HEADER LYSOZYME 13-OCT-96 1JUG TITLE LYSOZYME FROM ECHIDNA MILK (TACHYGLOSSUS ACULEATUS) COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME; COMPND 3 CHAIN: A; COMPND 4 EC: 3.2.1.17 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: TACHYGLOSSUS ACULEATUS; SOURCE 3 ORGANISM_COMMON: AUSTRALIAN ECHIDNA; SOURCE 4 ORGANISM_TAXID: 9261; SOURCE 5 VARIANT: VARIANT I; SOURCE 6 SECRETION: MILK KEYWDS LYSOZYME, CALCIUM-BINDING EXPDTA X-RAY DIFFRACTION AUTHOR J.M.GUSS REVDAT 2 24-FEB-09 1JUG 1 VERSN REVDAT 1 21-APR-97 1JUG 0 JRNL AUTH J.M.GUSS,M.MESSER,M.COSTELLO,K.HARDY,V.KUMAR JRNL TITL STRUCTURE OF THE CALCIUM-BINDING ECHIDNA MILK JRNL TITL 2 LYSOZYME AT 1.9 A RESOLUTION. JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 53 355 1997 JRNL REFN ISSN 0907-4449 JRNL PMID 15299900 JRNL DOI 10.1107/S0907444996015831 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.90 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PROLSQ, X-PLOR REMARK 3 AUTHORS : KONNERT,HENDRICKSON REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 7.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 90.0 REMARK 3 NUMBER OF REFLECTIONS : 8038 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT (EXCEPT LAST REMARK 3 ROUND OF 4 CYCLES) REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.170 REMARK 3 R VALUE (WORKING SET) : 0.168 REMARK 3 FREE R VALUE : 0.229 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.600 REMARK 3 FREE R VALUE TEST SET COUNT : 852 REMARK 3 REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : 0.1690 REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : 0.1680 REMARK 3 FREE R VALUE (NO CUTOFF) : 0.229 REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : 10.600 REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : 852 REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 8038 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1002 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 1 REMARK 3 SOLVENT ATOMS : 65 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) : 0.20 REMARK 3 ESD FROM SIGMAA (A) : 0.18 REMARK 3 LOW RESOLUTION CUTOFF (A) : 7.00 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA REMARK 3 BOND LENGTH (A) : 0.014 ; 0.020 REMARK 3 ANGLE DISTANCE (A) : 0.042 ; 0.040 REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.041 ; 0.050 REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.137 ; 0.150 REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : 0.190 ; 0.300 REMARK 3 MULTIPLE TORSION (A) : 0.250 ; 0.300 REMARK 3 H-BOND (X...Y) (A) : 0.200 ; 0.300 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) : 3.600 ; 5.000 REMARK 3 STAGGERED (DEGREES) : 22.000; 20.000 REMARK 3 TRANSVERSE (DEGREES) : 23.000; 20.000 REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.400 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.100 ; 2.500 REMARK 3 SIDE-CHAIN BOND (A**2) : 3.100 ; 2.500 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 4.700 ; 3.500 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1JUG 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 : SEP-94 REMARK 200 TEMPERATURE (KELVIN) : 293 REMARK 200 PH : 6.3 REMARK 200 NUMBER OF CRYSTALS USED : 2 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RUH2R REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NI FILTER REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 8418 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900 REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 90.0 REMARK 200 DATA REDUNDANCY : 4.300 REMARK 200 R MERGE (I) : 0.07400 REMARK 200 R SYM (I) : 0.07700 REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.97 REMARK 200 COMPLETENESS FOR SHELL (%) : 82.0 REMARK 200 DATA REDUNDANCY IN SHELL : 2.00 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.14200 REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: PDB ENTRY 4LYZ REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 42.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.05 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 6.3 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 20.99000 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 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 41 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES REMARK 500 SER A 72 N - CA - CB ANGL. DEV. = -9.1 DEGREES REMARK 500 ASP A 85 CB - CG - OD1 ANGL. DEV. = 7.0 DEGREES REMARK 500 ASP A 86 CB - CG - OD2 ANGL. DEV. = 9.2 DEGREES REMARK 500 ASP A 87 CB - CG - OD1 ANGL. DEV. = 10.4 DEGREES REMARK 500 ASP A 90 CB - CG - OD1 ANGL. DEV. = 9.4 DEGREES REMARK 500 ASP A 91 CB - CG - OD1 ANGL. DEV. = -9.3 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 LYS A 68 14.53 -142.11 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 HIS A 45 14.01 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 126 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 LYS A 82 O REMARK 620 2 ASP A 85 OD1 83.1 REMARK 620 3 ASP A 87 O 165.2 83.9 REMARK 620 4 ASP A 90 OD1 93.8 140.1 91.8 REMARK 620 5 HOH A 130 O 84.3 74.4 85.6 65.7 REMARK 620 6 ASP A 91 OD1 100.7 142.5 93.8 77.2 142.9 REMARK 620 7 HOH A 128 O 92.5 72.6 90.2 147.3 146.9 70.1 REMARK 620 N 1 2 3 4 5 6 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: CAB REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: CA BINDING SITE. REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 126 DBREF 1JUG A 1 125 UNP P37156 LYSC1_TACAC 1 125 SEQRES 1 A 125 LYS ILE LEU LYS LYS GLN GLU LEU CYS LYS ASN LEU VAL SEQRES 2 A 125 ALA GLN GLY MET ASN GLY TYR GLN HIS ILE THR LEU PRO SEQRES 3 A 125 ASN TRP VAL CYS THR ALA PHE HIS GLU SER SER TYR ASN SEQRES 4 A 125 THR ARG ALA THR ASN HIS ASN THR ASP GLY SER THR ASP SEQRES 5 A 125 TYR GLY ILE LEU GLN ILE ASN SER ARG TYR TRP CYS HIS SEQRES 6 A 125 ASP GLY LYS THR PRO GLY SER LYS ASN ALA CYS ASN ILE SEQRES 7 A 125 SER CYS SER LYS LEU LEU ASP ASP ASP ILE THR ASP ASP SEQRES 8 A 125 LEU LYS CYS ALA LYS LYS ILE ALA GLY GLU ALA LYS GLY SEQRES 9 A 125 LEU THR PRO TRP VAL ALA TRP LYS SER LYS CYS ARG GLY SEQRES 10 A 125 HIS ASP LEU SER LYS PHE LYS CYS HET CA A 126 1 HETNAM CA CALCIUM ION FORMUL 2 CA CA 2+ FORMUL 3 HOH *65(H2 O) HELIX 1 1 LYS A 5 ALA A 14 1 10 HELIX 2 2 TYR A 20 HIS A 22 5 3 HELIX 3 3 LEU A 25 SER A 36 1 12 HELIX 4 4 CYS A 80 LEU A 83 5 4 HELIX 5 5 THR A 89 ALA A 102 1 14 HELIX 6 6 VAL A 109 LYS A 114 1 6 HELIX 7 7 SER A 121 PHE A 123 5 3 SHEET 1 A 2 THR A 43 HIS A 45 0 SHEET 2 A 2 THR A 51 TYR A 53 -1 N ASP A 52 O ASN A 44 SSBOND 1 CYS A 9 CYS A 125 1555 1555 2.01 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.08 SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.04 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.01 LINK CA CA A 126 O LYS A 82 1555 1555 2.32 LINK CA CA A 126 OD1 ASP A 85 1555 1555 2.29 LINK CA CA A 126 O ASP A 87 1555 1555 2.31 LINK CA CA A 126 OD1 ASP A 90 1555 1555 2.37 LINK CA CA A 126 O HOH A 130 1555 1555 2.56 LINK CA CA A 126 OD1 ASP A 91 1555 1555 2.49 LINK CA CA A 126 O HOH A 128 1555 1555 2.32 SITE 1 CAB 7 LYS A 82 ASP A 85 ASP A 87 ASP A 90 SITE 2 CAB 7 ASP A 91 HOH A 128 HOH A 130 SITE 1 AC1 7 LYS A 82 ASP A 85 ASP A 87 ASP A 90 SITE 2 AC1 7 ASP A 91 HOH A 128 HOH A 130 CRYST1 37.120 41.980 38.090 90.00 91.04 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 0.026940 0.000000 0.000489 0.00000 SCALE2 0.000000 0.023821 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026258 0.00000 ATOM 1 N LYS A 1 18.260 9.755 49.476 1.00 26.39 N ATOM 2 CA LYS A 1 19.338 9.377 48.474 1.00 28.59 C ATOM 3 C LYS A 1 18.864 9.582 47.039 1.00 27.20 C ATOM 4 O LYS A 1 17.648 9.437 46.816 1.00 26.99 O ATOM 5 CB LYS A 1 19.758 7.940 48.772 1.00 27.50 C ATOM 6 CG LYS A 1 20.720 7.399 47.769 1.00 31.98 C ATOM 7 CD LYS A 1 20.737 5.882 47.970 1.00 36.39 C ATOM 8 CE LYS A 1 21.652 5.248 46.919 1.00 37.79 C ATOM 9 NZ LYS A 1 22.064 3.892 47.354 1.00 38.74 N ATOM 10 N ILE A 2 19.713 9.967 46.070 1.00 25.29 N ATOM 11 CA ILE A 2 19.252 10.123 44.687 1.00 23.26 C ATOM 12 C ILE A 2 19.870 8.944 43.970 1.00 24.16 C ATOM 13 O ILE A 2 21.073 9.061 43.734 1.00 25.86 O ATOM 14 CB ILE A 2 19.654 11.402 43.942 1.00 22.92 C ATOM 15 CG1 ILE A 2 19.022 12.646 44.580 1.00 23.70 C ATOM 16 CG2 ILE A 2 19.333 11.324 42.463 1.00 19.57 C ATOM 17 CD1 ILE A 2 17.922 13.319 43.809 1.00 26.72 C ATOM 18 N LEU A 3 19.215 7.836 43.713 1.00 24.77 N ATOM 19 CA LEU A 3 19.832 6.689 43.079 1.00 24.41 C ATOM 20 C LEU A 3 20.308 6.971 41.654 1.00 24.89 C ATOM 21 O LEU A 3 19.775 7.784 40.935 1.00 24.35 O ATOM 22 CB LEU A 3 18.864 5.526 42.833 1.00 25.94 C ATOM 23 CG LEU A 3 18.223 4.734 43.952 1.00 26.83 C ATOM 24 CD1 LEU A 3 18.748 3.318 43.941 1.00 27.38 C ATOM 25 CD2 LEU A 3 18.419 5.447 45.304 1.00 29.16 C ATOM 26 N LYS A 4 21.298 6.200 41.280 1.00 25.60 N ATOM 27 CA LYS A 4 21.779 6.210 39.899 1.00 27.38 C ATOM 28 C LYS A 4 20.824 5.310 39.144 1.00 26.40 C ATOM 29 O LYS A 4 20.346 4.338 39.765 1.00 25.92 O ATOM 30 CB LYS A 4 23.212 5.616 39.995 1.00 33.74 C ATOM 31 CG LYS A 4 24.145 6.693 40.595 1.00 39.26 C ATOM 32 CD LYS A 4 24.015 7.952 39.725 1.00 42.99 C ATOM 33 CE LYS A 4 25.124 8.975 39.916 1.00 45.40 C ATOM 34 NZ LYS A 4 24.637 10.303 39.407 1.00 46.00 N ATOM 35 N LYS A 5 20.548 5.514 37.869 1.00 24.69 N ATOM 36 CA LYS A 5 19.660 4.625 37.136 1.00 24.06 C ATOM 37 C LYS A 5 20.143 3.190 37.212 1.00 24.36 C ATOM 38 O LYS A 5 19.311 2.250 37.309 1.00 23.24 O ATOM 39 CB LYS A 5 19.529 5.150 35.706 1.00 24.68 C ATOM 40 CG LYS A 5 18.700 4.342 34.742 1.00 27.11 C ATOM 41 CD LYS A 5 18.627 4.867 33.318 1.00 29.38 C ATOM 42 CE LYS A 5 19.874 4.457 32.535 1.00 32.81 C ATOM 43 NZ LYS A 5 19.750 4.681 31.064 1.00 33.88 N ATOM 44 N GLN A 6 21.463 2.896 37.258 1.00 26.31 N ATOM 45 CA GLN A 6 21.777 1.446 37.275 1.00 26.84 C ATOM 46 C GLN A 6 21.574 0.824 38.635 1.00 25.05 C ATOM 47 O GLN A 6 21.299 -0.403 38.638 1.00 23.46 O ATOM 48 CB GLN A 6 23.098 1.118 36.599 1.00 34.10 C ATOM 49 CG GLN A 6 23.000 -0.200 35.806 1.00 41.80 C ATOM 50 CD GLN A 6 22.293 -0.239 34.458 1.00 44.03 C ATOM 51 OE1 GLN A 6 21.736 0.752 33.949 1.00 45.74 O ATOM 52 NE2 GLN A 6 22.287 -1.454 33.870 1.00 43.38 N ATOM 53 N GLU A 7 21.577 1.605 39.720 1.00 23.87 N ATOM 54 CA GLU A 7 21.258 0.955 41.006 1.00 24.45 C ATOM 55 C GLU A 7 19.743 0.615 41.001 1.00 21.80 C ATOM 56 O GLU A 7 19.353 -0.465 41.454 1.00 18.54 O ATOM 57 CB GLU A 7 21.514 1.742 42.273 1.00 28.03 C ATOM 58 CG GLU A 7 22.713 2.666 42.198 1.00 36.47 C ATOM 59 CD GLU A 7 22.762 3.576 43.431 1.00 41.17 C ATOM 60 OE1 GLU A 7 22.663 2.959 44.532 1.00 43.65 O ATOM 61 OE2 GLU A 7 22.868 4.818 43.199 1.00 41.87 O ATOM 62 N LEU A 8 18.993 1.567 40.410 1.00 19.48 N ATOM 63 CA LEU A 8 17.542 1.364 40.314 1.00 19.08 C ATOM 64 C LEU A 8 17.265 0.090 39.517 1.00 19.03 C ATOM 65 O LEU A 8 16.485 -0.753 39.901 1.00 17.01 O ATOM 66 CB LEU A 8 16.823 2.564 39.706 1.00 17.25 C ATOM 67 CG LEU A 8 15.346 2.365 39.356 1.00 17.53 C ATOM 68 CD1 LEU A 8 14.597 1.786 40.564 1.00 19.90 C ATOM 69 CD2 LEU A 8 14.721 3.673 38.879 1.00 16.84 C ATOM 70 N CYS A 9 17.912 -0.050 38.354 1.00 17.59 N ATOM 71 CA CYS A 9 17.754 -1.218 37.530 1.00 16.62 C ATOM 72 C CYS A 9 18.140 -2.450 38.316 1.00 15.74 C ATOM 73 O CYS A 9 17.477 -3.469 38.152 1.00 14.04 O ATOM 74 CB CYS A 9 18.707 -1.099 36.309 1.00 17.11 C ATOM 75 SG CYS A 9 18.159 0.136 35.126 1.00 19.82 S ATOM 76 N LYS A 10 19.225 -2.427 39.112 1.00 18.17 N ATOM 77 CA LYS A 10 19.549 -3.687 39.808 1.00 20.64 C ATOM 78 C LYS A 10 18.465 -4.120 40.792 1.00 19.19 C ATOM 79 O LYS A 10 18.142 -5.310 40.909 1.00 19.32 O ATOM 80 CB LYS A 10 20.911 -3.720 40.528 1.00 24.70 C ATOM 81 CG LYS A 10 21.908 -4.336 39.564 1.00 31.08 C ATOM 82 CD LYS A 10 22.762 -5.527 39.960 1.00 36.04 C ATOM 83 CE ALYS A 10 23.240 -6.307 38.724 0.50 32.51 C ATOM 84 CE BLYS A 10 24.234 -5.133 40.085 0.50 36.46 C ATOM 85 NZ ALYS A 10 24.700 -6.523 38.742 0.50 33.87 N ATOM 86 NZ BLYS A 10 25.049 -5.997 40.956 0.50 34.43 N ATOM 87 N ASN A 11 17.954 -3.153 41.536 1.00 17.85 N ATOM 88 CA ASN A 11 16.860 -3.393 42.494 1.00 17.15 C ATOM 89 C ASN A 11 15.598 -3.950 41.881 1.00 15.11 C ATOM 90 O ASN A 11 14.921 -4.861 42.363 1.00 15.68 O ATOM 91 CB ASN A 11 16.519 -1.991 43.052 1.00 18.43 C ATOM 92 CG ASN A 11 17.480 -1.787 44.214 1.00 20.53 C ATOM 93 OD1 ASN A 11 17.254 -2.336 45.280 1.00 24.22 O ATOM 94 ND2 ASN A 11 18.586 -1.113 44.025 1.00 21.40 N ATOM 95 N LEU A 12 15.161 -3.363 40.782 1.00 15.27 N ATOM 96 CA LEU A 12 14.002 -3.816 40.006 1.00 13.95 C ATOM 97 C LEU A 12 14.113 -5.297 39.659 1.00 15.61 C ATOM 98 O LEU A 12 13.254 -6.174 39.887 1.00 14.71 O ATOM 99 CB LEU A 12 13.966 -3.057 38.690 1.00 13.02 C ATOM 100 CG LEU A 12 13.115 -1.836 38.456 1.00 18.90 C ATOM 101 CD1 LEU A 12 12.167 -1.528 39.608 1.00 17.62 C ATOM 102 CD2 LEU A 12 13.803 -0.579 37.975 1.00 17.35 C ATOM 103 N VAL A 13 15.270 -5.608 39.014 1.00 16.19 N ATOM 104 CA VAL A 13 15.551 -6.984 38.604 1.00 16.88 C ATOM 105 C VAL A 13 15.563 -7.880 39.842 1.00 17.82 C ATOM 106 O VAL A 13 14.918 -8.949 39.822 1.00 18.04 O ATOM 107 CB VAL A 13 16.879 -7.112 37.812 1.00 17.03 C ATOM 108 CG1 VAL A 13 17.353 -8.560 37.659 1.00 18.19 C ATOM 109 CG2 VAL A 13 16.741 -6.493 36.416 1.00 14.43 C ATOM 110 N ALA A 14 16.271 -7.426 40.911 1.00 18.03 N ATOM 111 CA ALA A 14 16.310 -8.297 42.085 1.00 17.78 C ATOM 112 C ALA A 14 14.940 -8.513 42.695 1.00 21.38 C ATOM 113 O ALA A 14 14.672 -9.598 43.249 1.00 20.71 O ATOM 114 CB ALA A 14 17.255 -7.661 43.050 1.00 16.03 C ATOM 115 N GLN A 15 13.991 -7.571 42.543 1.00 21.90 N ATOM 116 CA GLN A 15 12.645 -7.709 43.063 1.00 23.36 C ATOM 117 C GLN A 15 11.682 -8.326 42.071 1.00 23.30 C ATOM 118 O GLN A 15 10.464 -8.329 42.252 1.00 21.88 O ATOM 119 CB GLN A 15 12.174 -6.333 43.574 1.00 28.65 C ATOM 120 CG GLN A 15 12.882 -5.742 44.792 1.00 32.15 C ATOM 121 CD GLN A 15 13.323 -6.729 45.853 1.00 35.35 C ATOM 122 OE1 GLN A 15 12.586 -7.604 46.331 1.00 34.48 O ATOM 123 NE2 GLN A 15 14.613 -6.733 46.203 1.00 36.03 N ATOM 124 N GLY A 16 12.183 -8.919 40.981 1.00 22.74 N ATOM 125 CA GLY A 16 11.375 -9.583 39.970 1.00 21.95 C ATOM 126 C GLY A 16 10.429 -8.657 39.243 1.00 23.10 C ATOM 127 O GLY A 16 9.396 -9.080 38.739 1.00 22.90 O ATOM 128 N MET A 17 10.818 -7.375 39.078 1.00 23.80 N ATOM 129 CA MET A 17 9.985 -6.355 38.453 1.00 23.53 C ATOM 130 C MET A 17 10.015 -6.348 36.941 1.00 22.08 C ATOM 131 O MET A 17 9.034 -5.894 36.386 1.00 21.30 O ATOM 132 CB MET A 17 10.351 -4.965 38.956 1.00 25.48 C ATOM 133 CG MET A 17 9.137 -4.300 39.589 1.00 31.29 C ATOM 134 SD MET A 17 8.921 -4.640 41.340 1.00 28.03 S ATOM 135 CE MET A 17 10.365 -3.915 42.021 1.00 27.15 C ATOM 136 N ASN A 18 11.045 -6.924 36.332 1.00 21.68 N ATOM 137 CA ASN A 18 11.068 -7.076 34.877 1.00 21.87 C ATOM 138 C ASN A 18 9.963 -8.028 34.349 1.00 20.53 C ATOM 139 O ASN A 18 9.942 -9.216 34.703 1.00 19.93 O ATOM 140 CB ASN A 18 12.425 -7.633 34.379 1.00 21.10 C ATOM 141 CG AASN A 18 12.251 -7.711 32.859 0.50 21.48 C ATOM 142 CG BASN A 18 12.897 -8.837 35.171 0.50 19.67 C ATOM 143 OD1AASN A 18 12.021 -6.671 32.276 0.50 22.33 O ATOM 144 OD1BASN A 18 13.056 -8.839 36.395 0.50 18.56 O ATOM 145 ND2AASN A 18 12.170 -8.913 32.334 0.50 23.21 N ATOM 146 ND2BASN A 18 13.114 -9.942 34.456 0.50 22.29 N ATOM 147 N GLY A 19 9.025 -7.472 33.546 1.00 19.64 N ATOM 148 CA GLY A 19 7.939 -8.313 33.048 1.00 17.97 C ATOM 149 C GLY A 19 6.808 -8.602 34.011 1.00 17.89 C ATOM 150 O GLY A 19 5.948 -9.469 33.710 1.00 18.51 O ATOM 151 N TYR A 20 6.779 -7.990 35.186 1.00 16.35 N ATOM 152 CA TYR A 20 5.722 -8.118 36.186 1.00 15.47 C ATOM 153 C TYR A 20 4.476 -7.470 35.599 1.00 14.81 C ATOM 154 O TYR A 20 4.475 -6.272 35.305 1.00 15.09 O ATOM 155 CB TYR A 20 6.142 -7.378 37.479 1.00 17.38 C ATOM 156 CG TYR A 20 5.016 -7.469 38.497 1.00 18.74 C ATOM 157 CD1 TYR A 20 4.790 -8.628 39.209 1.00 20.93 C ATOM 158 CD2 TYR A 20 4.171 -6.392 38.698 1.00 20.80 C ATOM 159 CE1 TYR A 20 3.739 -8.735 40.131 1.00 23.45 C ATOM 160 CE2 TYR A 20 3.089 -6.485 39.570 1.00 21.97 C ATOM 161 CZ TYR A 20 2.909 -7.635 40.315 1.00 23.96 C ATOM 162 OH TYR A 20 1.844 -7.729 41.196 1.00 26.24 O ATOM 163 N GLN A 21 3.394 -8.165 35.330 1.00 13.61 N ATOM 164 CA GLN A 21 2.241 -7.594 34.660 1.00 13.99 C ATOM 165 C GLN A 21 2.636 -7.046 33.305 1.00 12.82 C ATOM 166 O GLN A 21 2.049 -6.117 32.745 1.00 12.15 O ATOM 167 CB GLN A 21 1.569 -6.559 35.554 1.00 19.68 C ATOM 168 CG GLN A 21 0.071 -6.517 35.618 1.00 23.53 C ATOM 169 CD GLN A 21 -0.685 -7.085 34.457 1.00 25.95 C ATOM 170 OE1 GLN A 21 -0.727 -6.767 33.263 1.00 29.15 O ATOM 171 NE2 GLN A 21 -1.392 -8.173 34.712 1.00 27.58 N ATOM 172 N HIS A 22 3.594 -7.681 32.634 1.00 13.26 N ATOM 173 CA HIS A 22 4.152 -7.330 31.322 1.00 13.19 C ATOM 174 C HIS A 22 4.655 -5.906 31.194 1.00 12.14 C ATOM 175 O HIS A 22 4.629 -5.207 30.192 1.00 11.90 O ATOM 176 CB HIS A 22 3.136 -7.662 30.209 1.00 15.12 C ATOM 177 CG HIS A 22 3.038 -9.169 30.147 1.00 17.22 C ATOM 178 ND1 HIS A 22 3.691 -9.894 29.152 1.00 18.70 N ATOM 179 CD2 HIS A 22 2.417 -10.058 30.945 1.00 17.62 C ATOM 180 CE1 HIS A 22 3.455 -11.170 29.336 1.00 21.11 C ATOM 181 NE2 HIS A 22 2.707 -11.290 30.428 1.00 19.55 N ATOM 182 N ILE A 23 5.152 -5.355 32.299 1.00 10.48 N ATOM 183 CA ILE A 23 5.725 -4.037 32.437 1.00 11.06 C ATOM 184 C ILE A 23 7.241 -4.173 32.327 1.00 11.83 C ATOM 185 O ILE A 23 7.928 -4.751 33.186 1.00 14.12 O ATOM 186 CB ILE A 23 5.375 -3.427 33.805 1.00 13.37 C ATOM 187 CG1 ILE A 23 3.862 -3.209 34.067 1.00 13.04 C ATOM 188 CG2 ILE A 23 6.053 -2.067 33.934 1.00 16.38 C ATOM 189 CD1 ILE A 23 3.542 -3.082 35.552 1.00 12.98 C ATOM 190 N THR A 24 7.753 -3.646 31.244 1.00 12.55 N ATOM 191 CA THR A 24 9.209 -3.643 31.020 1.00 14.10 C ATOM 192 C THR A 24 9.967 -2.660 31.922 1.00 13.87 C ATOM 193 O THR A 24 9.478 -1.633 32.421 1.00 13.20 O ATOM 194 CB THR A 24 9.378 -3.240 29.531 1.00 15.66 C ATOM 195 OG1 THR A 24 8.951 -1.900 29.246 1.00 17.27 O ATOM 196 CG2 THR A 24 8.485 -4.208 28.706 1.00 17.57 C ATOM 197 N LEU A 25 11.253 -2.909 32.155 1.00 13.50 N ATOM 198 CA LEU A 25 12.096 -2.042 32.976 1.00 15.57 C ATOM 199 C LEU A 25 12.167 -0.592 32.615 1.00 16.58 C ATOM 200 O LEU A 25 11.962 0.309 33.455 1.00 17.90 O ATOM 201 CB LEU A 25 13.521 -2.615 33.049 1.00 17.57 C ATOM 202 CG LEU A 25 13.648 -3.925 33.837 1.00 17.59 C ATOM 203 CD1 LEU A 25 15.116 -4.343 33.706 1.00 19.98 C ATOM 204 CD2 LEU A 25 13.249 -3.758 35.288 1.00 19.08 C ATOM 205 N PRO A 26 12.368 -0.228 31.334 1.00 17.00 N ATOM 206 CA PRO A 26 12.362 1.186 30.916 1.00 15.71 C ATOM 207 C PRO A 26 11.100 1.882 31.365 1.00 14.26 C ATOM 208 O PRO A 26 11.214 3.051 31.623 1.00 13.32 O ATOM 209 CB PRO A 26 12.449 1.173 29.401 1.00 14.57 C ATOM 210 CG PRO A 26 13.097 -0.139 29.125 1.00 14.13 C ATOM 211 CD PRO A 26 12.668 -1.120 30.185 1.00 16.14 C ATOM 212 N ASN A 27 9.938 1.254 31.423 1.00 12.85 N ATOM 213 CA ASN A 27 8.696 1.835 31.911 1.00 14.11 C ATOM 214 C ASN A 27 8.736 2.129 33.414 1.00 11.43 C ATOM 215 O ASN A 27 8.279 3.202 33.823 1.00 11.19 O ATOM 216 CB ASN A 27 7.498 0.903 31.595 1.00 12.45 C ATOM 217 CG ASN A 27 7.022 1.211 30.168 1.00 14.13 C ATOM 218 OD1 ASN A 27 6.417 2.286 29.999 1.00 13.68 O ATOM 219 ND2 ASN A 27 7.458 0.304 29.282 1.00 14.35 N ATOM 220 N TRP A 28 9.283 1.174 34.171 1.00 11.39 N ATOM 221 CA TRP A 28 9.403 1.396 35.618 1.00 12.75 C ATOM 222 C TRP A 28 10.402 2.536 35.896 1.00 14.46 C ATOM 223 O TRP A 28 10.174 3.327 36.825 1.00 13.42 O ATOM 224 CB TRP A 28 9.972 0.159 36.330 1.00 12.22 C ATOM 225 CG TRP A 28 9.062 -0.983 36.609 1.00 15.56 C ATOM 226 CD1 TRP A 28 9.091 -2.255 36.118 1.00 15.31 C ATOM 227 CD2 TRP A 28 7.937 -0.935 37.537 1.00 20.58 C ATOM 228 NE1 TRP A 28 8.054 -3.004 36.649 1.00 19.78 N ATOM 229 CE2 TRP A 28 7.322 -2.213 37.520 1.00 20.58 C ATOM 230 CE3 TRP A 28 7.335 0.121 38.284 1.00 21.14 C ATOM 231 CZ2 TRP A 28 6.184 -2.487 38.310 1.00 20.37 C ATOM 232 CZ3 TRP A 28 6.207 -0.172 39.051 1.00 19.50 C ATOM 233 CH2 TRP A 28 5.651 -1.454 39.019 1.00 17.78 C ATOM 234 N VAL A 29 11.547 2.527 35.154 1.00 12.56 N ATOM 235 CA VAL A 29 12.555 3.582 35.380 1.00 13.84 C ATOM 236 C VAL A 29 12.059 4.966 34.992 1.00 12.89 C ATOM 237 O VAL A 29 12.250 5.985 35.699 1.00 12.06 O ATOM 238 CB VAL A 29 13.860 3.159 34.608 1.00 16.56 C ATOM 239 CG1 VAL A 29 14.975 4.228 34.695 1.00 14.37 C ATOM 240 CG2 VAL A 29 14.331 1.777 35.088 1.00 15.38 C ATOM 241 N CYS A 30 11.365 5.070 33.815 1.00 11.99 N ATOM 242 CA CYS A 30 10.806 6.369 33.389 1.00 12.75 C ATOM 243 C CYS A 30 9.803 6.930 34.383 1.00 11.98 C ATOM 244 O CYS A 30 9.559 8.135 34.558 1.00 13.29 O ATOM 245 CB CYS A 30 10.090 6.180 32.056 1.00 13.86 C ATOM 246 SG CYS A 30 9.341 7.622 31.337 1.00 17.06 S ATOM 247 N THR A 31 9.051 5.990 35.005 1.00 11.75 N ATOM 248 CA THR A 31 8.066 6.331 36.006 1.00 11.78 C ATOM 249 C THR A 31 8.746 6.926 37.222 1.00 9.70 C ATOM 250 O THR A 31 8.325 7.972 37.657 1.00 10.67 O ATOM 251 CB THR A 31 7.188 5.126 36.482 1.00 13.45 C ATOM 252 OG1 THR A 31 6.456 4.689 35.322 1.00 12.68 O ATOM 253 CG2 THR A 31 6.233 5.484 37.614 1.00 13.71 C ATOM 254 N ALA A 32 9.762 6.244 37.691 1.00 10.71 N ATOM 255 CA ALA A 32 10.485 6.699 38.861 1.00 13.40 C ATOM 256 C ALA A 32 11.227 8.016 38.530 1.00 14.05 C ATOM 257 O ALA A 32 11.318 8.840 39.431 1.00 12.65 O ATOM 258 CB ALA A 32 11.440 5.625 39.364 1.00 12.44 C ATOM 259 N PHE A 33 11.690 8.183 37.278 1.00 13.96 N ATOM 260 CA PHE A 33 12.379 9.437 36.982 1.00 14.14 C ATOM 261 C PHE A 33 11.404 10.604 36.994 1.00 13.92 C ATOM 262 O PHE A 33 11.603 11.634 37.648 1.00 12.91 O ATOM 263 CB PHE A 33 13.120 9.371 35.627 1.00 16.07 C ATOM 264 CG PHE A 33 13.854 10.679 35.351 1.00 15.71 C ATOM 265 CD1 PHE A 33 14.958 11.036 36.096 1.00 14.26 C ATOM 266 CD2 PHE A 33 13.343 11.586 34.432 1.00 17.23 C ATOM 267 CE1 PHE A 33 15.623 12.217 35.872 1.00 15.52 C ATOM 268 CE2 PHE A 33 13.992 12.793 34.194 1.00 17.53 C ATOM 269 CZ PHE A 33 15.112 13.095 34.938 1.00 16.35 C ATOM 270 N HIS A 34 10.246 10.436 36.341 1.00 12.82 N ATOM 271 CA HIS A 34 9.300 11.527 36.336 1.00 12.00 C ATOM 272 C HIS A 34 8.549 11.740 37.631 1.00 14.73 C ATOM 273 O HIS A 34 8.097 12.846 37.947 1.00 14.80 O ATOM 274 CB HIS A 34 8.393 11.243 35.139 1.00 15.26 C ATOM 275 CG HIS A 34 9.133 11.555 33.883 1.00 17.58 C ATOM 276 ND1 HIS A 34 9.469 10.605 32.955 1.00 20.82 N ATOM 277 CD2 HIS A 34 9.641 12.740 33.423 1.00 19.84 C ATOM 278 CE1 HIS A 34 10.094 11.236 31.942 1.00 19.68 C ATOM 279 NE2 HIS A 34 10.220 12.536 32.177 1.00 19.51 N ATOM 280 N GLU A 35 8.381 10.735 38.473 1.00 14.04 N ATOM 281 CA GLU A 35 7.695 10.844 39.754 1.00 14.41 C ATOM 282 C GLU A 35 8.548 11.547 40.804 1.00 13.69 C ATOM 283 O GLU A 35 8.059 12.357 41.570 1.00 12.66 O ATOM 284 CB GLU A 35 7.329 9.448 40.339 1.00 11.25 C ATOM 285 CG GLU A 35 6.131 8.852 39.639 1.00 13.50 C ATOM 286 CD GLU A 35 4.787 9.523 39.846 1.00 18.08 C ATOM 287 OE1 GLU A 35 4.628 10.316 40.791 1.00 13.86 O ATOM 288 OE2 GLU A 35 3.814 9.351 39.056 1.00 18.04 O ATOM 289 N SER A 36 9.825 11.181 40.893 1.00 13.86 N ATOM 290 CA SER A 36 10.680 11.638 41.947 1.00 15.13 C ATOM 291 C SER A 36 12.077 12.056 41.543 1.00 14.10 C ATOM 292 O SER A 36 12.838 12.427 42.448 1.00 14.43 O ATOM 293 CB SER A 36 10.802 10.481 42.971 1.00 16.39 C ATOM 294 OG SER A 36 11.696 9.452 42.622 1.00 16.28 O ATOM 295 N SER A 37 12.450 11.902 40.294 1.00 14.45 N ATOM 296 CA SER A 37 13.840 12.222 39.893 1.00 15.98 C ATOM 297 C SER A 37 14.784 11.280 40.608 1.00 14.09 C ATOM 298 O SER A 37 15.898 11.673 40.950 1.00 16.23 O ATOM 299 CB SER A 37 14.322 13.649 40.207 1.00 18.18 C ATOM 300 OG ASER A 37 13.682 14.649 39.456 0.50 15.86 O ATOM 301 OG BSER A 37 15.596 13.894 39.587 0.50 19.51 O ATOM 302 N TYR A 38 14.352 10.065 40.895 1.00 12.72 N ATOM 303 CA TYR A 38 15.100 9.039 41.598 1.00 13.66 C ATOM 304 C TYR A 38 15.407 9.399 43.055 1.00 13.37 C ATOM 305 O TYR A 38 16.320 8.775 43.638 1.00 13.23 O ATOM 306 CB TYR A 38 16.404 8.652 40.907 1.00 14.85 C ATOM 307 CG TYR A 38 16.281 8.294 39.425 1.00 16.16 C ATOM 308 CD1 TYR A 38 15.242 7.507 38.927 1.00 14.79 C ATOM 309 CD2 TYR A 38 17.260 8.790 38.560 1.00 15.12 C ATOM 310 CE1 TYR A 38 15.206 7.222 37.578 1.00 15.90 C ATOM 311 CE2 TYR A 38 17.212 8.481 37.216 1.00 16.08 C ATOM 312 CZ TYR A 38 16.235 7.656 36.731 1.00 17.88 C ATOM 313 OH TYR A 38 16.184 7.367 35.375 1.00 18.22 O ATOM 314 N ASN A 39 14.629 10.327 43.617 1.00 12.89 N ATOM 315 CA ASN A 39 14.899 10.773 44.994 1.00 13.68 C ATOM 316 C ASN A 39 14.173 9.931 46.021 1.00 14.20 C ATOM 317 O ASN A 39 12.927 10.033 46.005 1.00 13.76 O ATOM 318 CB ASN A 39 14.472 12.226 45.145 1.00 15.77 C ATOM 319 CG ASN A 39 15.017 12.855 46.419 1.00 18.73 C ATOM 320 OD1 ASN A 39 15.507 12.152 47.288 1.00 18.46 O ATOM 321 ND2 ASN A 39 14.931 14.173 46.560 1.00 21.66 N ATOM 322 N THR A 40 14.870 9.160 46.845 1.00 11.97 N ATOM 323 CA THR A 40 14.199 8.313 47.812 1.00 14.66 C ATOM 324 C THR A 40 13.513 9.072 48.943 1.00 15.15 C ATOM 325 O THR A 40 12.689 8.564 49.687 1.00 13.99 O ATOM 326 CB THR A 40 15.116 7.271 48.529 1.00 15.98 C ATOM 327 OG1 THR A 40 15.990 8.057 49.337 1.00 16.78 O ATOM 328 CG2 THR A 40 15.833 6.378 47.540 1.00 16.73 C ATOM 329 N ARG A 41 13.786 10.336 49.108 1.00 16.49 N ATOM 330 CA ARG A 41 13.225 11.272 50.047 1.00 18.36 C ATOM 331 C ARG A 41 12.196 12.195 49.411 1.00 18.35 C ATOM 332 O ARG A 41 11.759 13.118 50.126 1.00 18.15 O ATOM 333 CB ARG A 41 14.361 12.080 50.721 1.00 21.34 C ATOM 334 CG ARG A 41 15.182 11.021 51.469 1.00 28.41 C ATOM 335 CD ARG A 41 15.996 11.655 52.559 1.00 38.55 C ATOM 336 NE ARG A 41 16.698 10.638 53.338 1.00 47.41 N ATOM 337 CZ ARG A 41 17.705 10.803 54.192 1.00 49.94 C ATOM 338 NH1 ARG A 41 18.240 11.993 54.464 1.00 52.43 N ATOM 339 NH2 ARG A 41 18.218 9.701 54.747 1.00 51.67 N ATOM 340 N ALA A 42 11.785 11.964 48.155 1.00 15.78 N ATOM 341 CA ALA A 42 10.800 12.887 47.572 1.00 15.91 C ATOM 342 C ALA A 42 9.429 12.721 48.243 1.00 17.71 C ATOM 343 O ALA A 42 8.972 11.661 48.645 1.00 15.25 O ATOM 344 CB ALA A 42 10.788 12.702 46.059 1.00 13.55 C ATOM 345 N THR A 43 8.741 13.848 48.496 1.00 16.59 N ATOM 346 CA THR A 43 7.419 13.887 49.081 1.00 19.13 C ATOM 347 C THR A 43 6.557 14.957 48.371 1.00 19.03 C ATOM 348 O THR A 43 7.101 15.964 47.859 1.00 19.59 O ATOM 349 CB THR A 43 7.365 14.139 50.604 1.00 19.47 C ATOM 350 OG1 THR A 43 7.706 15.515 50.827 1.00 23.17 O ATOM 351 CG2 THR A 43 8.219 13.236 51.467 1.00 17.65 C ATOM 352 N ASN A 44 5.259 14.765 48.291 1.00 16.15 N ATOM 353 CA ASN A 44 4.344 15.675 47.649 1.00 15.99 C ATOM 354 C ASN A 44 3.046 15.677 48.464 1.00 14.64 C ATOM 355 O ASN A 44 2.450 14.649 48.622 1.00 12.42 O ATOM 356 CB ASN A 44 4.007 15.186 46.234 1.00 16.24 C ATOM 357 CG ASN A 44 3.314 16.166 45.314 1.00 19.19 C ATOM 358 OD1 ASN A 44 3.797 17.263 45.051 1.00 19.98 O ATOM 359 ND2 ASN A 44 2.210 15.813 44.676 1.00 19.56 N ATOM 360 N AHIS A 45 2.643 16.834 48.976 0.50 14.64 N ATOM 361 N BHIS A 45 2.646 16.853 48.892 0.50 15.25 N ATOM 362 CA AHIS A 45 1.442 16.975 49.793 0.50 15.60 C ATOM 363 CA BHIS A 45 1.466 17.082 49.702 0.50 17.06 C ATOM 364 C AHIS A 45 0.249 17.289 48.907 0.50 13.81 C ATOM 365 C BHIS A 45 0.233 17.324 48.871 0.50 14.47 C ATOM 366 O AHIS A 45 0.361 18.297 48.221 0.50 13.04 O ATOM 367 O BHIS A 45 0.470 17.958 47.836 0.50 12.53 O ATOM 368 CB AHIS A 45 1.510 18.111 50.824 0.50 14.98 C ATOM 369 CB BHIS A 45 1.791 18.371 50.507 0.50 21.61 C ATOM 370 CG AHIS A 45 0.345 18.072 51.787 0.50 19.36 C ATOM 371 CG BHIS A 45 2.827 18.038 51.539 0.50 29.19 C ATOM 372 ND1AHIS A 45 -0.133 16.872 52.303 0.50 21.35 N ATOM 373 ND1BHIS A 45 4.062 17.512 51.202 0.50 35.22 N ATOM 374 CD2AHIS A 45 -0.400 19.030 52.394 0.50 19.28 C ATOM 375 CD2BHIS A 45 2.776 18.172 52.887 0.50 32.57 C ATOM 376 CE1AHIS A 45 -1.104 17.089 53.154 0.50 19.84 C ATOM 377 CE1BHIS A 45 4.866 17.486 52.351 0.50 37.52 C ATOM 378 NE2AHIS A 45 -1.282 18.388 53.214 0.50 21.69 N ATOM 379 NE2BHIS A 45 3.944 17.659 53.420 0.50 36.90 N ATOM 380 N ASN A 46 -0.800 16.500 49.006 1.00 13.76 N ATOM 381 CA ASN A 46 -1.949 16.676 48.113 1.00 13.69 C ATOM 382 C ASN A 46 -3.097 17.482 48.680 1.00 13.75 C ATOM 383 O ASN A 46 -3.153 17.627 49.896 1.00 14.80 O ATOM 384 CB ASN A 46 -2.443 15.273 47.772 1.00 13.16 C ATOM 385 CG ASN A 46 -1.353 14.498 47.008 1.00 14.25 C ATOM 386 OD1 ASN A 46 -0.870 15.039 46.017 1.00 13.36 O ATOM 387 ND2 ASN A 46 -1.002 13.321 47.423 1.00 10.83 N ATOM 388 N THR A 47 -4.083 17.896 47.909 1.00 13.43 N ATOM 389 CA THR A 47 -5.210 18.684 48.360 1.00 14.62 C ATOM 390 C THR A 47 -6.134 17.947 49.297 1.00 14.00 C ATOM 391 O THR A 47 -6.838 18.593 50.054 1.00 13.01 O ATOM 392 CB THR A 47 -6.158 19.278 47.257 1.00 14.51 C ATOM 393 OG1 THR A 47 -6.878 18.252 46.623 1.00 13.59 O ATOM 394 CG2 THR A 47 -5.309 20.098 46.302 1.00 15.38 C ATOM 395 N ASP A 48 -6.148 16.638 49.285 1.00 14.26 N ATOM 396 CA ASP A 48 -7.016 15.879 50.156 1.00 13.57 C ATOM 397 C ASP A 48 -6.342 15.543 51.477 1.00 14.60 C ATOM 398 O ASP A 48 -6.826 14.695 52.257 1.00 13.42 O ATOM 399 CB ASP A 48 -7.449 14.645 49.365 1.00 15.11 C ATOM 400 CG ASP A 48 -6.322 13.628 49.120 1.00 13.83 C ATOM 401 OD1 ASP A 48 -5.146 13.943 49.313 1.00 11.68 O ATOM 402 OD2 ASP A 48 -6.651 12.494 48.705 1.00 15.56 O ATOM 403 N GLY A 49 -5.175 16.135 51.745 1.00 12.86 N ATOM 404 CA GLY A 49 -4.457 15.909 52.993 1.00 13.25 C ATOM 405 C GLY A 49 -3.512 14.727 52.935 1.00 13.27 C ATOM 406 O GLY A 49 -2.797 14.422 53.873 1.00 14.87 O ATOM 407 N SER A 50 -3.540 13.959 51.847 1.00 13.04 N ATOM 408 CA SER A 50 -2.604 12.846 51.730 1.00 11.71 C ATOM 409 C SER A 50 -1.314 13.462 51.194 1.00 12.79 C ATOM 410 O SER A 50 -1.148 14.585 50.706 1.00 10.65 O ATOM 411 CB SER A 50 -3.201 11.741 50.854 1.00 11.65 C ATOM 412 OG SER A 50 -3.248 12.088 49.457 1.00 10.96 O ATOM 413 N THR A 51 -0.267 12.622 51.246 1.00 14.03 N ATOM 414 CA THR A 51 1.109 12.820 50.822 1.00 13.05 C ATOM 415 C THR A 51 1.603 11.571 50.062 1.00 13.84 C ATOM 416 O THR A 51 1.220 10.425 50.300 1.00 11.35 O ATOM 417 CB THR A 51 2.048 13.127 52.009 1.00 13.74 C ATOM 418 OG1 THR A 51 1.460 14.249 52.714 1.00 14.66 O ATOM 419 CG2 THR A 51 3.479 13.423 51.564 1.00 14.05 C ATOM 420 N ASP A 52 2.371 11.858 48.989 1.00 12.06 N ATOM 421 CA ASP A 52 3.052 10.854 48.171 1.00 12.50 C ATOM 422 C ASP A 52 4.518 10.783 48.632 1.00 10.64 C ATOM 423 O ASP A 52 5.205 11.773 48.790 1.00 10.37 O ATOM 424 CB ASP A 52 3.035 11.109 46.660 1.00 13.36 C ATOM 425 CG ASP A 52 1.622 11.377 46.158 1.00 12.76 C ATOM 426 OD1 ASP A 52 0.663 10.731 46.619 1.00 13.55 O ATOM 427 OD2 ASP A 52 1.473 12.192 45.241 1.00 19.81 O ATOM 428 N TYR A 53 4.925 9.559 48.952 1.00 10.95 N ATOM 429 CA TYR A 53 6.227 9.325 49.521 1.00 11.05 C ATOM 430 C TYR A 53 7.216 8.481 48.703 1.00 12.04 C ATOM 431 O TYR A 53 6.864 7.405 48.202 1.00 10.57 O ATOM 432 CB TYR A 53 6.006 8.462 50.791 1.00 10.79 C ATOM 433 CG TYR A 53 5.400 9.284 51.901 1.00 11.97 C ATOM 434 CD1 TYR A 53 6.196 10.048 52.758 1.00 13.29 C ATOM 435 CD2 TYR A 53 4.020 9.272 52.070 1.00 12.00 C ATOM 436 CE1 TYR A 53 5.592 10.785 53.787 1.00 14.00 C ATOM 437 CE2 TYR A 53 3.398 10.006 53.072 1.00 10.82 C ATOM 438 CZ TYR A 53 4.212 10.708 53.943 1.00 12.80 C ATOM 439 OH TYR A 53 3.621 11.465 54.922 1.00 15.34 O ATOM 440 N GLY A 54 8.486 8.943 48.709 1.00 11.94 N ATOM 441 CA GLY A 54 9.596 8.216 48.158 1.00 10.82 C ATOM 442 C GLY A 54 9.721 8.220 46.648 1.00 12.57 C ATOM 443 O GLY A 54 9.115 8.917 45.832 1.00 12.52 O ATOM 444 N ILE A 55 10.581 7.305 46.206 1.00 12.40 N ATOM 445 CA ILE A 55 10.961 7.154 44.802 1.00 13.60 C ATOM 446 C ILE A 55 9.835 6.828 43.849 1.00 14.00 C ATOM 447 O ILE A 55 9.882 7.288 42.713 1.00 13.57 O ATOM 448 CB ILE A 55 12.100 6.105 44.719 1.00 14.90 C ATOM 449 CG1 ILE A 55 12.629 6.181 43.266 1.00 15.48 C ATOM 450 CG2 ILE A 55 11.658 4.675 45.074 1.00 16.10 C ATOM 451 CD1 ILE A 55 14.043 5.597 43.238 1.00 16.72 C ATOM 452 N LEU A 56 8.808 6.098 44.302 1.00 12.30 N ATOM 453 CA LEU A 56 7.662 5.789 43.464 1.00 11.98 C ATOM 454 C LEU A 56 6.434 6.555 43.936 1.00 11.61 C ATOM 455 O LEU A 56 5.292 6.337 43.504 1.00 12.05 O ATOM 456 CB LEU A 56 7.514 4.270 43.427 1.00 12.68 C ATOM 457 CG LEU A 56 8.326 3.540 42.334 1.00 15.37 C ATOM 458 CD1 LEU A 56 8.185 2.040 42.499 1.00 17.08 C ATOM 459 CD2 LEU A 56 7.880 3.869 40.926 1.00 14.89 C ATOM 460 N GLN A 57 6.657 7.540 44.824 1.00 10.66 N ATOM 461 CA GLN A 57 5.563 8.429 45.257 1.00 11.55 C ATOM 462 C GLN A 57 4.309 7.674 45.676 1.00 12.06 C ATOM 463 O GLN A 57 3.209 7.808 45.138 1.00 13.68 O ATOM 464 CB GLN A 57 5.314 9.364 44.055 1.00 10.02 C ATOM 465 CG GLN A 57 6.446 10.412 43.932 1.00 8.39 C ATOM 466 CD GLN A 57 6.457 11.393 45.064 1.00 9.15 C ATOM 467 OE1 GLN A 57 5.724 12.400 45.030 1.00 9.65 O ATOM 468 NE2 GLN A 57 7.276 11.199 46.074 1.00 8.98 N ATOM 469 N ILE A 58 4.436 6.828 46.688 1.00 12.46 N ATOM 470 CA ILE A 58 3.344 5.967 47.179 1.00 12.03 C ATOM 471 C ILE A 58 2.493 6.768 48.127 1.00 11.76 C ATOM 472 O ILE A 58 3.014 7.411 49.028 1.00 12.12 O ATOM 473 CB ILE A 58 4.020 4.691 47.734 1.00 12.42 C ATOM 474 CG1 ILE A 58 4.613 3.892 46.536 1.00 13.79 C ATOM 475 CG2 ILE A 58 3.036 3.871 48.513 1.00 8.89 C ATOM 476 CD1 ILE A 58 5.304 2.645 46.991 1.00 14.33 C ATOM 477 N ASN A 59 1.179 6.730 47.935 1.00 11.49 N ATOM 478 CA ASN A 59 0.250 7.608 48.623 1.00 12.17 C ATOM 479 C ASN A 59 -0.250 7.203 49.973 1.00 12.78 C ATOM 480 O ASN A 59 -0.550 6.019 50.116 1.00 13.99 O ATOM 481 CB ASN A 59 -0.899 7.797 47.636 1.00 11.68 C ATOM 482 CG ASN A 59 -1.953 8.737 48.178 1.00 13.05 C ATOM 483 OD1 ASN A 59 -2.966 8.216 48.669 1.00 14.67 O ATOM 484 ND2 ASN A 59 -1.788 10.026 48.009 1.00 11.97 N ATOM 485 N SER A 60 -0.318 8.102 50.962 1.00 12.09 N ATOM 486 CA SER A 60 -0.731 7.718 52.297 1.00 11.12 C ATOM 487 C SER A 60 -2.210 7.589 52.596 1.00 13.90 C ATOM 488 O SER A 60 -2.603 7.344 53.745 1.00 13.69 O ATOM 489 CB SER A 60 -0.114 8.735 53.273 1.00 11.34 C ATOM 490 OG SER A 60 -0.736 9.980 52.950 1.00 12.20 O ATOM 491 N ARG A 61 -3.106 7.740 51.633 1.00 15.16 N ATOM 492 CA ARG A 61 -4.538 7.558 51.848 1.00 16.98 C ATOM 493 C ARG A 61 -4.838 6.105 51.518 1.00 18.13 C ATOM 494 O ARG A 61 -5.713 5.486 52.102 1.00 17.91 O ATOM 495 CB ARG A 61 -5.359 8.461 50.957 1.00 20.38 C ATOM 496 CG ARG A 61 -6.728 7.988 50.551 1.00 28.84 C ATOM 497 CD ARG A 61 -7.509 9.143 49.925 1.00 32.95 C ATOM 498 NE ARG A 61 -8.329 9.663 51.014 1.00 41.86 N ATOM 499 CZ ARG A 61 -9.473 9.068 51.372 1.00 48.21 C ATOM 500 NH1 ARG A 61 -9.899 7.965 50.729 1.00 51.23 N ATOM 501 NH2 ARG A 61 -10.206 9.547 52.396 1.00 50.42 N ATOM 502 N TYR A 62 -4.154 5.572 50.491 1.00 18.37 N ATOM 503 CA TYR A 62 -4.487 4.170 50.170 1.00 19.86 C ATOM 504 C TYR A 62 -3.447 3.112 50.512 1.00 17.15 C ATOM 505 O TYR A 62 -3.913 1.985 50.631 1.00 16.50 O ATOM 506 CB TYR A 62 -4.736 3.861 48.673 1.00 24.15 C ATOM 507 CG TYR A 62 -5.685 4.846 48.058 1.00 29.18 C ATOM 508 CD1 TYR A 62 -7.030 4.786 48.387 1.00 31.67 C ATOM 509 CD2 TYR A 62 -5.186 5.868 47.269 1.00 31.15 C ATOM 510 CE1 TYR A 62 -7.910 5.727 47.870 1.00 33.68 C ATOM 511 CE2 TYR A 62 -6.065 6.814 46.790 1.00 33.83 C ATOM 512 CZ TYR A 62 -7.404 6.731 47.084 1.00 34.13 C ATOM 513 OH TYR A 62 -8.248 7.664 46.545 1.00 38.58 O ATOM 514 N TRP A 63 -2.158 3.497 50.484 1.00 13.87 N ATOM 515 CA TRP A 63 -1.163 2.448 50.564 1.00 12.67 C ATOM 516 C TRP A 63 -0.330 2.414 51.810 1.00 10.85 C ATOM 517 O TRP A 63 -0.026 1.263 52.148 1.00 11.17 O ATOM 518 CB TRP A 63 -0.253 2.567 49.302 1.00 12.47 C ATOM 519 CG TRP A 63 -1.082 2.544 48.045 1.00 12.66 C ATOM 520 CD1 TRP A 63 -1.411 3.606 47.235 1.00 8.97 C ATOM 521 CD2 TRP A 63 -1.738 1.371 47.528 1.00 12.76 C ATOM 522 NE1 TRP A 63 -2.206 3.145 46.216 1.00 13.68 N ATOM 523 CE2 TRP A 63 -2.447 1.787 46.384 1.00 11.46 C ATOM 524 CE3 TRP A 63 -1.776 0.035 47.928 1.00 11.63 C ATOM 525 CZ2 TRP A 63 -3.197 0.911 45.608 1.00 14.38 C ATOM 526 CZ3 TRP A 63 -2.546 -0.852 47.196 1.00 11.51 C ATOM 527 CH2 TRP A 63 -3.271 -0.396 46.061 1.00 13.77 C ATOM 528 N CYS A 64 0.058 3.562 52.343 1.00 10.96 N ATOM 529 CA CYS A 64 0.943 3.500 53.525 1.00 12.51 C ATOM 530 C CYS A 64 0.358 4.314 54.655 1.00 12.08 C ATOM 531 O CYS A 64 -0.476 5.203 54.414 1.00 12.64 O ATOM 532 CB CYS A 64 2.386 3.958 53.219 1.00 9.88 C ATOM 533 SG CYS A 64 2.581 5.678 52.684 1.00 11.59 S ATOM 534 N HIS A 65 0.857 4.093 55.869 1.00 12.86 N ATOM 535 CA HIS A 65 0.275 4.866 56.991 1.00 15.61 C ATOM 536 C HIS A 65 1.222 5.944 57.495 1.00 15.28 C ATOM 537 O HIS A 65 2.407 5.624 57.729 1.00 13.95 O ATOM 538 CB HIS A 65 -0.065 3.843 58.088 1.00 20.35 C ATOM 539 CG HIS A 65 -0.505 4.449 59.385 1.00 26.70 C ATOM 540 ND1 HIS A 65 -1.739 5.069 59.527 1.00 29.15 N ATOM 541 CD2 HIS A 65 0.116 4.540 60.595 1.00 28.43 C ATOM 542 CE1 HIS A 65 -1.861 5.500 60.780 1.00 29.29 C ATOM 543 NE2 HIS A 65 -0.758 5.193 61.440 1.00 30.01 N ATOM 544 N ASP A 66 0.764 7.202 57.560 1.00 15.59 N ATOM 545 CA ASP A 66 1.634 8.261 58.065 1.00 16.94 C ATOM 546 C ASP A 66 1.077 8.812 59.392 1.00 19.72 C ATOM 547 O ASP A 66 1.723 9.685 59.984 1.00 20.61 O ATOM 548 CB ASP A 66 1.935 9.428 57.123 1.00 14.99 C ATOM 549 CG ASP A 66 0.778 10.207 56.561 1.00 16.36 C ATOM 550 OD1 ASP A 66 -0.411 10.001 56.935 1.00 14.56 O ATOM 551 OD2 ASP A 66 1.030 11.044 55.661 1.00 14.91 O ATOM 552 N GLY A 67 -0.083 8.347 59.851 1.00 20.19 N ATOM 553 CA GLY A 67 -0.622 8.851 61.093 1.00 22.40 C ATOM 554 C GLY A 67 -1.315 10.191 60.942 1.00 23.71 C ATOM 555 O GLY A 67 -1.756 10.698 61.992 1.00 25.97 O ATOM 556 N LYS A 68 -1.481 10.833 59.776 1.00 23.35 N ATOM 557 CA LYS A 68 -2.137 12.143 59.699 1.00 21.01 C ATOM 558 C LYS A 68 -2.998 12.259 58.471 1.00 20.14 C ATOM 559 O LYS A 68 -3.412 13.377 58.163 1.00 21.69 O ATOM 560 CB LYS A 68 -1.143 13.311 59.637 1.00 21.41 C ATOM 561 CG LYS A 68 -0.162 13.136 58.515 1.00 21.86 C ATOM 562 CD LYS A 68 1.016 14.085 58.524 1.00 26.64 C ATOM 563 CE LYS A 68 0.862 14.950 57.277 1.00 32.40 C ATOM 564 NZ LYS A 68 2.068 15.055 56.396 1.00 35.68 N ATOM 565 N THR A 69 -3.310 11.174 57.795 1.00 19.90 N ATOM 566 CA THR A 69 -4.106 11.260 56.580 1.00 20.28 C ATOM 567 C THR A 69 -5.512 10.772 56.831 1.00 23.73 C ATOM 568 O THR A 69 -5.596 9.653 57.292 1.00 24.42 O ATOM 569 CB THR A 69 -3.483 10.383 55.459 1.00 16.71 C ATOM 570 OG1 THR A 69 -2.165 10.932 55.331 1.00 15.70 O ATOM 571 CG2 THR A 69 -4.311 10.450 54.193 1.00 12.79 C ATOM 572 N PRO A 70 -6.516 11.534 56.432 1.00 25.78 N ATOM 573 CA PRO A 70 -7.883 11.133 56.600 1.00 27.63 C ATOM 574 C PRO A 70 -8.257 9.979 55.686 1.00 27.94 C ATOM 575 O PRO A 70 -7.892 9.984 54.497 1.00 30.63 O ATOM 576 CB PRO A 70 -8.729 12.362 56.200 1.00 27.93 C ATOM 577 CG PRO A 70 -7.772 13.371 55.699 1.00 27.61 C ATOM 578 CD PRO A 70 -6.366 12.875 55.833 1.00 26.58 C ATOM 579 N GLY A 71 -8.939 9.004 56.257 1.00 27.97 N ATOM 580 CA GLY A 71 -9.379 7.867 55.464 1.00 29.25 C ATOM 581 C GLY A 71 -8.271 6.916 55.018 1.00 28.20 C ATOM 582 O GLY A 71 -8.412 6.255 53.982 1.00 30.07 O ATOM 583 N SER A 72 -7.210 6.815 55.788 1.00 26.09 N ATOM 584 CA SER A 72 -6.108 5.931 55.410 1.00 25.50 C ATOM 585 C SER A 72 -6.530 4.472 55.294 1.00 25.20 C ATOM 586 O SER A 72 -7.306 3.960 56.142 1.00 24.13 O ATOM 587 CB SER A 72 -5.070 6.253 56.504 1.00 25.12 C ATOM 588 OG SER A 72 -3.972 5.381 56.364 1.00 29.08 O ATOM 589 N LYS A 73 -6.145 3.727 54.261 1.00 22.81 N ATOM 590 CA LYS A 73 -6.449 2.314 54.131 1.00 21.25 C ATOM 591 C LYS A 73 -5.190 1.526 54.420 1.00 23.31 C ATOM 592 O LYS A 73 -5.344 0.349 54.768 1.00 24.80 O ATOM 593 CB LYS A 73 -6.993 1.890 52.774 1.00 23.06 C ATOM 594 CG LYS A 73 -8.466 2.274 52.772 1.00 30.67 C ATOM 595 CD LYS A 73 -8.986 2.855 51.480 1.00 37.78 C ATOM 596 CE LYS A 73 -10.502 3.053 51.472 1.00 43.39 C ATOM 597 NZ LYS A 73 -10.982 4.444 51.790 1.00 47.98 N ATOM 598 N ASN A 74 -3.981 2.072 54.329 1.00 19.46 N ATOM 599 CA ASN A 74 -2.778 1.304 54.613 1.00 17.91 C ATOM 600 C ASN A 74 -2.770 -0.082 53.964 1.00 16.29 C ATOM 601 O ASN A 74 -2.468 -1.103 54.571 1.00 15.49 O ATOM 602 CB ASN A 74 -2.508 1.128 56.094 1.00 18.31 C ATOM 603 CG ASN A 74 -1.105 0.651 56.379 1.00 17.06 C ATOM 604 OD1 ASN A 74 -0.260 0.691 55.510 1.00 17.57 O ATOM 605 ND2 ASN A 74 -0.941 0.219 57.605 1.00 20.58 N ATOM 606 N ALA A 75 -3.004 -0.117 52.664 1.00 13.80 N ATOM 607 CA ALA A 75 -3.087 -1.405 51.960 1.00 15.87 C ATOM 608 C ALA A 75 -1.745 -2.118 51.813 1.00 14.78 C ATOM 609 O ALA A 75 -1.727 -3.387 51.796 1.00 15.19 O ATOM 610 CB ALA A 75 -3.870 -1.154 50.664 1.00 13.74 C ATOM 611 N CYS A 76 -0.614 -1.382 51.845 1.00 12.19 N ATOM 612 CA CYS A 76 0.659 -2.096 51.808 1.00 11.17 C ATOM 613 C CYS A 76 1.090 -2.532 53.184 1.00 13.59 C ATOM 614 O CYS A 76 2.082 -3.233 53.349 1.00 12.86 O ATOM 615 CB CYS A 76 1.713 -1.234 51.090 1.00 12.24 C ATOM 616 SG CYS A 76 1.510 -1.261 49.263 1.00 11.30 S ATOM 617 N ASN A 77 0.409 -2.089 54.230 1.00 12.96 N ATOM 618 CA ASN A 77 0.664 -2.444 55.620 1.00 14.23 C ATOM 619 C ASN A 77 2.066 -2.004 56.014 1.00 14.82 C ATOM 620 O ASN A 77 2.892 -2.764 56.512 1.00 14.08 O ATOM 621 CB ASN A 77 0.440 -3.950 55.853 1.00 13.68 C ATOM 622 CG ASN A 77 0.443 -4.277 57.326 1.00 13.23 C ATOM 623 OD1 ASN A 77 0.146 -3.367 58.112 1.00 15.10 O ATOM 624 ND2 ASN A 77 0.802 -5.500 57.707 1.00 13.40 N ATOM 625 N ILE A 78 2.334 -0.696 55.778 1.00 15.43 N ATOM 626 CA ILE A 78 3.693 -0.218 56.024 1.00 14.86 C ATOM 627 C ILE A 78 3.691 1.236 56.423 1.00 15.00 C ATOM 628 O ILE A 78 2.829 1.974 55.941 1.00 15.56 O ATOM 629 CB ILE A 78 4.572 -0.353 54.733 1.00 16.04 C ATOM 630 CG1 ILE A 78 6.016 0.069 54.967 1.00 15.67 C ATOM 631 CG2 ILE A 78 3.960 0.387 53.544 1.00 12.18 C ATOM 632 CD1 ILE A 78 6.910 -0.454 53.830 1.00 19.42 C ATOM 633 N SER A 79 4.642 1.592 57.295 1.00 13.56 N ATOM 634 CA SER A 79 4.696 3.020 57.644 1.00 13.27 C ATOM 635 C SER A 79 5.201 3.784 56.458 1.00 11.46 C ATOM 636 O SER A 79 6.208 3.338 55.906 1.00 11.11 O ATOM 637 CB SER A 79 5.738 3.169 58.748 1.00 15.97 C ATOM 638 OG SER A 79 5.569 4.475 59.248 1.00 22.16 O ATOM 639 N CYS A 80 4.635 4.922 56.118 1.00 13.41 N ATOM 640 CA CYS A 80 5.158 5.743 54.992 1.00 13.56 C ATOM 641 C CYS A 80 6.616 6.161 55.194 1.00 13.58 C ATOM 642 O CYS A 80 7.338 6.348 54.206 1.00 10.52 O ATOM 643 CB CYS A 80 4.372 7.036 54.789 1.00 9.83 C ATOM 644 SG CYS A 80 2.636 6.775 54.401 1.00 9.90 S ATOM 645 N SER A 81 7.070 6.286 56.451 1.00 12.61 N ATOM 646 CA SER A 81 8.434 6.644 56.799 1.00 12.96 C ATOM 647 C SER A 81 9.419 5.635 56.264 1.00 13.75 C ATOM 648 O SER A 81 10.590 6.007 56.018 1.00 14.47 O ATOM 649 CB SER A 81 8.589 6.807 58.348 1.00 13.22 C ATOM 650 OG SER A 81 8.678 5.488 58.870 1.00 19.09 O ATOM 651 N LYS A 82 8.978 4.393 56.033 1.00 13.50 N ATOM 652 CA LYS A 82 9.814 3.318 55.517 1.00 15.06 C ATOM 653 C LYS A 82 10.008 3.538 54.008 1.00 15.71 C ATOM 654 O LYS A 82 10.777 2.855 53.344 1.00 15.89 O ATOM 655 CB LYS A 82 9.173 1.948 55.643 1.00 16.10 C ATOM 656 CG LYS A 82 8.953 1.306 56.980 1.00 20.48 C ATOM 657 CD LYS A 82 10.257 1.360 57.758 1.00 26.01 C ATOM 658 CE LYS A 82 10.620 -0.046 58.277 1.00 29.74 C ATOM 659 NZ LYS A 82 12.068 -0.249 57.881 1.00 34.67 N ATOM 660 N LEU A 83 9.189 4.420 53.442 1.00 15.22 N ATOM 661 CA LEU A 83 9.334 4.779 52.030 1.00 14.44 C ATOM 662 C LEU A 83 10.184 6.044 51.869 1.00 13.07 C ATOM 663 O LEU A 83 10.216 6.549 50.742 1.00 12.18 O ATOM 664 CB LEU A 83 7.958 4.827 51.363 1.00 10.58 C ATOM 665 CG LEU A 83 7.032 3.646 51.669 1.00 10.53 C ATOM 666 CD1 LEU A 83 5.719 3.828 50.928 1.00 13.06 C ATOM 667 CD2 LEU A 83 7.664 2.334 51.270 1.00 10.81 C ATOM 668 N LEU A 84 10.858 6.558 52.889 1.00 12.57 N ATOM 669 CA LEU A 84 11.723 7.733 52.761 1.00 16.12 C ATOM 670 C LEU A 84 13.195 7.470 53.102 1.00 18.67 C ATOM 671 O LEU A 84 14.077 8.310 53.248 1.00 19.96 O ATOM 672 CB LEU A 84 11.247 8.910 53.591 1.00 14.40 C ATOM 673 CG LEU A 84 9.852 9.439 53.211 1.00 14.71 C ATOM 674 CD1 LEU A 84 9.337 10.294 54.383 1.00 17.29 C ATOM 675 CD2 LEU A 84 9.871 10.193 51.908 1.00 13.25 C ATOM 676 N ASP A 85 13.468 6.169 53.295 1.00 21.49 N ATOM 677 CA ASP A 85 14.850 5.765 53.613 1.00 21.36 C ATOM 678 C ASP A 85 15.561 5.392 52.291 1.00 21.06 C ATOM 679 O ASP A 85 15.042 5.609 51.196 1.00 17.88 O ATOM 680 CB ASP A 85 14.872 4.697 54.690 1.00 18.17 C ATOM 681 CG ASP A 85 14.151 3.418 54.300 1.00 19.35 C ATOM 682 OD1 ASP A 85 13.817 3.102 53.135 1.00 17.65 O ATOM 683 OD2 ASP A 85 13.905 2.656 55.252 1.00 19.99 O ATOM 684 N ASP A 86 16.785 4.881 52.449 1.00 20.70 N ATOM 685 CA ASP A 86 17.628 4.550 51.317 1.00 22.04 C ATOM 686 C ASP A 86 17.462 3.134 50.828 1.00 22.27 C ATOM 687 O ASP A 86 18.042 2.825 49.740 1.00 24.47 O ATOM 688 CB ASP A 86 19.101 4.867 51.706 1.00 26.68 C ATOM 689 CG ASP A 86 19.295 6.368 51.850 1.00 29.40 C ATOM 690 OD1 ASP A 86 18.471 7.095 51.232 1.00 32.96 O ATOM 691 OD2 ASP A 86 20.143 6.961 52.545 1.00 31.82 O ATOM 692 N ASP A 87 16.665 2.266 51.427 1.00 18.76 N ATOM 693 CA ASP A 87 16.523 0.942 50.822 1.00 18.19 C ATOM 694 C ASP A 87 15.159 0.863 50.130 1.00 18.60 C ATOM 695 O ASP A 87 14.200 1.067 50.861 1.00 18.86 O ATOM 696 CB ASP A 87 16.626 -0.125 51.880 1.00 22.39 C ATOM 697 CG ASP A 87 16.487 -1.520 51.309 1.00 26.46 C ATOM 698 OD1 ASP A 87 16.336 -1.861 50.130 1.00 30.07 O ATOM 699 OD2 ASP A 87 16.499 -2.447 52.144 1.00 31.82 O ATOM 700 N ILE A 88 15.054 0.617 48.837 1.00 15.41 N ATOM 701 CA ILE A 88 13.819 0.605 48.127 1.00 15.49 C ATOM 702 C ILE A 88 13.186 -0.767 47.992 1.00 16.19 C ATOM 703 O ILE A 88 12.191 -0.895 47.262 1.00 16.92 O ATOM 704 CB ILE A 88 13.897 1.220 46.722 1.00 14.36 C ATOM 705 CG1 ILE A 88 14.934 0.584 45.814 1.00 15.66 C ATOM 706 CG2 ILE A 88 14.171 2.713 46.998 1.00 14.74 C ATOM 707 CD1 ILE A 88 14.878 1.103 44.369 1.00 13.70 C ATOM 708 N THR A 89 13.671 -1.728 48.758 1.00 14.26 N ATOM 709 CA THR A 89 13.103 -3.049 48.714 1.00 15.12 C ATOM 710 C THR A 89 11.622 -3.026 49.052 1.00 13.41 C ATOM 711 O THR A 89 10.781 -3.537 48.312 1.00 13.46 O ATOM 712 CB THR A 89 13.858 -4.028 49.652 1.00 14.56 C ATOM 713 OG1 THR A 89 15.216 -4.077 49.325 1.00 17.18 O ATOM 714 CG2 THR A 89 13.306 -5.420 49.450 1.00 19.57 C ATOM 715 N ASP A 90 11.260 -2.483 50.195 1.00 14.87 N ATOM 716 CA ASP A 90 9.829 -2.460 50.630 1.00 14.10 C ATOM 717 C ASP A 90 8.987 -1.550 49.747 1.00 13.38 C ATOM 718 O ASP A 90 7.849 -1.923 49.449 1.00 12.39 O ATOM 719 CB ASP A 90 9.709 -2.116 52.112 1.00 11.86 C ATOM 720 CG ASP A 90 10.576 -0.964 52.543 1.00 14.43 C ATOM 721 OD1 ASP A 90 11.224 -0.175 51.813 1.00 12.76 O ATOM 722 OD2 ASP A 90 10.585 -0.765 53.818 1.00 17.59 O ATOM 723 N ASP A 91 9.605 -0.440 49.263 1.00 12.62 N ATOM 724 CA ASP A 91 8.968 0.454 48.304 1.00 12.09 C ATOM 725 C ASP A 91 8.567 -0.272 47.003 1.00 13.55 C ATOM 726 O ASP A 91 7.438 -0.168 46.466 1.00 11.80 O ATOM 727 CB ASP A 91 9.853 1.582 47.866 1.00 12.99 C ATOM 728 CG ASP A 91 10.376 2.612 48.837 1.00 12.77 C ATOM 729 OD1 ASP A 91 11.020 2.031 49.742 1.00 15.78 O ATOM 730 OD2 ASP A 91 10.168 3.845 48.721 1.00 11.36 O ATOM 731 N LEU A 92 9.502 -1.104 46.533 1.00 11.74 N ATOM 732 CA LEU A 92 9.231 -1.901 45.333 1.00 12.96 C ATOM 733 C LEU A 92 8.206 -3.008 45.484 1.00 12.10 C ATOM 734 O LEU A 92 7.357 -3.327 44.645 1.00 11.20 O ATOM 735 CB LEU A 92 10.580 -2.469 44.867 1.00 15.76 C ATOM 736 CG LEU A 92 11.544 -1.479 44.210 1.00 15.36 C ATOM 737 CD1 LEU A 92 12.717 -2.268 43.602 1.00 17.96 C ATOM 738 CD2 LEU A 92 10.960 -0.627 43.115 1.00 17.54 C ATOM 739 N LYS A 93 8.228 -3.631 46.660 1.00 11.77 N ATOM 740 CA LYS A 93 7.237 -4.620 47.007 1.00 13.14 C ATOM 741 C LYS A 93 5.871 -3.963 47.139 1.00 13.91 C ATOM 742 O LYS A 93 4.891 -4.649 46.786 1.00 15.57 O ATOM 743 CB LYS A 93 7.590 -5.309 48.310 1.00 19.96 C ATOM 744 CG LYS A 93 9.011 -5.937 48.337 1.00 28.60 C ATOM 745 CD LYS A 93 9.035 -6.818 49.606 1.00 33.95 C ATOM 746 CE LYS A 93 10.417 -6.910 50.212 1.00 38.02 C ATOM 747 NZ LYS A 93 11.219 -7.899 49.419 1.00 41.16 N ATOM 748 N CYS A 94 5.732 -2.775 47.665 1.00 12.03 N ATOM 749 CA CYS A 94 4.435 -2.104 47.703 1.00 11.39 C ATOM 750 C CYS A 94 3.976 -1.753 46.290 1.00 12.80 C ATOM 751 O CYS A 94 2.821 -2.028 45.866 1.00 13.39 O ATOM 752 CB CYS A 94 4.500 -0.917 48.662 1.00 9.66 C ATOM 753 SG CYS A 94 2.961 0.037 48.763 1.00 11.24 S ATOM 754 N ALA A 95 4.845 -1.194 45.454 1.00 12.68 N ATOM 755 CA ALA A 95 4.547 -0.864 44.074 1.00 12.90 C ATOM 756 C ALA A 95 4.044 -2.072 43.320 1.00 12.17 C ATOM 757 O ALA A 95 3.226 -1.910 42.425 1.00 13.33 O ATOM 758 CB ALA A 95 5.803 -0.346 43.352 1.00 10.76 C ATOM 759 N LYS A 96 4.538 -3.291 43.599 1.00 14.29 N ATOM 760 CA LYS A 96 4.020 -4.453 42.905 1.00 16.33 C ATOM 761 C LYS A 96 2.535 -4.672 43.203 1.00 17.83 C ATOM 762 O LYS A 96 1.774 -5.166 42.370 1.00 18.94 O ATOM 763 CB LYS A 96 4.756 -5.716 43.348 1.00 20.52 C ATOM 764 CG LYS A 96 5.954 -6.172 42.523 1.00 23.64 C ATOM 765 CD LYS A 96 6.463 -7.393 43.293 1.00 28.20 C ATOM 766 CE LYS A 96 7.508 -8.195 42.574 1.00 32.89 C ATOM 767 NZ LYS A 96 7.949 -9.387 43.388 1.00 34.25 N ATOM 768 N LYS A 97 2.098 -4.385 44.416 1.00 16.64 N ATOM 769 CA LYS A 97 0.722 -4.502 44.851 1.00 18.51 C ATOM 770 C LYS A 97 -0.128 -3.472 44.117 1.00 16.83 C ATOM 771 O LYS A 97 -1.182 -3.803 43.602 1.00 17.44 O ATOM 772 CB LYS A 97 0.711 -4.221 46.348 1.00 22.10 C ATOM 773 CG LYS A 97 -0.291 -4.898 47.223 1.00 31.05 C ATOM 774 CD LYS A 97 -1.672 -4.262 47.296 1.00 36.12 C ATOM 775 CE LYS A 97 -2.639 -5.228 48.005 1.00 40.32 C ATOM 776 NZ LYS A 97 -3.891 -4.570 48.461 1.00 41.14 N ATOM 777 N ILE A 98 0.387 -2.248 43.982 1.00 14.70 N ATOM 778 CA ILE A 98 -0.337 -1.181 43.315 1.00 15.12 C ATOM 779 C ILE A 98 -0.597 -1.468 41.835 1.00 18.17 C ATOM 780 O ILE A 98 -1.695 -1.326 41.248 1.00 16.97 O ATOM 781 CB ILE A 98 0.463 0.141 43.472 1.00 14.81 C ATOM 782 CG1 ILE A 98 0.565 0.493 44.951 1.00 13.78 C ATOM 783 CG2 ILE A 98 -0.134 1.255 42.603 1.00 15.02 C ATOM 784 CD1 ILE A 98 1.452 1.599 45.451 1.00 13.94 C ATOM 785 N ALA A 99 0.505 -1.843 41.170 1.00 17.55 N ATOM 786 CA ALA A 99 0.531 -2.197 39.761 1.00 18.65 C ATOM 787 C ALA A 99 -0.254 -3.472 39.516 1.00 17.36 C ATOM 788 O ALA A 99 -0.911 -3.592 38.492 1.00 18.61 O ATOM 789 CB ALA A 99 1.988 -2.448 39.328 1.00 18.86 C ATOM 790 N GLY A 100 -0.176 -4.454 40.391 1.00 17.83 N ATOM 791 CA GLY A 100 -0.962 -5.664 40.264 1.00 18.06 C ATOM 792 C GLY A 100 -2.449 -5.330 40.360 1.00 20.01 C ATOM 793 O GLY A 100 -3.197 -5.836 39.490 1.00 21.96 O ATOM 794 N GLU A 101 -2.932 -4.523 41.297 1.00 20.08 N ATOM 795 CA GLU A 101 -4.386 -4.237 41.291 1.00 23.10 C ATOM 796 C GLU A 101 -4.854 -3.433 40.090 1.00 24.84 C ATOM 797 O GLU A 101 -5.938 -3.719 39.529 1.00 25.89 O ATOM 798 CB GLU A 101 -4.828 -3.562 42.575 1.00 25.03 C ATOM 799 CG GLU A 101 -4.579 -4.526 43.758 1.00 29.64 C ATOM 800 CD GLU A 101 -4.990 -3.828 45.059 1.00 33.56 C ATOM 801 OE1 GLU A 101 -5.858 -2.891 45.053 1.00 31.68 O ATOM 802 OE2 GLU A 101 -4.345 -4.296 46.040 1.00 33.91 O ATOM 803 N ALA A 102 -4.044 -2.491 39.601 1.00 21.72 N ATOM 804 CA ALA A 102 -4.432 -1.737 38.415 1.00 21.66 C ATOM 805 C ALA A 102 -4.191 -2.424 37.077 1.00 21.57 C ATOM 806 O ALA A 102 -4.542 -1.975 35.985 1.00 23.23 O ATOM 807 CB ALA A 102 -3.545 -0.486 38.503 1.00 22.31 C ATOM 808 N LYS A 103 -3.478 -3.509 37.043 1.00 20.05 N ATOM 809 CA LYS A 103 -3.007 -4.282 35.920 1.00 22.64 C ATOM 810 C LYS A 103 -2.212 -3.334 34.983 1.00 20.97 C ATOM 811 O LYS A 103 -2.435 -3.246 33.780 1.00 20.20 O ATOM 812 CB LYS A 103 -4.048 -5.147 35.207 1.00 27.31 C ATOM 813 CG LYS A 103 -4.536 -6.405 35.950 1.00 28.63 C ATOM 814 CD ALYS A 103 -5.281 -7.387 35.058 0.50 25.74 C ATOM 815 CD BLYS A 103 -6.049 -6.518 35.857 0.50 31.71 C ATOM 816 CE ALYS A 103 -4.390 -8.466 34.479 0.50 25.39 C ATOM 817 CE BLYS A 103 -6.624 -6.625 34.468 0.50 32.81 C ATOM 818 NZ ALYS A 103 -4.533 -8.523 32.996 0.50 23.12 N ATOM 819 NZ BLYS A 103 -7.735 -5.628 34.230 0.50 36.24 N ATOM 820 N GLY A 104 -1.221 -2.639 35.578 1.00 17.84 N ATOM 821 CA GLY A 104 -0.473 -1.707 34.721 1.00 15.92 C ATOM 822 C GLY A 104 -0.030 -0.545 35.561 1.00 15.51 C ATOM 823 O GLY A 104 -0.225 -0.443 36.787 1.00 15.31 O ATOM 824 N LEU A 105 0.536 0.440 34.838 1.00 14.65 N ATOM 825 CA LEU A 105 1.155 1.579 35.477 1.00 14.18 C ATOM 826 C LEU A 105 0.306 2.815 35.508 1.00 13.97 C ATOM 827 O LEU A 105 0.746 3.868 35.971 1.00 13.29 O ATOM 828 CB LEU A 105 2.551 1.901 34.930 1.00 13.76 C ATOM 829 CG LEU A 105 3.770 1.036 35.169 1.00 12.25 C ATOM 830 CD1 LEU A 105 4.879 1.540 34.254 1.00 14.35 C ATOM 831 CD2 LEU A 105 4.275 1.077 36.599 1.00 11.88 C ATOM 832 N THR A 106 -1.014 2.626 35.324 1.00 16.38 N ATOM 833 CA THR A 106 -1.973 3.717 35.387 1.00 17.56 C ATOM 834 C THR A 106 -2.149 4.447 36.699 1.00 16.36 C ATOM 835 O THR A 106 -2.412 5.664 36.663 1.00 17.23 O ATOM 836 CB THR A 106 -3.343 3.351 34.747 1.00 20.65 C ATOM 837 OG1 THR A 106 -3.772 2.153 35.383 1.00 23.71 O ATOM 838 CG2 THR A 106 -3.219 3.169 33.246 1.00 19.38 C ATOM 839 N PRO A 107 -1.863 3.886 37.866 1.00 16.47 N ATOM 840 CA PRO A 107 -1.958 4.642 39.113 1.00 15.78 C ATOM 841 C PRO A 107 -1.008 5.830 39.130 1.00 16.13 C ATOM 842 O PRO A 107 -1.273 6.809 39.831 1.00 15.67 O ATOM 843 CB PRO A 107 -1.560 3.615 40.151 1.00 15.63 C ATOM 844 CG PRO A 107 -1.900 2.267 39.591 1.00 15.75 C ATOM 845 CD PRO A 107 -1.641 2.432 38.105 1.00 15.25 C ATOM 846 N TRP A 108 0.133 5.738 38.428 1.00 13.72 N ATOM 847 CA TRP A 108 1.129 6.791 38.426 1.00 15.36 C ATOM 848 C TRP A 108 0.829 7.791 37.319 1.00 16.31 C ATOM 849 O TRP A 108 1.108 7.471 36.176 1.00 16.25 O ATOM 850 CB TRP A 108 2.547 6.241 38.238 1.00 13.49 C ATOM 851 CG TRP A 108 3.009 5.453 39.434 1.00 12.10 C ATOM 852 CD1 TRP A 108 3.587 6.067 40.526 1.00 13.77 C ATOM 853 CD2 TRP A 108 2.910 4.091 39.749 1.00 12.14 C ATOM 854 NE1 TRP A 108 3.873 5.115 41.468 1.00 12.97 N ATOM 855 CE2 TRP A 108 3.457 3.899 41.046 1.00 12.50 C ATOM 856 CE3 TRP A 108 2.359 2.969 39.115 1.00 13.50 C ATOM 857 CZ2 TRP A 108 3.516 2.651 41.672 1.00 12.10 C ATOM 858 CZ3 TRP A 108 2.418 1.725 39.748 1.00 13.22 C ATOM 859 CH2 TRP A 108 3.028 1.577 41.009 1.00 11.08 C ATOM 860 N VAL A 109 0.347 8.970 37.699 1.00 18.85 N ATOM 861 CA VAL A 109 0.041 10.082 36.805 1.00 21.24 C ATOM 862 C VAL A 109 1.253 10.583 36.009 1.00 21.80 C ATOM 863 O VAL A 109 1.049 10.911 34.835 1.00 22.94 O ATOM 864 CB VAL A 109 -0.658 11.259 37.520 1.00 23.27 C ATOM 865 CG1 VAL A 109 0.220 12.102 38.410 1.00 26.33 C ATOM 866 CG2 VAL A 109 -1.114 12.238 36.454 1.00 26.33 C ATOM 867 N ALA A 110 2.492 10.568 36.530 1.00 21.55 N ATOM 868 CA ALA A 110 3.663 10.857 35.703 1.00 21.31 C ATOM 869 C ALA A 110 3.920 9.828 34.599 1.00 21.78 C ATOM 870 O ALA A 110 4.395 10.244 33.540 1.00 22.82 O ATOM 871 CB ALA A 110 4.902 10.832 36.588 1.00 20.53 C ATOM 872 N TRP A 111 3.679 8.518 34.783 1.00 20.93 N ATOM 873 CA TRP A 111 3.908 7.572 33.738 1.00 22.67 C ATOM 874 C TRP A 111 2.993 7.859 32.544 1.00 25.49 C ATOM 875 O TRP A 111 3.362 7.789 31.372 1.00 25.90 O ATOM 876 CB TRP A 111 3.647 6.125 34.158 1.00 23.89 C ATOM 877 CG TRP A 111 3.694 5.132 33.043 1.00 22.60 C ATOM 878 CD1 TRP A 111 4.831 4.519 32.582 1.00 24.56 C ATOM 879 CD2 TRP A 111 2.648 4.607 32.237 1.00 24.32 C ATOM 880 NE1 TRP A 111 4.564 3.651 31.551 1.00 21.85 N ATOM 881 CE2 TRP A 111 3.218 3.679 31.337 1.00 23.81 C ATOM 882 CE3 TRP A 111 1.263 4.842 32.195 1.00 25.51 C ATOM 883 CZ2 TRP A 111 2.487 2.985 30.371 1.00 25.63 C ATOM 884 CZ3 TRP A 111 0.541 4.155 31.229 1.00 27.11 C ATOM 885 CH2 TRP A 111 1.127 3.223 30.355 1.00 26.49 C ATOM 886 N LYS A 112 1.703 7.994 32.850 1.00 26.18 N ATOM 887 CA LYS A 112 0.721 8.313 31.823 1.00 27.83 C ATOM 888 C LYS A 112 1.160 9.591 31.092 1.00 28.15 C ATOM 889 O LYS A 112 1.372 9.616 29.882 1.00 30.32 O ATOM 890 CB LYS A 112 -0.634 8.564 32.507 1.00 30.22 C ATOM 891 CG LYS A 112 -1.280 7.329 33.157 1.00 35.20 C ATOM 892 CD LYS A 112 -1.847 7.813 34.482 1.00 38.83 C ATOM 893 CE LYS A 112 -3.322 7.566 34.675 1.00 40.72 C ATOM 894 NZ LYS A 112 -3.696 7.632 36.138 1.00 43.77 N ATOM 895 N SER A 113 1.389 10.697 31.798 1.00 27.11 N ATOM 896 CA SER A 113 1.683 11.957 31.137 1.00 26.69 C ATOM 897 C SER A 113 3.063 12.046 30.504 1.00 26.32 C ATOM 898 O SER A 113 3.205 12.736 29.501 1.00 26.26 O ATOM 899 CB SER A 113 1.418 13.140 32.078 1.00 26.84 C ATOM 900 OG ASER A 113 2.232 13.082 33.220 0.50 23.54 O ATOM 901 OG BSER A 113 0.567 12.787 33.159 0.50 27.10 O ATOM 902 N LYS A 114 4.096 11.432 31.043 1.00 25.02 N ATOM 903 CA LYS A 114 5.438 11.635 30.529 1.00 24.57 C ATOM 904 C LYS A 114 6.113 10.409 29.942 1.00 25.23 C ATOM 905 O LYS A 114 7.213 10.548 29.372 1.00 23.92 O ATOM 906 CB LYS A 114 6.280 12.183 31.692 1.00 22.93 C ATOM 907 CG LYS A 114 5.756 13.468 32.304 1.00 25.16 C ATOM 908 CD ALYS A 114 6.667 14.660 32.171 0.50 22.58 C ATOM 909 CD BLYS A 114 6.391 13.682 33.679 0.50 22.19 C ATOM 910 CE ALYS A 114 6.637 15.216 30.774 0.50 22.90 C ATOM 911 CE BLYS A 114 5.805 14.720 34.567 0.50 21.99 C ATOM 912 NZ ALYS A 114 7.903 15.947 30.482 0.50 26.56 N ATOM 913 NZ BLYS A 114 6.117 14.695 36.011 0.50 17.81 N ATOM 914 N CYS A 115 5.507 9.223 30.074 1.00 23.47 N ATOM 915 CA CYS A 115 6.105 8.010 29.594 1.00 23.32 C ATOM 916 C CYS A 115 5.244 7.303 28.556 1.00 27.20 C ATOM 917 O CYS A 115 5.902 6.806 27.629 1.00 27.82 O ATOM 918 CB CYS A 115 6.382 6.983 30.717 1.00 17.55 C ATOM 919 SG CYS A 115 7.375 7.721 32.014 1.00 16.14 S ATOM 920 N ARG A 116 3.929 7.216 28.808 1.00 28.72 N ATOM 921 CA ARG A 116 3.116 6.491 27.843 1.00 31.88 C ATOM 922 C ARG A 116 3.216 7.183 26.480 1.00 31.98 C ATOM 923 O ARG A 116 3.069 8.391 26.440 1.00 29.98 O ATOM 924 CB ARG A 116 1.671 6.316 28.272 1.00 37.53 C ATOM 925 CG ARG A 116 0.825 5.550 27.238 1.00 47.63 C ATOM 926 CD ARG A 116 -0.226 4.648 27.889 1.00 55.91 C ATOM 927 NE ARG A 116 -1.153 3.994 26.943 1.00 63.49 N ATOM 928 CZ ARG A 116 -0.974 2.768 26.403 1.00 67.60 C ATOM 929 NH1 ARG A 116 0.114 2.027 26.658 1.00 69.33 N ATOM 930 NH2 ARG A 116 -1.865 2.187 25.582 1.00 70.62 N ATOM 931 N GLY A 117 3.554 6.399 25.449 1.00 33.05 N ATOM 932 CA GLY A 117 3.706 6.859 24.079 1.00 35.53 C ATOM 933 C GLY A 117 4.938 7.706 23.756 1.00 36.27 C ATOM 934 O GLY A 117 5.095 8.237 22.646 1.00 37.49 O ATOM 935 N HIS A 118 5.886 7.895 24.677 1.00 33.99 N ATOM 936 CA HIS A 118 7.066 8.685 24.447 1.00 31.51 C ATOM 937 C HIS A 118 8.216 7.719 24.242 1.00 29.49 C ATOM 938 O HIS A 118 8.019 6.547 24.425 1.00 28.41 O ATOM 939 CB HIS A 118 7.381 9.602 25.623 1.00 34.66 C ATOM 940 CG HIS A 118 6.301 10.597 25.916 1.00 36.97 C ATOM 941 ND1 HIS A 118 5.288 10.355 26.804 1.00 38.13 N ATOM 942 CD2 HIS A 118 5.999 11.787 25.367 1.00 39.17 C ATOM 943 CE1 HIS A 118 4.439 11.347 26.863 1.00 39.10 C ATOM 944 NE2 HIS A 118 4.855 12.234 25.996 1.00 41.04 N ATOM 945 N ASP A 119 9.354 8.168 23.826 1.00 28.07 N ATOM 946 CA ASP A 119 10.553 7.361 23.621 1.00 29.60 C ATOM 947 C ASP A 119 11.109 6.868 24.940 1.00 28.26 C ATOM 948 O ASP A 119 11.193 7.741 25.830 1.00 31.54 O ATOM 949 CB ASP A 119 11.578 8.333 22.967 1.00 33.06 C ATOM 950 CG ASP A 119 12.937 7.690 22.878 1.00 33.59 C ATOM 951 OD1 ASP A 119 13.021 6.481 22.606 1.00 35.06 O ATOM 952 OD2 ASP A 119 13.921 8.411 23.140 1.00 39.34 O ATOM 953 N LEU A 120 11.559 5.667 25.168 1.00 25.20 N ATOM 954 CA LEU A 120 12.030 5.368 26.517 1.00 24.94 C ATOM 955 C LEU A 120 13.494 5.023 26.418 1.00 26.28 C ATOM 956 O LEU A 120 14.014 4.297 27.288 1.00 25.68 O ATOM 957 CB LEU A 120 11.248 4.153 26.982 1.00 25.84 C ATOM 958 CG LEU A 120 9.749 4.092 27.221 1.00 27.29 C ATOM 959 CD1 LEU A 120 9.351 2.743 27.839 1.00 28.61 C ATOM 960 CD2 LEU A 120 9.288 5.236 28.125 1.00 26.54 C ATOM 961 N SER A 121 14.129 5.439 25.287 1.00 26.54 N ATOM 962 CA SER A 121 15.508 4.943 25.104 1.00 27.14 C ATOM 963 C SER A 121 16.488 5.473 26.127 1.00 26.59 C ATOM 964 O SER A 121 17.434 4.767 26.493 1.00 24.75 O ATOM 965 CB SER A 121 15.961 5.023 23.654 1.00 30.12 C ATOM 966 OG SER A 121 15.540 6.244 23.092 1.00 35.52 O ATOM 967 N LYS A 122 16.173 6.621 26.728 1.00 27.33 N ATOM 968 CA LYS A 122 16.909 7.253 27.787 1.00 28.46 C ATOM 969 C LYS A 122 16.765 6.494 29.103 1.00 27.77 C ATOM 970 O LYS A 122 17.582 6.742 29.987 1.00 26.64 O ATOM 971 CB LYS A 122 16.351 8.662 28.032 1.00 36.19 C ATOM 972 CG LYS A 122 16.996 9.705 27.125 1.00 44.41 C ATOM 973 CD LYS A 122 17.445 10.983 27.868 1.00 50.24 C ATOM 974 CE LYS A 122 17.903 12.039 26.847 1.00 54.48 C ATOM 975 NZ LYS A 122 19.131 12.848 27.111 1.00 54.05 N ATOM 976 N PHE A 123 15.786 5.597 29.218 1.00 25.85 N ATOM 977 CA PHE A 123 15.522 4.859 30.449 1.00 25.26 C ATOM 978 C PHE A 123 15.845 3.385 30.441 1.00 26.58 C ATOM 979 O PHE A 123 15.462 2.632 31.354 1.00 25.80 O ATOM 980 CB PHE A 123 14.018 5.074 30.816 1.00 20.05 C ATOM 981 CG PHE A 123 13.723 6.549 30.998 1.00 17.27 C ATOM 982 CD1 PHE A 123 14.282 7.278 32.049 1.00 15.36 C ATOM 983 CD2 PHE A 123 12.909 7.199 30.110 1.00 17.80 C ATOM 984 CE1 PHE A 123 14.017 8.596 32.215 1.00 13.25 C ATOM 985 CE2 PHE A 123 12.640 8.560 30.290 1.00 16.25 C ATOM 986 CZ PHE A 123 13.197 9.277 31.324 1.00 15.64 C ATOM 987 N LYS A 124 16.603 2.893 29.465 1.00 28.30 N ATOM 988 CA LYS A 124 16.977 1.468 29.405 1.00 28.12 C ATOM 989 C LYS A 124 17.957 1.068 30.487 1.00 26.63 C ATOM 990 O LYS A 124 18.831 1.756 31.006 1.00 24.91 O ATOM 991 CB LYS A 124 17.490 1.269 27.990 1.00 34.44 C ATOM 992 CG LYS A 124 18.269 0.033 27.633 1.00 41.27 C ATOM 993 CD LYS A 124 19.171 0.257 26.395 1.00 46.45 C ATOM 994 CE LYS A 124 20.512 -0.448 26.581 1.00 48.86 C ATOM 995 NZ LYS A 124 20.539 -1.898 26.219 1.00 51.92 N ATOM 996 N CYS A 125 17.853 -0.175 30.914 1.00 27.48 N ATOM 997 CA CYS A 125 18.679 -0.834 31.902 1.00 29.35 C ATOM 998 C CYS A 125 19.845 -1.615 31.291 1.00 33.27 C ATOM 999 O CYS A 125 21.027 -1.299 31.601 1.00 35.24 O ATOM 1000 CB CYS A 125 17.821 -1.794 32.768 1.00 25.53 C ATOM 1001 SG CYS A 125 16.834 -0.797 33.937 1.00 20.34 S ATOM 1002 OXT CYS A 125 19.564 -2.580 30.533 1.00 36.74 O TER 1003 CYS A 125 HETATM 1004 CA CA A 126 12.309 1.933 51.867 1.00 16.22 CA HETATM 1005 O HOH A 127 8.398 4.942 47.057 1.00 11.40 O HETATM 1006 O HOH A 128 12.672 3.969 50.815 1.00 11.04 O HETATM 1007 O HOH A 129 -0.255 13.348 54.602 1.00 13.36 O HETATM 1008 O HOH A 130 12.893 0.400 53.830 1.00 17.20 O HETATM 1009 O HOH A 131 11.905 5.870 48.205 1.00 15.79 O HETATM 1010 O HOH A 132 -1.803 7.378 56.365 1.00 20.50 O HETATM 1011 O HOH A 133 -3.345 4.512 54.171 1.00 20.23 O HETATM 1012 O HOH A 134 -6.890 11.751 52.379 1.00 23.95 O HETATM 1013 O HOH A 135 0.253 5.677 45.109 1.00 18.53 O HETATM 1014 O HOH A 136 -3.329 17.215 44.911 1.00 16.35 O HETATM 1015 O HOH A 137 17.723 12.547 48.616 1.00 29.42 O HETATM 1016 O HOH A 138 17.257 -0.803 47.657 1.00 26.87 O HETATM 1017 O HOH A 139 18.012 8.804 33.936 1.00 20.48 O HETATM 1018 O HOH A 140 13.599 -2.065 52.501 1.00 27.86 O HETATM 1019 O HOH A 141 6.303 4.360 25.165 1.00 24.75 O HETATM 1020 O HOH A 142 6.224 -3.135 51.165 1.00 32.49 O HETATM 1021 O HOH A 143 -3.917 0.340 42.208 1.00 32.25 O HETATM 1022 O HOH A 144 -2.313 5.124 43.753 1.00 26.54 O HETATM 1023 O HOH A 145 4.074 -4.379 50.792 1.00 32.52 O HETATM 1024 O HOH A 146 -3.421 8.151 58.563 1.00 30.06 O HETATM 1025 O HOH A 147 11.539 3.571 23.131 1.00 32.90 O HETATM 1026 O HOH A 148 10.091 -2.411 55.803 1.00 24.43 O HETATM 1027 O HOH A 149 15.629 16.569 40.772 1.00 35.39 O HETATM 1028 O HOH A 150 12.275 -5.436 30.442 1.00 30.99 O HETATM 1029 O HOH A 151 10.041 -1.589 26.829 1.00 39.56 O HETATM 1030 O HOH A 152 -3.365 -0.098 34.496 1.00 25.67 O HETATM 1031 O HOH A 153 23.702 4.359 36.035 1.00 29.40 O HETATM 1032 O HOH A 154 13.143 14.757 43.863 1.00 33.39 O HETATM 1033 O HOH A 155 7.001 0.220 26.422 1.00 27.93 O HETATM 1034 O HOH A 156 18.035 5.205 54.974 1.00 43.84 O HETATM 1035 O HOH A 157 -2.399 -11.437 35.173 1.00 36.59 O HETATM 1036 O HOH A 158 20.314 -5.142 32.526 1.00 42.18 O HETATM 1037 O HOH A 159 22.194 11.452 47.022 1.00 32.68 O HETATM 1038 O HOH A 160 -3.545 -3.010 56.306 1.00 38.40 O HETATM 1039 O HOH A 161 15.757 15.975 48.593 1.00 37.79 O HETATM 1040 O HOH A 162 1.705 -13.712 31.493 1.00 33.37 O HETATM 1041 O HOH A 163 6.500 0.026 58.923 1.00 35.92 O HETATM 1042 O HOH A 164 15.090 -12.355 41.945 1.00 44.97 O HETATM 1043 O HOH A 165 0.480 5.515 42.499 1.00 30.39 O HETATM 1044 O HOH A 166 3.152 -11.197 35.389 1.00 40.96 O HETATM 1045 O HOH A 167 1.839 8.077 43.042 1.00 29.49 O HETATM 1046 O HOH A 168 0.968 -0.068 32.141 1.00 35.55 O HETATM 1047 O HOH A 169 14.374 -4.391 29.253 1.00 50.30 O HETATM 1048 O HOH A 170 13.780 -1.394 55.735 1.00 42.56 O HETATM 1049 O HOH A 171 5.070 15.482 27.245 1.00 44.80 O HETATM 1050 O HOH A 172 14.230 -12.872 39.686 1.00 33.53 O HETATM 1051 O HOH A 173 16.084 -2.290 29.636 1.00 35.90 O HETATM 1052 O HOH A 174 -2.784 -2.306 59.139 1.00 45.96 O HETATM 1053 O HOH A 175 -3.713 3.669 58.492 1.00 48.93 O HETATM 1054 O HOH A 176 -1.147 -11.661 31.526 1.00 40.83 O HETATM 1055 O HOH A 177 -3.297 -0.881 32.208 1.00 52.54 O HETATM 1056 O HOH A 178 8.229 -1.784 57.826 1.00 38.74 O HETATM 1057 O HOH A 179 15.512 -4.576 45.954 1.00 30.23 O HETATM 1058 O HOH A 180 19.476 9.337 51.762 1.00 40.40 O HETATM 1059 O HOH A 181 -5.881 -0.892 43.675 1.00 56.09 O HETATM 1060 O HOH A 182 16.577 8.489 52.117 1.00 31.78 O HETATM 1061 O HOH A 183 25.595 4.166 41.791 1.00 55.76 O HETATM 1062 O HOH A 184 6.821 -7.893 29.584 1.00 49.04 O HETATM 1063 O HOH A 185 4.916 11.048 21.957 1.00 42.70 O HETATM 1064 O HOH A 186 6.451 7.969 20.492 1.00 39.28 O HETATM 1065 O HOH A 187 -0.678 18.446 44.778 1.00 37.26 O HETATM 1066 O HOH A 188 9.400 11.120 23.213 1.00 49.04 O HETATM 1067 O HOH A 189 4.630 19.430 48.918 1.00 60.76 O HETATM 1068 O HOH A 190 13.376 3.723 58.144 1.00 55.36 O HETATM 1069 O HOH A 191 14.493 -11.115 36.660 1.00 56.14 O CONECT 75 1001 CONECT 246 919 CONECT 533 644 CONECT 616 753 CONECT 644 533 CONECT 654 1004 CONECT 682 1004 CONECT 695 1004 CONECT 721 1004 CONECT 729 1004 CONECT 753 616 CONECT 919 246 CONECT 1001 75 CONECT 1004 654 682 695 721 CONECT 1004 729 1006 1008 CONECT 1006 1004 CONECT 1008 1004 MASTER 267 0 1 7 2 0 4 6 1068 1 17 10 END