HEADER HYDROLASE (NUCLEIC ACID,RNA) 13-AUG-91 9RAT 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,W.GILBERT REVDAT 3 24-FEB-09 9RAT 1 VERSN REVDAT 2 01-APR-03 9RAT 1 JRNL REVDAT 1 15-JUL-93 9RAT 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 : 12373 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) : 0.191 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) : 0.030 ; 0.030 REMARK 3 ANGLE DISTANCE (A) : 0.045 ; 0.040 REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.053 ; 0.050 REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : 0.020 ; 0.025 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.170 ; 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) : 3.300 ; 5.000 REMARK 3 STAGGERED (DEGREES) : 17.400; 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 9RAT 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 (%): 43.19 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.17 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 19.15000 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 0.079 REMARK 500 HIS A 12 CE1 HIS A 12 NE2 0.160 REMARK 500 SER A 15 CB SER A 15 OG 0.100 REMARK 500 SER A 90 CB SER A 90 OG 0.091 REMARK 500 PRO A 117 CD PRO A 117 N 0.109 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 ALA A 6 O - C - N ANGL. DEV. = 13.0 DEGREES REMARK 500 PHE A 8 CB - CG - CD2 ANGL. DEV. = -4.9 DEGREES REMARK 500 ARG A 10 CD - NE - CZ ANGL. DEV. = 9.0 DEGREES REMARK 500 ARG A 10 NE - CZ - NH1 ANGL. DEV. = -3.1 DEGREES REMARK 500 ARG A 10 NE - CZ - NH2 ANGL. DEV. = 5.8 DEGREES REMARK 500 ASP A 14 CB - CG - OD1 ANGL. DEV. = 6.7 DEGREES REMARK 500 THR A 17 CA - CB - CG2 ANGL. DEV. = -9.6 DEGREES REMARK 500 ALA A 20 CB - CA - C ANGL. DEV. = 10.0 DEGREES REMARK 500 ALA A 20 N - CA - CB ANGL. DEV. = -10.9 DEGREES REMARK 500 TYR A 25 CB - CG - CD2 ANGL. DEV. = -6.1 DEGREES REMARK 500 TYR A 25 CD1 - CG - CD2 ANGL. DEV. = 6.6 DEGREES REMARK 500 ARG A 33 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES REMARK 500 LEU A 35 CA - CB - CG ANGL. DEV. = -14.7 DEGREES REMARK 500 PHE A 46 CB - CG - CD1 ANGL. DEV. = -6.3 DEGREES REMARK 500 ASP A 53 CB - CG - OD1 ANGL. DEV. = 6.6 DEGREES REMARK 500 ASP A 53 CB - CG - OD2 ANGL. DEV. = -7.4 DEGREES REMARK 500 THR A 70 N - CA - CB ANGL. DEV. = -11.6 DEGREES REMARK 500 TYR A 73 CB - CG - CD2 ANGL. DEV. = 7.7 DEGREES REMARK 500 TYR A 73 CB - CG - CD1 ANGL. DEV. = -5.8 DEGREES REMARK 500 TYR A 73 CG - CD2 - CE2 ANGL. DEV. = 6.0 DEGREES REMARK 500 SER A 80 N - CA - CB ANGL. DEV. = 9.2 DEGREES REMARK 500 SER A 80 O - C - N ANGL. DEV. = 13.4 DEGREES REMARK 500 GLU A 86 OE1 - CD - OE2 ANGL. DEV. = 12.5 DEGREES REMARK 500 PRO A 93 O - C - N ANGL. DEV. = 11.1 DEGREES REMARK 500 TYR A 97 N - CA - CB ANGL. DEV. = 11.2 DEGREES REMARK 500 TYR A 97 CB - CG - CD2 ANGL. DEV. = -8.1 DEGREES REMARK 500 TYR A 97 CD1 - CG - CD2 ANGL. DEV. = 6.8 DEGREES REMARK 500 TYR A 97 CG - CD2 - CE2 ANGL. DEV. = -5.1 DEGREES REMARK 500 TYR A 97 CA - C - N ANGL. DEV. = -14.4 DEGREES REMARK 500 TYR A 97 O - C - N ANGL. DEV. = 11.8 DEGREES REMARK 500 TYR A 115 O - C - N ANGL. DEV. = 9.8 DEGREES REMARK 500 PHE A 120 CB - CG - CD2 ANGL. DEV. = -5.4 DEGREES REMARK 500 SER A 123 N - CA - CB ANGL. DEV. = 10.0 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 HIS A 48 61.96 -101.87 REMARK 500 GLN A 60 -133.23 -107.15 REMARK 500 REMARK 500 REMARK: NULL DBREF 9RAT 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 N THR A 82 O 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 2.13 SSBOND 2 CYS A 40 CYS A 95 1555 1555 2.06 SSBOND 3 CYS A 58 CYS A 110 1555 1555 2.14 SSBOND 4 CYS A 65 CYS A 72 1555 1555 2.16 CISPEP 1 TYR A 92 PRO A 93 0 2.58 CISPEP 2 ASN A 113 PRO A 114 0 1.58 CRYST1 30.400 38.300 53.300 90.00 106.90 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 0.032895 0.000000 0.009994 0.00000 SCALE2 0.000000 0.026110 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019609 0.00000 ATOM 1 N LYS A 1 27.844 45.615 53.140 1.00 16.74 N ATOM 2 CA LYS A 1 27.543 44.351 52.528 1.00 7.77 C ATOM 3 C LYS A 1 26.897 44.619 51.151 1.00 18.82 C ATOM 4 O LYS A 1 26.549 45.807 50.896 1.00 22.89 O ATOM 5 CB LYS A 1 26.808 43.394 53.446 1.00 20.37 C ATOM 6 CG LYS A 1 25.754 44.045 54.313 1.00 34.16 C ATOM 7 CD LYS A 1 24.884 43.011 54.976 1.00 25.32 C ATOM 8 CE LYS A 1 23.380 43.317 54.823 1.00 49.51 C ATOM 9 NZ LYS A 1 23.100 43.356 53.344 1.00 20.34 N ATOM 10 N GLU A 2 26.750 43.624 50.335 1.00 16.43 N ATOM 11 CA GLU A 2 26.105 43.930 48.958 1.00 10.48 C ATOM 12 C GLU A 2 24.705 44.390 49.162 1.00 7.32 C ATOM 13 O GLU A 2 24.016 43.853 50.029 1.00 9.02 O ATOM 14 CB GLU A 2 26.109 42.704 48.142 1.00 20.92 C ATOM 15 CG GLU A 2 25.692 42.704 46.612 1.00 9.36 C ATOM 16 CD GLU A 2 25.481 41.249 46.306 1.00 1.21 C ATOM 17 OE1 GLU A 2 25.051 40.445 47.122 1.00 10.02 O ATOM 18 OE2 GLU A 2 25.793 40.828 45.082 1.00 10.89 O ATOM 19 N THR A 3 24.223 45.385 48.346 1.00 27.65 N ATOM 20 CA THR A 3 22.824 45.807 48.550 1.00 13.12 C ATOM 21 C THR A 3 21.840 44.773 47.887 1.00 4.19 C ATOM 22 O THR A 3 22.254 43.930 47.122 1.00 19.43 O ATOM 23 CB THR A 3 22.598 47.224 48.091 1.00 14.41 C ATOM 24 OG1 THR A 3 22.880 47.300 46.765 1.00 13.75 O ATOM 25 CG2 THR A 3 23.475 48.181 48.907 1.00 50.34 C ATOM 26 N ALA A 4 20.621 44.888 48.397 1.00 12.35 N ATOM 27 CA ALA A 4 19.499 44.045 47.887 1.00 5.94 C ATOM 28 C ALA A 4 19.401 44.466 46.408 1.00 17.41 C ATOM 29 O ALA A 4 19.162 43.585 45.592 1.00 20.51 O ATOM 30 CB ALA A 4 18.218 44.428 48.601 1.00 18.14 C ATOM 31 N ALA A 5 19.601 45.692 46.051 1.00 10.67 N ATOM 32 CA ALA A 5 19.563 46.190 44.674 1.00 7.79 C ATOM 33 C ALA A 5 20.692 45.500 43.858 1.00 20.43 C ATOM 34 O ALA A 5 20.471 45.117 42.685 1.00 7.87 O ATOM 35 CB ALA A 5 19.715 47.683 44.572 1.00 20.95 C ATOM 36 N ALA A 6 21.890 45.462 44.419 1.00 20.08 N ATOM 37 CA ALA A 6 23.049 44.888 43.705 1.00 24.94 C ATOM 38 C ALA A 6 22.959 43.317 43.603 1.00 11.99 C ATOM 39 O ALA A 6 23.496 42.819 42.634 1.00 6.99 O ATOM 40 CB ALA A 6 24.337 45.232 44.470 1.00 26.62 C ATOM 41 N LYS A 7 22.299 42.858 44.674 1.00 7.76 N ATOM 42 CA LYS A 7 22.116 41.364 44.776 1.00 10.92 C ATOM 43 C LYS A 7 21.241 40.943 43.552 1.00 9.98 C ATOM 44 O LYS A 7 21.382 39.947 42.889 1.00 4.85 O ATOM 45 CB LYS A 7 21.562 40.904 46.000 1.00 10.31 C ATOM 46 CG LYS A 7 21.363 39.372 46.255 1.00 18.78 C ATOM 47 CD LYS A 7 20.595 39.143 47.581 1.00 11.15 C ATOM 48 CE LYS A 7 19.971 37.764 47.632 1.00 55.55 C ATOM 49 NZ LYS A 7 18.511 37.840 47.836 1.00 29.31 N ATOM 50 N PHE A 8 20.178 41.785 43.450 1.00 11.93 N ATOM 51 CA PHE A 8 19.272 41.479 42.328 1.00 2.38 C ATOM 52 C PHE A 8 20.040 41.517 41.003 1.00 1.42 C ATOM 53 O PHE A 8 19.710 40.598 40.187 1.00 9.19 O ATOM 54 CB PHE A 8 18.102 42.551 42.277 1.00 8.05 C ATOM 55 CG PHE A 8 17.182 42.321 41.105 1.00 2.59 C ATOM 56 CD1 PHE A 8 17.371 42.858 39.881 1.00 26.59 C ATOM 57 CD2 PHE A 8 15.903 41.670 41.411 1.00 6.18 C ATOM 58 CE1 PHE A 8 16.404 42.666 38.861 1.00 13.39 C ATOM 59 CE2 PHE A 8 14.936 41.479 40.493 1.00 6.24 C ATOM 60 CZ PHE A 8 15.247 42.015 39.167 1.00 1.61 C ATOM 61 N GLU A 9 20.878 42.513 40.748 1.00 10.65 N ATOM 62 CA GLU A 9 21.554 42.475 39.422 1.00 15.20 C ATOM 63 C GLU A 9 22.360 41.249 39.269 1.00 25.39 C ATOM 64 O GLU A 9 22.473 40.598 38.198 1.00 4.35 O ATOM 65 CB GLU A 9 22.437 43.700 39.218 1.00 23.34 C ATOM 66 CG GLU A 9 21.815 45.079 38.963 1.00 23.07 C ATOM 67 CD GLU A 9 22.773 46.228 38.912 1.00 28.67 C ATOM 68 OE1 GLU A 9 23.811 45.998 38.198 1.00 26.62 O ATOM 69 OE2 GLU A 9 22.572 47.339 39.473 1.00 33.53 O ATOM 70 N ARG A 10 23.069 40.904 40.340 1.00 4.54 N ATOM 71 CA ARG A 10 23.981 39.717 40.340 1.00 2.88 C ATOM 72 C ARG A 10 23.162 38.453 40.034 1.00 0.63 C ATOM 73 O ARG A 10 23.607 37.572 39.269 1.00 10.79 O ATOM 74 CB ARG A 10 24.657 39.449 41.716 1.00 0.50 C ATOM 75 CG ARG A 10 25.644 38.300 41.767 1.00 6.05 C ATOM 76 CD ARG A 10 26.549 38.491 42.991 1.00 3.37 C ATOM 77 NE ARG A 10 25.783 38.453 44.113 1.00 6.60 N ATOM 78 CZ ARG A 10 25.292 37.457 44.827 1.00 6.77 C ATOM 79 NH1 ARG A 10 25.341 36.193 44.266 1.00 6.08 N ATOM 80 NH2 ARG A 10 24.602 37.572 46.000 1.00 9.35 N ATOM 81 N GLN A 11 22.094 38.185 40.748 1.00 5.06 N ATOM 82 CA GLN A 11 21.319 36.998 40.697 1.00 1.97 C ATOM 83 C GLN A 11 20.414 36.921 39.473 1.00 0.50 C ATOM 84 O GLN A 11 20.295 35.810 38.963 1.00 5.69 O ATOM 85 CB GLN A 11 20.308 36.959 41.920 1.00 2.88 C ATOM 86 CG GLN A 11 21.137 36.462 43.195 1.00 11.95 C ATOM 87 CD GLN A 11 20.173 36.040 44.266 1.00 15.05 C ATOM 88 OE1 GLN A 11 19.034 36.615 44.215 1.00 28.28 O ATOM 89 NE2 GLN A 11 20.487 35.121 45.133 1.00 37.20 N ATOM 90 N HIS A 12 19.915 38.108 39.014 1.00 10.60 N ATOM 91 CA HIS A 12 18.963 38.032 37.943 1.00 4.36 C ATOM 92 C HIS A 12 19.244 38.760 36.719 1.00 15.73 C ATOM 93 O HIS A 12 18.398 38.415 35.801 1.00 10.49 O ATOM 94 CB HIS A 12 17.562 38.606 38.453 1.00 9.01 C ATOM 95 CG HIS A 12 17.144 37.879 39.728 1.00 7.85 C ATOM 96 ND1 HIS A 12 16.750 36.538 39.626 1.00 1.60 N ATOM 97 CD2 HIS A 12 17.046 38.262 40.952 1.00 1.21 C ATOM 98 CE1 HIS A 12 16.317 36.193 40.850 1.00 1.50 C ATOM 99 NE2 HIS A 12 16.691 37.266 41.818 1.00 3.88 N ATOM 100 N MET A 13 20.278 39.564 36.617 1.00 9.68 N ATOM 101 CA MET A 13 20.438 40.292 35.291 1.00 11.95 C ATOM 102 C MET A 13 21.567 39.794 34.475 1.00 4.55 C ATOM 103 O MET A 13 22.690 39.449 34.781 1.00 11.43 O ATOM 104 CB MET A 13 20.726 41.824 35.444 1.00 19.12 C ATOM 105 CG MET A 13 19.582 42.551 36.107 1.00 27.05 C ATOM 106 SD MET A 13 18.083 42.590 35.138 1.00 9.77 S ATOM 107 CE MET A 13 18.685 42.819 33.455 1.00 17.08 C ATOM 108 N ASP A 14 21.180 39.602 33.149 1.00 6.75 N ATOM 109 CA ASP A 14 22.098 39.181 32.129 1.00 9.99 C ATOM 110 C ASP A 14 21.893 39.985 30.803 1.00 4.09 C ATOM 111 O ASP A 14 21.366 39.372 29.834 1.00 12.98 O ATOM 112 CB ASP A 14 22.100 37.687 31.721 1.00 8.02 C ATOM 113 CG ASP A 14 23.246 37.419 30.752 1.00 14.01 C ATOM 114 OD1 ASP A 14 24.099 38.223 30.446 1.00 9.84 O ATOM 115 OD2 ASP A 14 23.370 36.270 30.242 1.00 15.09 O ATOM 116 N SER A 15 22.318 41.249 30.803 1.00 2.75 N ATOM 117 CA SER A 15 22.310 42.130 29.630 1.00 11.33 C ATOM 118 C SER A 15 23.259 41.824 28.508 1.00 13.95 C ATOM 119 O SER A 15 23.189 42.551 27.437 1.00 14.35 O ATOM 120 CB SER A 15 22.657 43.624 30.089 1.00 1.54 C ATOM 121 OG SER A 15 21.345 43.892 30.803 1.00 11.85 O ATOM 122 N SER A 16 24.155 40.943 28.661 1.00 16.23 N ATOM 123 CA SER A 16 25.179 40.598 27.692 1.00 12.30 C ATOM 124 C SER A 16 24.759 39.640 26.570 1.00 9.75 C ATOM 125 O SER A 16 25.571 39.487 25.601 1.00 11.10 O ATOM 126 CB SER A 16 26.451 40.023 28.406 1.00 18.12 C ATOM 127 OG SER A 16 26.174 38.721 29.018 1.00 27.06 O ATOM 128 N THR A 17 23.710 38.989 26.723 1.00 8.37 N ATOM 129 CA THR A 17 23.152 38.032 25.856 1.00 8.69 C ATOM 130 C THR A 17 21.648 38.300 25.805 1.00 9.23 C ATOM 131 O THR A 17 21.080 38.645 26.774 1.00 9.09 O ATOM 132 CB THR A 17 23.408 36.500 26.315 1.00 1.74 C ATOM 133 OG1 THR A 17 22.732 36.308 27.539 1.00 11.97 O ATOM 134 CG2 THR A 17 24.883 36.385 26.264 1.00 7.32 C ATOM 135 N SER A 18 21.123 38.032 24.530 1.00 24.02 N ATOM 136 CA SER A 18 19.711 38.185 24.275 1.00 27.06 C ATOM 137 C SER A 18 18.873 36.959 24.632 1.00 13.87 C ATOM 138 O SER A 18 17.686 37.189 24.836 1.00 12.85 O ATOM 139 CB SER A 18 19.431 38.453 22.796 1.00 10.44 C ATOM 140 OG SER A 18 20.317 37.687 21.980 1.00 24.47 O ATOM 141 N ALA A 19 19.587 35.849 24.785 1.00 4.60 N ATOM 142 CA ALA A 19 18.870 34.585 25.142 1.00 10.28 C ATOM 143 C ALA A 19 19.947 33.589 25.601 1.00 24.83 C ATOM 144 O ALA A 19 21.073 33.896 25.295 1.00 8.48 O ATOM 145 CB ALA A 19 18.102 34.049 23.969 1.00 34.20 C ATOM 146 N ALA A 20 19.503 32.517 26.162 1.00 1.32 N ATOM 147 CA ALA A 20 20.519 31.444 26.519 1.00 4.77 C ATOM 148 C ALA A 20 20.891 30.755 25.295 1.00 33.17 C ATOM 149 O ALA A 20 19.937 30.295 24.632 1.00 11.32 O ATOM 150 CB ALA A 20 19.738 30.717 27.590 1.00 8.89 C ATOM 151 N SER A 21 22.125 30.640 24.836 1.00 15.92 N ATOM 152 CA SER A 21 22.375 29.951 23.510 1.00 48.64 C ATOM 153 C SER A 21 22.679 28.495 23.510 1.00 56.08 C ATOM 154 O SER A 21 22.853 27.959 22.337 1.00 17.62 O ATOM 155 CB SER A 21 23.534 30.717 22.898 1.00 58.65 C ATOM 156 OG SER A 21 24.577 30.640 23.867 1.00 25.62 O ATOM 157 N SER A 22 22.703 27.806 24.632 1.00 14.74 N ATOM 158 CA SER A 22 23.097 26.427 24.836 1.00 11.12 C ATOM 159 C SER A 22 22.497 25.891 26.111 1.00 22.87 C ATOM 160 O SER A 22 22.051 26.618 27.080 1.00 12.54 O ATOM 161 CB SER A 22 24.633 26.312 24.785 1.00 12.69 C ATOM 162 OG SER A 22 25.203 26.197 26.009 1.00 28.60 O ATOM 163 N SER A 23 22.375 24.589 26.213 1.00 11.23 N ATOM 164 CA SER A 23 21.836 23.937 27.386 1.00 11.15 C ATOM 165 C SER A 23 22.711 24.167 28.610 1.00 27.06 C ATOM 166 O SER A 23 22.248 24.091 29.732 1.00 15.66 O ATOM 167 CB SER A 23 21.534 22.444 27.080 1.00 6.39 C ATOM 168 OG SER A 23 22.887 21.869 27.029 1.00 11.72 O ATOM 169 N ASN A 24 23.958 24.589 28.406 1.00 8.89 N ATOM 170 CA ASN A 24 24.848 24.818 29.579 1.00 14.25 C ATOM 171 C ASN A 24 24.739 26.197 30.140 1.00 9.49 C ATOM 172 O ASN A 24 25.341 26.465 31.160 1.00 12.75 O ATOM 173 CB ASN A 24 26.296 24.512 29.018 1.00 4.58 C ATOM 174 CG ASN A 24 26.537 23.018 29.324 1.00 46.84 C ATOM 175 OD1 ASN A 24 26.485 22.597 30.497 1.00 50.93 O ATOM 176 ND2 ASN A 24 26.741 22.329 28.253 1.00 33.46 N ATOM 177 N TYR A 25 23.770 27.040 29.528 1.00 10.13 N ATOM 178 CA TYR A 25 23.767 28.419 30.038 1.00 7.23 C ATOM 179 C TYR A 25 23.697 28.495 31.568 1.00 13.52 C ATOM 180 O TYR A 25 24.514 29.223 32.180 1.00 12.45 O ATOM 181 CB TYR A 25 22.585 29.185 29.324 1.00 10.92 C ATOM 182 CG TYR A 25 22.476 30.602 29.783 1.00 15.42 C ATOM 183 CD1 TYR A 25 23.285 31.597 29.222 1.00 2.20 C ATOM 184 CD2 TYR A 25 21.497 30.831 30.803 1.00 8.38 C ATOM 185 CE1 TYR A 25 23.085 32.900 29.681 1.00 10.82 C ATOM 186 CE2 TYR A 25 21.358 32.134 31.262 1.00 16.70 C ATOM 187 CZ TYR A 25 22.136 33.130 30.701 1.00 17.78 C ATOM 188 OH TYR A 25 21.921 34.355 31.211 1.00 14.66 O ATOM 189 N CYS A 26 22.797 27.767 32.129 1.00 5.03 N ATOM 190 CA CYS A 26 22.454 27.767 33.557 1.00 13.91 C ATOM 191 C CYS A 26 23.605 27.308 34.373 1.00 11.12 C ATOM 192 O CYS A 26 24.055 27.921 35.393 1.00 5.66 O ATOM 193 CB CYS A 26 21.146 26.925 33.761 1.00 17.61 C ATOM 194 SG CYS A 26 19.674 27.959 33.404 1.00 7.63 S ATOM 195 N ASN A 27 24.231 26.197 33.914 1.00 2.10 N ATOM 196 CA ASN A 27 25.351 25.661 34.730 1.00 4.01 C ATOM 197 C ASN A 27 26.430 26.772 34.781 1.00 13.70 C ATOM 198 O ASN A 27 26.955 26.887 35.954 1.00 17.38 O ATOM 199 CB ASN A 27 25.900 24.320 34.322 1.00 5.00 C ATOM 200 CG ASN A 27 24.729 23.325 34.475 1.00 8.79 C ATOM 201 OD1 ASN A 27 23.949 23.440 35.342 1.00 6.85 O ATOM 202 ND2 ASN A 27 24.719 22.405 33.506 1.00 25.98 N ATOM 203 N GLN A 28 26.664 27.346 33.710 1.00 8.59 N ATOM 204 CA GLN A 28 27.744 28.342 33.557 1.00 18.64 C ATOM 205 C GLN A 28 27.451 29.606 34.322 1.00 20.94 C ATOM 206 O GLN A 28 28.251 30.065 35.189 1.00 19.98 O ATOM 207 CB GLN A 28 27.905 28.648 32.027 1.00 7.55 C ATOM 208 CG GLN A 28 28.866 27.653 31.364 1.00 7.85 C ATOM 209 CD GLN A 28 28.723 27.614 29.834 1.00 66.14 C ATOM 210 OE1 GLN A 28 27.936 28.380 29.222 1.00 58.42 O ATOM 211 NE2 GLN A 28 29.426 26.695 29.222 1.00 55.22 N ATOM 212 N MET A 29 26.251 30.065 34.169 1.00 5.40 N ATOM 213 CA MET A 29 25.700 31.329 34.781 1.00 14.75 C ATOM 214 C MET A 29 25.463 31.100 36.260 1.00 13.60 C ATOM 215 O MET A 29 25.824 32.019 37.076 1.00 11.31 O ATOM 216 CB MET A 29 24.442 31.866 34.118 1.00 15.00 C ATOM 217 CG MET A 29 24.602 32.478 32.792 1.00 13.65 C ATOM 218 SD MET A 29 25.924 33.781 32.843 1.00 18.40 S ATOM 219 CE MET A 29 24.765 35.083 33.455 1.00 25.36 C ATOM 220 N MET A 30 24.929 29.951 36.719 1.00 6.84 N ATOM 221 CA MET A 30 24.662 29.836 38.198 1.00 10.40 C ATOM 222 C MET A 30 25.949 29.874 38.963 1.00 18.98 C ATOM 223 O MET A 30 26.110 30.487 40.034 1.00 5.71 O ATOM 224 CB MET A 30 23.794 28.610 38.453 1.00 15.88 C ATOM 225 CG MET A 30 22.368 28.648 38.045 1.00 6.29 C ATOM 226 SD MET A 30 21.329 29.836 38.861 1.00 5.68 S ATOM 227 CE MET A 30 21.107 29.108 40.493 1.00 8.52 C ATOM 228 N LYS A 31 27.062 29.299 38.402 1.00 6.76 N ATOM 229 CA LYS A 31 28.336 29.261 39.014 1.00 13.21 C ATOM 230 C LYS A 31 28.973 30.640 39.116 1.00 46.18 C ATOM 231 O LYS A 31 29.286 31.100 40.187 1.00 22.43 O ATOM 232 CB LYS A 31 29.282 28.342 38.300 1.00 14.81 C ATOM 233 CG LYS A 31 30.493 27.882 39.116 1.00 12.31 C ATOM 234 CD LYS A 31 31.547 27.193 38.249 1.00 62.16 C ATOM 235 CE LYS A 31 32.728 26.695 39.065 1.00 65.52 C ATOM 236 NZ LYS A 31 33.767 26.159 38.147 1.00 40.03 N ATOM 237 N SER A 32 29.147 31.214 37.943 1.00 6.49 N ATOM 238 CA SER A 32 29.847 32.517 37.841 1.00 11.29 C ATOM 239 C SER A 32 29.129 33.589 38.504 1.00 11.96 C ATOM 240 O SER A 32 29.872 34.661 38.759 1.00 12.14 O ATOM 241 CB SER A 32 30.205 32.785 36.362 1.00 31.77 C ATOM 242 OG SER A 32 29.145 33.398 35.750 1.00 17.48 O ATOM 243 N ARG A 33 27.941 33.512 38.912 1.00 8.67 N ATOM 244 CA ARG A 33 27.253 34.623 39.677 1.00 6.98 C ATOM 245 C ARG A 33 27.381 34.317 41.156 1.00 1.05 C ATOM 246 O ARG A 33 26.722 35.006 42.022 1.00 10.55 O ATOM 247 CB ARG A 33 25.903 34.853 39.116 1.00 8.73 C ATOM 248 CG ARG A 33 25.896 35.581 37.739 1.00 3.21 C ATOM 249 CD ARG A 33 26.519 36.921 37.790 1.00 2.53 C ATOM 250 NE ARG A 33 26.405 37.457 36.362 1.00 9.34 N ATOM 251 CZ ARG A 33 25.298 38.070 35.903 1.00 7.33 C ATOM 252 NH1 ARG A 33 24.261 38.338 36.617 1.00 5.41 N ATOM 253 NH2 ARG A 33 25.184 38.453 34.577 1.00 6.63 N ATOM 254 N ASN A 34 28.032 33.168 41.513 1.00 3.24 N ATOM 255 CA ASN A 34 28.131 32.746 42.889 1.00 13.04 C ATOM 256 C ASN A 34 26.881 32.287 43.501 1.00 14.90 C ATOM 257 O ASN A 34 26.797 32.440 44.776 1.00 15.70 O ATOM 258 CB ASN A 34 28.825 33.857 43.705 1.00 9.94 C ATOM 259 CG ASN A 34 30.099 33.321 44.317 1.00 25.99 C ATOM 260 OD1 ASN A 34 30.999 32.823 43.654 1.00 32.96 O ATOM 261 ND2 ASN A 34 30.152 33.474 45.643 1.00 22.95 N ATOM 262 N LEU A 35 25.867 31.789 42.736 1.00 17.24 N ATOM 263 CA LEU A 35 24.647 31.329 43.348 1.00 14.78 C ATOM 264 C LEU A 35 24.781 29.912 43.909 1.00 8.03 C ATOM 265 O LEU A 35 23.774 29.491 44.521 1.00 16.15 O ATOM 266 CB LEU A 35 23.483 31.329 42.277 1.00 0.55 C ATOM 267 CG LEU A 35 23.547 32.861 41.767 1.00 7.79 C ATOM 268 CD1 LEU A 35 22.657 33.091 40.595 1.00 4.17 C ATOM 269 CD2 LEU A 35 23.130 33.742 42.940 1.00 20.87 C ATOM 270 N THR A 36 25.907 29.338 43.603 1.00 16.63 N ATOM 271 CA THR A 36 26.087 27.959 44.113 1.00 14.27 C ATOM 272 C THR A 36 27.190 27.882 45.184 1.00 20.27 C ATOM 273 O THR A 36 27.690 26.810 45.439 1.00 29.28 O ATOM 274 CB THR A 36 26.291 27.078 42.940 1.00 3.46 C ATOM 275 OG1 THR A 36 27.556 27.461 42.379 1.00 10.12 O ATOM 276 CG2 THR A 36 25.203 27.078 41.920 1.00 20.14 C ATOM 277 N LYS A 37 27.461 29.070 45.694 1.00 11.11 N ATOM 278 CA LYS A 37 28.580 29.070 46.714 1.00 16.48 C ATOM 279 C LYS A 37 28.284 28.189 47.887 1.00 6.32 C ATOM 280 O LYS A 37 29.180 27.308 48.142 1.00 14.13 O ATOM 281 CB LYS A 37 28.943 30.525 47.020 1.00 29.56 C ATOM 282 CG LYS A 37 30.447 30.755 47.173 1.00 52.19 C ATOM 283 CD LYS A 37 30.731 32.057 47.938 1.00 59.98 C ATOM 284 CE LYS A 37 32.190 32.363 48.040 1.00 60.88 C ATOM 285 NZ LYS A 37 32.791 32.440 46.663 1.00 60.80 N ATOM 286 N ASP A 38 27.247 28.380 48.601 1.00 13.86 N ATOM 287 CA ASP A 38 26.996 27.538 49.825 1.00 13.08 C ATOM 288 C ASP A 38 26.146 26.350 49.621 1.00 10.97 C ATOM 289 O ASP A 38 26.142 25.431 50.437 1.00 14.32 O ATOM 290 CB ASP A 38 26.443 28.457 50.947 1.00 32.69 C ATOM 291 CG ASP A 38 27.323 29.644 51.253 1.00 49.86 C ATOM 292 OD1 ASP A 38 28.552 29.491 51.508 1.00 15.86 O ATOM 293 OD2 ASP A 38 26.776 30.755 51.151 1.00 26.21 O ATOM 294 N ARG A 39 25.317 26.465 48.550 1.00 5.18 N ATOM 295 CA ARG A 39 24.375 25.316 48.346 1.00 1.98 C ATOM 296 C ARG A 39 23.714 25.431 47.020 1.00 1.68 C ATOM 297 O ARG A 39 24.022 26.465 46.306 1.00 4.90 O ATOM 298 CB ARG A 39 23.214 25.355 49.366 1.00 8.96 C ATOM 299 CG ARG A 39 22.349 26.580 49.213 1.00 19.05 C ATOM 300 CD ARG A 39 21.612 26.963 50.437 1.00 22.16 C ATOM 301 NE ARG A 39 20.808 28.150 50.182 1.00 70.24 N ATOM 302 CZ ARG A 39 19.626 28.036 49.570 1.00 73.64 C ATOM 303 NH1 ARG A 39 19.203 26.810 49.162 1.00 19.05 N ATOM 304 NH2 ARG A 39 18.867 29.108 49.366 1.00 56.90 N ATOM 305 N CYS A 40 23.033 24.435 46.561 1.00 11.49 N ATOM 306 CA CYS A 40 22.494 24.589 45.133 1.00 6.06 C ATOM 307 C CYS A 40 21.308 25.469 45.235 1.00 0.68 C ATOM 308 O CYS A 40 20.286 25.010 45.796 1.00 7.17 O ATOM 309 CB CYS A 40 22.315 23.248 44.521 1.00 16.17 C ATOM 310 SG CYS A 40 23.821 22.291 44.266 1.00 7.34 S ATOM 311 N LYS A 41 21.266 26.657 44.572 1.00 17.91 N ATOM 312 CA LYS A 41 20.065 27.461 44.623 1.00 9.01 C ATOM 313 C LYS A 41 19.128 26.580 43.705 1.00 14.72 C ATOM 314 O LYS A 41 19.621 26.197 42.583 1.00 13.19 O ATOM 315 CB LYS A 41 20.114 28.878 44.062 1.00 6.43 C ATOM 316 CG LYS A 41 18.834 29.721 44.470 1.00 36.22 C ATOM 317 CD LYS A 41 18.808 31.100 43.858 1.00 40.54 C ATOM 318 CE LYS A 41 17.348 31.712 43.858 1.00 8.46 C ATOM 319 NZ LYS A 41 17.444 33.015 43.144 1.00 54.72 N ATOM 320 N PRO A 42 18.046 26.159 44.164 1.00 19.62 N ATOM 321 CA PRO A 42 17.153 25.240 43.501 1.00 10.82 C ATOM 322 C PRO A 42 16.583 25.738 42.175 1.00 29.78 C ATOM 323 O PRO A 42 16.376 25.048 41.156 1.00 13.02 O ATOM 324 CB PRO A 42 16.098 24.780 44.470 1.00 24.30 C ATOM 325 CG PRO A 42 16.092 25.814 45.592 1.00 36.92 C ATOM 326 CD PRO A 42 17.475 26.465 45.541 1.00 13.14 C ATOM 327 N VAL A 43 16.279 27.001 42.073 1.00 5.21 N ATOM 328 CA VAL A 43 15.662 27.767 41.003 1.00 24.50 C ATOM 329 C VAL A 43 16.118 29.185 41.003 1.00 3.67 C ATOM 330 O VAL A 43 16.280 29.912 41.971 1.00 14.81 O ATOM 331 CB VAL A 43 14.111 27.691 41.207 1.00 2.16 C ATOM 332 CG1 VAL A 43 13.370 28.840 40.544 1.00 18.74 C ATOM 333 CG2 VAL A 43 13.490 26.350 40.748 1.00 10.08 C ATOM 334 N ASN A 44 16.293 29.721 39.728 1.00 5.49 N ATOM 335 CA ASN A 44 16.689 31.100 39.524 1.00 11.37 C ATOM 336 C ASN A 44 16.318 31.444 38.045 1.00 12.52 C ATOM 337 O ASN A 44 16.383 30.602 37.229 1.00 21.72 O ATOM 338 CB ASN A 44 18.162 31.406 39.779 1.00 18.28 C ATOM 339 CG ASN A 44 18.481 32.938 39.830 1.00 2.24 C ATOM 340 OD1 ASN A 44 18.127 33.627 40.697 1.00 24.50 O ATOM 341 ND2 ASN A 44 19.323 33.321 38.861 1.00 7.56 N ATOM 342 N THR A 45 15.939 32.670 37.892 1.00 2.95 N ATOM 343 CA THR A 45 15.582 33.244 36.566 1.00 6.11 C ATOM 344 C THR A 45 16.526 34.393 36.158 1.00 11.45 C ATOM 345 O THR A 45 16.780 35.274 37.025 1.00 13.02 O ATOM 346 CB THR A 45 14.122 33.819 36.668 1.00 0.50 C ATOM 347 OG1 THR A 45 13.360 32.746 37.076 1.00 5.37 O ATOM 348 CG2 THR A 45 13.856 34.547 35.342 1.00 5.89 C ATOM 349 N PHE A 46 17.065 34.432 34.985 1.00 10.31 N ATOM 350 CA PHE A 46 17.904 35.504 34.424 1.00 2.34 C ATOM 351 C PHE A 46 17.059 36.308 33.404 1.00 7.71 C ATOM 352 O PHE A 46 16.365 35.696 32.486 1.00 6.95 O ATOM 353 CB PHE A 46 19.276 35.159 33.812 1.00 1.97 C ATOM 354 CG PHE A 46 20.213 34.508 34.832 1.00 0.50 C ATOM 355 CD1 PHE A 46 20.136 33.091 34.883 1.00 7.66 C ATOM 356 CD2 PHE A 46 21.151 35.236 35.546 1.00 25.03 C ATOM 357 CE1 PHE A 46 20.997 32.478 35.852 1.00 1.90 C ATOM 358 CE2 PHE A 46 22.012 34.585 36.413 1.00 15.00 C ATOM 359 CZ PHE A 46 21.935 33.206 36.566 1.00 15.07 C ATOM 360 N VAL A 47 17.241 37.572 33.506 1.00 6.00 N ATOM 361 CA VAL A 47 16.517 38.491 32.588 1.00 6.39 C ATOM 362 C VAL A 47 17.510 39.028 31.619 1.00 8.85 C ATOM 363 O VAL A 47 18.572 39.602 31.925 1.00 9.64 O ATOM 364 CB VAL A 47 15.646 39.526 33.353 1.00 0.50 C ATOM 365 CG1 VAL A 47 14.953 40.521 32.333 1.00 3.90 C ATOM 366 CG2 VAL A 47 14.652 38.951 34.322 1.00 13.43 C ATOM 367 N HIS A 48 17.214 38.875 30.293 1.00 3.59 N ATOM 368 CA HIS A 48 18.011 39.257 29.171 1.00 7.93 C ATOM 369 C HIS A 48 17.589 40.560 28.457 1.00 17.33 C ATOM 370 O HIS A 48 17.155 40.636 27.284 1.00 14.45 O ATOM 371 CB HIS A 48 17.956 38.262 28.049 1.00 6.96 C ATOM 372 CG HIS A 48 18.562 36.883 28.457 1.00 0.50 C ATOM 373 ND1 HIS A 48 19.930 36.730 28.559 1.00 9.82 N ATOM 374 CD2 HIS A 48 17.845 35.811 28.916 1.00 21.21 C ATOM 375 CE1 HIS A 48 19.973 35.427 28.916 1.00 7.50 C ATOM 376 NE2 HIS A 48 18.846 34.891 29.222 1.00 19.95 N ATOM 377 N GLU A 49 17.676 41.594 29.273 1.00 9.62 N ATOM 378 CA GLU A 49 17.282 42.934 28.967 1.00 1.80 C ATOM 379 C GLU A 49 18.084 44.007 29.630 1.00 6.94 C ATOM 380 O GLU A 49 18.945 43.700 30.599 1.00 7.55 O ATOM 381 CB GLU A 49 15.790 43.164 29.477 1.00 17.48 C ATOM 382 CG GLU A 49 14.638 42.283 28.967 1.00 7.31 C ATOM 383 CD GLU A 49 14.297 42.398 27.488 1.00 28.18 C ATOM 384 OE1 GLU A 49 14.589 43.509 26.927 1.00 17.28 O ATOM 385 OE2 GLU A 49 13.798 41.479 26.927 1.00 4.76 O ATOM 386 N SER A 50 17.934 45.194 29.222 1.00 7.34 N ATOM 387 CA SER A 50 18.539 46.343 29.834 1.00 8.62 C ATOM 388 C SER A 50 18.166 46.496 31.262 1.00 8.11 C ATOM 389 O SER A 50 17.038 46.266 31.772 1.00 10.84 O ATOM 390 CB SER A 50 17.981 47.645 29.069 1.00 6.27 C ATOM 391 OG SER A 50 18.998 48.641 29.222 1.00 24.30 O ATOM 392 N LEU A 51 19.164 46.956 32.078 1.00 6.51 N ATOM 393 CA LEU A 51 18.974 47.224 33.506 1.00 15.51 C ATOM 394 C LEU A 51 17.833 48.181 33.659 1.00 12.94 C ATOM 395 O LEU A 51 16.871 48.028 34.424 1.00 6.66 O ATOM 396 CB LEU A 51 20.324 47.913 33.863 1.00 19.10 C ATOM 397 CG LEU A 51 20.803 47.722 35.291 1.00 30.15 C ATOM 398 CD1 LEU A 51 20.176 46.496 35.852 1.00 45.47 C ATOM 399 CD2 LEU A 51 22.323 47.722 35.291 1.00 40.09 C ATOM 400 N ALA A 52 17.914 49.215 32.792 1.00 18.20 N ATOM 401 CA ALA A 52 16.957 50.326 32.741 1.00 10.50 C ATOM 402 C ALA A 52 15.544 49.943 32.486 1.00 0.50 C ATOM 403 O ALA A 52 14.537 50.364 33.200 1.00 9.17 O ATOM 404 CB ALA A 52 17.510 51.322 31.721 1.00 6.50 C ATOM 405 N ASP A 53 15.367 48.909 31.568 1.00 2.50 N ATOM 406 CA ASP A 53 14.032 48.411 31.262 1.00 16.14 C ATOM 407 C ASP A 53 13.432 47.569 32.435 1.00 0.50 C ATOM 408 O ASP A 53 12.200 47.645 32.588 1.00 14.70 O ATOM 409 CB ASP A 53 13.978 47.683 29.936 1.00 18.78 C ATOM 410 CG ASP A 53 14.153 48.373 28.661 1.00 24.06 C ATOM 411 OD1 ASP A 53 14.108 49.598 28.508 1.00 16.04 O ATOM 412 OD2 ASP A 53 14.280 47.569 27.743 1.00 22.73 O ATOM 413 N VAL A 54 14.340 46.917 33.149 1.00 8.47 N ATOM 414 CA VAL A 54 13.862 46.113 34.322 1.00 5.32 C ATOM 415 C VAL A 54 13.551 47.071 35.444 1.00 8.10 C ATOM 416 O VAL A 54 12.574 46.841 36.158 1.00 10.82 O ATOM 417 CB VAL A 54 14.863 45.002 34.628 1.00 4.36 C ATOM 418 CG1 VAL A 54 14.506 44.275 36.005 1.00 14.03 C ATOM 419 CG2 VAL A 54 14.854 43.892 33.557 1.00 2.43 C ATOM 420 N GLN A 55 14.432 48.066 35.546 1.00 1.91 N ATOM 421 CA GLN A 55 14.122 49.062 36.668 1.00 13.37 C ATOM 422 C GLN A 55 12.816 49.790 36.464 1.00 6.33 C ATOM 423 O GLN A 55 12.172 50.096 37.484 1.00 2.49 O ATOM 424 CB GLN A 55 15.215 50.096 36.872 1.00 15.40 C ATOM 425 CG GLN A 55 16.442 49.445 37.637 1.00 10.95 C ATOM 426 CD GLN A 55 17.644 50.364 37.382 1.00 26.98 C ATOM 427 OE1 GLN A 55 17.649 51.169 36.464 1.00 25.16 O ATOM 428 NE2 GLN A 55 18.597 50.211 38.249 1.00 30.03 N ATOM 429 N ALA A 56 12.474 49.943 35.189 1.00 16.19 N ATOM 430 CA ALA A 56 11.168 50.633 34.883 1.00 19.27 C ATOM 431 C ALA A 56 9.965 49.905 35.342 1.00 37.47 C ATOM 432 O ALA A 56 8.870 50.518 35.444 1.00 7.88 O ATOM 433 CB ALA A 56 11.238 50.862 33.353 1.00 3.16 C ATOM 434 N VAL A 57 10.085 48.641 35.648 1.00 14.16 N ATOM 435 CA VAL A 57 8.927 47.837 36.056 1.00 3.73 C ATOM 436 C VAL A 57 8.342 48.335 37.382 1.00 6.26 C ATOM 437 O VAL A 57 7.169 48.105 37.739 1.00 14.66 O ATOM 438 CB VAL A 57 9.323 46.343 35.954 1.00 5.96 C ATOM 439 CG1 VAL A 57 8.194 45.539 36.566 1.00 6.35 C ATOM 440 CG2 VAL A 57 9.559 45.883 34.577 1.00 11.78 C ATOM 441 N CYS A 58 9.296 49.062 38.045 1.00 4.91 N ATOM 442 CA CYS A 58 8.832 49.560 39.371 1.00 8.35 C ATOM 443 C CYS A 58 7.754 50.594 39.218 1.00 12.64 C ATOM 444 O CYS A 58 7.246 51.092 40.289 1.00 15.89 O ATOM 445 CB CYS A 58 9.997 50.058 40.238 1.00 10.69 C ATOM 446 SG CYS A 58 11.029 48.564 40.646 1.00 9.77 S ATOM 447 N SER A 59 7.472 51.016 38.045 1.00 21.63 N ATOM 448 CA SER A 59 6.409 52.088 37.841 1.00 8.24 C ATOM 449 C SER A 59 5.411 51.552 36.821 1.00 18.35 C ATOM 450 O SER A 59 4.838 52.318 36.107 1.00 17.07 O ATOM 451 CB SER A 59 7.080 53.390 37.433 1.00 16.61 C ATOM 452 OG SER A 59 7.529 53.160 36.056 1.00 27.33 O ATOM 453 N GLN A 60 5.274 50.211 36.872 1.00 16.87 N ATOM 454 CA GLN A 60 4.276 49.598 35.954 1.00 6.48 C ATOM 455 C GLN A 60 3.071 49.139 36.719 1.00 4.17 C ATOM 456 O GLN A 60 2.413 49.828 37.586 1.00 16.27 O ATOM 457 CB GLN A 60 5.011 48.641 35.036 1.00 9.16 C ATOM 458 CG GLN A 60 5.929 49.369 34.118 1.00 9.01 C ATOM 459 CD GLN A 60 6.770 48.564 33.149 1.00 6.85 C ATOM 460 OE1 GLN A 60 6.574 47.377 32.894 1.00 15.52 O ATOM 461 NE2 GLN A 60 7.747 49.254 32.537 1.00 9.36 N ATOM 462 N LYS A 61 2.601 47.913 36.464 1.00 14.92 N ATOM 463 CA LYS A 61 1.397 47.377 37.025 1.00 14.41 C ATOM 464 C LYS A 61 1.663 46.841 38.453 1.00 11.48 C ATOM 465 O LYS A 61 2.331 45.883 38.555 1.00 10.40 O ATOM 466 CB LYS A 61 0.824 46.113 36.311 1.00 15.39 C ATOM 467 CG LYS A 61 -0.502 45.730 36.974 1.00 19.37 C ATOM 468 CD LYS A 61 -1.607 45.232 36.107 1.00 57.56 C ATOM 469 CE LYS A 61 -2.858 44.926 36.923 1.00 36.84 C ATOM 470 NZ LYS A 61 -3.439 46.190 37.535 1.00 19.61 N ATOM 471 N ASN A 62 0.897 47.492 39.371 1.00 13.71 N ATOM 472 CA ASN A 62 1.041 47.032 40.799 1.00 12.23 C ATOM 473 C ASN A 62 0.083 45.845 40.952 1.00 10.17 C ATOM 474 O ASN A 62 -1.086 45.807 40.697 1.00 32.36 O ATOM 475 CB ASN A 62 0.838 48.181 41.767 1.00 13.29 C ATOM 476 CG ASN A 62 0.906 47.875 43.246 1.00 13.59 C ATOM 477 OD1 ASN A 62 0.019 48.181 44.062 1.00 15.44 O ATOM 478 ND2 ASN A 62 1.967 47.147 43.756 1.00 12.53 N ATOM 479 N VAL A 63 0.763 44.811 41.614 1.00 12.73 N ATOM 480 CA VAL A 63 0.108 43.509 41.869 1.00 7.21 C ATOM 481 C VAL A 63 0.556 42.973 43.195 1.00 8.50 C ATOM 482 O VAL A 63 1.587 43.470 43.705 1.00 14.96 O ATOM 483 CB VAL A 63 0.434 42.590 40.697 1.00 15.62 C ATOM 484 CG1 VAL A 63 0.000 43.279 39.422 1.00 5.96 C ATOM 485 CG2 VAL A 63 1.878 42.092 40.646 1.00 9.32 C ATOM 486 N ALA A 64 -0.253 42.130 43.756 1.00 10.67 N ATOM 487 CA ALA A 64 0.165 41.555 45.082 1.00 15.13 C ATOM 488 C ALA A 64 1.247 40.521 44.725 1.00 8.10 C ATOM 489 O ALA A 64 1.131 39.794 43.705 1.00 11.15 O ATOM 490 CB ALA A 64 -0.934 40.904 45.898 1.00 11.51 C ATOM 491 N CYS A 65 2.214 40.368 45.643 1.00 17.02 N ATOM 492 CA CYS A 65 3.294 39.411 45.490 1.00 16.09 C ATOM 493 C CYS A 65 2.699 38.032 45.847 1.00 13.07 C ATOM 494 O CYS A 65 1.647 37.955 46.510 1.00 5.53 O ATOM 495 CB CYS A 65 4.551 39.679 46.357 1.00 19.72 C ATOM 496 SG CYS A 65 5.113 41.364 46.306 1.00 14.21 S ATOM 497 N LYS A 66 3.340 37.036 45.439 1.00 9.62 N ATOM 498 CA LYS A 66 2.852 35.619 45.745 1.00 17.54 C ATOM 499 C LYS A 66 2.691 35.466 47.275 1.00 25.69 C ATOM 500 O LYS A 66 1.868 34.585 47.683 1.00 24.28 O ATOM 501 CB LYS A 66 3.615 34.508 45.235 1.00 5.85 C ATOM 502 CG LYS A 66 4.109 34.547 43.807 1.00 18.22 C ATOM 503 CD LYS A 66 5.023 33.321 43.501 1.00 34.51 C ATOM 504 CE LYS A 66 4.986 32.976 42.022 1.00 63.06 C ATOM 505 NZ LYS A 66 6.098 32.095 41.665 1.00 31.54 N ATOM 506 N ASN A 67 3.462 36.232 48.040 1.00 5.92 N ATOM 507 CA ASN A 67 3.301 36.117 49.570 1.00 2.64 C ATOM 508 C ASN A 67 2.310 37.113 50.131 1.00 46.98 C ATOM 509 O ASN A 67 2.287 37.189 51.406 1.00 16.88 O ATOM 510 CB ASN A 67 4.680 36.193 50.233 1.00 16.44 C ATOM 511 CG ASN A 67 5.242 37.572 50.386 1.00 31.91 C ATOM 512 OD1 ASN A 67 4.912 38.453 49.570 1.00 14.52 O ATOM 513 ND2 ASN A 67 6.087 37.879 51.406 1.00 20.15 N ATOM 514 N GLY A 68 1.554 37.840 49.315 1.00 5.67 N ATOM 515 CA GLY A 68 0.624 38.798 49.876 1.00 6.68 C ATOM 516 C GLY A 68 1.201 40.177 49.978 1.00 7.25 C ATOM 517 O GLY A 68 0.395 41.172 50.131 1.00 5.32 O ATOM 518 N GLN A 69 2.494 40.330 49.825 1.00 8.16 N ATOM 519 CA GLN A 69 3.101 41.709 49.927 1.00 19.06 C ATOM 520 C GLN A 69 2.485 42.513 48.754 1.00 22.21 C ATOM 521 O GLN A 69 2.111 41.862 47.785 1.00 14.64 O ATOM 522 CB GLN A 69 4.591 41.824 49.927 1.00 24.87 C ATOM 523 CG GLN A 69 5.405 41.670 51.151 1.00 41.78 C ATOM 524 CD GLN A 69 6.881 41.441 50.896 1.00 17.16 C ATOM 525 OE1 GLN A 69 7.455 40.521 51.508 1.00 31.16 O ATOM 526 NE2 GLN A 69 7.463 42.207 49.978 1.00 7.75 N ATOM 527 N THR A 70 2.514 43.777 48.958 1.00 12.45 N ATOM 528 CA THR A 70 1.805 44.734 47.989 1.00 11.81 C ATOM 529 C THR A 70 2.752 45.654 47.275 1.00 14.53 C ATOM 530 O THR A 70 2.284 46.573 46.612 1.00 18.47 O ATOM 531 CB THR A 70 0.751 45.309 48.958 1.00 24.19 C ATOM 532 OG1 THR A 70 -0.523 44.773 48.550 1.00 13.99 O ATOM 533 CG2 THR A 70 0.810 46.726 49.264 1.00 1.73 C ATOM 534 N ASN A 71 4.059 45.347 47.275 1.00 3.33 N ATOM 535 CA ASN A 71 5.081 46.151 46.612 1.00 13.11 C ATOM 536 C ASN A 71 5.575 45.424 45.388 1.00 3.05 C ATOM 537 O ASN A 71 6.762 45.577 45.082 1.00 5.71 O ATOM 538 CB ASN A 71 6.185 46.534 47.581 1.00 11.43 C ATOM 539 CG ASN A 71 6.927 45.347 48.142 1.00 8.70 C ATOM 540 OD1 ASN A 71 6.332 44.275 48.499 1.00 16.74 O ATOM 541 ND2 ASN A 71 8.249 45.385 48.193 1.00 18.92 N ATOM 542 N CYS A 72 4.742 44.581 44.827 1.00 8.58 N ATOM 543 CA CYS A 72 5.099 43.892 43.552 1.00 9.25 C ATOM 544 C CYS A 72 4.589 44.696 42.328 1.00 7.10 C ATOM 545 O CYS A 72 3.601 45.424 42.379 1.00 11.16 O ATOM 546 CB CYS A 72 4.643 42.436 43.552 1.00 4.75 C ATOM 547 SG CYS A 72 5.961 41.364 44.317 1.00 16.47 S ATOM 548 N TYR A 73 5.355 44.390 41.309 1.00 7.78 N ATOM 549 CA TYR A 73 5.059 45.079 39.983 1.00 14.68 C ATOM 550 C TYR A 73 5.156 44.122 38.861 1.00 10.31 C ATOM 551 O TYR A 73 6.130 43.394 38.759 1.00 12.24 O ATOM 552 CB TYR A 73 5.775 46.420 39.728 1.00 11.20 C ATOM 553 CG TYR A 73 5.434 47.492 40.748 1.00 5.38 C ATOM 554 CD1 TYR A 73 6.218 47.454 41.971 1.00 1.45 C ATOM 555 CD2 TYR A 73 4.477 48.411 40.697 1.00 6.33 C ATOM 556 CE1 TYR A 73 5.923 48.373 43.042 1.00 8.09 C ATOM 557 CE2 TYR A 73 4.152 49.330 41.665 1.00 17.98 C ATOM 558 CZ TYR A 73 4.875 49.254 42.889 1.00 16.69 C ATOM 559 OH TYR A 73 4.641 50.173 43.858 1.00 17.57 O ATOM 560 N GLN A 74 4.159 44.313 37.943 1.00 9.15 N ATOM 561 CA GLN A 74 4.226 43.394 36.719 1.00 12.94 C ATOM 562 C GLN A 74 4.477 44.198 35.495 1.00 4.86 C ATOM 563 O GLN A 74 3.825 45.271 35.240 1.00 12.37 O ATOM 564 CB GLN A 74 3.056 42.436 36.668 1.00 13.15 C ATOM 565 CG GLN A 74 3.019 41.709 35.291 1.00 7.80 C ATOM 566 CD GLN A 74 1.668 41.211 34.934 1.00 46.99 C ATOM 567 OE1 GLN A 74 0.933 40.789 35.852 1.00 22.67 O ATOM 568 NE2 GLN A 74 1.326 41.249 33.659 1.00 46.52 N ATOM 569 N SER A 75 5.469 43.777 34.730 1.00 8.91 N ATOM 570 CA SER A 75 5.948 44.275 33.455 1.00 7.81 C ATOM 571 C SER A 75 4.752 44.275 32.486 1.00 5.99 C ATOM 572 O SER A 75 3.948 43.317 32.333 1.00 11.15 O ATOM 573 CB SER A 75 7.136 43.624 32.945 1.00 4.80 C ATOM 574 OG SER A 75 6.911 42.283 32.384 1.00 4.43 O ATOM 575 N TYR A 76 4.680 45.424 31.823 1.00 21.15 N ATOM 576 CA TYR A 76 3.622 45.577 30.803 1.00 18.30 C ATOM 577 C TYR A 76 4.009 44.619 29.630 1.00 24.05 C ATOM 578 O TYR A 76 3.115 43.968 29.171 1.00 26.40 O ATOM 579 CB TYR A 76 3.579 47.032 30.344 1.00 14.23 C ATOM 580 CG TYR A 76 2.965 47.990 31.364 1.00 16.35 C ATOM 581 CD1 TYR A 76 1.882 47.607 32.129 1.00 16.83 C ATOM 582 CD2 TYR A 76 3.451 49.292 31.466 1.00 15.66 C ATOM 583 CE1 TYR A 76 1.329 48.488 33.047 1.00 18.66 C ATOM 584 CE2 TYR A 76 2.899 50.173 32.384 1.00 28.74 C ATOM 585 CZ TYR A 76 1.815 49.790 33.149 1.00 12.64 C ATOM 586 OH TYR A 76 1.323 50.671 34.067 1.00 27.36 O ATOM 587 N SER A 77 5.288 44.619 29.324 1.00 12.05 N ATOM 588 CA SER A 77 5.886 43.853 28.253 1.00 24.42 C ATOM 589 C SER A 77 6.386 42.475 28.610 1.00 28.11 C ATOM 590 O SER A 77 6.622 42.283 29.834 1.00 10.27 O ATOM 591 CB SER A 77 7.166 44.619 27.743 1.00 28.02 C ATOM 592 OG SER A 77 7.690 43.930 26.621 1.00 78.86 O ATOM 593 N THR A 78 6.574 41.632 27.590 1.00 8.22 N ATOM 594 CA THR A 78 7.135 40.330 27.845 1.00 15.58 C ATOM 595 C THR A 78 8.640 40.675 27.794 1.00 12.04 C ATOM 596 O THR A 78 8.918 41.670 27.080 1.00 11.53 O ATOM 597 CB THR A 78 6.670 39.257 26.876 1.00 16.81 C ATOM 598 OG1 THR A 78 7.133 39.870 25.652 1.00 19.05 O ATOM 599 CG2 THR A 78 5.181 39.028 26.774 1.00 18.94 C ATOM 600 N MET A 79 9.397 39.870 28.406 1.00 20.36 N ATOM 601 CA MET A 79 10.841 39.985 28.457 1.00 26.33 C ATOM 602 C MET A 79 11.510 38.645 28.253 1.00 5.34 C ATOM 603 O MET A 79 10.855 37.611 28.508 1.00 9.48 O ATOM 604 CB MET A 79 11.304 40.521 29.834 1.00 9.31 C ATOM 605 CG MET A 79 10.923 42.015 29.885 1.00 28.95 C ATOM 606 SD MET A 79 11.492 42.590 31.517 1.00 12.28 S ATOM 607 CE MET A 79 10.885 44.313 31.313 1.00 15.48 C ATOM 608 N SER A 80 12.669 38.645 27.641 1.00 9.11 N ATOM 609 CA SER A 80 13.507 37.496 27.386 1.00 6.99 C ATOM 610 C SER A 80 14.061 36.959 28.763 1.00 6.96 C ATOM 611 O SER A 80 14.742 37.764 29.324 1.00 8.74 O ATOM 612 CB SER A 80 14.546 37.572 26.366 1.00 7.83 C ATOM 613 OG SER A 80 15.459 36.500 26.264 1.00 16.43 O ATOM 614 N ILE A 81 13.512 35.811 29.069 1.00 1.81 N ATOM 615 CA ILE A 81 14.082 35.274 30.395 1.00 9.09 C ATOM 616 C ILE A 81 14.661 33.896 30.191 1.00 13.81 C ATOM 617 O ILE A 81 14.271 33.091 29.273 1.00 8.07 O ATOM 618 CB ILE A 81 12.997 35.313 31.364 1.00 3.93 C ATOM 619 CG1 ILE A 81 11.738 34.508 31.007 1.00 10.19 C ATOM 620 CG2 ILE A 81 12.675 36.768 31.823 1.00 4.46 C ATOM 621 CD1 ILE A 81 10.911 33.972 32.129 1.00 16.86 C ATOM 622 N THR A 82 15.537 33.513 31.109 1.00 13.88 N ATOM 623 CA THR A 82 16.114 32.210 31.211 1.00 9.14 C ATOM 624 C THR A 82 15.711 31.559 32.537 1.00 13.08 C ATOM 625 O THR A 82 16.024 32.134 33.608 1.00 7.44 O ATOM 626 CB THR A 82 17.605 32.095 31.007 1.00 3.86 C ATOM 627 OG1 THR A 82 17.841 32.478 29.630 1.00 7.04 O ATOM 628 CG2 THR A 82 18.136 30.678 31.262 1.00 12.78 C ATOM 629 N ASP A 83 15.028 30.410 32.384 1.00 8.39 N ATOM 630 CA ASP A 83 14.595 29.797 33.710 1.00 3.54 C ATOM 631 C ASP A 83 15.703 28.763 34.067 1.00 11.37 C ATOM 632 O ASP A 83 16.072 27.959 33.251 1.00 8.05 O ATOM 633 CB ASP A 83 13.197 29.261 33.608 1.00 27.04 C ATOM 634 CG ASP A 83 12.309 29.721 34.730 1.00 55.40 C ATOM 635 OD1 ASP A 83 12.318 29.070 35.801 1.00 46.70 O ATOM 636 OD2 ASP A 83 11.641 30.755 34.526 1.00 42.53 O ATOM 637 N CYS A 84 16.120 28.687 35.393 1.00 4.98 N ATOM 638 CA CYS A 84 17.152 27.653 35.699 1.00 19.65 C ATOM 639 C CYS A 84 16.568 26.810 36.821 1.00 21.78 C ATOM 640 O CYS A 84 16.091 27.423 37.790 1.00 16.58 O ATOM 641 CB CYS A 84 18.457 28.342 36.209 1.00 17.94 C ATOM 642 SG CYS A 84 19.284 29.338 34.985 1.00 7.92 S ATOM 643 N ARG A 85 16.387 25.546 36.617 1.00 3.27 N ATOM 644 CA ARG A 85 15.849 24.550 37.586 1.00 15.82 C ATOM 645 C ARG A 85 16.820 23.478 37.892 1.00 22.29 C ATOM 646 O ARG A 85 17.373 22.788 36.974 1.00 9.39 O ATOM 647 CB ARG A 85 14.607 23.976 36.872 1.00 19.90 C ATOM 648 CG ARG A 85 13.660 23.133 37.688 1.00 13.88 C ATOM 649 CD ARG A 85 12.488 24.052 38.045 1.00 58.32 C ATOM 650 NE ARG A 85 12.115 24.742 36.770 1.00 28.11 N ATOM 651 CZ ARG A 85 11.263 25.776 36.872 1.00 53.20 C ATOM 652 NH1 ARG A 85 10.907 26.312 38.045 1.00 45.48 N ATOM 653 NH2 ARG A 85 10.722 26.274 35.750 1.00 74.54 N ATOM 654 N GLU A 86 17.026 23.171 39.218 1.00 4.69 N ATOM 655 CA GLU A 86 18.043 22.099 39.473 1.00 8.59 C ATOM 656 C GLU A 86 17.513 20.759 39.014 1.00 11.22 C ATOM 657 O GLU A 86 16.326 20.490 39.218 1.00 16.00 O ATOM 658 CB GLU A 86 18.292 22.061 40.952 1.00 14.20 C ATOM 659 CG GLU A 86 19.445 21.295 41.462 1.00 26.42 C ATOM 660 CD GLU A 86 19.649 21.295 42.991 1.00 15.31 C ATOM 661 OE1 GLU A 86 18.611 21.601 43.603 1.00 22.69 O ATOM 662 OE2 GLU A 86 20.772 20.988 43.297 1.00 7.70 O ATOM 663 N THR A 87 18.428 19.993 38.504 1.00 8.80 N ATOM 664 CA THR A 87 18.264 18.652 37.943 1.00 19.69 C ATOM 665 C THR A 87 18.410 17.541 38.963 1.00 49.29 C ATOM 666 O THR A 87 19.043 17.848 39.983 1.00 11.46 O ATOM 667 CB THR A 87 19.335 18.461 36.821 1.00 13.04 C ATOM 668 OG1 THR A 87 18.718 19.188 35.750 1.00 38.55 O ATOM 669 CG2 THR A 87 19.671 17.082 36.413 1.00 29.12 C ATOM 670 N GLY A 88 17.850 16.392 38.606 1.00 26.67 N ATOM 671 CA GLY A 88 17.921 15.205 39.473 1.00 0.50 C ATOM 672 C GLY A 88 19.379 14.784 39.677 1.00 11.56 C ATOM 673 O GLY A 88 19.586 13.979 40.595 1.00 20.20 O ATOM 674 N SER A 89 20.250 15.205 38.810 1.00 3.11 N ATOM 675 CA SER A 89 21.679 14.822 38.912 1.00 15.51 C ATOM 676 C SER A 89 22.388 15.856 39.779 1.00 23.86 C ATOM 677 O SER A 89 23.587 15.741 40.034 1.00 12.13 O ATOM 678 CB SER A 89 22.340 14.784 37.535 1.00 9.62 C ATOM 679 OG SER A 89 21.813 13.711 36.770 1.00 44.94 O ATOM 680 N SER A 90 21.595 16.852 40.187 1.00 5.85 N ATOM 681 CA SER A 90 22.305 17.963 40.952 1.00 1.86 C ATOM 682 C SER A 90 22.845 17.350 42.277 1.00 6.57 C ATOM 683 O SER A 90 22.050 16.929 42.991 1.00 21.59 O ATOM 684 CB SER A 90 21.453 19.112 41.156 1.00 5.07 C ATOM 685 OG SER A 90 22.255 20.261 41.716 1.00 17.59 O ATOM 686 N LYS A 91 24.197 17.580 42.430 1.00 17.83 N ATOM 687 CA LYS A 91 24.812 17.158 43.705 1.00 32.19 C ATOM 688 C LYS A 91 25.767 18.192 44.266 1.00 4.28 C ATOM 689 O LYS A 91 26.895 18.346 43.654 1.00 14.39 O ATOM 690 CB LYS A 91 25.527 15.818 43.654 1.00 34.43 C ATOM 691 CG LYS A 91 26.539 15.703 44.827 1.00 24.73 C ATOM 692 CD LYS A 91 27.130 14.362 45.082 1.00 31.72 C ATOM 693 CE LYS A 91 26.243 13.596 46.102 1.00 59.27 C ATOM 694 NZ LYS A 91 25.781 14.592 47.122 1.00 50.25 N ATOM 695 N TYR A 92 25.518 18.920 45.286 1.00 0.50 N ATOM 696 CA TYR A 92 26.473 19.954 45.745 1.00 1.50 C ATOM 697 C TYR A 92 27.901 19.341 45.847 1.00 18.89 C ATOM 698 O TYR A 92 28.019 18.269 46.459 1.00 21.05 O ATOM 699 CB TYR A 92 26.100 20.490 47.071 1.00 5.00 C ATOM 700 CG TYR A 92 27.010 21.678 47.479 1.00 10.58 C ATOM 701 CD1 TYR A 92 26.769 22.980 47.071 1.00 0.50 C ATOM 702 CD2 TYR A 92 27.992 21.448 48.448 1.00 27.30 C ATOM 703 CE1 TYR A 92 27.709 23.976 47.479 1.00 5.87 C ATOM 704 CE2 TYR A 92 28.856 22.444 48.907 1.00 31.10 C ATOM 705 CZ TYR A 92 28.707 23.708 48.397 1.00 17.46 C ATOM 706 OH TYR A 92 29.510 24.703 48.856 1.00 18.04 O ATOM 707 N PRO A 93 28.907 20.031 45.337 1.00 12.01 N ATOM 708 CA PRO A 93 28.971 21.295 44.725 1.00 7.91 C ATOM 709 C PRO A 93 28.859 21.371 43.195 1.00 4.26 C ATOM 710 O PRO A 93 28.876 22.482 42.736 1.00 13.49 O ATOM 711 CB PRO A 93 30.291 21.869 45.286 1.00 10.31 C ATOM 712 CG PRO A 93 31.218 20.644 45.235 1.00 14.84 C ATOM 713 CD PRO A 93 30.304 19.456 45.541 1.00 17.71 C ATOM 714 N ASN A 94 28.649 20.184 42.685 1.00 11.79 N ATOM 715 CA ASN A 94 28.353 20.031 41.258 1.00 30.60 C ATOM 716 C ASN A 94 26.865 20.222 41.054 1.00 28.20 C ATOM 717 O ASN A 94 26.136 19.227 40.850 1.00 23.64 O ATOM 718 CB ASN A 94 28.842 18.690 40.748 1.00 26.06 C ATOM 719 CG ASN A 94 30.345 18.575 41.105 1.00 47.95 C ATOM 720 OD1 ASN A 94 31.093 19.418 40.646 1.00 29.86 O ATOM 721 ND2 ASN A 94 30.675 17.618 41.920 1.00 34.42 N ATOM 722 N CYS A 95 26.408 21.448 41.156 1.00 9.69 N ATOM 723 CA CYS A 95 25.011 21.831 40.952 1.00 20.62 C ATOM 724 C CYS A 95 24.685 21.716 39.422 1.00 9.79 C ATOM 725 O CYS A 95 25.541 22.099 38.606 1.00 13.80 O ATOM 726 CB CYS A 95 24.795 23.248 41.462 1.00 6.56 C ATOM 727 SG CYS A 95 25.256 23.363 43.246 1.00 11.16 S ATOM 728 N ALA A 96 23.562 21.142 39.116 1.00 20.93 N ATOM 729 CA ALA A 96 23.190 20.950 37.739 1.00 10.89 C ATOM 730 C ALA A 96 21.778 21.525 37.484 1.00 9.01 C ATOM 731 O ALA A 96 20.952 21.218 38.300 1.00 11.62 O ATOM 732 CB ALA A 96 23.375 19.456 37.331 1.00 7.51 C ATOM 733 N TYR A 97 21.678 22.329 36.413 1.00 4.64 N ATOM 734 CA TYR A 97 20.495 23.018 36.005 1.00 0.50 C ATOM 735 C TYR A 97 20.062 22.635 34.526 1.00 2.56 C ATOM 736 O TYR A 97 20.827 22.329 33.710 1.00 10.98 O ATOM 737 CB TYR A 97 20.372 24.550 36.107 1.00 8.25 C ATOM 738 CG TYR A 97 20.896 24.857 37.586 1.00 5.19 C ATOM 739 CD1 TYR A 97 22.201 24.895 37.892 1.00 18.82 C ATOM 740 CD2 TYR A 97 19.857 25.048 38.504 1.00 2.74 C ATOM 741 CE1 TYR A 97 22.543 25.201 39.269 1.00 1.98 C ATOM 742 CE2 TYR A 97 20.244 25.355 39.830 1.00 5.03 C ATOM 743 CZ TYR A 97 21.550 25.393 40.136 1.00 8.66 C ATOM 744 OH TYR A 97 21.952 25.699 41.513 1.00 10.92 O ATOM 745 N LYS A 98 18.740 22.712 34.577 1.00 5.51 N ATOM 746 CA LYS A 98 17.987 22.520 33.251 1.00 5.64 C ATOM 747 C LYS A 98 17.823 23.899 32.792 1.00 13.49 C ATOM 748 O LYS A 98 17.362 24.742 33.608 1.00 9.66 O ATOM 749 CB LYS A 98 16.663 21.831 33.608 1.00 12.82 C ATOM 750 CG LYS A 98 15.651 21.946 32.435 1.00 31.96 C ATOM 751 CD LYS A 98 16.312 21.410 31.160 1.00 30.93 C ATOM 752 CE LYS A 98 16.645 19.916 31.364 1.00 51.90 C ATOM 753 NZ LYS A 98 17.185 19.341 30.089 1.00 71.38 N ATOM 754 N THR A 99 18.164 24.320 31.568 1.00 11.80 N ATOM 755 CA THR A 99 18.015 25.623 31.058 1.00 6.72 C ATOM 756 C THR A 99 16.774 25.738 30.140 1.00 14.56 C ATOM 757 O THR A 99 16.673 24.972 29.171 1.00 9.25 O ATOM 758 CB THR A 99 19.266 25.967 30.242 1.00 3.21 C ATOM 759 OG1 THR A 99 20.386 26.082 31.160 1.00 10.96 O ATOM 760 CG2 THR A 99 19.210 27.308 29.426 1.00 4.51 C ATOM 761 N THR A 100 15.966 26.695 30.497 1.00 7.90 N ATOM 762 CA THR A 100 14.709 27.001 29.732 1.00 17.49 C ATOM 763 C THR A 100 14.529 28.457 29.324 1.00 15.47 C ATOM 764 O THR A 100 14.357 29.338 30.191 1.00 11.08 O ATOM 765 CB THR A 100 13.533 26.542 30.701 1.00 11.26 C ATOM 766 OG1 THR A 100 13.744 25.201 31.007 1.00 26.19 O ATOM 767 CG2 THR A 100 12.185 26.733 29.936 1.00 42.67 C ATOM 768 N GLN A 101 14.552 28.763 28.049 1.00 18.59 N ATOM 769 CA GLN A 101 14.433 30.180 27.539 1.00 2.96 C ATOM 770 C GLN A 101 12.960 30.487 27.284 1.00 40.84 C ATOM 771 O GLN A 101 12.264 29.568 26.774 1.00 20.12 O ATOM 772 CB GLN A 101 15.307 30.180 26.264 1.00 5.46 C ATOM 773 CG GLN A 101 15.463 31.483 25.550 1.00 22.88 C ATOM 774 CD GLN A 101 15.838 32.632 26.417 1.00 27.01 C ATOM 775 OE1 GLN A 101 16.699 32.517 27.284 1.00 11.63 O ATOM 776 NE2 GLN A 101 15.171 33.781 26.111 1.00 14.53 N ATOM 777 N ALA A 102 12.457 31.674 27.539 1.00 7.41 N ATOM 778 CA ALA A 102 11.014 32.019 27.386 1.00 9.27 C ATOM 779 C ALA A 102 10.923 33.513 27.284 1.00 9.64 C ATOM 780 O ALA A 102 11.940 34.202 27.539 1.00 12.36 O ATOM 781 CB ALA A 102 10.262 31.444 28.559 1.00 16.38 C ATOM 782 N ASN A 103 9.847 34.049 26.825 1.00 20.44 N ATOM 783 CA ASN A 103 9.558 35.504 26.774 1.00 24.28 C ATOM 784 C ASN A 103 8.367 35.619 27.692 1.00 29.76 C ATOM 785 O ASN A 103 7.305 35.083 27.386 1.00 17.84 O ATOM 786 CB ASN A 103 9.248 35.964 25.295 1.00 20.64 C ATOM 787 CG ASN A 103 10.453 35.849 24.428 1.00 40.34 C ATOM 788 OD1 ASN A 103 10.595 34.891 23.663 1.00 41.92 O ATOM 789 ND2 ASN A 103 11.335 36.845 24.428 1.00 41.69 N ATOM 790 N LYS A 104 8.497 36.232 28.865 1.00 10.31 N ATOM 791 CA LYS A 104 7.322 36.308 29.732 1.00 4.00 C ATOM 792 C LYS A 104 7.257 37.611 30.446 1.00 1.11 C ATOM 793 O LYS A 104 8.216 38.415 30.293 1.00 13.56 O ATOM 794 CB LYS A 104 7.513 35.198 30.905 1.00 12.13 C ATOM 795 CG LYS A 104 6.909 33.896 30.191 1.00 29.17 C ATOM 796 CD LYS A 104 6.173 33.015 31.211 1.00 13.39 C ATOM 797 CE LYS A 104 7.204 31.980 31.721 1.00 43.92 C ATOM 798 NZ LYS A 104 6.711 31.214 32.843 1.00 36.82 N ATOM 799 N HIS A 105 6.204 37.879 31.109 1.00 9.02 N ATOM 800 CA HIS A 105 6.032 39.066 31.976 1.00 12.96 C ATOM 801 C HIS A 105 6.754 38.606 33.302 1.00 20.34 C ATOM 802 O HIS A 105 6.585 37.457 33.659 1.00 15.89 O ATOM 803 CB HIS A 105 4.602 39.411 32.282 1.00 23.07 C ATOM 804 CG HIS A 105 3.849 39.909 31.058 1.00 10.62 C ATOM 805 ND1 HIS A 105 3.200 39.028 30.191 1.00 40.60 N ATOM 806 CD2 HIS A 105 3.684 41.173 30.599 1.00 33.49 C ATOM 807 CE1 HIS A 105 2.628 39.794 29.273 1.00 18.69 C ATOM 808 NE2 HIS A 105 2.946 41.058 29.426 1.00 31.77 N ATOM 809 N ILE A 106 7.481 39.526 33.812 1.00 10.12 N ATOM 810 CA ILE A 106 8.264 39.411 35.036 1.00 14.58 C ATOM 811 C ILE A 106 7.513 40.292 36.107 1.00 5.58 C ATOM 812 O ILE A 106 7.013 41.326 35.852 1.00 11.36 O ATOM 813 CB ILE A 106 9.678 39.794 34.985 1.00 4.75 C ATOM 814 CG1 ILE A 106 9.938 41.249 34.730 1.00 14.49 C ATOM 815 CG2 ILE A 106 10.414 39.066 33.863 1.00 4.30 C ATOM 816 CD1 ILE A 106 11.259 41.977 34.985 1.00 14.01 C ATOM 817 N ILE A 107 7.506 39.679 37.331 1.00 11.71 N ATOM 818 CA ILE A 107 6.907 40.292 38.504 1.00 13.91 C ATOM 819 C ILE A 107 8.056 40.445 39.524 1.00 1.92 C ATOM 820 O ILE A 107 8.844 39.564 39.932 1.00 5.48 O ATOM 821 CB ILE A 107 5.763 39.526 39.065 1.00 12.42 C ATOM 822 CG1 ILE A 107 4.660 39.296 37.994 1.00 3.71 C ATOM 823 CG2 ILE A 107 5.133 40.253 40.238 1.00 4.55 C ATOM 824 CD1 ILE A 107 3.363 38.913 38.759 1.00 6.43 C ATOM 825 N VAL A 108 8.266 41.747 39.932 1.00 6.86 N ATOM 826 CA VAL A 108 9.370 42.053 40.901 1.00 12.00 C ATOM 827 C VAL A 108 8.831 42.781 42.073 1.00 12.58 C ATOM 828 O VAL A 108 7.738 43.317 41.971 1.00 6.05 O ATOM 829 CB VAL A 108 10.514 42.858 40.238 1.00 9.43 C ATOM 830 CG1 VAL A 108 11.265 42.130 39.167 1.00 9.93 C ATOM 831 CG2 VAL A 108 10.092 44.198 39.626 1.00 6.57 C ATOM 832 N ALA A 109 9.570 42.781 43.144 1.00 8.57 N ATOM 833 CA ALA A 109 9.274 43.509 44.419 1.00 9.51 C ATOM 834 C ALA A 109 10.201 44.773 44.368 1.00 3.51 C ATOM 835 O ALA A 109 11.313 44.543 44.011 1.00 6.52 O ATOM 836 CB ALA A 109 9.526 42.666 45.592 1.00 3.12 C ATOM 837 N CYS A 110 9.622 45.922 44.674 1.00 13.54 N ATOM 838 CA CYS A 110 10.474 47.147 44.572 1.00 8.63 C ATOM 839 C CYS A 110 10.572 47.798 45.949 1.00 9.97 C ATOM 840 O CYS A 110 9.535 47.760 46.663 1.00 15.05 O ATOM 841 CB CYS A 110 10.009 48.143 43.501 1.00 15.62 C ATOM 842 SG CYS A 110 9.805 47.300 41.869 1.00 8.65 S ATOM 843 N GLU A 111 11.772 48.335 46.204 1.00 9.88 N ATOM 844 CA GLU A 111 11.962 49.062 47.479 1.00 14.72 C ATOM 845 C GLU A 111 12.997 50.135 47.275 1.00 12.13 C ATOM 846 O GLU A 111 13.838 50.020 46.306 1.00 9.34 O ATOM 847 CB GLU A 111 12.640 48.066 48.448 1.00 4.33 C ATOM 848 CG GLU A 111 11.710 46.956 49.009 1.00 14.33 C ATOM 849 CD GLU A 111 12.434 46.113 50.029 1.00 65.86 C ATOM 850 OE1 GLU A 111 13.587 46.649 50.335 1.00 57.96 O ATOM 851 OE2 GLU A 111 12.051 45.041 50.488 1.00 16.51 O ATOM 852 N GLY A 112 13.022 51.092 48.193 1.00 22.24 N ATOM 853 CA GLY A 112 13.949 52.203 48.244 1.00 25.72 C ATOM 854 C GLY A 112 13.710 53.467 47.530 1.00 10.10 C ATOM 855 O GLY A 112 12.587 53.811 47.122 1.00 11.02 O ATOM 856 N ASN A 113 14.729 54.271 47.377 1.00 5.63 N ATOM 857 CA ASN A 113 14.794 55.535 46.663 1.00 23.09 C ATOM 858 C ASN A 113 16.256 55.688 46.153 1.00 18.96 C ATOM 859 O ASN A 113 17.117 55.918 47.020 1.00 40.75 O ATOM 860 CB ASN A 113 14.378 56.684 47.530 1.00 32.16 C ATOM 861 CG ASN A 113 14.595 58.024 46.816 1.00 24.70 C ATOM 862 OD1 ASN A 113 15.444 58.829 47.224 1.00 84.91 O ATOM 863 ND2 ASN A 113 13.826 58.254 45.745 1.00 48.65 N ATOM 864 N PRO A 114 16.461 55.497 44.878 1.00 26.29 N ATOM 865 CA PRO A 114 15.570 55.190 43.807 1.00 18.54 C ATOM 866 C PRO A 114 14.854 53.888 44.164 1.00 27.74 C ATOM 867 O PRO A 114 15.397 53.007 44.776 1.00 12.38 O ATOM 868 CB PRO A 114 16.353 55.267 42.532 1.00 19.51 C ATOM 869 CG PRO A 114 17.810 55.612 42.838 1.00 37.65 C ATOM 870 CD PRO A 114 17.893 55.612 44.368 1.00 5.96 C ATOM 871 N TYR A 115 13.625 53.773 43.705 1.00 7.93 N ATOM 872 CA TYR A 115 12.651 52.701 43.909 1.00 12.20 C ATOM 873 C TYR A 115 13.023 51.705 42.787 1.00 25.19 C ATOM 874 O TYR A 115 12.664 52.088 41.665 1.00 13.62 O ATOM 875 CB TYR A 115 11.284 53.237 43.807 1.00 22.68 C ATOM 876 CG TYR A 115 10.141 52.318 44.266 1.00 23.12 C ATOM 877 CD1 TYR A 115 10.149 51.782 45.541 1.00 4.43 C ATOM 878 CD2 TYR A 115 9.097 52.011 43.399 1.00 18.81 C ATOM 879 CE1 TYR A 115 9.113 50.977 45.949 1.00 13.91 C ATOM 880 CE2 TYR A 115 8.092 51.245 43.807 1.00 7.19 C ATOM 881 CZ TYR A 115 8.023 50.709 45.133 1.00 9.04 C ATOM 882 OH TYR A 115 6.988 49.943 45.439 1.00 21.36 O ATOM 883 N VAL A 116 13.659 50.633 43.195 1.00 18.05 N ATOM 884 CA VAL A 116 14.090 49.713 42.175 1.00 7.93 C ATOM 885 C VAL A 116 13.738 48.296 42.532 1.00 3.20 C ATOM 886 O VAL A 116 13.412 47.990 43.705 1.00 3.21 O ATOM 887 CB VAL A 116 15.521 49.981 41.869 1.00 10.89 C ATOM 888 CG1 VAL A 116 15.813 51.322 41.207 1.00 13.90 C ATOM 889 CG2 VAL A 116 16.380 49.828 43.144 1.00 29.49 C ATOM 890 N PRO A 117 13.926 47.377 41.614 1.00 28.08 N ATOM 891 CA PRO A 117 13.743 45.960 41.818 1.00 7.33 C ATOM 892 C PRO A 117 14.709 45.309 42.838 1.00 8.70 C ATOM 893 O PRO A 117 15.972 45.424 42.685 1.00 7.76 O ATOM 894 CB PRO A 117 13.979 45.271 40.442 1.00 0.66 C ATOM 895 CG PRO A 117 13.984 46.458 39.422 1.00 1.87 C ATOM 896 CD PRO A 117 14.375 47.722 40.136 1.00 0.50 C ATOM 897 N VAL A 118 14.217 44.696 43.858 1.00 12.99 N ATOM 898 CA VAL A 118 14.986 44.045 44.929 1.00 11.88 C ATOM 899 C VAL A 118 14.758 42.513 44.980 1.00 22.05 C ATOM 900 O VAL A 118 15.575 41.785 45.592 1.00 11.72 O ATOM 901 CB VAL A 118 14.811 44.696 46.306 1.00 8.36 C ATOM 902 CG1 VAL A 118 15.692 45.960 46.408 1.00 7.47 C ATOM 903 CG2 VAL A 118 13.379 44.926 46.816 1.00 10.05 C ATOM 904 N HIS A 119 13.652 42.053 44.419 1.00 11.37 N ATOM 905 CA HIS A 119 13.256 40.636 44.419 1.00 0.50 C ATOM 906 C HIS A 119 12.565 40.215 43.093 1.00 5.24 C ATOM 907 O HIS A 119 11.716 41.019 42.685 1.00 12.50 O ATOM 908 CB HIS A 119 12.353 40.406 45.592 1.00 0.50 C ATOM 909 CG HIS A 119 11.562 39.181 45.694 1.00 29.66 C ATOM 910 ND1 HIS A 119 12.139 37.955 45.796 1.00 15.12 N ATOM 911 CD2 HIS A 119 10.209 39.028 45.643 1.00 26.23 C ATOM 912 CE1 HIS A 119 11.151 37.074 45.847 1.00 25.86 C ATOM 913 NE2 HIS A 119 9.950 37.687 45.796 1.00 30.44 N ATOM 914 N PHE A 120 12.947 39.066 42.634 1.00 8.00 N ATOM 915 CA PHE A 120 12.240 38.453 41.462 1.00 8.68 C ATOM 916 C PHE A 120 11.157 37.572 42.022 1.00 11.90 C ATOM 917 O PHE A 120 11.488 36.576 42.634 1.00 10.75 O ATOM 918 CB PHE A 120 13.323 37.611 40.697 1.00 4.03 C ATOM 919 CG PHE A 120 12.616 37.113 39.422 1.00 20.44 C ATOM 920 CD1 PHE A 120 11.796 36.040 39.422 1.00 31.10 C ATOM 921 CD2 PHE A 120 12.684 37.994 38.300 1.00 21.26 C ATOM 922 CE1 PHE A 120 11.149 35.657 38.249 1.00 5.41 C ATOM 923 CE2 PHE A 120 12.098 37.611 37.127 1.00 9.18 C ATOM 924 CZ PHE A 120 11.262 36.500 37.076 1.00 9.99 C ATOM 925 N ASP A 121 9.851 37.802 41.818 1.00 4.98 N ATOM 926 CA ASP A 121 8.769 37.113 42.379 1.00 7.80 C ATOM 927 C ASP A 121 8.226 35.925 41.563 1.00 17.81 C ATOM 928 O ASP A 121 8.102 34.815 42.073 1.00 13.56 O ATOM 929 CB ASP A 121 7.612 38.108 42.685 1.00 3.21 C ATOM 930 CG ASP A 121 6.633 37.534 43.705 1.00 15.14 C ATOM 931 OD1 ASP A 121 7.037 36.998 44.776 1.00 17.77 O ATOM 932 OD2 ASP A 121 5.449 37.572 43.399 1.00 9.33 O ATOM 933 N ALA A 122 8.021 36.193 40.340 1.00 10.17 N ATOM 934 CA ALA A 122 7.464 35.159 39.371 1.00 6.14 C ATOM 935 C ALA A 122 7.533 35.619 37.943 1.00 19.10 C ATOM 936 O ALA A 122 7.777 36.768 37.739 1.00 7.98 O ATOM 937 CB ALA A 122 6.002 35.044 39.779 1.00 12.61 C ATOM 938 N SER A 123 7.234 34.700 37.025 1.00 8.64 N ATOM 939 CA SER A 123 7.228 35.159 35.546 1.00 5.96 C ATOM 940 C SER A 123 5.816 34.623 35.189 1.00 22.71 C ATOM 941 O SER A 123 5.449 33.512 35.597 1.00 15.47 O ATOM 942 CB SER A 123 8.342 34.853 34.679 1.00 8.72 C ATOM 943 OG SER A 123 8.465 33.436 34.475 1.00 23.23 O ATOM 944 N VAL A 124 5.121 35.504 34.475 1.00 16.60 N ATOM 945 CA VAL A 124 3.755 35.198 34.067 1.00 16.89 C ATOM 946 C VAL A 124 3.536 35.389 32.588 1.00 8.49 C ATOM 947 O VAL A 124 2.961 34.317 32.078 1.00 25.68 O ATOM 948 CB VAL A 124 2.777 36.002 34.985 1.00 34.77 C ATOM 949 CG1 VAL A 124 2.557 35.351 36.311 1.00 7.47 C ATOM 950 CG2 VAL A 124 3.308 37.381 35.240 1.00 16.33 C ATOM 951 OXT VAL A 124 4.330 36.079 31.874 1.00 13.34 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 284 1 0 4 7 0 0 6 951 1 8 10 END