM 321 CA PRO A 42 16.636 25.287 43.754 1.00 14.78 C ATOM 322 C PRO A 42 16.109 25.863 42.417 1.00 7.69 C ATOM 323 O PRO A 42 15.939 25.056 41.492 1.00 9.28 O ATOM 324 CB PRO A 42 15.459 24.864 44.628 1.00 17.44 C ATOM 325 CG PRO A 42 15.489 25.748 45.811 1.00 19.23 C ATOM 326 CD PRO A 42 16.836 26.440 45.862 1.00 10.83 C ATOM 327 N VAL A 43 15.790 27.132 42.469 1.00 8.59 N ATOM 328 CA VAL A 43 15.185 27.785 41.286 1.00 9.32 C ATOM 329 C VAL A 43 15.731 29.207 41.183 1.00 7.05 C ATOM 330 O VAL A 43 15.990 29.822 42.212 1.00 10.82 O ATOM 331 CB VAL A 43 13.670 27.746 41.389 1.00 12.60 C ATOM 332 CG1 VAL A 43 13.033 26.363 41.492 1.00 21.48 C ATOM 333 CG2 VAL A 43 13.141 28.592 42.520 1.00 18.25 C ATOM 334 N ASN A 44 15.853 29.706 40.001 1.00 6.12 N ATOM 335 CA ASN A 44 16.310 31.090 39.795 1.00 6.77 C ATOM 336 C ASN A 44 15.828 31.551 38.407 1.00 7.53 C ATOM 337 O ASN A 44 15.780 30.667 37.481 1.00 8.79 O ATOM 338 CB ASN A 44 17.882 31.205 39.898 1.00 5.64 C ATOM 339 CG ASN A 44 18.199 32.704 39.949 1.00 11.08 C ATOM 340 OD1 ASN A 44 17.508 33.396 40.721 1.00 11.17 O ATOM 341 ND2 ASN A 44 19.058 33.242 39.127 1.00 6.53 N ATOM 342 N THR A 45 15.513 32.781 38.253 1.00 4.11 N ATOM 343 CA THR A 45 15.152 33.357 36.864 1.00 3.85 C ATOM 344 C THR A 45 16.125 34.472 36.556 1.00 10.94 C ATOM 345 O THR A 45 16.447 35.317 37.379 1.00 4.73 O ATOM 346 CB THR A 45 13.698 33.934 36.967 1.00 10.74 C ATOM 347 OG1 THR A 45 12.845 32.935 37.379 1.00 9.40 O ATOM 348 CG2 THR A 45 13.217 34.510 35.579 1.00 11.53 C ATOM 349 N PHE A 46 16.611 34.510 35.271 1.00 3.83 N ATOM 350 CA PHE A 46 17.496 35.509 34.756 1.00 2.35 C ATOM 351 C PHE A 46 16.661 36.393 33.728 1.00 5.52 C ATOM 352 O PHE A 46 15.900 35.778 32.957 1.00 6.74 O ATOM 353 CB PHE A 46 18.776 35.048 34.037 1.00 3.22 C ATOM 354 CG PHE A 46 19.747 34.433 35.014 1.00 1.98 C ATOM 355 CD1 PHE A 46 20.571 35.356 35.682 1.00 9.02 C ATOM 356 CD2 PHE A 46 19.789 33.088 35.271 1.00 2.78 C ATOM 357 CE1 PHE A 46 21.528 34.856 36.607 1.00 9.68 C ATOM 358 CE2 PHE A 46 20.716 32.550 36.196 1.00 8.17 C ATOM 359 CZ PHE A 46 21.570 33.434 36.864 1.00 11.50 C ATOM 360 N VAL A 47 16.964 37.623 33.728 1.00 2.79 N ATOM 361 CA VAL A 47 16.219 38.584 32.803 1.00 2.97 C ATOM 362 C VAL A 47 17.230 39.160 31.877 1.00 5.72 C ATOM 363 O VAL A 47 18.225 39.737 32.186 1.00 6.15 O ATOM 364 CB VAL A 47 15.466 39.621 33.677 1.00 9.28 C ATOM 365 CG1 VAL A 47 14.647 40.544 32.700 1.00 4.76 C ATOM 366 CG2 VAL A 47 14.590 39.045 34.756 1.00 6.01 C ATOM 367 N HIS A 48 16.915 38.968 30.540 1.00 6.55 N ATOM 368 CA HIS A 48 17.747 39.391 29.409 1.00 3.99 C ATOM 369 C HIS A 48 17.301 40.697 28.792 1.00 13.45 C ATOM 370 O HIS A 48 16.847 40.736 27.610 1.00 10.83 O ATOM 371 CB HIS A 48 17.625 38.276 28.330 1.00 2.86 C ATOM 372 CG HIS A 48 18.117 36.970 28.895 1.00 5.51 C ATOM 373 ND1 HIS A 48 19.492 36.854 29.049 1.00 8.60 N ATOM 374 CD2 HIS A 48 17.493 35.817 29.152 1.00 11.72 C ATOM 375 CE1 HIS A 48 19.638 35.586 29.461 1.00 13.30 C ATOM 376 NE2 HIS A 48 18.487 34.933 29.564 1.00 6.92 N ATOM 377 N GLU A 49 17.321 41.735 29.615 1.00 9.36 N ATOM 378 CA GLU A 49 16.902 43.080 29.204 1.00 6.53 C ATOM 379 C GLU A 49 17.802 44.118 29.821 1.00 4.04 C ATOM 380 O GLU A 49 18.577 43.772 30.746 1.00 11.16 O ATOM 381 CB GLU A 49 15.457 43.272 29.769 1.00 9.67 C ATOM 382 CG GLU A 49 14.388 42.311 29.306 1.00 7.13 C ATOM 383 CD GLU A 49 13.953 42.350 27.867 1.00 11.37 C ATOM 384 OE1 GLU A 49 14.356 43.426 27.147 1.00 16.34 O ATOM 385 OE2 GLU A 49 13.340 41.466 27.301 1.00 7.65 O ATOM 386 N SER A 50 17.702 45.386 29.358 1.00 5.62 N ATOM 387 CA SER A 50 18.526 46.423 30.026 1.00 6.77 C ATOM 388 C SER A 50 18.007 46.616 31.517 1.00 5.60 C ATOM 389 O SER A 50 16.823 46.462 31.826 1.00 7.41 O ATOM 390 CB SER A 50 18.445 47.768 29.306 1.00 8.47 C ATOM 391 OG SER A 50 17.142 48.268 29.409 1.00 12.97 O ATOM 392 N LEU A 51 18.995 47.000 32.340 1.00 5.84 N ATOM 393 CA LEU A 51 18.674 47.269 33.780 1.00 7.83 C ATOM 394 C LEU A 51 17.643 48.345 33.882 1.00 8.97 C ATOM 395 O LEU A 51 16.680 48.307 34.654 1.00 10.99 O ATOM 396 CB LEU A 51 19.951 47.576 34.448 1.00 11.95 C ATOM 397 CG LEU A 51 20.235 47.154 35.888 1.00 40.02 C ATOM 398 CD1 LEU A 51 21.000 48.307 36.453 1.00 13.43 C ATOM 399 CD2 LEU A 51 19.030 46.692 36.659 1.00 12.40 C ATOM 400 N ALA A 52 17.775 49.421 33.060 1.00 9.24 N ATOM 401 CA ALA A 52 16.776 50.497 33.060 1.00 14.02 C ATOM 402 C ALA A 52 15.372 50.036 32.803 1.00 5.08 C ATOM 403 O ALA A 52 14.349 50.535 33.471 1.00 9.83 O ATOM 404 CB ALA A 52 17.259 51.535 31.980 1.00 7.08 C ATOM 405 N ASP A 53 15.156 49.075 31.929 1.00 3.15 N ATOM 406 CA ASP A 53 13.813 48.576 31.672 1.00 8.07 C ATOM 407 C ASP A 53 13.253 47.730 32.803 1.00 5.35 C ATOM 408 O ASP A 53 12.009 47.768 33.008 1.00 9.78 O ATOM 409 CB ASP A 53 13.739 47.768 30.335 1.00 10.46 C ATOM 410 CG ASP A 53 13.907 48.576 29.101 1.00 22.96 C ATOM 411 OD1 ASP A 53 14.013 49.805 29.049 1.00 16.29 O ATOM 412 OD2 ASP A 53 13.981 47.884 28.073 1.00 16.07 O ATOM 413 N VAL A 54 14.152 47.077 33.522 1.00 5.00 N ATOM 414 CA VAL A 54 13.653 46.270 34.654 1.00 4.63 C ATOM 415 C VAL A 54 13.350 47.269 35.836 1.00 6.99 C ATOM 416 O VAL A 54 12.371 47.038 36.556 1.00 6.42 O ATOM 417 CB VAL A 54 14.601 45.155 35.014 1.00 7.06 C ATOM 418 CG1 VAL A 54 14.115 44.425 36.299 1.00 3.50 C ATOM 419 CG2 VAL A 54 14.632 44.118 33.831 1.00 10.09 C ATOM 420 N GLN A 55 14.255 48.191 36.042 1.00 5.67 N ATOM 421 CA GLN A 55 13.953 49.229 37.122 1.00 7.99 C ATOM 422 C GLN A 55 12.624 49.921 36.916 1.00 7.23 C ATOM 423 O GLN A 55 11.886 50.228 37.841 1.00 8.33 O ATOM 424 CB GLN A 55 15.072 50.228 37.224 1.00 6.45 C ATOM 425 CG GLN A 55 16.367 49.652 37.739 1.00 5.53 C ATOM 426 CD GLN A 55 17.536 50.612 37.481 1.00 11.51 C ATOM 427 OE1 GLN A 55 17.562 51.419 36.607 1.00 17.35 O ATOM 428 NE2 GLN A 55 18.538 50.420 38.355 1.00 11.40 N ATOM 429 N ALA A 56 12.293 50.228 35.631 1.00 5.51 N ATOM 430 CA ALA A 56 11.025 50.920 35.322 1.00 11.71 C ATOM 431 C ALA A 56 9.793 50.113 35.785 1.00 14.06 C ATOM 432 O ALA A 56 8.702 50.728 35.888 1.00 9.68 O ATOM 433 CB ALA A 56 11.014 51.304 33.882 1.00 9.33 C ATOM 434 N VAL A 57 9.896 48.806 36.042 1.00 6.13 N ATOM 435 CA VAL A 57 8.740 48.037 36.453 1.00 5.90 C ATOM 436 C VAL A 57 8.118 48.576 37.790 1.00 3.33 C ATOM 437 O VAL A 57 6.874 48.460 37.996 1.00 10.69 O ATOM 438 CB VAL A 57 8.983 46.500 36.453 1.00 3.69 C ATOM 439 CG1 VAL A 57 7.813 45.616 36.813 1.00 8.87 C ATOM 440 CG2 VAL A 57 9.455 46.078 35.014 1.00 6.21 C ATOM 441 N CYS A 58 9.031 49.152 38.561 1.00 7.02 N ATOM 442 CA CYS A 58 8.529 49.728 39.898 1.00 8.89 C ATOM 443 C CYS A 58 7.531 50.843 39.795 1.00 10.58 C ATOM 444 O CYS A 58 6.943 51.266 40.823 1.00 11.08 O ATOM 445 CB CYS A 58 9.713 50.113 40.772 1.00 6.86 C ATOM 446 SG CYS A 58 10.797 48.768 41.183 1.00 7.87 S ATOM 447 N SER A 59 7.336 51.342 38.561 1.00 10.34 N ATOM 448 CA SER A 59 6.355 52.419 38.304 1.00 11.42 C ATOM 449 C SER A 59 5.262 51.880 37.430 1.00 13.53 C ATOM 450 O SER A 59 4.481 52.726 36.916 1.00 16.77 O ATOM 451 CB SER A 59 7.029 53.648 37.687 1.00 15.34 C ATOM 452 OG SER A 59 7.395 53.456 36.299 1.00 24.85 O ATOM 453 N GLN A 60 5.188 50.535 37.276 1.00 11.85 N ATOM 454 CA GLN A 60 4.109 49.921 36.453 1.00 12.56 C ATOM 455 C GLN A 60 2.964 49.383 37.224 1.00 13.44 C ATOM 456 O GLN A 60 2.512 50.113 38.201 1.00 12.61 O ATOM 457 CB GLN A 60 4.758 48.998 35.425 1.00 5.92 C ATOM 458 CG GLN A 60 5.664 49.767 34.448 1.00 13.82 C ATOM 459 CD GLN A 60 6.554 48.883 33.522 1.00 8.33 C ATOM 460 OE1 GLN A 60 6.375 47.730 33.317 1.00 12.19 O ATOM 461 NE2 GLN A 60 7.620 49.536 33.008 1.00 16.12 N ATOM 462 N LYS A 61 2.363 48.307 36.916 1.00 9.54 N ATOM 463 CA LYS A 61 1.188 47.768 37.584 1.00 12.14 C ATOM 464 C LYS A 61 1.381 47.230 39.024 1.00 9.10 C ATOM 465 O LYS A 61 2.016 46.154 39.127 1.00 13.38 O ATOM 466 CB LYS A 61 0.473 46.654 36.762 1.00 19.74 C ATOM 467 CG LYS A 61 -0.928 46.347 37.379 1.00 27.04 C ATOM 468 CD LYS A 61 -1.763 45.463 36.453 1.00 40.68 C ATOM 469 CE LYS A 61 -3.118 45.155 37.019 1.00 42.57 C ATOM 470 NZ LYS A 61 -3.702 46.347 37.739 1.00 32.56 N ATOM 471 N ASN A 62 0.825 47.922 39.949 1.00 12.62 N ATOM 472 CA ASN A 62 0.927 47.499 41.389 1.00 14.26 C ATOM 473 C ASN A 62 0.046 46.270 41.595 1.00 20.29 C ATOM 474 O ASN A 62 -1.129 46.347 41.183 1.00 14.98 O ATOM 475 CB ASN A 62 0.582 48.652 42.314 1.00 13.67 C ATOM 476 CG ASN A 62 0.608 48.345 43.805 1.00 22.50 C ATOM 477 OD1 ASN A 62 -0.370 48.691 44.525 1.00 32.10 O ATOM 478 ND2 ASN A 62 1.675 47.730 44.371 1.00 13.20 N ATOM 479 N VAL A 63 0.599 45.232 42.160 1.00 12.05 N ATOM 480 CA VAL A 63 -0.146 43.964 42.417 1.00 17.36 C ATOM 481 C VAL A 63 0.290 43.349 43.754 1.00 10.10 C ATOM 482 O VAL A 63 1.343 43.772 44.268 1.00 11.35 O ATOM 483 CB VAL A 63 0.036 42.926 41.235 1.00 12.04 C ATOM 484 CG1 VAL A 63 -0.598 43.464 39.949 1.00 15.13 C ATOM 485 CG2 VAL A 63 1.445 42.427 41.080 1.00 13.52 C ATOM 486 N ALA A 64 -0.503 42.427 44.268 1.00 9.40 N ATOM 487 CA ALA A 64 -0.051 41.850 45.554 1.00 12.55 C ATOM 488 C ALA A 64 0.984 40.774 45.142 1.00 11.86 C ATOM 489 O ALA A 64 0.892 40.121 44.063 1.00 10.25 O ATOM 490 CB ALA A 64 -1.196 41.235 46.325 1.00 11.04 C ATOM 491 N CYS A 65 1.942 40.621 45.965 1.00 7.03 N ATOM 492 CA CYS A 65 3.018 39.621 45.811 1.00 5.69 C ATOM 493 C CYS A 65 2.301 38.276 46.273 1.00 7.66 C ATOM 494 O CYS A 65 1.204 38.276 46.788 1.00 8.96 O ATOM 495 CB CYS A 65 4.217 39.852 46.736 1.00 5.22 C ATOM 496 SG CYS A 65 4.792 41.543 46.736 1.00 11.25 S ATOM 497 N LYS A 66 3.002 37.200 45.862 1.00 7.91 N ATOM 498 CA LYS A 66 2.453 35.855 46.171 1.00 10.97 C ATOM 499 C LYS A 66 2.191 35.701 47.713 1.00 9.73 C ATOM 500 O LYS A 66 1.249 35.010 48.021 1.00 15.88 O ATOM 501 CB LYS A 66 3.383 34.779 45.708 1.00 11.95 C ATOM 502 CG LYS A 66 3.312 34.587 44.165 1.00 23.53 C ATOM 503 CD LYS A 66 4.453 33.703 43.703 1.00 37.33 C ATOM 504 CE LYS A 66 4.075 32.819 42.572 1.00 50.63 C ATOM 505 NZ LYS A 66 5.399 32.204 42.006 1.00 47.22 N ATOM 506 N ASN A 67 3.058 36.316 48.536 1.00 7.26 N ATOM 507 CA ASN A 67 2.902 36.239 50.027 1.00 14.04 C ATOM 508 C ASN A 67 1.897 37.200 50.541 1.00 27.39 C ATOM 509 O ASN A 67 1.713 37.239 51.826 1.00 15.17 O ATOM 510 CB ASN A 67 4.271 36.393 50.695 1.00 13.80 C ATOM 511 CG ASN A 67 4.693 37.892 50.798 1.00 39.63 C ATOM 512 OD1 ASN A 67 4.294 38.853 50.129 1.00 16.95 O ATOM 513 ND2 ASN A 67 5.558 38.199 51.826 1.00 27.40 N ATOM 514 N GLY A 68 1.286 38.084 49.770 1.00 8.63 N ATOM 515 CA GLY A 68 0.266 39.006 50.232 1.00 7.25 C ATOM 516 C GLY A 68 0.794 40.428 50.387 1.00 7.44 C ATOM 517 O GLY A 68 -0.069 41.351 50.438 1.00 10.53 O ATOM 518 N GLN A 69 2.067 40.621 50.284 1.00 10.81 N ATOM 519 CA GLN A 69 2.626 42.042 50.335 1.00 8.26 C ATOM 520 C GLN A 69 2.066 42.849 49.204 1.00 15.15 C ATOM 521 O GLN A 69 1.822 42.311 48.124 1.00 11.02 O ATOM 522 CB GLN A 69 4.125 42.042 50.284 1.00 15.07 C ATOM 523 CG GLN A 69 4.759 41.581 51.569 1.00 20.06 C ATOM 524 CD GLN A 69 6.275 41.504 51.363 1.00 17.42 C ATOM 525 OE1 GLN A 69 6.919 40.659 51.929 1.00 29.81 O ATOM 526 NE2 GLN A 69 6.832 42.388 50.438 1.00 12.73 N ATOM 527 N THR A 70 1.972 44.156 49.410 1.00 8.11 N ATOM 528 CA THR A 70 1.410 45.040 48.381 1.00 9.10 C ATOM 529 C THR A 70 2.433 45.962 47.713 1.00 8.88 C ATOM 530 O THR A 70 1.989 46.885 46.993 1.00 16.17 O ATOM 531 CB THR A 70 0.163 45.732 48.896 1.00 17.52 C ATOM 532 OG1 THR A 70 0.556 46.462 50.078 1.00 16.40 O ATOM 533 CG2 THR A 70 -0.961 44.809 49.204 1.00 13.01 C ATOM 534 N ASN A 71 3.687 45.655 47.867 1.00 7.83 N ATOM 535 CA ASN A 71 4.726 46.423 47.147 1.00 10.99 C ATOM 536 C ASN A 71 5.287 45.655 45.913 1.00 8.17 C ATOM 537 O ASN A 71 6.457 45.809 45.554 1.00 7.46 O ATOM 538 CB ASN A 71 5.848 46.808 48.124 1.00 6.18 C ATOM 539 CG ASN A 71 6.614 45.578 48.587 1.00 6.32 C ATOM 540 OD1 ASN A 71 6.021 44.540 48.844 1.00 14.71 O ATOM 541 ND2 ASN A 71 7.930 45.770 48.638 1.00 13.07 N ATOM 542 N CYS A 72 4.357 44.886 45.296 1.00 6.83 N ATOM 543 CA CYS A 72 4.766 44.118 44.063 1.00 5.30 C ATOM 544 C CYS A 72 4.238 44.925 42.829 1.00 8.59 C ATOM 545 O CYS A 72 3.253 45.693 42.880 1.00 9.02 O ATOM 546 CB CYS A 72 4.327 42.696 44.114 1.00 9.57 C ATOM 547 SG CYS A 72 5.665 41.581 44.782 1.00 11.50 S ATOM 548 N TYR A 73 4.933 44.733 41.749 1.00 8.04 N ATOM 549 CA TYR A 73 4.662 45.386 40.463 1.00 8.70 C ATOM 550 C TYR A 73 4.935 44.387 39.281 1.00 7.85 C ATOM 551 O TYR A 73 5.919 43.733 39.230 1.00 7.81 O ATOM 552 CB TYR A 73 5.589 46.654 40.206 1.00 7.65 C ATOM 553 CG TYR A 73 5.258 47.730 41.183 1.00 9.36 C ATOM 554 CD1 TYR A 73 4.232 48.691 40.978 1.00 12.61 C ATOM 555 CD2 TYR A 73 5.938 47.730 42.417 1.00 10.03 C ATOM 556 CE1 TYR A 73 3.931 49.652 41.955 1.00 14.96 C ATOM 557 CE2 TYR A 73 5.622 48.652 43.446 1.00 11.14 C ATOM 558 CZ TYR A 73 4.611 49.575 43.188 1.00 19.63 C ATOM 559 OH TYR A 73 4.356 50.497 44.217 1.00 23.68 O ATOM 560 N GLN A 74 3.932 44.502 38.407 1.00 6.04 N ATOM 561 CA GLN A 74 4.009 43.656 37.173 1.00 7.95 C ATOM 562 C GLN A 74 4.297 44.464 35.939 1.00 12.54 C ATOM 563 O GLN A 74 3.725 45.578 35.733 1.00 9.11 O ATOM 564 CB GLN A 74 2.694 42.888 37.019 1.00 13.53 C ATOM 565 CG GLN A 74 2.681 42.081 35.682 1.00 9.05 C ATOM 566 CD GLN A 74 1.185 41.658 35.528 1.00 30.02 C ATOM 567 OE1 GLN A 74 0.628 41.082 36.453 1.00 35.30 O ATOM 568 NE2 GLN A 74 0.625 42.042 34.397 1.00 62.12 N ATOM 569 N SER A 75 5.216 43.925 35.116 1.00 9.54 N ATOM 570 CA SER A 75 5.656 44.579 33.882 1.00 7.48 C ATOM 571 C SER A 75 4.473 44.617 32.906 1.00 4.30 C ATOM 572 O SER A 75 3.750 43.618 32.700 1.00 13.03 O ATOM 573 CB SER A 75 6.875 43.925 33.265 1.00 7.14 C ATOM 574 OG SER A 75 6.563 42.580 32.803 1.00 7.88 O ATOM 575 N TYR A 76 4.360 45.809 32.289 1.00 11.25 N ATOM 576 CA TYR A 76 3.330 45.962 31.209 1.00 15.80 C ATOM 577 C TYR A 76 3.663 45.078 30.026 1.00 14.06 C ATOM 578 O TYR A 76 2.748 44.425 29.461 1.00 19.18 O ATOM 579 CB TYR A 76 3.214 47.423 30.798 1.00 16.41 C ATOM 580 CG TYR A 76 2.640 48.345 31.877 1.00 13.90 C ATOM 581 CD1 TYR A 76 1.511 47.999 32.597 1.00 20.39 C ATOM 582 CD2 TYR A 76 3.198 49.613 32.031 1.00 22.41 C ATOM 583 CE1 TYR A 76 0.984 48.883 33.522 1.00 20.07 C ATOM 584 CE2 TYR A 76 2.672 50.497 32.957 1.00 23.70 C ATOM 585 CZ TYR A 76 1.557 50.113 33.728 1.00 14.92 C ATOM 586 OH TYR A 76 1.091 51.035 34.654 1.00 30.06 O ATOM 587 N SER A 77 4.924 45.002 29.666 1.00 5.48 N ATOM 588 CA SER A 77 5.468 44.194 28.587 1.00 20.37 C ATOM 589 C SER A 77 6.083 42.849 29.049 1.00 20.42 C ATOM 590 O SER A 77 6.492 42.773 30.181 1.00 11.94 O ATOM 591 CB SER A 77 6.598 44.963 27.867 1.00 14.16 C ATOM 592 OG SER A 77 6.037 45.616 26.736 1.00 62.73 O ATOM 593 N THR A 78 6.111 41.927 28.073 1.00 14.59 N ATOM 594 CA THR A 78 6.758 40.621 28.330 1.00 15.66 C ATOM 595 C THR A 78 8.258 40.890 28.175 1.00 17.89 C ATOM 596 O THR A 78 8.706 41.889 27.507 1.00 11.46 O ATOM 597 CB THR A 78 6.254 39.429 27.507 1.00 12.69 C ATOM 598 OG1 THR A 78 6.726 39.737 26.170 1.00 22.49 O ATOM 599 CG2 THR A 78 4.787 39.160 27.456 1.00 15.76 C ATOM 600 N MET A 79 9.068 40.082 28.792 1.00 8.73 N ATOM 601 CA MET A 79 10.490 40.159 28.792 1.00 6.34 C ATOM 602 C MET A 79 11.130 38.776 28.484 1.00 5.46 C ATOM 603 O MET A 79 10.521 37.777 28.792 1.00 9.31 O ATOM 604 CB MET A 79 11.078 40.697 30.129 1.00 7.30 C ATOM 605 CG MET A 79 10.454 42.042 30.386 1.00 6.63 C ATOM 606 SD MET A 79 11.359 42.773 31.774 1.00 13.03 S ATOM 607 CE MET A 79 10.742 44.464 31.517 1.00 18.01 C ATOM 608 N SER A 80 12.333 38.853 27.918 1.00 4.52 N ATOM 609 CA SER A 80 13.078 37.623 27.661 1.00 3.29 C ATOM 610 C SER A 80 13.696 37.123 28.998 1.00 6.15 C ATOM 611 O SER A 80 14.491 37.892 29.564 1.00 6.99 O ATOM 612 CB SER A 80 14.212 37.854 26.633 1.00 8.89 C ATOM 613 OG SER A 80 14.895 36.662 26.479 1.00 8.41 O ATOM 614 N ILE A 81 13.313 35.932 29.358 1.00 8.04 N ATOM 615 CA ILE A 81 13.856 35.394 30.643 1.00 7.40 C ATOM 616 C ILE A 81 14.297 33.972 30.489 1.00 14.04 C ATOM 617 O ILE A 81 13.962 33.204 29.512 1.00 10.67 O ATOM 618 CB ILE A 81 12.798 35.432 31.723 1.00 4.46 C ATOM 619 CG1 ILE A 81 11.682 34.472 31.414 1.00 5.55 C ATOM 620 CG2 ILE A 81 12.265 36.854 31.980 1.00 8.95 C ATOM 621 CD1 ILE A 81 10.593 34.318 32.494 1.00 19.56 C ATOM 622 N THR A 82 15.209 33.549 31.363 1.00 4.86 N ATOM 623 CA THR A 82 15.708 32.166 31.414 1.00 3.51 C ATOM 624 C THR A 82 15.296 31.628 32.854 1.00 11.23 C ATOM 625 O THR A 82 15.615 32.320 33.882 1.00 5.04 O ATOM 626 CB THR A 82 17.179 32.012 31.157 1.00 6.37 C ATOM 627 OG1 THR A 82 17.484 32.435 29.872 1.00 4.76 O ATOM 628 CG2 THR A 82 17.691 30.590 31.363 1.00 6.26 C ATOM 629 N ASP A 83 14.599 30.513 32.854 1.00 6.33 N ATOM 630 CA ASP A 83 14.265 29.822 34.139 1.00 9.06 C ATOM 631 C ASP A 83 15.307 28.707 34.294 1.00 6.86 C ATOM 632 O ASP A 83 15.606 27.900 33.420 1.00 7.89 O ATOM 633 CB ASP A 83 12.856 29.207 34.191 1.00 16.47 C ATOM 634 CG ASP A 83 11.747 30.206 34.551 1.00 57.04 C ATOM 635 OD1 ASP A 83 11.780 30.936 35.528 1.00 53.13 O ATOM 636 OD2 ASP A 83 10.713 30.244 33.780 1.00 50.94 O ATOM 637 N CYS A 84 15.805 28.592 35.528 1.00 5.47 N ATOM 638 CA CYS A 84 16.799 27.593 35.939 1.00 7.24 C ATOM 639 C CYS A 84 16.179 26.786 37.070 1.00 8.66 C ATOM 640 O CYS A 84 15.818 27.439 38.047 1.00 9.20 O ATOM 641 CB CYS A 84 18.110 28.246 36.402 1.00 5.78 C ATOM 642 SG CYS A 84 18.958 29.361 35.219 1.00 6.26 S ATOM 643 N ARG A 85 16.091 25.518 36.864 1.00 5.94 N ATOM 644 CA ARG A 85 15.486 24.595 37.944 1.00 4.44 C ATOM 645 C ARG A 85 16.498 23.481 38.098 1.00 8.70 C ATOM 646 O ARG A 85 17.039 22.827 37.224 1.00 6.84 O ATOM 647 CB ARG A 85 14.174 23.980 37.584 1.00 16.27 C ATOM 648 CG ARG A 85 13.264 24.595 36.607 1.00 42.23 C ATOM 649 CD ARG A 85 11.777 24.326 36.916 1.00 57.11 C ATOM 650 NE ARG A 85 11.203 25.710 36.813 1.00 47.53 N ATOM 651 CZ ARG A 85 11.142 26.401 37.996 1.00 53.68 C ATOM 652 NH1 ARG A 85 10.749 25.710 39.075 1.00 66.21 N ATOM 653 NH2 ARG A 85 11.308 27.746 38.047 1.00 50.42 N ATOM 654 N GLU A 86 16.753 23.135 39.435 1.00 7.42 N ATOM 655 CA GLU A 86 17.657 22.059 39.744 1.00 4.58 C ATOM 656 C GLU A 86 17.165 20.714 39.178 1.00 9.10 C ATOM 657 O GLU A 86 15.970 20.445 39.127 1.00 13.55 O ATOM 658 CB GLU A 86 17.758 22.020 41.286 1.00 11.69 C ATOM 659 CG GLU A 86 19.023 21.444 41.800 1.00 14.40 C ATOM 660 CD GLU A 86 19.184 21.406 43.343 1.00 8.48 C ATOM 661 OE1 GLU A 86 18.087 21.790 43.960 1.00 11.68 O ATOM 662 OE2 GLU A 86 20.240 21.021 43.651 1.00 9.31 O ATOM 663 N THR A 87 18.155 19.945 38.715 1.00 10.65 N ATOM 664 CA THR A 87 17.860 18.600 38.098 1.00 15.75 C ATOM 665 C THR A 87 17.983 17.524 39.178 1.00 17.39 C ATOM 666 O THR A 87 18.575 17.793 40.206 1.00 8.33 O ATOM 667 CB THR A 87 18.678 18.293 36.916 1.00 16.27 C ATOM 668 OG1 THR A 87 19.989 18.024 37.379 1.00 15.18 O ATOM 669 CG2 THR A 87 18.676 19.484 35.939 1.00 13.48 C ATOM 670 N GLY A 88 17.411 16.371 38.870 1.00 11.68 N ATOM 671 CA GLY A 88 17.474 15.257 39.847 1.00 6.33 C ATOM 672 C GLY A 88 18.894 14.834 40.052 1.00 9.75 C ATOM 673 O GLY A 88 19.123 14.142 41.080 1.00 18.40 O ATOM 674 N SER A 89 19.829 15.141 39.178 1.00 8.44 N ATOM 675 CA SER A 89 21.219 14.796 39.384 1.00 12.27 C ATOM 676 C SER A 89 22.071 15.833 40.155 1.00 8.68 C ATOM 677 O SER A 89 23.264 15.603 40.412 1.00 16.07 O ATOM 678 CB SER A 89 21.918 14.642 37.996 1.00 14.01 C ATOM 679 OG SER A 89 21.515 13.374 37.533 1.00 23.67 O ATOM 680 N SER A 90 21.462 16.948 40.463 1.00 7.91 N ATOM 681 CA SER A 90 22.179 18.062 41.183 1.00 9.18 C ATOM 682 C SER A 90 22.569 17.563 42.572 1.00 8.34 C ATOM 683 O SER A 90 21.743 17.063 43.291 1.00 11.39 O ATOM 684 CB SER A 90 21.285 19.253 41.235 1.00 6.54 C ATOM 685 OG SER A 90 21.974 20.368 41.852 1.00 9.74 O ATOM 686 N LYS A 91 23.807 17.793 42.880 1.00 9.67 N ATOM 687 CA LYS A 91 24.334 17.332 44.217 1.00 7.10 C ATOM 688 C LYS A 91 25.434 18.293 44.577 1.00 6.45 C ATOM 689 O LYS A 91 26.532 18.331 43.960 1.00 12.99 O ATOM 690 CB LYS A 91 24.880 15.910 44.114 1.00 19.59 C ATOM 691 CG LYS A 91 25.559 15.526 45.451 1.00 24.46 C ATOM 692 CD LYS A 91 26.924 14.911 45.245 1.00 45.63 C ATOM 693 CE LYS A 91 28.074 15.872 45.245 1.00 47.71 C ATOM 694 NZ LYS A 91 28.697 16.141 43.908 1.00 37.55 N ATOM 695 N TYR A 92 25.148 19.100 45.605 1.00 8.09 N ATOM 696 CA TYR A 92 26.050 20.137 46.119 1.00 9.70 C ATOM 697 C TYR A 92 27.425 19.561 46.273 1.00 12.93 C ATOM 698 O TYR A 92 27.433 18.446 46.839 1.00 11.20 O ATOM 699 CB TYR A 92 25.503 20.714 47.405 1.00 8.77 C ATOM 700 CG TYR A 92 26.390 21.828 47.867 1.00 15.01 C ATOM 701 CD1 TYR A 92 26.276 23.135 47.353 1.00 6.00 C ATOM 702 CD2 TYR A 92 27.499 21.521 48.690 1.00 11.08 C ATOM 703 CE1 TYR A 92 27.178 24.096 47.764 1.00 10.04 C ATOM 704 CE2 TYR A 92 28.372 22.482 49.101 1.00 11.78 C ATOM 705 CZ TYR A 92 28.211 23.788 48.638 1.00 10.65 C ATOM 706 OH TYR A 92 29.098 24.710 49.101 1.00 13.02 O ATOM 707 N PRO A 93 28.505 20.176 45.811 1.00 14.28 N ATOM 708 CA PRO A 93 28.604 21.482 45.194 1.00 14.31 C ATOM 709 C PRO A 93 28.503 21.444 43.651 1.00 11.82 C ATOM 710 O PRO A 93 28.663 22.482 43.034 1.00 14.04 O ATOM 711 CB PRO A 93 29.960 21.944 45.708 1.00 16.21 C ATOM 712 CG PRO A 93 30.853 20.714 45.656 1.00 23.04 C ATOM 713 CD PRO A 93 29.881 19.561 45.965 1.00 18.73 C ATOM 714 N ASN A 94 28.177 20.253 43.137 1.00 14.55 N ATOM 715 CA ASN A 94 28.030 20.137 41.646 1.00 16.37 C ATOM 716 C ASN A 94 26.535 20.291 41.389 1.00 8.50 C ATOM 717 O ASN A 94 25.798 19.330 41.029 1.00 11.55 O ATOM 718 CB ASN A 94 28.704 18.908 41.029 1.00 15.55 C ATOM 719 CG ASN A 94 30.228 18.946 41.389 1.00 21.68 C ATOM 720 OD1 ASN A 94 30.930 19.868 40.978 1.00 43.43 O ATOM 721 ND2 ASN A 94 30.625 17.985 42.263 1.00 33.84 N ATOM 722 N CYS A 95 26.125 21.559 41.543 1.00 8.79 N ATOM 723 CA CYS A 95 24.735 21.944 41.338 1.00 8.87 C ATOM 724 C CYS A 95 24.483 21.867 39.795 1.00 7.64 C ATOM 725 O CYS A 95 25.325 22.328 39.024 1.00 12.02 O ATOM 726 CB CYS A 95 24.365 23.289 41.852 1.00 8.61 C ATOM 727 SG CYS A 95 24.841 23.481 43.651 1.00 8.50 S ATOM 728 N ALA A 96 23.367 21.290 39.487 1.00 7.50 N ATOM 729 CA ALA A 96 22.992 21.098 38.047 1.00 11.06 C ATOM 730 C ALA A 96 21.572 21.598 37.841 1.00 5.84 C ATOM 731 O ALA A 96 20.623 21.406 38.664 1.00 5.49 O ATOM 732 CB ALA A 96 23.163 19.638 37.687 1.00 6.70 C ATOM 733 N TYR A 97 21.435 22.251 36.710 1.00 5.45 N ATOM 734 CA TYR A 97 20.214 22.904 36.350 1.00 1.28 C ATOM 735 C TYR A 97 19.704 22.635 34.859 1.00 4.23 C ATOM 736 O TYR A 97 20.533 22.482 33.934 1.00 8.88 O ATOM 737 CB TYR A 97 20.350 24.480 36.402 1.00 4.66 C ATOM 738 CG TYR A 97 20.618 24.903 37.893 1.00 3.69 C ATOM 739 CD1 TYR A 97 21.928 24.903 38.355 1.00 5.82 C ATOM 740 CD2 TYR A 97 19.578 25.172 38.715 1.00 4.51 C ATOM 741 CE1 TYR A 97 22.183 25.210 39.692 1.00 8.58 C ATOM 742 CE2 TYR A 97 19.802 25.479 40.052 1.00 6.56 C ATOM 743 CZ TYR A 97 21.113 25.479 40.515 1.00 7.24 C ATOM 744 OH TYR A 97 21.444 25.787 41.800 1.00 8.66 O ATOM 745 N LYS A 98 18.433 22.635 34.859 1.00 9.79 N ATOM 746 CA LYS A 98 17.739 22.520 33.471 1.00 8.35 C ATOM 747 C LYS A 98 17.547 24.019 33.111 1.00 8.33 C ATOM 748 O LYS A 98 16.977 24.826 33.882 1.00 7.54 O ATOM 749 CB LYS A 98 16.465 21.828 33.677 1.00 6.57 C ATOM 750 CG LYS A 98 15.375 21.790 32.597 1.00 21.26 C ATOM 751 CD LYS A 98 15.922 21.598 31.209 1.00 28.30 C ATOM 752 CE LYS A 98 16.744 20.406 30.900 1.00 59.68 C ATOM 753 NZ LYS A 98 17.533 20.598 29.615 1.00 62.99 N ATOM 754 N THR A 99 17.957 24.403 31.877 1.00 6.13 N ATOM 755 CA THR A 99 17.768 25.748 31.312 1.00 13.96 C ATOM 756 C THR A 99 16.507 25.748 30.489 1.00 18.83 C ATOM 757 O THR A 99 16.428 24.903 29.564 1.00 11.22 O ATOM 758 CB THR A 99 18.975 26.094 30.438 1.00 8.68 C ATOM 759 OG1 THR A 99 20.084 26.094 31.260 1.00 7.54 O ATOM 760 CG2 THR A 99 18.802 27.477 29.718 1.00 7.13 C ATOM 761 N THR A 100 15.611 26.670 30.746 1.00 6.89 N ATOM 762 CA THR A 100 14.334 26.824 29.975 1.00 7.52 C ATOM 763 C THR A 100 14.204 28.284 29.512 1.00 13.19 C ATOM 764 O THR A 100 14.268 29.168 30.386 1.00 8.67 O ATOM 765 CB THR A 100 13.113 26.363 30.798 1.00 16.65 C ATOM 766 OG1 THR A 100 13.305 24.979 31.157 1.00 18.28 O ATOM 767 CG2 THR A 100 11.836 26.594 30.026 1.00 18.34 C ATOM 768 N GLN A 101 14.008 28.553 28.278 1.00 11.74 N ATOM 769 CA GLN A 101 13.864 29.975 27.764 1.00 11.59 C ATOM 770 C GLN A 101 12.350 30.321 27.764 1.00 14.81 C ATOM 771 O GLN A 101 11.491 29.437 27.507 1.00 20.19 O ATOM 772 CB GLN A 101 14.472 30.168 26.376 1.00 23.79 C ATOM 773 CG GLN A 101 15.717 29.437 26.067 1.00 64.51 C ATOM 774 CD GLN A 101 16.085 29.553 24.576 1.00 64.24 C ATOM 775 OE1 GLN A 101 15.371 29.092 23.651 1.00 26.84 O ATOM 776 NE2 GLN A 101 17.239 30.129 24.268 1.00 27.47 N ATOM 777 N ALA A 102 12.029 31.589 28.021 1.00 8.02 N ATOM 778 CA ALA A 102 10.652 32.012 27.970 1.00 9.75 C ATOM 779 C ALA A 102 10.579 33.549 27.815 1.00 4.83 C ATOM 780 O ALA A 102 11.578 34.203 27.815 1.00 10.94 O ATOM 781 CB ALA A 102 9.908 31.666 29.306 1.00 17.80 C ATOM 782 N ASN A 103 9.372 33.972 27.507 1.00 11.96 N ATOM 783 CA ASN A 103 9.072 35.394 27.301 1.00 9.91 C ATOM 784 C ASN A 103 7.850 35.663 28.124 1.00 10.59 C ATOM 785 O ASN A 103 6.781 35.087 27.764 1.00 12.97 O ATOM 786 CB ASN A 103 8.850 35.663 25.759 1.00 17.97 C ATOM 787 CG ASN A 103 9.307 37.085 25.553 1.00 37.87 C ATOM 788 OD1 ASN A 103 8.533 38.007 25.707 1.00 61.24 O ATOM 789 ND2 ASN A 103 10.598 37.162 25.193 1.00 49.07 N ATOM 790 N LYS A 104 7.926 36.393 29.255 1.00 11.84 N ATOM 791 CA LYS A 104 6.750 36.508 30.129 1.00 7.79 C ATOM 792 C LYS A 104 6.877 37.854 30.798 1.00 6.00 C ATOM 793 O LYS A 104 7.908 38.468 30.695 1.00 8.02 O ATOM 794 CB LYS A 104 6.797 35.394 31.157 1.00 20.16 C ATOM 795 CG LYS A 104 6.715 34.011 30.438 1.00 17.39 C ATOM 796 CD LYS A 104 5.918 33.011 31.260 1.00 30.05 C ATOM 797 CE LYS A 104 6.736 32.358 32.340 1.00 44.10 C ATOM 798 NZ LYS A 104 6.004 31.128 32.751 1.00 34.98 N ATOM 799 N HIS A 105 5.764 38.123 31.466 1.00 10.15 N ATOM 800 CA HIS A 105 5.692 39.391 32.289 1.00 8.69 C ATOM 801 C HIS A 105 6.432 39.006 33.625 1.00 13.64 C ATOM 802 O HIS A 105 6.321 37.854 33.985 1.00 12.22 O ATOM 803 CB HIS A 105 4.296 39.813 32.597 1.00 8.75 C ATOM 804 CG HIS A 105 3.495 40.236 31.363 1.00 17.98 C ATOM 805 ND1 HIS A 105 2.717 39.352 30.643 1.00 18.70 N ATOM 806 CD2 HIS A 105 3.396 41.466 30.798 1.00 19.72 C ATOM 807 CE1 HIS A 105 2.170 40.082 29.666 1.00 14.85 C ATOM 808 NE2 HIS A 105 2.578 41.351 29.718 1.00 25.02 N ATOM 809 N ILE A 106 7.075 39.967 34.191 1.00 8.54 N ATOM 810 CA ILE A 106 7.800 39.698 35.476 1.00 3.58 C ATOM 811 C ILE A 106 7.074 40.544 36.556 1.00 7.57 C ATOM 812 O ILE A 106 6.487 41.543 36.299 1.00 9.00 O ATOM 813 CB ILE A 106 9.240 40.006 35.322 1.00 5.66 C ATOM 814 CG1 ILE A 106 9.484 41.504 35.116 1.00 13.49 C ATOM 815 CG2 ILE A 106 9.874 39.122 34.242 1.00 9.78 C ATOM 816 CD1 ILE A 106 10.933 41.966 35.425 1.00 11.54 C ATOM 817 N ILE A 107 7.165 39.967 37.739 1.00 7.56 N ATOM 818 CA ILE A 107 6.573 40.582 38.972 1.00 7.42 C ATOM 819 C ILE A 107 7.756 40.736 39.949 1.00 5.84 C ATOM 820 O ILE A 107 8.388 39.737 40.258 1.00 7.29 O ATOM 821 CB ILE A 107 5.445 39.813 39.589 1.00 3.57 C ATOM 822 CG1 ILE A 107 4.293 39.660 38.613 1.00 8.89 C ATOM 823 CG2 ILE A 107 4.900 40.582 40.772 1.00 11.96 C ATOM 824 CD1 ILE A 107 3.137 38.776 39.024 1.00 12.77 C ATOM 825 N VAL A 108 7.963 42.004 40.361 1.00 5.21 N ATOM 826 CA VAL A 108 9.071 42.273 41.286 1.00 6.75 C ATOM 827 C VAL A 108 8.479 43.042 42.520 1.00 6.17 C ATOM 828 O VAL A 108 7.467 43.733 42.366 1.00 6.68 O ATOM 829 CB VAL A 108 10.200 43.042 40.566 1.00 5.61 C ATOM 830 CG1 VAL A 108 10.851 42.235 39.435 1.00 9.98 C ATOM 831 CG2 VAL A 108 9.617 44.387 40.001 1.00 4.17 C ATOM 832 N ALA A 109 9.207 42.888 43.600 1.00 6.25 N ATOM 833 CA ALA A 109 8.843 43.695 44.782 1.00 4.74 C ATOM 834 C ALA A 109 9.858 44.886 44.731 1.00 7.65 C ATOM 835 O ALA A 109 10.998 44.656 44.371 1.00 5.89 O ATOM 836 CB ALA A 109 9.023 42.926 46.068 1.00 7.50 C ATOM 837 N CYS A 110 9.400 46.078 45.039 1.00 6.09 N ATOM 838 CA CYS A 110 10.248 47.230 45.039 1.00 7.75 C ATOM 839 C CYS A 110 10.305 47.922 46.428 1.00 12.59 C ATOM 840 O CYS A 110 9.327 47.884 47.147 1.00 8.43 O ATOM 841 CB CYS A 110 9.746 48.345 44.011 1.00 7.17 C ATOM 842 SG CYS A 110 9.586 47.499 42.366 1.00 9.76 S ATOM 843 N GLU A 111 11.468 48.537 46.582 1.00 6.94 N ATOM 844 CA GLU A 111 11.633 49.267 47.919 1.00 13.55 C ATOM 845 C GLU A 111 12.664 50.382 47.713 1.00 17.48 C ATOM 846 O GLU A 111 13.508 50.343 46.839 1.00 13.00 O ATOM 847 CB GLU A 111 12.225 48.345 48.947 1.00 10.05 C ATOM 848 CG GLU A 111 11.568 47.077 49.410 1.00 27.44 C ATOM 849 CD GLU A 111 12.250 46.231 50.438 1.00 43.01 C ATOM 850 OE1 GLU A 111 13.333 46.769 50.952 1.00 35.93 O ATOM 851 OE2 GLU A 111 11.867 45.117 50.798 1.00 41.03 O ATOM 852 N GLY A 112 12.697 51.304 48.690 1.00 15.24 N ATOM 853 CA GLY A 112 13.710 52.342 48.741 1.00 9.91 C ATOM 854 C GLY A 112 13.388 53.610 47.919 1.00 8.90 C ATOM 855 O GLY A 112 12.336 53.840 47.405 1.00 14.43 O ATOM 856 N ASN A 113 14.448 54.378 47.919 1.00 12.18 N ATOM 857 CA ASN A 113 14.608 55.647 47.199 1.00 13.54 C ATOM 858 C ASN A 113 16.068 55.762 46.685 1.00 29.79 C ATOM 859 O ASN A 113 16.966 55.954 47.507 1.00 26.73 O ATOM 860 CB ASN A 113 14.188 56.800 48.073 1.00 22.66 C ATOM 861 CG ASN A 113 14.606 58.106 47.405 1.00 32.04 C ATOM 862 OD1 ASN A 113 15.569 58.798 47.816 1.00 55.65 O ATOM 863 ND2 ASN A 113 13.924 58.375 46.273 1.00 50.86 N ATOM 864 N PRO A 114 16.251 55.647 45.399 1.00 12.34 N ATOM 865 CA PRO A 114 15.266 55.416 44.371 1.00 10.31 C ATOM 866 C PRO A 114 14.521 54.109 44.628 1.00 8.87 C ATOM 867 O PRO A 114 15.134 53.187 45.194 1.00 12.16 O ATOM 868 CB PRO A 114 16.101 55.339 43.034 1.00 18.87 C ATOM 869 CG PRO A 114 17.548 54.993 43.446 1.00 22.46 C ATOM 870 CD PRO A 114 17.622 55.762 44.782 1.00 19.10 C ATOM 871 N TYR A 115 13.331 54.033 44.165 1.00 9.52 N ATOM 872 CA TYR A 115 12.436 52.880 44.320 1.00 8.70 C ATOM 873 C TYR A 115 12.843 51.880 43.291 1.00 11.68 C ATOM 874 O TYR A 115 12.450 52.150 42.109 1.00 11.46 O ATOM 875 CB TYR A 115 11.031 53.341 44.165 1.00 14.21 C ATOM 876 CG TYR A 115 9.904 52.457 44.680 1.00 19.32 C ATOM 877 CD1 TYR A 115 9.887 52.034 46.016 1.00 9.25 C ATOM 878 CD2 TYR A 115 8.795 52.111 43.857 1.00 7.98 C ATOM 879 CE1 TYR A 115 8.821 51.266 46.530 1.00 8.49 C ATOM 880 CE2 TYR A 115 7.745 51.342 44.320 1.00 10.47 C ATOM 881 CZ TYR A 115 7.772 50.958 45.708 1.00 12.28 C ATOM 882 OH TYR A 115 6.736 50.228 46.222 1.00 14.86 O ATOM 883 N VAL A 116 13.520 50.804 43.651 1.00 9.08 N ATOM 884 CA VAL A 116 13.971 49.805 42.674 1.00 7.11 C ATOM 885 C VAL A 116 13.603 48.422 43.086 1.00 6.76 C ATOM 886 O VAL A 116 13.180 48.114 44.165 1.00 5.81 O ATOM 887 CB VAL A 116 15.532 49.997 42.520 1.00 15.85 C ATOM 888 CG1 VAL A 116 15.948 51.342 41.955 1.00 6.86 C ATOM 889 CG2 VAL A 116 16.211 49.767 43.857 1.00 11.90 C ATOM 890 N PRO A 117 13.797 47.461 42.160 1.00 7.49 N ATOM 891 CA PRO A 117 13.475 46.039 42.417 1.00 4.31 C ATOM 892 C PRO A 117 14.446 45.424 43.394 1.00 9.03 C ATOM 893 O PRO A 117 15.705 45.578 43.240 1.00 7.91 O ATOM 894 CB PRO A 117 13.599 45.347 41.029 1.00 7.27 C ATOM 895 CG PRO A 117 13.583 46.462 40.001 1.00 8.76 C ATOM 896 CD PRO A 117 14.179 47.692 40.721 1.00 6.14 C ATOM 897 N VAL A 118 13.995 44.694 44.371 1.00 5.18 N ATOM 898 CA VAL A 118 14.754 44.002 45.348 1.00 10.64 C ATOM 899 C VAL A 118 14.421 42.504 45.348 1.00 12.91 C ATOM 900 O VAL A 118 15.184 41.812 46.016 1.00 15.27 O ATOM 901 CB VAL A 118 14.599 44.617 46.736 1.00 6.40 C ATOM 902 CG1 VAL A 118 15.130 46.078 46.685 1.00 8.46 C ATOM 903 CG2 VAL A 118 13.170 44.540 47.250 1.00 9.26 C ATOM 904 N HIS A 119 13.309 42.158 44.731 1.00 4.77 N ATOM 905 CA HIS A 119 12.960 40.697 44.782 1.00 5.98 C ATOM 906 C HIS A 119 12.220 40.313 43.548 1.00 6.73 C ATOM 907 O HIS A 119 11.347 41.043 43.137 1.00 8.59 O ATOM 908 CB HIS A 119 12.096 40.505 46.016 1.00 12.79 C ATOM 909 CG HIS A 119 11.248 39.314 46.119 1.00 17.32 C ATOM 910 ND1 HIS A 119 11.788 38.084 46.428 1.00 27.45 N ATOM 911 CD2 HIS A 119 9.904 39.160 45.862 1.00 25.52 C ATOM 912 CE1 HIS A 119 10.775 37.239 46.376 1.00 33.68 C ATOM 913 NE2 HIS A 119 9.614 37.854 46.016 1.00 33.57 N ATOM 914 N PHE A 120 12.589 39.160 43.034 1.00 8.23 N ATOM 915 CA PHE A 120 11.863 38.622 41.852 1.00 11.32 C ATOM 916 C PHE A 120 10.781 37.700 42.417 1.00 6.66 C ATOM 917 O PHE A 120 11.137 36.701 43.034 1.00 10.39 O ATOM 918 CB PHE A 120 12.889 37.815 40.978 1.00 7.19 C ATOM 919 CG PHE A 120 12.225 37.392 39.692 1.00 11.30 C ATOM 920 CD1 PHE A 120 11.409 36.278 39.589 1.00 10.96 C ATOM 921 CD2 PHE A 120 12.451 38.238 38.561 1.00 17.64 C ATOM 922 CE1 PHE A 120 10.819 35.932 38.355 1.00 8.61 C ATOM 923 CE2 PHE A 120 11.846 37.930 37.379 1.00 15.56 C ATOM 924 CZ PHE A 120 11.030 36.778 37.276 1.00 8.56 C ATOM 925 N ASP A 121 9.543 38.084 42.212 1.00 4.75 N ATOM 926 CA ASP A 121 8.400 37.316 42.777 1.00 3.83 C ATOM 927 C ASP A 121 7.898 36.239 41.852 1.00 15.65 C ATOM 928 O ASP A 121 7.589 35.087 42.366 1.00 15.08 O ATOM 929 CB ASP A 121 7.291 38.315 43.137 1.00 6.87 C ATOM 930 CG ASP A 121 6.384 37.700 44.217 1.00 21.24 C ATOM 931 OD1 ASP A 121 6.945 37.200 45.245 1.00 18.79 O ATOM 932 OD2 ASP A 121 5.176 37.700 44.011 1.00 8.92 O ATOM 933 N ALA A 122 7.748 36.470 40.566 1.00 11.51 N ATOM 934 CA ALA A 122 7.169 35.471 39.692 1.00 8.09 C ATOM 935 C ALA A 122 7.188 35.970 38.253 1.00 9.74 C ATOM 936 O ALA A 122 7.419 37.162 37.996 1.00 10.21 O ATOM 937 CB ALA A 122 5.635 35.394 40.155 1.00 11.46 C ATOM 938 N SER A 123 6.882 35.087 37.379 1.00 13.99 N ATOM 939 CA SER A 123 6.826 35.394 35.888 1.00 9.04 C ATOM 940 C SER A 123 5.393 34.933 35.528 1.00 18.26 C ATOM 941 O SER A 123 4.946 33.857 36.093 1.00 20.52 O ATOM 942 CB SER A 123 7.956 34.894 35.065 1.00 11.00 C ATOM 943 OG SER A 123 7.913 33.473 34.911 1.00 14.88 O ATOM 944 N VAL A 124 4.691 35.663 34.756 1.00 13.15 N ATOM 945 CA VAL A 124 3.288 35.279 34.397 1.00 14.30 C ATOM 946 C VAL A 124 3.051 35.509 32.906 1.00 14.86 C ATOM 947 O VAL A 124 2.255 34.664 32.443 1.00 26.08 O ATOM 948 CB VAL A 124 2.293 36.047 35.271 1.00 17.54 C ATOM 949 CG1 VAL A 124 2.244 35.509 36.710 1.00 14.75 C ATOM 950 CG2 VAL A 124 2.475 37.585 35.271 1.00 18.57 C ATOM 951 OXT VAL A 124 3.906 36.124 32.289 1.00 17.67 O TER 952 VAL A 124 CONECT 194 642 CONECT 310 727 CONECT 446 842 CONECT 496 547 CONECT 547 496 CONECT 642 194 CONECT 727 310 CONECT 842 446 MASTER 279 1 0 4 7 0 0 6 951 1 8 10 END