HEADER HYDROLASE (O-GLYCOSYL) 25-OCT-94 1LMP TITLE THE CRYSTAL STRUCTURES OF THREE COMPLEXES BETWEEN TITLE 2 CHITOOLIGOSACCHARIDES AND LYSOZYME FROM THE RAINBOW TROUT COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: MUCOPEPTIDE N-ACETYLMURAMYLHYDROLASE; COMPND 5 EC: 3.2.1.17 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ONCORHYNCHUS MYKISS; SOURCE 3 ORGANISM_COMMON: RAINBOW TROUT; SOURCE 4 ORGANISM_TAXID: 8022; SOURCE 5 ORGAN: KIDNEY KEYWDS HYDROLASE (O-GLYCOSYL) EXPDTA X-RAY DIFFRACTION AUTHOR S.KARLSEN,E.HOUGH REVDAT 3 13-JUL-11 1LMP 1 VERSN REVDAT 2 24-FEB-09 1LMP 1 VERSN REVDAT 1 01-JAN-96 1LMP 0 JRNL AUTH S.KARLSEN,E.HOUGH JRNL TITL CRYSTAL STRUCTURES OF THREE COMPLEXES BETWEEN JRNL TITL 2 CHITO-OLIGOSACCHARIDES AND LYSOZYME FROM THE RAINBOW TROUT. JRNL TITL 3 HOW DISTORTED IS THE NAG SUGAR IN SITE D? JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 51 962 1995 JRNL REFN ISSN 0907-4449 JRNL PMID 15299765 JRNL DOI 10.1107/S0907444995005105 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH S.KARLSEN,B.E.ELIASSEN,L.KR.HANSEN,R.L.LARSEN,B.W.RIISE, REMARK 1 AUTH 2 A.O.SMALAAS,E.HOUGH,B.GRINDE REMARK 1 TITL THE REFINED CRYSTAL STRUCTURE OF LYSOZYME FROM RAINBOW TROUT REMARK 1 TITL 2 (ONCORHYNCHUS MYKISS) REMARK 1 REF TO BE PUBLISHED REMARK 1 REFN REMARK 1 REFERENCE 2 REMARK 1 AUTH B.GRINDE,J.JOLLES,P.JOLLES REMARK 1 TITL PURIFICATION AND CHARACTERIZATION OF TWO LYSOZYMES FROM REMARK 1 TITL 2 RAINBOW TROUT (SALMO GAIRDNERI) REMARK 1 REF EUR.J.BIOCHEM. V. 173 269 1988 REMARK 1 REFN ISSN 0014-2956 REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PROLSQ REMARK 3 AUTHORS : KONNERT,HENDRICKSON REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 3.000 REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 12175 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) : 0.159 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 : 999 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 43 REMARK 3 SOLVENT ATOMS : 117 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) : 0.013 ; 0.020 REMARK 3 ANGLE DISTANCE (A) : 0.047 ; 0.040 REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.075 ; 0.050 REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : 0.013 ; 0.020 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.037 ; 0.060 REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : 0.183 ; 0.030 REMARK 3 MULTIPLE TORSION (A) : 0.185 ; 0.300 REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL REMARK 3 H-BOND (X-H...Y) (A) : 0.235 ; 0.300 REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : 5.200 ; 3.000 REMARK 3 STAGGERED (DEGREES) : 18.200; 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 1LMP COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 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 : AUG-93 REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : AREA DETECTOR REMARK 200 DETECTOR MANUFACTURER : ENRAF-NONIUS FAST REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MADNES REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 12175 REMARK 200 RESOLUTION RANGE HIGH (A) : NULL 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 (%) : 96.9 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : 0.03300 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 (%): 61.55 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.20 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 285 REMARK 285 THE ENTRY COORDINATES REMARK 285 ARE NOT PRESENTED IN THE STANDARD CRYSTAL FRAME. REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+2/3 REMARK 290 6555 -X,-X+Y,-Z+1/3 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 -0.500000 -0.866049 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866002 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 18.09627 REMARK 290 SMTRY1 3 -0.500000 0.866049 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866002 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 36.19254 REMARK 290 SMTRY1 4 0.500000 0.866049 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866002 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 0.500000 -0.866049 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866002 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 36.19254 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 6 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 18.09627 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: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O5 NAG A 131 O4 NDG A 132 2.11 REMARK 500 C1 NAG A 131 C4 NDG A 132 2.14 REMARK 500 OE1 GLU A 35 O HOH A 244 2.14 REMARK 500 NH1 ARG A 45 NH2 ARG A 68 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 143 O HOH A 143 4556 1.47 REMARK 500 O HOH A 170 O HOH A 170 4556 1.51 REMARK 500 O SER A 81 O HOH A 170 4556 2.01 REMARK 500 O HOH A 175 O HOH A 235 4556 2.17 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 ASP A 4 CB - CG - OD1 ANGL. DEV. = -6.3 DEGREES REMARK 500 ASP A 4 CB - CG - OD2 ANGL. DEV. = 5.7 DEGREES REMARK 500 ARG A 5 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES REMARK 500 ASP A 18 CB - CG - OD1 ANGL. DEV. = 6.0 DEGREES REMARK 500 ARG A 45 NE - CZ - NH2 ANGL. DEV. = -3.4 DEGREES REMARK 500 ASP A 48 CB - CG - OD1 ANGL. DEV. = 6.5 DEGREES REMARK 500 ASP A 48 CB - CG - OD2 ANGL. DEV. = -5.9 DEGREES REMARK 500 ARG A 61 NE - CZ - NH2 ANGL. DEV. = -3.5 DEGREES REMARK 500 TYR A 62 CB - CG - CD2 ANGL. DEV. = -4.7 DEGREES REMARK 500 ASP A 86 CB - CG - OD1 ANGL. DEV. = 9.2 DEGREES REMARK 500 ARG A 93 NE - CZ - NH2 ANGL. DEV. = -3.3 DEGREES REMARK 500 ARG A 97 NE - CZ - NH1 ANGL. DEV. = 5.1 DEGREES REMARK 500 ARG A 97 NE - CZ - NH2 ANGL. DEV. = -4.6 DEGREES REMARK 500 ARG A 121 CD - NE - CZ ANGL. DEV. = 10.2 DEGREES REMARK 500 ARG A 121 NE - CZ - NH1 ANGL. DEV. = 5.9 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 10 0.11 SIDE CHAIN REMARK 500 ARG A 45 0.09 SIDE CHAIN REMARK 500 ARG A 61 0.17 SIDE CHAIN REMARK 500 ARG A 79 0.13 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 214 DISTANCE = 8.17 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG A 130 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG A 131 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NDG A 132 DBREF 1LMP A 1 129 UNP P11941 LYC2_ONCMY 16 144 SEQADV 1LMP ASP A 86 UNP P11941 ALA 101 CONFLICT SEQRES 1 A 129 LYS VAL TYR ASP ARG CYS GLU LEU ALA ARG ALA LEU LYS SEQRES 2 A 129 ALA SER GLY MET ASP GLY TYR ALA GLY ASN SER LEU PRO SEQRES 3 A 129 ASN TRP VAL CYS LEU SER LYS TRP GLU SER SER TYR ASN SEQRES 4 A 129 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP SEQRES 5 A 129 TYR GLY ILE PHE GLN ILE ASN SER ARG TYR TRP CYS ASP SEQRES 6 A 129 ASP GLY ARG THR PRO GLY ALA LYS ASN VAL CYS GLY ILE SEQRES 7 A 129 ARG CYS SER GLN LEU LEU THR ASP ASP LEU THR VAL ALA SEQRES 8 A 129 ILE ARG CYS ALA LYS ARG VAL VAL LEU ASP PRO ASN GLY SEQRES 9 A 129 ILE GLY ALA TRP VAL ALA TRP ARG LEU HIS CYS GLN ASN SEQRES 10 A 129 GLN ASP LEU ARG SER TYR VAL ALA GLY CYS GLY VAL HET NAG A 130 14 HET NAG A 131 14 HET NDG A 132 15 HETNAM NAG N-ACETYL-D-GLUCOSAMINE HETNAM NDG 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE FORMUL 2 NAG 2(C8 H15 N O6) FORMUL 2 NDG C8 H15 N O6 FORMUL 3 HOH *117(H2 O) HELIX 1 1 ARG A 5 ALA A 14 1 10 HELIX 2 2 TYR A 20 GLY 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 LEU A 100 1 12 HELIX 6 6 GLY A 104 ALA A 107 5 4 HELIX 7 7 VAL A 109 HIS A 114 1 6 HELIX 8 8 ARG A 121 VAL A 124 1 4 SHEET 1 A 2 THR A 43 ARG 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 6 CYS A 127 1555 1555 2.00 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.01 SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.03 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.02 LINK C1 NAG A 130 O4 NAG A 131 1555 1555 1.39 LINK C1 NAG A 131 O4 NDG A 132 1555 1555 1.41 SITE 1 AC1 7 TRP A 63 ASP A 101 ASN A 103 NAG A 131 SITE 2 AC1 7 HOH A 152 HOH A 242 HOH A 245 SITE 1 AC2 9 ILE A 58 ASN A 59 TYR A 62 TRP A 63 SITE 2 AC2 9 ALA A 107 TRP A 108 NAG A 130 NDG A 132 SITE 3 AC2 9 HOH A 151 SITE 1 AC3 11 GLU A 35 ASN A 46 ASP A 52 GLN A 57 SITE 2 AC3 11 ASN A 59 TRP A 108 VAL A 109 NAG A 131 SITE 3 AC3 11 HOH A 149 HOH A 244 HOH A 249 CRYST1 76.420 76.420 54.290 90.00 90.00 120.00 P 31 2 1 6 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 0.015110 0.000000 0.000000 0.00000 SCALE2 0.007555 0.013086 0.000000 0.00000 SCALE3 0.000000 0.000000 0.018420 0.00000 ATOM 1 N LYS A 1 40.347 23.372 17.250 1.00 18.46 N ATOM 2 CA LYS A 1 40.073 23.407 15.807 1.00 15.65 C ATOM 3 C LYS A 1 40.596 24.629 15.115 1.00 17.93 C ATOM 4 O LYS A 1 40.458 25.714 15.693 1.00 14.83 O ATOM 5 CB LYS A 1 38.560 23.401 15.582 1.00 15.31 C ATOM 6 CG LYS A 1 38.032 23.710 14.177 1.00 19.38 C ATOM 7 CD LYS A 1 36.559 23.377 14.207 1.00 23.13 C ATOM 8 CE LYS A 1 35.670 23.601 13.032 1.00 26.45 C ATOM 9 NZ LYS A 1 36.120 22.779 11.894 1.00 23.20 N ATOM 10 N VAL A 2 41.125 24.494 13.923 1.00 15.30 N ATOM 11 CA VAL A 2 41.608 25.678 13.176 1.00 20.02 C ATOM 12 C VAL A 2 40.514 25.924 12.118 1.00 23.84 C ATOM 13 O VAL A 2 40.414 25.137 11.181 1.00 24.49 O ATOM 14 CB VAL A 2 43.013 25.575 12.573 1.00 20.68 C ATOM 15 CG1 VAL A 2 43.281 26.867 11.826 1.00 19.15 C ATOM 16 CG2 VAL A 2 44.049 25.168 13.622 1.00 10.67 C ATOM 17 N TYR A 3 39.710 26.949 12.315 1.00 23.36 N ATOM 18 CA TYR A 3 38.638 27.323 11.400 1.00 14.17 C ATOM 19 C TYR A 3 39.186 27.965 10.134 1.00 16.95 C ATOM 20 O TYR A 3 40.165 28.702 10.075 1.00 19.73 O ATOM 21 CB TYR A 3 37.632 28.347 11.995 1.00 12.31 C ATOM 22 CG TYR A 3 36.652 27.714 12.936 1.00 14.11 C ATOM 23 CD1 TYR A 3 36.982 27.245 14.192 1.00 13.59 C ATOM 24 CD2 TYR A 3 35.318 27.563 12.512 1.00 19.65 C ATOM 25 CE1 TYR A 3 36.048 26.639 15.053 1.00 14.59 C ATOM 26 CE2 TYR A 3 34.351 26.957 13.318 1.00 18.45 C ATOM 27 CZ TYR A 3 34.741 26.508 14.586 1.00 21.46 C ATOM 28 OH TYR A 3 33.842 25.916 15.417 1.00 22.23 O ATOM 29 N ASP A 4 38.472 27.746 9.078 1.00 20.20 N ATOM 30 CA ASP A 4 38.563 28.275 7.732 1.00 22.68 C ATOM 31 C ASP A 4 37.913 29.655 7.877 1.00 13.41 C ATOM 32 O ASP A 4 36.886 29.708 8.609 1.00 14.78 O ATOM 33 CB ASP A 4 37.881 27.335 6.714 1.00 22.82 C ATOM 34 CG ASP A 4 37.437 28.107 5.488 1.00 24.29 C ATOM 35 OD1 ASP A 4 38.372 28.271 4.674 1.00 44.94 O ATOM 36 OD2 ASP A 4 36.299 28.575 5.338 1.00 40.03 O ATOM 37 N ARG A 5 38.371 30.656 7.186 1.00 16.12 N ATOM 38 CA ARG A 5 37.790 31.993 7.264 1.00 22.57 C ATOM 39 C ARG A 5 36.286 32.052 7.017 1.00 27.39 C ATOM 40 O ARG A 5 35.604 32.681 7.857 1.00 18.92 O ATOM 41 CB ARG A 5 38.476 32.885 6.251 1.00 14.57 C ATOM 42 CG ARG A 5 37.915 34.299 6.177 1.00 21.83 C ATOM 43 CD ARG A 5 38.776 35.072 5.208 1.00 20.58 C ATOM 44 NE ARG A 5 38.632 34.614 3.827 1.00 26.09 N ATOM 45 CZ ARG A 5 37.680 34.895 2.939 1.00 24.62 C ATOM 46 NH1 ARG A 5 36.677 35.715 3.197 1.00 22.32 N ATOM 47 NH2 ARG A 5 37.762 34.300 1.752 1.00 23.40 N ATOM 48 N CYS A 6 35.764 31.444 5.964 1.00 22.68 N ATOM 49 CA CYS A 6 34.313 31.485 5.674 1.00 17.04 C ATOM 50 C CYS A 6 33.558 30.617 6.652 1.00 14.60 C ATOM 51 O CYS A 6 32.428 30.993 6.976 1.00 17.85 O ATOM 52 CB CYS A 6 34.031 31.115 4.209 1.00 20.63 C ATOM 53 SG CYS A 6 34.518 32.471 3.120 1.00 19.40 S ATOM 54 N GLU A 7 34.140 29.516 7.066 1.00 14.34 N ATOM 55 CA GLU A 7 33.509 28.647 8.067 1.00 15.91 C ATOM 56 C GLU A 7 33.279 29.378 9.374 1.00 13.36 C ATOM 57 O GLU A 7 32.186 29.245 9.998 1.00 13.77 O ATOM 58 CB GLU A 7 34.393 27.429 8.264 1.00 17.03 C ATOM 59 CG GLU A 7 33.909 26.462 9.310 1.00 14.95 C ATOM 60 CD GLU A 7 34.938 25.403 9.582 1.00 27.28 C ATOM 61 OE1 GLU A 7 36.114 25.543 9.367 1.00 21.35 O ATOM 62 OE2 GLU A 7 34.447 24.376 10.043 1.00 23.54 O ATOM 63 N LEU A 8 34.309 30.157 9.740 1.00 11.86 N ATOM 64 CA LEU A 8 34.180 31.000 10.946 1.00 11.28 C ATOM 65 C LEU A 8 33.104 32.053 10.689 1.00 12.97 C ATOM 66 O LEU A 8 32.245 32.277 11.530 1.00 16.68 O ATOM 67 CB LEU A 8 35.499 31.652 11.332 1.00 13.19 C ATOM 68 CG LEU A 8 35.466 32.531 12.586 1.00 19.14 C ATOM 69 CD1 LEU A 8 35.149 31.692 13.809 1.00 17.13 C ATOM 70 CD2 LEU A 8 36.834 33.255 12.661 1.00 15.84 C ATOM 71 N ALA A 9 33.162 32.719 9.530 1.00 14.21 N ATOM 72 CA ALA A 9 32.170 33.765 9.183 1.00 15.32 C ATOM 73 C ALA A 9 30.762 33.199 9.309 1.00 20.76 C ATOM 74 O ALA A 9 29.881 33.864 9.910 1.00 20.35 O ATOM 75 CB ALA A 9 32.493 34.365 7.812 1.00 12.21 C ATOM 76 N ARG A 10 30.481 32.006 8.808 1.00 13.12 N ATOM 77 CA ARG A 10 29.153 31.416 8.949 1.00 8.69 C ATOM 78 C ARG A 10 28.763 31.138 10.381 1.00 14.66 C ATOM 79 O ARG A 10 27.599 31.407 10.743 1.00 16.18 O ATOM 80 CB ARG A 10 29.136 30.134 8.077 1.00 11.95 C ATOM 81 CG ARG A 10 29.355 30.655 6.636 1.00 23.45 C ATOM 82 CD ARG A 10 28.976 29.728 5.541 1.00 44.55 C ATOM 83 NE ARG A 10 29.278 28.340 5.882 1.00 38.82 N ATOM 84 CZ ARG A 10 30.456 27.778 5.573 1.00 57.87 C ATOM 85 NH1 ARG A 10 31.203 28.272 4.585 1.00 24.69 N ATOM 86 NH2 ARG A 10 30.906 26.699 6.234 1.00 35.62 N ATOM 87 N ALA A 11 29.625 30.549 11.195 1.00 20.04 N ATOM 88 CA ALA A 11 29.349 30.250 12.599 1.00 15.30 C ATOM 89 C ALA A 11 29.102 31.554 13.370 1.00 20.91 C ATOM 90 O ALA A 11 28.197 31.569 14.233 1.00 16.15 O ATOM 91 CB ALA A 11 30.477 29.420 13.211 1.00 11.27 C ATOM 92 N LEU A 12 29.803 32.645 13.105 1.00 14.33 N ATOM 93 CA LEU A 12 29.576 33.923 13.793 1.00 17.22 C ATOM 94 C LEU A 12 28.223 34.539 13.409 1.00 12.82 C ATOM 95 O LEU A 12 27.460 35.053 14.245 1.00 17.90 O ATOM 96 CB LEU A 12 30.795 34.867 13.521 1.00 9.99 C ATOM 97 CG LEU A 12 32.162 34.437 14.075 1.00 19.97 C ATOM 98 CD1 LEU A 12 33.254 35.426 13.707 1.00 19.86 C ATOM 99 CD2 LEU A 12 31.992 34.260 15.594 1.00 16.73 C ATOM 100 N LYS A 13 27.986 34.515 12.104 1.00 13.83 N ATOM 101 CA LYS A 13 26.714 35.051 11.569 1.00 16.29 C ATOM 102 C LYS A 13 25.539 34.276 12.189 1.00 22.44 C ATOM 103 O LYS A 13 24.552 34.865 12.661 1.00 16.93 O ATOM 104 CB LYS A 13 26.691 35.014 10.060 1.00 23.15 C ATOM 105 CG LYS A 13 25.395 35.325 9.332 1.00 22.03 C ATOM 106 CD LYS A 13 24.829 36.685 9.661 1.00 36.34 C ATOM 107 CE LYS A 13 24.096 37.439 8.572 1.00 34.01 C ATOM 108 NZ LYS A 13 24.575 37.038 7.221 1.00 65.12 N ATOM 109 N ALA A 14 25.589 32.966 12.237 1.00 18.73 N ATOM 110 CA ALA A 14 24.597 32.046 12.784 1.00 23.65 C ATOM 111 C ALA A 14 24.386 32.312 14.258 1.00 17.69 C ATOM 112 O ALA A 14 23.274 32.069 14.748 1.00 23.46 O ATOM 113 CB ALA A 14 24.985 30.567 12.620 1.00 16.71 C ATOM 114 N SER A 15 25.385 32.787 14.978 1.00 18.66 N ATOM 115 CA SER A 15 25.349 33.048 16.428 1.00 19.35 C ATOM 116 C SER A 15 24.997 34.465 16.862 1.00 17.79 C ATOM 117 O SER A 15 25.132 34.714 18.068 1.00 25.00 O ATOM 118 CB SER A 15 26.716 32.737 17.060 1.00 24.47 C ATOM 119 OG SER A 15 26.830 31.324 17.030 1.00 37.07 O ATOM 120 N GLY A 16 24.613 35.294 15.937 1.00 19.45 N ATOM 121 CA GLY A 16 24.171 36.645 16.139 1.00 16.50 C ATOM 122 C GLY A 16 25.245 37.689 16.334 1.00 21.68 C ATOM 123 O GLY A 16 24.886 38.768 16.869 1.00 20.53 O ATOM 124 N MET A 17 26.450 37.345 15.882 1.00 21.90 N ATOM 125 CA MET A 17 27.580 38.317 16.009 1.00 13.23 C ATOM 126 C MET A 17 27.510 39.430 14.969 1.00 19.76 C ATOM 127 O MET A 17 28.146 40.472 15.200 1.00 21.08 O ATOM 128 CB MET A 17 28.972 37.683 15.921 1.00 10.50 C ATOM 129 CG MET A 17 29.098 36.642 17.044 1.00 17.31 C ATOM 130 SD MET A 17 29.255 37.555 18.582 1.00 30.13 S ATOM 131 CE MET A 17 31.007 37.771 18.782 1.00 29.67 C ATOM 132 N ASP A 18 26.786 39.296 13.862 1.00 22.04 N ATOM 133 CA ASP A 18 26.760 40.394 12.862 1.00 16.68 C ATOM 134 C ASP A 18 25.941 41.570 13.408 1.00 29.72 C ATOM 135 O ASP A 18 24.712 41.514 13.401 1.00 25.38 O ATOM 136 CB ASP A 18 26.312 39.826 11.519 1.00 18.74 C ATOM 137 CG ASP A 18 26.467 40.887 10.442 1.00 34.76 C ATOM 138 OD1 ASP A 18 27.194 41.890 10.546 1.00 22.73 O ATOM 139 OD2 ASP A 18 25.792 40.715 9.412 1.00 31.88 O ATOM 140 N GLY A 19 26.590 42.624 13.893 1.00 23.44 N ATOM 141 CA GLY A 19 25.904 43.794 14.434 1.00 20.18 C ATOM 142 C GLY A 19 25.820 43.776 15.950 1.00 19.60 C ATOM 143 O GLY A 19 25.195 44.714 16.480 1.00 26.69 O ATOM 144 N TYR A 20 26.417 42.782 16.613 1.00 16.96 N ATOM 145 CA TYR A 20 26.321 42.705 18.081 1.00 17.33 C ATOM 146 C TYR A 20 26.986 43.947 18.676 1.00 18.43 C ATOM 147 O TYR A 20 28.163 44.178 18.374 1.00 18.22 O ATOM 148 CB TYR A 20 26.917 41.397 18.650 1.00 12.58 C ATOM 149 CG TYR A 20 26.408 41.254 20.086 1.00 13.24 C ATOM 150 CD1 TYR A 20 25.175 40.690 20.346 1.00 17.66 C ATOM 151 CD2 TYR A 20 27.166 41.730 21.170 1.00 16.33 C ATOM 152 CE1 TYR A 20 24.699 40.597 21.650 1.00 20.69 C ATOM 153 CE2 TYR A 20 26.689 41.649 22.478 1.00 20.26 C ATOM 154 CZ TYR A 20 25.438 41.069 22.717 1.00 21.29 C ATOM 155 OH TYR A 20 24.950 40.954 23.982 1.00 27.09 O ATOM 156 N ALA A 21 26.261 44.702 19.474 1.00 21.02 N ATOM 157 CA ALA A 21 26.686 45.950 20.117 1.00 14.59 C ATOM 158 C ALA A 21 27.240 46.930 19.061 1.00 26.05 C ATOM 159 O ALA A 21 28.153 47.748 19.282 1.00 24.30 O ATOM 160 CB ALA A 21 27.671 45.637 21.231 1.00 20.86 C ATOM 161 N GLY A 22 26.662 46.842 17.862 1.00 19.35 N ATOM 162 CA GLY A 22 27.020 47.645 16.696 1.00 16.32 C ATOM 163 C GLY A 22 28.259 47.255 15.918 1.00 29.12 C ATOM 164 O GLY A 22 28.809 48.084 15.157 1.00 23.30 O ATOM 165 N ASN A 23 28.805 46.071 16.049 1.00 19.67 N ATOM 166 CA ASN A 23 30.014 45.558 15.400 1.00 19.85 C ATOM 167 C ASN A 23 29.665 44.587 14.284 1.00 18.50 C ATOM 168 O ASN A 23 29.251 43.444 14.598 1.00 20.81 O ATOM 169 CB ASN A 23 30.919 44.867 16.436 1.00 18.98 C ATOM 170 CG ASN A 23 31.326 45.880 17.500 1.00 23.62 C ATOM 171 OD1 ASN A 23 30.956 45.831 18.674 1.00 24.10 O ATOM 172 ND2 ASN A 23 32.050 46.845 17.011 1.00 18.56 N ATOM 173 N SER A 24 29.790 45.013 13.061 1.00 19.76 N ATOM 174 CA SER A 24 29.472 44.173 11.893 1.00 22.86 C ATOM 175 C SER A 24 30.412 42.971 11.865 1.00 17.74 C ATOM 176 O SER A 24 31.519 43.050 12.384 1.00 16.59 O ATOM 177 CB SER A 24 29.529 44.986 10.611 1.00 22.63 C ATOM 178 OG SER A 24 30.868 45.404 10.339 1.00 23.48 O ATOM 179 N LEU A 25 29.958 41.916 11.207 1.00 15.58 N ATOM 180 CA LEU A 25 30.677 40.656 11.075 1.00 15.40 C ATOM 181 C LEU A 25 32.137 40.746 10.685 1.00 15.36 C ATOM 182 O LEU A 25 32.948 40.026 11.316 1.00 15.67 O ATOM 183 CB LEU A 25 29.835 39.766 10.074 1.00 14.88 C ATOM 184 CG LEU A 25 30.298 38.309 9.963 1.00 18.70 C ATOM 185 CD1 LEU A 25 30.115 37.578 11.292 1.00 15.67 C ATOM 186 CD2 LEU A 25 29.516 37.603 8.847 1.00 17.13 C ATOM 187 N PRO A 26 32.489 41.532 9.691 1.00 21.37 N ATOM 188 CA PRO A 26 33.891 41.644 9.273 1.00 18.87 C ATOM 189 C PRO A 26 34.825 42.072 10.421 1.00 20.05 C ATOM 190 O PRO A 26 36.000 41.701 10.366 1.00 14.84 O ATOM 191 CB PRO A 26 33.918 42.587 8.067 1.00 22.73 C ATOM 192 CG PRO A 26 32.491 42.624 7.630 1.00 18.42 C ATOM 193 CD PRO A 26 31.637 42.406 8.871 1.00 16.61 C ATOM 194 N ASN A 27 34.361 42.789 11.425 1.00 17.22 N ATOM 195 CA ASN A 27 35.113 43.225 12.608 1.00 13.27 C ATOM 196 C ASN A 27 35.612 42.017 13.377 1.00 10.15 C ATOM 197 O ASN A 27 36.783 41.915 13.704 1.00 15.05 O ATOM 198 CB ASN A 27 34.267 44.154 13.516 1.00 13.80 C ATOM 199 CG ASN A 27 34.292 45.508 12.799 1.00 24.88 C ATOM 200 OD1 ASN A 27 35.341 46.185 12.812 1.00 20.38 O ATOM 201 ND2 ASN A 27 33.233 45.890 12.133 1.00 23.80 N ATOM 202 N TRP A 28 34.645 41.134 13.583 1.00 15.92 N ATOM 203 CA TRP A 28 34.826 39.856 14.319 1.00 13.94 C ATOM 204 C TRP A 28 35.707 38.864 13.572 1.00 15.40 C ATOM 205 O TRP A 28 36.507 38.214 14.259 1.00 14.86 O ATOM 206 CB TRP A 28 33.508 39.191 14.642 1.00 13.16 C ATOM 207 CG TRP A 28 32.568 40.049 15.428 1.00 16.33 C ATOM 208 CD1 TRP A 28 31.427 40.678 15.018 1.00 14.77 C ATOM 209 CD2 TRP A 28 32.716 40.356 16.822 1.00 17.90 C ATOM 210 NE1 TRP A 28 30.871 41.370 16.063 1.00 19.67 N ATOM 211 CE2 TRP A 28 31.627 41.183 17.179 1.00 23.79 C ATOM 212 CE3 TRP A 28 33.694 40.011 17.775 1.00 16.35 C ATOM 213 CZ2 TRP A 28 31.470 41.668 18.474 1.00 29.57 C ATOM 214 CZ3 TRP A 28 33.534 40.490 19.078 1.00 18.00 C ATOM 215 CH2 TRP A 28 32.440 41.298 19.402 1.00 15.42 C ATOM 216 N VAL A 29 35.602 38.711 12.277 1.00 18.40 N ATOM 217 CA VAL A 29 36.473 37.823 11.484 1.00 13.46 C ATOM 218 C VAL A 29 37.892 38.414 11.474 1.00 14.97 C ATOM 219 O VAL A 29 38.875 37.687 11.679 1.00 15.39 O ATOM 220 CB VAL A 29 35.959 37.565 10.059 1.00 13.48 C ATOM 221 CG1 VAL A 29 36.933 36.695 9.265 1.00 12.84 C ATOM 222 CG2 VAL A 29 34.572 36.988 10.064 1.00 14.46 C ATOM 223 N CYS A 30 38.046 39.718 11.277 1.00 16.14 N ATOM 224 CA CYS A 30 39.377 40.376 11.292 1.00 13.89 C ATOM 225 C CYS A 30 40.085 40.184 12.622 1.00 15.23 C ATOM 226 O CYS A 30 41.288 39.832 12.651 1.00 16.41 O ATOM 227 CB CYS A 30 39.242 41.866 10.918 1.00 13.86 C ATOM 228 SG CYS A 30 40.795 42.784 10.937 1.00 20.39 S ATOM 229 N LEU A 31 39.402 40.417 13.749 1.00 12.96 N ATOM 230 CA LEU A 31 40.128 40.282 15.041 1.00 21.55 C ATOM 231 C LEU A 31 40.475 38.819 15.310 1.00 13.97 C ATOM 232 O LEU A 31 41.505 38.618 15.958 1.00 17.80 O ATOM 233 CB LEU A 31 39.304 40.947 16.124 1.00 21.46 C ATOM 234 CG LEU A 31 38.278 40.339 17.013 1.00 22.89 C ATOM 235 CD1 LEU A 31 38.722 39.323 18.065 1.00 18.01 C ATOM 236 CD2 LEU A 31 37.651 41.536 17.793 1.00 21.95 C ATOM 237 N SER A 32 39.636 37.868 14.912 1.00 15.12 N ATOM 238 CA SER A 32 39.915 36.429 15.124 1.00 17.16 C ATOM 239 C SER A 32 41.193 36.016 14.356 1.00 17.69 C ATOM 240 O SER A 32 42.112 35.329 14.817 1.00 17.21 O ATOM 241 CB SER A 32 38.757 35.529 14.716 1.00 12.42 C ATOM 242 OG SER A 32 37.600 35.769 15.445 1.00 16.87 O ATOM 243 N LYS A 33 41.291 36.470 13.102 1.00 14.38 N ATOM 244 CA LYS A 33 42.453 36.248 12.248 1.00 14.46 C ATOM 245 C LYS A 33 43.766 36.775 12.869 1.00 20.46 C ATOM 246 O LYS A 33 44.753 36.017 12.934 1.00 17.19 O ATOM 247 CB LYS A 33 42.260 36.887 10.867 1.00 18.49 C ATOM 248 CG LYS A 33 43.344 36.335 9.919 1.00 24.81 C ATOM 249 CD LYS A 33 44.289 37.439 9.529 1.00 33.05 C ATOM 250 CE LYS A 33 45.099 36.975 8.318 1.00 57.02 C ATOM 251 NZ LYS A 33 46.537 37.178 8.664 1.00 45.77 N ATOM 252 N TRP A 34 43.782 38.025 13.337 1.00 14.53 N ATOM 253 CA TRP A 34 44.982 38.645 13.905 1.00 13.49 C ATOM 254 C TRP A 34 45.275 38.153 15.305 1.00 22.95 C ATOM 255 O TRP A 34 46.476 38.084 15.608 1.00 30.70 O ATOM 256 CB TRP A 34 44.866 40.177 13.897 1.00 16.57 C ATOM 257 CG TRP A 34 44.824 40.583 12.464 1.00 13.87 C ATOM 258 CD1 TRP A 34 43.807 40.959 11.633 1.00 17.30 C ATOM 259 CD2 TRP A 34 46.006 40.573 11.652 1.00 19.89 C ATOM 260 NE1 TRP A 34 44.279 41.210 10.370 1.00 23.40 N ATOM 261 CE2 TRP A 34 45.618 40.988 10.350 1.00 18.07 C ATOM 262 CE3 TRP A 34 47.355 40.296 11.938 1.00 26.52 C ATOM 263 CZ2 TRP A 34 46.583 41.111 9.356 1.00 37.31 C ATOM 264 CZ3 TRP A 34 48.282 40.404 10.924 1.00 40.23 C ATOM 265 CH2 TRP A 34 47.903 40.805 9.651 1.00 34.72 C ATOM 266 N GLU A 35 44.254 37.863 16.083 1.00 17.64 N ATOM 267 CA GLU A 35 44.448 37.386 17.454 1.00 18.73 C ATOM 268 C GLU A 35 44.900 35.935 17.527 1.00 18.86 C ATOM 269 O GLU A 35 45.832 35.632 18.288 1.00 17.23 O ATOM 270 CB GLU A 35 43.166 37.507 18.299 1.00 13.16 C ATOM 271 CG GLU A 35 42.684 38.876 18.761 1.00 15.09 C ATOM 272 CD GLU A 35 43.588 39.517 19.796 1.00 22.23 C ATOM 273 OE1 GLU A 35 44.603 39.018 20.255 1.00 20.04 O ATOM 274 OE2 GLU A 35 43.200 40.623 20.176 1.00 20.77 O ATOM 275 N SER A 36 44.294 35.013 16.812 1.00 17.58 N ATOM 276 CA SER A 36 44.642 33.607 16.930 1.00 17.66 C ATOM 277 C SER A 36 44.899 32.835 15.659 1.00 19.50 C ATOM 278 O SER A 36 45.165 31.628 15.792 1.00 18.49 O ATOM 279 CB SER A 36 43.423 32.949 17.624 1.00 15.60 C ATOM 280 OG SER A 36 42.374 33.081 16.675 1.00 13.21 O ATOM 281 N SER A 37 44.785 33.468 14.515 1.00 16.77 N ATOM 282 CA SER A 37 44.898 32.801 13.212 1.00 15.41 C ATOM 283 C SER A 37 43.795 31.755 13.111 1.00 20.35 C ATOM 284 O SER A 37 44.009 30.659 12.572 1.00 18.87 O ATOM 285 CB SER A 37 46.230 32.113 12.958 1.00 32.23 C ATOM 286 OG SER A 37 47.257 32.995 13.284 1.00 29.24 O ATOM 287 N TYR A 38 42.663 32.076 13.724 1.00 17.05 N ATOM 288 CA TYR A 38 41.504 31.191 13.727 1.00 18.35 C ATOM 289 C TYR A 38 41.620 29.864 14.475 1.00 18.07 C ATOM 290 O TYR A 38 40.879 28.907 14.193 1.00 12.36 O ATOM 291 CB TYR A 38 41.182 30.857 12.263 1.00 16.26 C ATOM 292 CG TYR A 38 40.986 32.038 11.360 1.00 15.65 C ATOM 293 CD1 TYR A 38 40.052 33.024 11.624 1.00 23.28 C ATOM 294 CD2 TYR A 38 41.761 32.157 10.202 1.00 19.32 C ATOM 295 CE1 TYR A 38 39.872 34.117 10.769 1.00 14.60 C ATOM 296 CE2 TYR A 38 41.556 33.211 9.318 1.00 24.47 C ATOM 297 CZ TYR A 38 40.616 34.187 9.599 1.00 22.07 C ATOM 298 OH TYR A 38 40.411 35.217 8.725 1.00 24.28 O ATOM 299 N ASN A 39 42.532 29.801 15.413 1.00 15.97 N ATOM 300 CA ASN A 39 42.740 28.550 16.162 1.00 13.21 C ATOM 301 C ASN A 39 42.063 28.674 17.523 1.00 14.83 C ATOM 302 O ASN A 39 42.483 29.550 18.309 1.00 14.96 O ATOM 303 CB ASN A 39 44.261 28.256 16.158 1.00 15.35 C ATOM 304 CG ASN A 39 44.628 26.954 16.890 1.00 12.41 C ATOM 305 OD1 ASN A 39 43.892 26.058 17.247 1.00 18.02 O ATOM 306 ND2 ASN A 39 45.929 26.806 17.158 1.00 15.84 N ATOM 307 N THR A 40 41.074 27.844 17.810 1.00 14.00 N ATOM 308 CA THR A 40 40.384 27.810 19.108 1.00 18.17 C ATOM 309 C THR A 40 41.318 27.410 20.244 1.00 15.60 C ATOM 310 O THR A 40 41.082 27.776 21.398 1.00 15.54 O ATOM 311 CB THR A 40 39.113 26.863 19.084 1.00 17.38 C ATOM 312 OG1 THR A 40 39.595 25.495 18.994 1.00 13.72 O ATOM 313 CG2 THR A 40 38.161 27.266 17.955 1.00 12.13 C ATOM 314 N GLN A 41 42.425 26.721 19.985 1.00 17.45 N ATOM 315 CA GLN A 41 43.386 26.265 20.968 1.00 13.17 C ATOM 316 C GLN A 41 44.540 27.213 21.234 1.00 22.87 C ATOM 317 O GLN A 41 45.482 26.823 21.961 1.00 24.42 O ATOM 318 CB GLN A 41 44.010 24.905 20.541 1.00 12.53 C ATOM 319 CG GLN A 41 42.898 23.865 20.441 1.00 17.23 C ATOM 320 CD GLN A 41 43.367 22.421 20.495 1.00 13.61 C ATOM 321 OE1 GLN A 41 43.458 21.752 19.461 1.00 22.26 O ATOM 322 NE2 GLN A 41 43.696 22.001 21.710 1.00 16.79 N ATOM 323 N ALA A 42 44.487 28.381 20.640 1.00 14.34 N ATOM 324 CA ALA A 42 45.597 29.312 20.879 1.00 18.27 C ATOM 325 C ALA A 42 45.657 29.805 22.325 1.00 22.28 C ATOM 326 O ALA A 42 44.649 30.163 22.947 1.00 15.13 O ATOM 327 CB ALA A 42 45.490 30.492 19.914 1.00 17.94 C ATOM 328 N THR A 43 46.872 29.867 22.870 1.00 17.78 N ATOM 329 CA THR A 43 47.132 30.407 24.214 1.00 26.75 C ATOM 330 C THR A 43 48.398 31.281 24.131 1.00 22.42 C ATOM 331 O THR A 43 49.319 31.066 23.358 1.00 23.75 O ATOM 332 CB THR A 43 47.229 29.363 25.388 1.00 25.09 C ATOM 333 OG1 THR A 43 48.343 28.493 25.035 1.00 21.09 O ATOM 334 CG2 THR A 43 45.931 28.597 25.626 1.00 11.74 C ATOM 335 N ASN A 44 48.417 32.336 24.899 1.00 15.73 N ATOM 336 CA ASN A 44 49.524 33.298 24.959 1.00 17.41 C ATOM 337 C ASN A 44 49.635 33.837 26.382 1.00 22.79 C ATOM 338 O ASN A 44 48.708 34.479 26.902 1.00 19.97 O ATOM 339 CB ASN A 44 49.320 34.372 23.887 1.00 23.51 C ATOM 340 CG ASN A 44 50.396 35.452 23.938 1.00 47.13 C ATOM 341 OD1 ASN A 44 51.524 35.245 23.437 1.00 53.30 O ATOM 342 ND2 ASN A 44 50.077 36.597 24.559 1.00 46.80 N ATOM 343 N ARG A 45 50.748 33.557 27.024 1.00 18.97 N ATOM 344 CA ARG A 45 50.983 34.022 28.397 1.00 15.52 C ATOM 345 C ARG A 45 51.507 35.442 28.411 1.00 26.35 C ATOM 346 O ARG A 45 52.357 35.790 27.568 1.00 28.65 O ATOM 347 CB ARG A 45 51.958 33.079 29.109 1.00 24.05 C ATOM 348 CG ARG A 45 52.139 33.583 30.535 1.00 43.45 C ATOM 349 CD ARG A 45 51.436 32.875 31.615 1.00 34.96 C ATOM 350 NE ARG A 45 52.263 31.752 32.079 1.00 73.13 N ATOM 351 CZ ARG A 45 52.319 30.619 31.355 1.00 79.93 C ATOM 352 NH1 ARG A 45 51.394 30.364 30.416 1.00 58.80 N ATOM 353 NH2 ARG A 45 53.327 29.787 31.613 1.00 53.52 N ATOM 354 N ASN A 46 51.039 36.257 29.335 1.00 28.72 N ATOM 355 CA ASN A 46 51.522 37.653 29.431 1.00 31.17 C ATOM 356 C ASN A 46 52.478 37.797 30.621 1.00 34.85 C ATOM 357 O ASN A 46 52.546 36.929 31.508 1.00 30.02 O ATOM 358 CB ASN A 46 50.344 38.607 29.500 1.00 20.09 C ATOM 359 CG ASN A 46 49.591 38.619 28.175 1.00 23.38 C ATOM 360 OD1 ASN A 46 48.408 38.263 28.170 1.00 36.10 O ATOM 361 ND2 ASN A 46 50.177 38.963 27.043 1.00 33.99 N ATOM 362 N THR A 47 53.164 38.919 30.590 1.00 36.86 N ATOM 363 CA THR A 47 54.153 39.356 31.579 1.00 37.27 C ATOM 364 C THR A 47 53.601 39.489 32.991 1.00 33.48 C ATOM 365 O THR A 47 54.243 39.229 34.004 1.00 46.09 O ATOM 366 CB THR A 47 54.804 40.756 31.230 1.00 52.01 C ATOM 367 OG1 THR A 47 53.721 41.711 31.514 1.00 69.50 O ATOM 368 CG2 THR A 47 55.362 40.834 29.816 1.00 39.44 C ATOM 369 N ASP A 48 52.360 39.919 33.004 1.00 29.16 N ATOM 370 CA ASP A 48 51.535 40.122 34.209 1.00 29.86 C ATOM 371 C ASP A 48 50.944 38.851 34.842 1.00 32.96 C ATOM 372 O ASP A 48 50.176 38.986 35.837 1.00 34.15 O ATOM 373 CB ASP A 48 50.436 41.146 33.837 1.00 26.05 C ATOM 374 CG ASP A 48 49.319 40.537 33.009 1.00 47.30 C ATOM 375 OD1 ASP A 48 49.355 39.402 32.489 1.00 32.41 O ATOM 376 OD2 ASP A 48 48.322 41.290 32.925 1.00 58.64 O ATOM 377 N GLY A 49 51.226 37.670 34.308 1.00 22.78 N ATOM 378 CA GLY A 49 50.720 36.424 34.892 1.00 30.15 C ATOM 379 C GLY A 49 49.424 35.938 34.256 1.00 20.20 C ATOM 380 O GLY A 49 49.012 34.791 34.547 1.00 25.53 O ATOM 381 N SER A 50 48.861 36.800 33.431 1.00 21.62 N ATOM 382 CA SER A 50 47.602 36.385 32.763 1.00 21.86 C ATOM 383 C SER A 50 47.954 35.684 31.436 1.00 19.00 C ATOM 384 O SER A 50 49.070 35.702 30.931 1.00 19.44 O ATOM 385 CB SER A 50 46.643 37.538 32.551 1.00 14.68 C ATOM 386 OG SER A 50 47.225 38.400 31.584 1.00 18.76 O ATOM 387 N THR A 51 46.914 35.020 30.926 1.00 19.33 N ATOM 388 CA THR A 51 46.971 34.274 29.669 1.00 16.55 C ATOM 389 C THR A 51 45.771 34.623 28.807 1.00 16.93 C ATOM 390 O THR A 51 44.697 34.813 29.414 1.00 15.79 O ATOM 391 CB THR A 51 47.110 32.719 29.952 1.00 18.65 C ATOM 392 OG1 THR A 51 48.310 32.615 30.799 1.00 22.61 O ATOM 393 CG2 THR A 51 47.191 31.792 28.724 1.00 11.90 C ATOM 394 N ASP A 52 45.988 34.678 27.502 1.00 17.35 N ATOM 395 CA ASP A 52 44.945 34.918 26.490 1.00 20.57 C ATOM 396 C ASP A 52 44.541 33.540 25.940 1.00 17.31 C ATOM 397 O ASP A 52 45.384 32.712 25.653 1.00 18.51 O ATOM 398 CB ASP A 52 45.354 35.888 25.391 1.00 17.67 C ATOM 399 CG ASP A 52 45.777 37.237 25.989 1.00 25.71 C ATOM 400 OD1 ASP A 52 45.196 37.738 26.966 1.00 21.10 O ATOM 401 OD2 ASP A 52 46.720 37.793 25.423 1.00 25.65 O ATOM 402 N TYR A 53 43.221 33.325 25.829 1.00 12.97 N ATOM 403 CA TYR A 53 42.615 32.057 25.428 1.00 16.88 C ATOM 404 C TYR A 53 41.650 32.046 24.260 1.00 15.87 C ATOM 405 O TYR A 53 40.691 32.832 24.229 1.00 15.49 O ATOM 406 CB TYR A 53 41.788 31.462 26.620 1.00 13.26 C ATOM 407 CG TYR A 53 42.659 31.119 27.812 1.00 17.67 C ATOM 408 CD1 TYR A 53 42.975 32.051 28.803 1.00 13.92 C ATOM 409 CD2 TYR A 53 43.176 29.822 27.926 1.00 24.83 C ATOM 410 CE1 TYR A 53 43.766 31.706 29.893 1.00 10.61 C ATOM 411 CE2 TYR A 53 43.968 29.449 29.013 1.00 21.03 C ATOM 412 CZ TYR A 53 44.277 30.423 29.990 1.00 21.61 C ATOM 413 OH TYR A 53 45.084 30.097 31.042 1.00 17.14 O ATOM 414 N GLY A 54 41.899 31.077 23.380 1.00 11.91 N ATOM 415 CA GLY A 54 41.025 30.803 22.269 1.00 12.37 C ATOM 416 C GLY A 54 41.092 31.669 21.049 1.00 18.38 C ATOM 417 O GLY A 54 42.036 32.428 20.856 1.00 12.89 O ATOM 418 N ILE A 55 40.067 31.483 20.228 1.00 17.64 N ATOM 419 CA ILE A 55 39.973 32.201 18.939 1.00 14.29 C ATOM 420 C ILE A 55 39.994 33.722 19.101 1.00 21.77 C ATOM 421 O ILE A 55 40.509 34.406 18.225 1.00 18.01 O ATOM 422 CB ILE A 55 38.725 31.630 18.132 1.00 13.85 C ATOM 423 CG1 ILE A 55 39.064 31.779 16.634 1.00 14.21 C ATOM 424 CG2 ILE A 55 37.368 32.271 18.514 1.00 10.77 C ATOM 425 CD1 ILE A 55 38.253 30.831 15.682 1.00 15.40 C ATOM 426 N PHE A 56 39.391 34.258 20.144 1.00 14.78 N ATOM 427 CA PHE A 56 39.284 35.685 20.475 1.00 18.37 C ATOM 428 C PHE A 56 40.338 36.136 21.500 1.00 21.80 C ATOM 429 O PHE A 56 40.342 37.310 21.917 1.00 19.12 O ATOM 430 CB PHE A 56 37.890 36.066 21.024 1.00 12.10 C ATOM 431 CG PHE A 56 36.745 35.656 20.148 1.00 22.21 C ATOM 432 CD1 PHE A 56 36.714 36.045 18.795 1.00 24.31 C ATOM 433 CD2 PHE A 56 35.737 34.878 20.687 1.00 15.11 C ATOM 434 CE1 PHE A 56 35.628 35.649 17.987 1.00 22.11 C ATOM 435 CE2 PHE A 56 34.648 34.473 19.891 1.00 18.01 C ATOM 436 CZ PHE A 56 34.606 34.852 18.558 1.00 15.95 C ATOM 437 N GLN A 57 41.185 35.198 21.917 1.00 12.00 N ATOM 438 CA GLN A 57 42.249 35.500 22.872 1.00 18.97 C ATOM 439 C GLN A 57 41.713 36.303 24.058 1.00 19.57 C ATOM 440 O GLN A 57 42.237 37.390 24.353 1.00 18.20 O ATOM 441 CB GLN A 57 43.430 36.212 22.161 1.00 13.60 C ATOM 442 CG GLN A 57 44.125 35.302 21.156 1.00 9.93 C ATOM 443 CD GLN A 57 45.008 34.347 21.916 1.00 15.19 C ATOM 444 OE1 GLN A 57 46.023 34.727 22.432 1.00 15.17 O ATOM 445 NE2 GLN A 57 44.558 33.107 22.033 1.00 17.43 N ATOM 446 N ILE A 58 40.686 35.751 24.700 1.00 13.37 N ATOM 447 CA ILE A 58 40.144 36.411 25.920 1.00 14.37 C ATOM 448 C ILE A 58 41.105 36.257 27.096 1.00 14.99 C ATOM 449 O ILE A 58 41.641 35.190 27.428 1.00 12.78 O ATOM 450 CB ILE A 58 38.691 35.875 26.119 1.00 19.24 C ATOM 451 CG1 ILE A 58 37.841 36.509 24.972 1.00 22.89 C ATOM 452 CG2 ILE A 58 38.183 36.134 27.563 1.00 13.90 C ATOM 453 CD1 ILE A 58 36.476 35.836 24.753 1.00 23.01 C ATOM 454 N ASN A 59 41.363 37.350 27.818 1.00 17.25 N ATOM 455 CA ASN A 59 42.310 37.460 28.933 1.00 17.24 C ATOM 456 C ASN A 59 41.790 36.983 30.277 1.00 14.54 C ATOM 457 O ASN A 59 40.668 37.301 30.690 1.00 16.35 O ATOM 458 CB ASN A 59 42.757 38.929 28.982 1.00 22.14 C ATOM 459 CG ASN A 59 43.899 39.067 29.987 1.00 25.20 C ATOM 460 OD1 ASN A 59 43.684 39.424 31.168 1.00 23.44 O ATOM 461 ND2 ASN A 59 45.082 38.754 29.464 1.00 16.47 N ATOM 462 N SER A 60 42.639 36.226 30.992 1.00 15.55 N ATOM 463 CA SER A 60 42.308 35.610 32.294 1.00 16.24 C ATOM 464 C SER A 60 42.332 36.537 33.513 1.00 17.55 C ATOM 465 O SER A 60 41.913 36.094 34.591 1.00 18.30 O ATOM 466 CB SER A 60 43.243 34.442 32.609 1.00 12.14 C ATOM 467 OG SER A 60 44.609 34.782 32.675 1.00 15.60 O ATOM 468 N ARG A 61 42.804 37.766 33.334 1.00 25.85 N ATOM 469 CA ARG A 61 42.773 38.704 34.457 1.00 25.69 C ATOM 470 C ARG A 61 41.364 39.194 34.786 1.00 22.93 C ATOM 471 O ARG A 61 40.991 39.448 35.945 1.00 24.66 O ATOM 472 CB ARG A 61 43.632 39.927 34.174 1.00 27.65 C ATOM 473 CG ARG A 61 43.685 40.644 35.544 1.00 31.27 C ATOM 474 CD ARG A 61 45.128 41.010 35.711 1.00 49.54 C ATOM 475 NE ARG A 61 45.200 42.466 35.733 1.00 59.79 N ATOM 476 CZ ARG A 61 44.922 43.171 36.845 1.00 81.11 C ATOM 477 NH1 ARG A 61 43.993 42.792 37.726 1.00 76.32 N ATOM 478 NH2 ARG A 61 45.639 44.284 37.049 1.00 79.91 N ATOM 479 N TYR A 62 40.551 39.343 33.728 1.00 22.63 N ATOM 480 CA TYR A 62 39.170 39.797 33.914 1.00 24.66 C ATOM 481 C TYR A 62 38.033 38.870 33.554 1.00 18.51 C ATOM 482 O TYR A 62 36.947 38.969 34.188 1.00 19.76 O ATOM 483 CB TYR A 62 38.874 41.062 33.035 1.00 25.26 C ATOM 484 CG TYR A 62 39.816 42.174 33.438 1.00 34.67 C ATOM 485 CD1 TYR A 62 39.602 43.023 34.517 1.00 40.78 C ATOM 486 CD2 TYR A 62 40.986 42.306 32.675 1.00 32.42 C ATOM 487 CE1 TYR A 62 40.548 44.005 34.851 1.00 40.18 C ATOM 488 CE2 TYR A 62 41.923 43.288 33.008 1.00 46.53 C ATOM 489 CZ TYR A 62 41.706 44.146 34.093 1.00 41.63 C ATOM 490 OH TYR A 62 42.657 45.116 34.369 1.00 72.23 O ATOM 491 N TRP A 63 38.248 38.046 32.522 1.00 17.37 N ATOM 492 CA TRP A 63 37.065 37.302 32.025 1.00 14.97 C ATOM 493 C TRP A 63 36.910 35.852 32.362 1.00 17.83 C ATOM 494 O TRP A 63 35.720 35.480 32.312 1.00 13.57 O ATOM 495 CB TRP A 63 37.081 37.498 30.458 1.00 12.63 C ATOM 496 CG TRP A 63 37.269 38.942 30.049 1.00 18.40 C ATOM 497 CD1 TRP A 63 38.348 39.582 29.515 1.00 14.00 C ATOM 498 CD2 TRP A 63 36.232 39.937 30.189 1.00 13.65 C ATOM 499 NE1 TRP A 63 38.047 40.907 29.322 1.00 14.56 N ATOM 500 CE2 TRP A 63 36.760 41.150 29.724 1.00 14.69 C ATOM 501 CE3 TRP A 63 34.919 39.912 30.687 1.00 21.13 C ATOM 502 CZ2 TRP A 63 36.014 42.331 29.733 1.00 16.09 C ATOM 503 CZ3 TRP A 63 34.187 41.080 30.677 1.00 20.95 C ATOM 504 CH2 TRP A 63 34.714 42.280 30.200 1.00 13.33 C ATOM 505 N CYS A 64 37.937 35.078 32.614 1.00 17.33 N ATOM 506 CA CYS A 64 37.707 33.638 32.860 1.00 18.36 C ATOM 507 C CYS A 64 38.643 33.203 33.975 1.00 15.69 C ATOM 508 O CYS A 64 39.633 33.915 34.229 1.00 17.52 O ATOM 509 CB CYS A 64 37.893 32.873 31.548 1.00 12.23 C ATOM 510 SG CYS A 64 39.569 33.010 30.792 1.00 15.40 S ATOM 511 N ASP A 65 38.341 32.069 34.579 1.00 13.86 N ATOM 512 CA ASP A 65 39.238 31.570 35.641 1.00 16.52 C ATOM 513 C ASP A 65 40.240 30.537 35.161 1.00 14.55 C ATOM 514 O ASP A 65 39.777 29.498 34.636 1.00 16.81 O ATOM 515 CB ASP A 65 38.254 31.020 36.660 1.00 19.55 C ATOM 516 CG ASP A 65 39.056 30.332 37.771 1.00 39.16 C ATOM 517 OD1 ASP A 65 40.143 30.861 38.120 1.00 33.03 O ATOM 518 OD2 ASP A 65 38.561 29.290 38.227 1.00 43.60 O ATOM 519 N ASP A 66 41.533 30.714 35.237 1.00 14.68 N ATOM 520 CA ASP A 66 42.490 29.664 34.800 1.00 18.54 C ATOM 521 C ASP A 66 43.285 29.145 36.030 1.00 21.82 C ATOM 522 O ASP A 66 44.214 28.353 35.835 1.00 21.01 O ATOM 523 CB ASP A 66 43.401 30.105 33.688 1.00 14.01 C ATOM 524 CG ASP A 66 44.449 31.117 34.071 1.00 17.63 C ATOM 525 OD1 ASP A 66 44.498 31.571 35.229 1.00 18.50 O ATOM 526 OD2 ASP A 66 45.282 31.477 33.171 1.00 21.35 O ATOM 527 N GLY A 67 42.907 29.581 37.205 1.00 19.91 N ATOM 528 CA GLY A 67 43.476 29.240 38.466 1.00 17.84 C ATOM 529 C GLY A 67 44.897 29.629 38.766 1.00 21.63 C ATOM 530 O GLY A 67 45.424 29.194 39.811 1.00 25.31 O ATOM 531 N ARG A 68 45.535 30.429 37.955 1.00 18.98 N ATOM 532 CA ARG A 68 46.925 30.855 38.193 1.00 22.39 C ATOM 533 C ARG A 68 47.192 32.328 37.884 1.00 26.40 C ATOM 534 O ARG A 68 48.349 32.801 37.731 1.00 29.50 O ATOM 535 CB ARG A 68 47.869 29.967 37.371 1.00 22.87 C ATOM 536 CG ARG A 68 47.655 30.073 35.887 1.00 17.07 C ATOM 537 CD ARG A 68 48.873 29.623 35.179 1.00 20.83 C ATOM 538 NE ARG A 68 48.897 30.169 33.822 1.00 26.31 N ATOM 539 CZ ARG A 68 49.537 29.559 32.818 1.00 49.80 C ATOM 540 NH1 ARG A 68 50.222 28.429 33.043 1.00 26.63 N ATOM 541 NH2 ARG A 68 49.558 30.037 31.562 1.00 21.96 N ATOM 542 N THR A 69 46.054 33.050 37.795 1.00 20.06 N ATOM 543 CA THR A 69 46.161 34.474 37.509 1.00 22.37 C ATOM 544 C THR A 69 45.868 35.301 38.775 1.00 18.89 C ATOM 545 O THR A 69 44.771 35.215 39.315 1.00 29.15 O ATOM 546 CB THR A 69 45.249 35.044 36.349 1.00 23.00 C ATOM 547 OG1 THR A 69 45.511 34.126 35.269 1.00 15.08 O ATOM 548 CG2 THR A 69 45.528 36.493 35.957 1.00 17.64 C ATOM 549 N PRO A 70 46.898 36.088 39.096 1.00 38.62 N ATOM 550 CA PRO A 70 46.831 37.059 40.183 1.00 36.92 C ATOM 551 C PRO A 70 45.840 38.190 39.888 1.00 21.03 C ATOM 552 O PRO A 70 45.882 38.862 38.818 1.00 38.15 O ATOM 553 CB PRO A 70 48.274 37.535 40.368 1.00 57.26 C ATOM 554 CG PRO A 70 48.975 37.298 39.072 1.00 46.04 C ATOM 555 CD PRO A 70 48.194 36.179 38.389 1.00 40.03 C ATOM 556 N GLY A 71 44.909 38.379 40.818 1.00 26.51 N ATOM 557 CA GLY A 71 43.876 39.404 40.765 1.00 37.61 C ATOM 558 C GLY A 71 42.778 39.217 39.737 1.00 31.96 C ATOM 559 O GLY A 71 42.288 40.233 39.199 1.00 39.20 O ATOM 560 N ALA A 72 42.399 37.974 39.510 1.00 24.83 N ATOM 561 CA ALA A 72 41.412 37.624 38.506 1.00 31.81 C ATOM 562 C ALA A 72 39.993 37.827 39.010 1.00 38.51 C ATOM 563 O ALA A 72 39.705 37.478 40.154 1.00 34.08 O ATOM 564 CB ALA A 72 41.652 36.181 38.080 1.00 27.44 C ATOM 565 N LYS A 73 39.179 38.322 38.081 1.00 30.14 N ATOM 566 CA LYS A 73 37.767 38.604 38.376 1.00 26.24 C ATOM 567 C LYS A 73 36.761 37.683 37.705 1.00 35.69 C ATOM 568 O LYS A 73 35.587 37.673 38.192 1.00 39.50 O ATOM 569 CB LYS A 73 37.420 40.047 37.983 1.00 24.79 C ATOM 570 CG LYS A 73 38.539 41.039 38.297 1.00 41.30 C ATOM 571 CD LYS A 73 38.023 42.212 39.114 1.00 75.00 C ATOM 572 CE LYS A 73 37.966 41.868 40.590 1.00 73.38 C ATOM 573 NZ LYS A 73 39.251 42.194 41.268 1.00 70.15 N ATOM 574 N ASN A 74 37.123 36.933 36.700 1.00 15.91 N ATOM 575 CA ASN A 74 36.096 35.997 36.081 1.00 15.63 C ATOM 576 C ASN A 74 34.669 36.522 35.889 1.00 17.55 C ATOM 577 O ASN A 74 33.674 35.992 36.408 1.00 18.43 O ATOM 578 CB ASN A 74 36.032 34.686 36.882 1.00 15.16 C ATOM 579 CG ASN A 74 35.411 33.576 36.071 1.00 18.17 C ATOM 580 OD1 ASN A 74 35.097 33.714 34.863 1.00 18.06 O ATOM 581 ND2 ASN A 74 35.196 32.469 36.786 1.00 23.58 N ATOM 582 N VAL A 75 34.617 37.554 35.058 1.00 21.60 N ATOM 583 CA VAL A 75 33.335 38.206 34.703 1.00 16.52 C ATOM 584 C VAL A 75 32.495 37.284 33.829 1.00 20.44 C ATOM 585 O VAL A 75 31.256 37.300 33.983 1.00 22.78 O ATOM 586 CB VAL A 75 33.682 39.583 34.114 1.00 19.29 C ATOM 587 CG1 VAL A 75 32.533 40.216 33.366 1.00 29.00 C ATOM 588 CG2 VAL A 75 34.195 40.497 35.214 1.00 19.92 C ATOM 589 N CYS A 76 33.043 36.469 32.948 1.00 16.20 N ATOM 590 CA CYS A 76 32.196 35.576 32.138 1.00 12.00 C ATOM 591 C CYS A 76 31.777 34.398 32.995 1.00 14.64 C ATOM 592 O CYS A 76 30.896 33.677 32.505 1.00 17.41 O ATOM 593 CB CYS A 76 32.836 35.049 30.861 1.00 9.87 C ATOM 594 SG CYS A 76 33.054 36.453 29.681 1.00 18.35 S ATOM 595 N GLY A 77 32.384 34.226 34.141 1.00 18.64 N ATOM 596 CA GLY A 77 31.963 33.109 35.020 1.00 18.26 C ATOM 597 C GLY A 77 32.272 31.757 34.425 1.00 18.13 C ATOM 598 O GLY A 77 31.422 30.859 34.526 1.00 20.18 O ATOM 599 N ILE A 78 33.453 31.630 33.828 1.00 29.20 N ATOM 600 CA ILE A 78 33.811 30.366 33.191 1.00 21.25 C ATOM 601 C ILE A 78 35.254 30.000 33.522 1.00 16.76 C ATOM 602 O ILE A 78 36.001 30.853 34.021 1.00 21.81 O ATOM 603 CB ILE A 78 33.590 30.440 31.630 1.00 15.20 C ATOM 604 CG1 ILE A 78 34.312 31.715 31.117 1.00 13.92 C ATOM 605 CG2 ILE A 78 32.108 30.390 31.212 1.00 19.90 C ATOM 606 CD1 ILE A 78 34.469 31.764 29.589 1.00 15.43 C ATOM 607 N ARG A 79 35.542 28.769 33.158 1.00 15.88 N ATOM 608 CA ARG A 79 36.917 28.266 33.255 1.00 18.00 C ATOM 609 C ARG A 79 37.542 28.693 31.914 1.00 20.50 C ATOM 610 O ARG A 79 36.773 28.503 30.932 1.00 13.97 O ATOM 611 CB ARG A 79 37.091 26.787 33.428 1.00 21.11 C ATOM 612 CG ARG A 79 36.322 26.223 34.632 1.00 21.94 C ATOM 613 CD ARG A 79 37.172 26.532 35.823 1.00 30.78 C ATOM 614 NE ARG A 79 37.012 25.419 36.771 1.00 60.65 N ATOM 615 CZ ARG A 79 37.388 25.475 38.058 1.00 74.21 C ATOM 616 NH1 ARG A 79 38.366 26.302 38.455 1.00 62.60 N ATOM 617 NH2 ARG A 79 36.769 24.690 38.963 1.00 50.54 N ATOM 618 N CYS A 80 38.783 29.157 31.857 1.00 15.00 N ATOM 619 CA CYS A 80 39.378 29.545 30.573 1.00 9.53 C ATOM 620 C CYS A 80 39.463 28.385 29.568 1.00 16.33 C ATOM 621 O CYS A 80 39.456 28.596 28.342 1.00 15.34 O ATOM 622 CB CYS A 80 40.728 30.146 30.863 1.00 10.23 C ATOM 623 SG CYS A 80 40.713 31.674 31.799 1.00 16.76 S ATOM 624 N SER A 81 39.562 27.174 30.060 1.00 17.11 N ATOM 625 CA SER A 81 39.583 25.909 29.298 1.00 27.76 C ATOM 626 C SER A 81 38.387 25.747 28.347 1.00 19.17 C ATOM 627 O SER A 81 38.523 25.158 27.244 1.00 15.68 O ATOM 628 CB SER A 81 39.699 24.773 30.307 1.00 18.26 C ATOM 629 OG SER A 81 38.622 24.665 31.223 1.00 18.96 O ATOM 630 N GLN A 82 37.208 26.275 28.715 1.00 12.61 N ATOM 631 CA GLN A 82 35.998 26.278 27.903 1.00 14.47 C ATOM 632 C GLN A 82 36.102 27.181 26.661 1.00 16.25 C ATOM 633 O GLN A 82 35.252 27.041 25.776 1.00 18.52 O ATOM 634 CB GLN A 82 34.781 26.744 28.685 1.00 18.12 C ATOM 635 CG GLN A 82 34.561 25.870 29.915 1.00 21.03 C ATOM 636 CD GLN A 82 33.345 26.329 30.701 1.00 33.40 C ATOM 637 OE1 GLN A 82 33.426 26.905 31.784 1.00 30.92 O ATOM 638 NE2 GLN A 82 32.176 26.062 30.130 1.00 28.66 N ATOM 639 N LEU A 83 37.105 28.053 26.662 1.00 12.53 N ATOM 640 CA LEU A 83 37.379 28.945 25.565 1.00 17.44 C ATOM 641 C LEU A 83 38.254 28.240 24.523 1.00 20.26 C ATOM 642 O LEU A 83 38.543 28.910 23.518 1.00 19.47 O ATOM 643 CB LEU A 83 38.055 30.259 26.051 1.00 11.30 C ATOM 644 CG LEU A 83 37.243 31.103 27.013 1.00 13.36 C ATOM 645 CD1 LEU A 83 37.996 32.353 27.389 1.00 15.63 C ATOM 646 CD2 LEU A 83 35.913 31.450 26.325 1.00 11.21 C ATOM 647 N LEU A 84 38.663 27.001 24.747 1.00 15.58 N ATOM 648 CA LEU A 84 39.562 26.348 23.785 1.00 18.37 C ATOM 649 C LEU A 84 38.919 25.231 22.972 1.00 19.62 C ATOM 650 O LEU A 84 39.648 24.560 22.241 1.00 19.93 O ATOM 651 CB LEU A 84 40.789 25.803 24.554 1.00 15.48 C ATOM 652 CG LEU A 84 41.555 26.832 25.368 1.00 25.14 C ATOM 653 CD1 LEU A 84 42.662 26.144 26.151 1.00 28.13 C ATOM 654 CD2 LEU A 84 42.223 27.893 24.491 1.00 15.35 C ATOM 655 N THR A 85 37.646 25.036 23.134 1.00 19.69 N ATOM 656 CA THR A 85 36.900 23.970 22.445 1.00 13.86 C ATOM 657 C THR A 85 36.622 24.308 20.984 1.00 26.75 C ATOM 658 O THR A 85 36.574 25.455 20.521 1.00 22.46 O ATOM 659 CB THR A 85 35.625 23.658 23.308 1.00 17.99 C ATOM 660 OG1 THR A 85 34.770 24.841 23.283 1.00 17.16 O ATOM 661 CG2 THR A 85 35.888 23.278 24.776 1.00 19.95 C ATOM 662 N ASP A 86 36.391 23.269 20.182 1.00 21.54 N ATOM 663 CA ASP A 86 36.108 23.434 18.730 1.00 19.67 C ATOM 664 C ASP A 86 34.776 24.154 18.624 1.00 14.42 C ATOM 665 O ASP A 86 34.551 24.958 17.728 1.00 19.13 O ATOM 666 CB ASP A 86 36.260 22.079 18.071 1.00 21.50 C ATOM 667 CG ASP A 86 37.582 21.332 18.252 1.00 76.88 C ATOM 668 OD1 ASP A 86 38.708 21.823 18.550 1.00 34.80 O ATOM 669 OD2 ASP A 86 37.562 20.083 18.057 1.00 37.31 O ATOM 670 N ASP A 87 33.868 23.857 19.522 1.00 19.06 N ATOM 671 CA ASP A 87 32.561 24.470 19.680 1.00 17.34 C ATOM 672 C ASP A 87 32.748 25.885 20.235 1.00 17.82 C ATOM 673 O ASP A 87 33.355 26.043 21.339 1.00 17.69 O ATOM 674 CB ASP A 87 31.723 23.637 20.624 1.00 15.32 C ATOM 675 CG ASP A 87 30.312 24.207 20.661 1.00 25.26 C ATOM 676 OD1 ASP A 87 29.633 24.042 19.655 1.00 37.21 O ATOM 677 OD2 ASP A 87 29.903 24.810 21.635 1.00 33.96 O ATOM 678 N LEU A 88 32.256 26.855 19.508 1.00 15.61 N ATOM 679 CA LEU A 88 32.434 28.292 19.817 1.00 18.42 C ATOM 680 C LEU A 88 31.381 28.887 20.781 1.00 23.52 C ATOM 681 O LEU A 88 31.463 30.055 21.162 1.00 17.99 O ATOM 682 CB LEU A 88 32.266 29.143 18.551 1.00 20.15 C ATOM 683 CG LEU A 88 33.485 29.171 17.624 1.00 35.63 C ATOM 684 CD1 LEU A 88 33.834 27.798 17.053 1.00 20.00 C ATOM 685 CD2 LEU A 88 33.280 30.084 16.405 1.00 20.00 C ATOM 686 N THR A 89 30.325 28.069 21.167 1.00 17.61 N ATOM 687 CA THR A 89 29.272 28.630 22.010 1.00 14.12 C ATOM 688 C THR A 89 29.705 29.458 23.218 1.00 17.75 C ATOM 689 O THR A 89 29.159 30.571 23.361 1.00 17.45 O ATOM 690 CB THR A 89 28.360 27.423 22.451 1.00 17.59 C ATOM 691 OG1 THR A 89 27.923 26.853 21.185 1.00 24.55 O ATOM 692 CG2 THR A 89 27.261 27.902 23.400 1.00 21.48 C ATOM 693 N VAL A 90 30.572 28.938 24.073 1.00 18.21 N ATOM 694 CA VAL A 90 30.980 29.610 25.294 1.00 17.12 C ATOM 695 C VAL A 90 31.868 30.804 24.926 1.00 16.76 C ATOM 696 O VAL A 90 31.675 31.846 25.567 1.00 17.90 O ATOM 697 CB VAL A 90 31.667 28.667 26.291 1.00 14.60 C ATOM 698 CG1 VAL A 90 32.332 29.359 27.469 1.00 14.54 C ATOM 699 CG2 VAL A 90 30.657 27.672 26.786 1.00 19.10 C ATOM 700 N ALA A 91 32.754 30.635 23.970 1.00 10.75 N ATOM 701 CA ALA A 91 33.638 31.742 23.543 1.00 12.26 C ATOM 702 C ALA A 91 32.780 32.897 23.050 1.00 16.95 C ATOM 703 O ALA A 91 33.063 34.036 23.432 1.00 16.20 O ATOM 704 CB ALA A 91 34.629 31.293 22.478 1.00 9.95 C ATOM 705 N ILE A 92 31.788 32.578 22.225 1.00 14.01 N ATOM 706 CA ILE A 92 30.906 33.642 21.685 1.00 20.50 C ATOM 707 C ILE A 92 30.134 34.337 22.823 1.00 17.47 C ATOM 708 O ILE A 92 30.034 35.575 22.837 1.00 15.67 O ATOM 709 CB ILE A 92 29.984 33.106 20.538 1.00 20.56 C ATOM 710 CG1 ILE A 92 30.885 32.859 19.284 1.00 14.53 C ATOM 711 CG2 ILE A 92 28.780 34.025 20.218 1.00 12.81 C ATOM 712 CD1 ILE A 92 30.054 31.995 18.292 1.00 16.95 C ATOM 713 N ARG A 93 29.556 33.567 23.736 1.00 14.49 N ATOM 714 CA ARG A 93 28.794 34.168 24.828 1.00 18.76 C ATOM 715 C ARG A 93 29.711 35.064 25.649 1.00 17.16 C ATOM 716 O ARG A 93 29.324 36.166 26.049 1.00 16.42 O ATOM 717 CB ARG A 93 28.145 33.032 25.592 1.00 17.75 C ATOM 718 CG ARG A 93 27.242 33.508 26.716 1.00 35.41 C ATOM 719 CD ARG A 93 26.922 32.320 27.573 1.00 45.93 C ATOM 720 NE ARG A 93 26.362 31.336 26.645 1.00 46.10 N ATOM 721 CZ ARG A 93 26.471 30.022 26.817 1.00 76.63 C ATOM 722 NH1 ARG A 93 27.322 29.481 27.685 1.00 54.12 N ATOM 723 NH2 ARG A 93 25.670 29.245 26.082 1.00 62.87 N ATOM 724 N CYS A 94 30.946 34.683 25.880 1.00 15.49 N ATOM 725 CA CYS A 94 31.893 35.528 26.659 1.00 20.88 C ATOM 726 C CYS A 94 32.330 36.727 25.783 1.00 17.36 C ATOM 727 O CYS A 94 32.335 37.840 26.375 1.00 18.30 O ATOM 728 CB CYS A 94 33.016 34.662 27.256 1.00 13.87 C ATOM 729 SG CYS A 94 34.183 35.643 28.222 1.00 15.28 S ATOM 730 N ALA A 95 32.655 36.606 24.492 1.00 15.48 N ATOM 731 CA ALA A 95 33.016 37.783 23.675 1.00 17.66 C ATOM 732 C ALA A 95 31.865 38.798 23.642 1.00 20.76 C ATOM 733 O ALA A 95 32.019 40.020 23.619 1.00 14.72 O ATOM 734 CB ALA A 95 33.424 37.365 22.281 1.00 12.91 C ATOM 735 N LYS A 96 30.605 38.346 23.619 1.00 14.30 N ATOM 736 CA LYS A 96 29.419 39.206 23.666 1.00 17.13 C ATOM 737 C LYS A 96 29.428 40.003 24.986 1.00 17.20 C ATOM 738 O LYS A 96 29.018 41.183 24.985 1.00 17.01 O ATOM 739 CB LYS A 96 28.100 38.457 23.541 1.00 8.06 C ATOM 740 CG LYS A 96 27.947 38.011 22.097 1.00 18.44 C ATOM 741 CD LYS A 96 26.604 37.293 21.950 1.00 21.53 C ATOM 742 CE LYS A 96 26.380 36.802 20.523 1.00 24.84 C ATOM 743 NZ LYS A 96 25.188 35.905 20.535 1.00 20.54 N ATOM 744 N ARG A 97 29.825 39.369 26.083 1.00 13.83 N ATOM 745 CA ARG A 97 29.907 40.040 27.381 1.00 17.41 C ATOM 746 C ARG A 97 31.055 41.087 27.372 1.00 19.69 C ATOM 747 O ARG A 97 30.916 42.254 27.822 1.00 15.34 O ATOM 748 CB ARG A 97 30.080 39.057 28.530 1.00 16.69 C ATOM 749 CG ARG A 97 30.450 39.720 29.857 1.00 17.78 C ATOM 750 CD ARG A 97 29.401 40.677 30.301 1.00 25.17 C ATOM 751 NE ARG A 97 29.717 41.496 31.444 1.00 18.76 N ATOM 752 CZ ARG A 97 30.365 42.651 31.411 1.00 13.49 C ATOM 753 NH1 ARG A 97 30.780 43.264 30.320 1.00 12.96 N ATOM 754 NH2 ARG A 97 30.565 43.230 32.583 1.00 19.37 N ATOM 755 N VAL A 98 32.222 40.728 26.873 1.00 15.71 N ATOM 756 CA VAL A 98 33.373 41.606 26.768 1.00 18.30 C ATOM 757 C VAL A 98 32.986 42.889 26.004 1.00 17.21 C ATOM 758 O VAL A 98 33.398 43.946 26.547 1.00 17.38 O ATOM 759 CB VAL A 98 34.584 40.915 26.098 1.00 16.56 C ATOM 760 CG1 VAL A 98 35.717 41.920 25.863 1.00 14.33 C ATOM 761 CG2 VAL A 98 35.079 39.679 26.832 1.00 10.64 C ATOM 762 N VAL A 99 32.319 42.821 24.853 1.00 13.39 N ATOM 763 CA VAL A 99 32.018 44.020 24.083 1.00 14.82 C ATOM 764 C VAL A 99 31.002 45.000 24.714 1.00 17.40 C ATOM 765 O VAL A 99 30.894 46.131 24.187 1.00 17.99 O ATOM 766 CB VAL A 99 31.431 43.859 22.632 1.00 24.56 C ATOM 767 CG1 VAL A 99 32.662 43.864 21.750 1.00 23.77 C ATOM 768 CG2 VAL A 99 30.443 42.748 22.502 1.00 15.81 C ATOM 769 N LEU A 100 30.323 44.532 25.726 1.00 17.67 N ATOM 770 CA LEU A 100 29.349 45.395 26.404 1.00 21.97 C ATOM 771 C LEU A 100 30.083 46.361 27.342 1.00 20.83 C ATOM 772 O LEU A 100 29.358 47.280 27.727 1.00 26.62 O ATOM 773 CB LEU A 100 28.302 44.535 27.108 1.00 15.25 C ATOM 774 CG LEU A 100 27.471 43.650 26.219 1.00 17.44 C ATOM 775 CD1 LEU A 100 26.531 42.842 27.118 1.00 31.28 C ATOM 776 CD2 LEU A 100 26.686 44.489 25.222 1.00 17.72 C ATOM 777 N ASP A 101 31.333 46.128 27.694 1.00 13.05 N ATOM 778 CA ASP A 101 31.988 47.087 28.564 1.00 16.95 C ATOM 779 C ASP A 101 32.228 48.341 27.707 1.00 22.07 C ATOM 780 O ASP A 101 32.169 48.304 26.479 1.00 21.47 O ATOM 781 CB ASP A 101 33.282 46.590 29.213 1.00 18.53 C ATOM 782 CG ASP A 101 33.044 45.995 30.590 1.00 17.30 C ATOM 783 OD1 ASP A 101 31.874 45.780 30.979 1.00 26.27 O ATOM 784 OD2 ASP A 101 34.060 45.721 31.245 1.00 22.85 O ATOM 785 N PRO A 102 32.499 49.413 28.436 1.00 21.39 N ATOM 786 CA PRO A 102 32.779 50.736 27.892 1.00 25.90 C ATOM 787 C PRO A 102 33.700 50.814 26.694 1.00 18.82 C ATOM 788 O PRO A 102 33.318 51.517 25.731 1.00 24.76 O ATOM 789 CB PRO A 102 33.385 51.460 29.109 1.00 29.27 C ATOM 790 CG PRO A 102 32.486 50.920 30.212 1.00 24.89 C ATOM 791 CD PRO A 102 32.568 49.435 29.920 1.00 23.84 C ATOM 792 N ASN A 103 34.764 50.039 26.726 1.00 23.60 N ATOM 793 CA ASN A 103 35.755 50.081 25.634 1.00 19.04 C ATOM 794 C ASN A 103 35.274 49.362 24.350 1.00 26.12 C ATOM 795 O ASN A 103 35.910 49.450 23.294 1.00 20.00 O ATOM 796 CB ASN A 103 37.068 49.457 26.094 1.00 20.77 C ATOM 797 CG ASN A 103 37.877 50.402 26.984 1.00 33.46 C ATOM 798 OD1 ASN A 103 37.473 51.549 27.186 1.00 30.23 O ATOM 799 ND2 ASN A 103 39.001 49.990 27.538 1.00 20.00 N ATOM 800 N GLY A 104 34.127 48.626 24.412 1.00 17.55 N ATOM 801 CA GLY A 104 33.616 47.925 23.243 1.00 18.44 C ATOM 802 C GLY A 104 34.701 47.013 22.665 1.00 15.00 C ATOM 803 O GLY A 104 35.494 46.395 23.387 1.00 16.48 O ATOM 804 N ILE A 105 34.713 46.948 21.358 1.00 16.97 N ATOM 805 CA ILE A 105 35.646 46.062 20.629 1.00 21.90 C ATOM 806 C ILE A 105 37.087 46.525 20.745 1.00 16.33 C ATOM 807 O ILE A 105 37.959 45.712 20.373 1.00 17.78 O ATOM 808 CB ILE A 105 35.054 45.889 19.172 1.00 20.57 C ATOM 809 CG1 ILE A 105 35.574 44.581 18.532 1.00 13.63 C ATOM 810 CG2 ILE A 105 35.326 47.181 18.371 1.00 20.85 C ATOM 811 CD1 ILE A 105 34.898 44.235 17.204 1.00 14.68 C ATOM 812 N GLY A 106 37.261 47.705 21.309 1.00 15.13 N ATOM 813 CA GLY A 106 38.620 48.245 21.517 1.00 12.14 C ATOM 814 C GLY A 106 39.312 47.460 22.610 1.00 19.51 C ATOM 815 O GLY A 106 40.470 47.686 22.916 1.00 19.10 O ATOM 816 N ALA A 107 38.652 46.513 23.251 1.00 17.59 N ATOM 817 CA ALA A 107 39.173 45.619 24.293 1.00 15.03 C ATOM 818 C ALA A 107 40.253 44.710 23.697 1.00 15.02 C ATOM 819 O ALA A 107 41.168 44.201 24.344 1.00 18.31 O ATOM 820 CB ALA A 107 38.120 44.734 24.928 1.00 18.12 C ATOM 821 N TRP A 108 40.102 44.455 22.407 1.00 16.04 N ATOM 822 CA TRP A 108 41.024 43.604 21.666 1.00 16.09 C ATOM 823 C TRP A 108 42.185 44.390 21.050 1.00 19.70 C ATOM 824 O TRP A 108 41.940 45.192 20.125 1.00 19.09 O ATOM 825 CB TRP A 108 40.250 42.838 20.565 1.00 17.83 C ATOM 826 CG TRP A 108 39.508 41.661 21.114 1.00 13.49 C ATOM 827 CD1 TRP A 108 39.997 40.402 21.369 1.00 14.20 C ATOM 828 CD2 TRP A 108 38.133 41.659 21.526 1.00 12.99 C ATOM 829 NE1 TRP A 108 38.977 39.640 21.907 1.00 15.50 N ATOM 830 CE2 TRP A 108 37.816 40.352 22.006 1.00 11.62 C ATOM 831 CE3 TRP A 108 37.128 42.621 21.504 1.00 14.87 C ATOM 832 CZ2 TRP A 108 36.552 39.982 22.465 1.00 12.52 C ATOM 833 CZ3 TRP A 108 35.854 42.259 21.957 1.00 14.43 C ATOM 834 CH2 TRP A 108 35.567 40.965 22.438 1.00 15.49 C ATOM 835 N VAL A 109 43.393 44.138 21.490 1.00 15.29 N ATOM 836 CA VAL A 109 44.564 44.819 20.925 1.00 21.54 C ATOM 837 C VAL A 109 44.623 44.610 19.404 1.00 23.06 C ATOM 838 O VAL A 109 44.864 45.605 18.677 1.00 19.01 O ATOM 839 CB VAL A 109 45.872 44.374 21.633 1.00 20.10 C ATOM 840 CG1 VAL A 109 47.055 45.224 21.119 1.00 22.23 C ATOM 841 CG2 VAL A 109 45.761 44.380 23.126 1.00 27.58 C ATOM 842 N ALA A 110 44.457 43.394 18.900 1.00 20.17 N ATOM 843 CA ALA A 110 44.567 43.107 17.463 1.00 19.37 C ATOM 844 C ALA A 110 43.513 43.877 16.682 1.00 17.18 C ATOM 845 O ALA A 110 43.932 44.231 15.553 1.00 18.73 O ATOM 846 CB ALA A 110 44.478 41.621 17.114 1.00 20.58 C ATOM 847 N TRP A 111 42.320 44.088 17.232 1.00 16.19 N ATOM 848 CA TRP A 111 41.333 44.872 16.460 1.00 12.35 C ATOM 849 C TRP A 111 41.857 46.331 16.297 1.00 19.29 C ATOM 850 O TRP A 111 41.792 46.927 15.207 1.00 18.58 O ATOM 851 CB TRP A 111 39.935 44.789 17.078 1.00 13.53 C ATOM 852 CG TRP A 111 38.914 45.576 16.308 1.00 14.55 C ATOM 853 CD1 TRP A 111 38.112 45.145 15.268 1.00 14.98 C ATOM 854 CD2 TRP A 111 38.592 46.964 16.537 1.00 15.96 C ATOM 855 NE1 TRP A 111 37.324 46.174 14.853 1.00 14.19 N ATOM 856 CE2 TRP A 111 37.604 47.304 15.588 1.00 20.11 C ATOM 857 CE3 TRP A 111 39.073 47.910 17.449 1.00 16.50 C ATOM 858 CZ2 TRP A 111 37.076 48.596 15.486 1.00 15.26 C ATOM 859 CZ3 TRP A 111 38.523 49.182 17.375 1.00 18.55 C ATOM 860 CH2 TRP A 111 37.544 49.508 16.436 1.00 18.44 C ATOM 861 N ARG A 112 42.300 46.939 17.385 1.00 16.92 N ATOM 862 CA ARG A 112 42.818 48.318 17.434 1.00 20.82 C ATOM 863 C ARG A 112 43.910 48.533 16.407 1.00 20.44 C ATOM 864 O ARG A 112 43.925 49.504 15.648 1.00 17.20 O ATOM 865 CB ARG A 112 43.357 48.710 18.841 1.00 12.95 C ATOM 866 CG ARG A 112 42.133 48.857 19.772 1.00 14.66 C ATOM 867 CD ARG A 112 42.330 49.813 20.906 1.00 18.96 C ATOM 868 NE ARG A 112 43.618 49.681 21.519 1.00 26.26 N ATOM 869 CZ ARG A 112 44.054 48.817 22.412 1.00 31.02 C ATOM 870 NH1 ARG A 112 43.236 47.941 22.992 1.00 21.48 N ATOM 871 NH2 ARG A 112 45.313 48.780 22.803 1.00 23.55 N ATOM 872 N LEU A 113 44.749 47.501 16.374 1.00 18.45 N ATOM 873 CA LEU A 113 45.939 47.519 15.550 1.00 25.99 C ATOM 874 C LEU A 113 45.681 47.231 14.056 1.00 31.44 C ATOM 875 O LEU A 113 46.098 48.003 13.184 1.00 23.75 O ATOM 876 CB LEU A 113 46.946 46.510 16.071 1.00 19.39 C ATOM 877 CG LEU A 113 48.346 47.099 16.060 1.00 47.96 C ATOM 878 CD1 LEU A 113 48.435 48.440 16.796 1.00 20.00 C ATOM 879 CD2 LEU A 113 49.385 46.195 16.705 1.00 20.00 C ATOM 880 N HIS A 114 45.093 46.098 13.698 1.00 22.13 N ATOM 881 CA HIS A 114 44.837 45.724 12.308 1.00 19.41 C ATOM 882 C HIS A 114 43.452 45.871 11.693 1.00 17.65 C ATOM 883 O HIS A 114 43.413 45.674 10.463 1.00 27.42 O ATOM 884 CB HIS A 114 45.136 44.209 12.140 1.00 15.20 C ATOM 885 CG HIS A 114 46.534 43.960 12.577 1.00 20.23 C ATOM 886 ND1 HIS A 114 46.758 43.358 13.805 1.00 31.86 N ATOM 887 CD2 HIS A 114 47.727 44.166 11.966 1.00 21.43 C ATOM 888 CE1 HIS A 114 48.061 43.211 13.969 1.00 21.45 C ATOM 889 NE2 HIS A 114 48.634 43.673 12.864 1.00 25.18 N ATOM 890 N CYS A 115 42.426 46.200 12.433 1.00 20.67 N ATOM 891 CA CYS A 115 41.107 46.283 11.869 1.00 19.68 C ATOM 892 C CYS A 115 40.453 47.636 11.967 1.00 15.99 C ATOM 893 O CYS A 115 39.652 47.912 11.049 1.00 21.86 O ATOM 894 CB CYS A 115 40.171 45.279 12.605 1.00 18.67 C ATOM 895 SG CYS A 115 40.931 43.617 12.760 1.00 19.60 S ATOM 896 N GLN A 116 40.704 48.332 13.061 1.00 15.01 N ATOM 897 CA GLN A 116 40.067 49.652 13.248 1.00 23.86 C ATOM 898 C GLN A 116 40.348 50.586 12.064 1.00 27.48 C ATOM 899 O GLN A 116 41.511 50.661 11.615 1.00 24.50 O ATOM 900 CB GLN A 116 40.582 50.271 14.524 1.00 13.47 C ATOM 901 CG GLN A 116 40.094 51.679 14.755 1.00 16.62 C ATOM 902 CD GLN A 116 40.350 52.150 16.168 1.00 22.39 C ATOM 903 OE1 GLN A 116 39.545 52.906 16.707 1.00 29.30 O ATOM 904 NE2 GLN A 116 41.443 51.741 16.817 1.00 16.00 N ATOM 905 N ASN A 117 39.326 51.255 11.551 1.00 28.23 N ATOM 906 CA ASN A 117 39.531 52.191 10.415 1.00 42.50 C ATOM 907 C ASN A 117 40.001 51.571 9.097 1.00 61.43 C ATOM 908 O ASN A 117 40.420 52.304 8.171 1.00 42.87 O ATOM 909 CB ASN A 117 40.541 53.291 10.825 1.00 33.32 C ATOM 910 CG ASN A 117 40.120 54.182 11.976 1.00 31.33 C ATOM 911 OD1 ASN A 117 38.926 54.497 12.184 1.00 37.02 O ATOM 912 ND2 ASN A 117 41.117 54.596 12.771 1.00 33.22 N ATOM 913 N GLN A 118 39.985 50.273 8.938 1.00 35.07 N ATOM 914 CA GLN A 118 40.392 49.535 7.749 1.00 29.48 C ATOM 915 C GLN A 118 39.224 49.101 6.861 1.00 33.01 C ATOM 916 O GLN A 118 38.065 49.114 7.297 1.00 27.85 O ATOM 917 CB GLN A 118 41.121 48.198 8.037 1.00 30.27 C ATOM 918 CG GLN A 118 42.384 48.563 8.815 1.00 36.63 C ATOM 919 CD GLN A 118 43.433 48.995 7.814 1.00 75.43 C ATOM 920 OE1 GLN A 118 43.138 49.281 6.653 1.00 76.43 O ATOM 921 NE2 GLN A 118 44.634 48.968 8.379 1.00 73.90 N ATOM 922 N ASP A 119 39.638 48.675 5.669 1.00 33.91 N ATOM 923 CA ASP A 119 38.556 48.161 4.772 1.00 39.09 C ATOM 924 C ASP A 119 38.547 46.656 5.106 1.00 21.68 C ATOM 925 O ASP A 119 39.526 45.900 4.908 1.00 31.47 O ATOM 926 CB ASP A 119 38.741 48.595 3.324 1.00 44.22 C ATOM 927 CG ASP A 119 37.453 48.269 2.550 1.00 81.11 C ATOM 928 OD1 ASP A 119 36.477 49.055 2.549 1.00 69.69 O ATOM 929 OD2 ASP A 119 37.407 47.179 1.952 1.00 71.31 O ATOM 930 N LEU A 120 37.431 46.230 5.692 1.00 30.47 N ATOM 931 CA LEU A 120 37.331 44.802 6.116 1.00 24.47 C ATOM 932 C LEU A 120 36.547 43.896 5.179 1.00 35.50 C ATOM 933 O LEU A 120 36.230 42.733 5.510 1.00 23.43 O ATOM 934 CB LEU A 120 36.761 44.902 7.537 1.00 19.87 C ATOM 935 CG LEU A 120 37.462 45.716 8.594 1.00 18.37 C ATOM 936 CD1 LEU A 120 36.864 45.446 9.968 1.00 23.47 C ATOM 937 CD2 LEU A 120 38.935 45.350 8.701 1.00 16.15 C ATOM 938 N ARG A 121 36.239 44.406 3.994 1.00 26.13 N ATOM 939 CA ARG A 121 35.463 43.694 2.969 1.00 43.70 C ATOM 940 C ARG A 121 36.054 42.321 2.669 1.00 36.20 C ATOM 941 O ARG A 121 35.344 41.307 2.522 1.00 31.75 O ATOM 942 CB ARG A 121 35.345 44.522 1.675 1.00 35.99 C ATOM 943 CG ARG A 121 33.936 45.100 1.507 1.00 63.53 C ATOM 944 CD ARG A 121 32.852 44.064 1.547 1.00 76.01 C ATOM 945 NE ARG A 121 31.605 44.323 0.849 1.00 81.11 N ATOM 946 CZ ARG A 121 31.249 44.324 -0.436 1.00 81.11 C ATOM 947 NH1 ARG A 121 32.080 44.339 -1.486 1.00 76.93 N ATOM 948 NH2 ARG A 121 29.937 44.310 -0.730 1.00 78.66 N ATOM 949 N SER A 122 37.368 42.334 2.567 1.00 19.19 N ATOM 950 CA SER A 122 38.094 41.110 2.292 1.00 22.31 C ATOM 951 C SER A 122 37.878 39.995 3.315 1.00 38.34 C ATOM 952 O SER A 122 38.062 38.817 2.910 1.00 25.91 O ATOM 953 CB SER A 122 39.584 41.424 2.244 1.00 33.09 C ATOM 954 OG SER A 122 39.929 42.127 3.430 1.00 60.31 O ATOM 955 N TYR A 123 37.575 40.310 4.563 1.00 33.97 N ATOM 956 CA TYR A 123 37.428 39.223 5.561 1.00 26.12 C ATOM 957 C TYR A 123 36.200 38.357 5.300 1.00 14.78 C ATOM 958 O TYR A 123 36.275 37.207 5.768 1.00 22.61 O ATOM 959 CB TYR A 123 37.444 39.773 7.013 1.00 17.69 C ATOM 960 CG TYR A 123 38.846 40.281 7.282 1.00 20.04 C ATOM 961 CD1 TYR A 123 39.858 39.432 7.688 1.00 15.21 C ATOM 962 CD2 TYR A 123 39.164 41.627 7.071 1.00 25.16 C ATOM 963 CE1 TYR A 123 41.160 39.905 7.923 1.00 15.03 C ATOM 964 CE2 TYR A 123 40.433 42.109 7.327 1.00 17.95 C ATOM 965 CZ TYR A 123 41.449 41.250 7.741 1.00 16.94 C ATOM 966 OH TYR A 123 42.737 41.675 7.993 1.00 19.62 O ATOM 967 N VAL A 124 35.192 38.853 4.629 1.00 18.45 N ATOM 968 CA VAL A 124 33.978 38.018 4.369 1.00 21.35 C ATOM 969 C VAL A 124 33.731 37.751 2.882 1.00 20.96 C ATOM 970 O VAL A 124 32.794 37.067 2.504 1.00 22.36 O ATOM 971 CB VAL A 124 32.799 38.683 5.078 1.00 23.47 C ATOM 972 CG1 VAL A 124 33.059 38.598 6.571 1.00 26.40 C ATOM 973 CG2 VAL A 124 32.560 40.101 4.601 1.00 30.60 C ATOM 974 N ALA A 125 34.618 38.214 2.027 1.00 25.88 N ATOM 975 CA ALA A 125 34.575 38.033 0.592 1.00 32.41 C ATOM 976 C ALA A 125 34.616 36.536 0.269 1.00 21.27 C ATOM 977 O ALA A 125 35.465 35.760 0.722 1.00 27.19 O ATOM 978 CB ALA A 125 35.733 38.705 -0.120 1.00 38.08 C ATOM 979 N GLY A 126 33.628 36.229 -0.558 1.00 29.73 N ATOM 980 CA GLY A 126 33.422 34.859 -1.048 1.00 16.76 C ATOM 981 C GLY A 126 32.706 33.952 -0.036 1.00 18.63 C ATOM 982 O GLY A 126 32.705 32.762 -0.383 1.00 24.95 O ATOM 983 N CYS A 127 32.195 34.442 1.085 1.00 23.65 N ATOM 984 CA CYS A 127 31.633 33.532 2.092 1.00 15.47 C ATOM 985 C CYS A 127 30.155 33.267 1.882 1.00 15.28 C ATOM 986 O CYS A 127 29.662 32.307 2.475 1.00 23.63 O ATOM 987 CB CYS A 127 31.942 34.102 3.494 1.00 19.93 C ATOM 988 SG CYS A 127 33.718 34.150 3.855 1.00 22.03 S ATOM 989 N GLY A 128 29.575 34.150 1.101 1.00 23.38 N ATOM 990 CA GLY A 128 28.150 34.117 0.760 1.00 18.57 C ATOM 991 C GLY A 128 27.265 34.369 1.962 1.00 22.84 C ATOM 992 O GLY A 128 26.203 33.765 2.081 1.00 28.45 O ATOM 993 N VAL A 129 27.607 35.188 2.912 1.00 25.27 N ATOM 994 CA VAL A 129 26.915 35.579 4.143 1.00 23.88 C ATOM 995 C VAL A 129 27.122 37.129 4.234 1.00 37.06 C ATOM 996 O VAL A 129 26.036 37.695 4.510 1.00 43.88 O ATOM 997 CB VAL A 129 27.347 34.847 5.420 1.00 30.64 C ATOM 998 CG1 VAL A 129 27.275 33.331 5.355 1.00 34.41 C ATOM 999 CG2 VAL A 129 28.771 35.215 5.868 1.00 30.19 C TER 1000 VAL A 129 HETATM 1001 C1 NAG A 130 40.573 45.941 30.725 1.00 16.35 C HETATM 1002 C2 NAG A 130 40.599 47.461 31.105 1.00 49.86 C HETATM 1003 C3 NAG A 130 39.697 47.780 32.309 1.00 29.37 C HETATM 1004 C4 NAG A 130 38.249 47.104 32.228 1.00 20.77 C HETATM 1005 C5 NAG A 130 38.436 45.626 31.880 1.00 22.06 C HETATM 1006 C6 NAG A 130 37.186 44.958 31.539 1.00 18.57 C HETATM 1007 C7 NAG A 130 42.034 48.701 30.178 1.00 25.62 C HETATM 1008 C8 NAG A 130 43.346 49.262 30.759 1.00 42.60 C HETATM 1009 N2 NAG A 130 41.695 47.858 31.171 1.00 42.79 N HETATM 1010 O3 NAG A 130 39.266 49.181 32.311 1.00 46.30 O HETATM 1011 O4 NAG A 130 37.469 47.416 33.391 1.00 26.43 O HETATM 1012 O5 NAG A 130 39.246 45.423 30.710 1.00 20.34 O HETATM 1013 O6 NAG A 130 36.383 45.653 30.651 1.00 21.58 O HETATM 1014 O7 NAG A 130 41.594 49.122 29.081 1.00 58.35 O HETATM 1015 C1 NAG A 131 43.023 42.938 27.078 1.00 24.56 C HETATM 1016 C2 NAG A 131 41.492 42.604 27.308 1.00 30.33 C HETATM 1017 C3 NAG A 131 40.822 43.798 27.982 1.00 13.79 C HETATM 1018 C4 NAG A 131 41.639 44.440 29.207 1.00 16.75 C HETATM 1019 C5 NAG A 131 43.116 44.565 28.850 1.00 32.65 C HETATM 1020 C6 NAG A 131 43.971 44.853 30.023 1.00 38.78 C HETATM 1021 C7 NAG A 131 40.423 40.786 26.468 1.00 12.52 C HETATM 1022 C8 NAG A 131 39.899 40.642 25.035 1.00 12.39 C HETATM 1023 N2 NAG A 131 40.892 42.050 26.534 1.00 17.85 N HETATM 1024 O3 NAG A 131 39.563 43.515 28.603 1.00 15.77 O HETATM 1025 O4 NAG A 131 41.024 45.731 29.426 1.00 17.85 O HETATM 1026 O5 NAG A 131 43.596 43.274 28.397 1.00 20.51 O HETATM 1027 O6 NAG A 131 43.753 44.063 31.167 1.00 56.49 O HETATM 1028 O7 NAG A 131 40.336 39.746 27.152 1.00 16.98 O HETATM 1029 C1 NDG A 132 46.881 40.478 24.981 1.00 29.15 C HETATM 1030 C2 NDG A 132 46.805 41.995 25.238 1.00 28.47 C HETATM 1031 C3 NDG A 132 45.696 42.310 26.245 1.00 33.80 C HETATM 1032 C4 NDG A 132 44.322 41.736 25.871 1.00 33.06 C HETATM 1033 C5 NDG A 132 44.299 40.337 25.216 1.00 33.05 C HETATM 1034 C6 NDG A 132 43.345 40.460 24.056 1.00 28.22 C HETATM 1035 C7 NDG A 132 48.758 43.117 26.079 1.00 34.25 C HETATM 1036 C8 NDG A 132 48.543 44.254 25.032 1.00 34.25 C HETATM 1037 O NDG A 132 45.558 39.988 24.562 1.00 34.25 O HETATM 1038 O3 NDG A 132 45.624 43.701 26.666 1.00 32.94 O HETATM 1039 O4 NDG A 132 43.524 41.622 27.086 1.00 26.50 O HETATM 1040 O6 NDG A 132 43.599 41.602 23.184 1.00 25.99 O HETATM 1041 O7 NDG A 132 49.919 43.191 26.673 1.00 34.25 O HETATM 1042 N2 NDG A 132 47.855 42.106 26.370 1.00 34.25 N HETATM 1043 O1L NDG A 132 47.236 40.018 26.007 1.00 20.00 O HETATM 1044 O HOH A 133 26.246 29.807 19.762 1.00 44.26 O HETATM 1045 O HOH A 134 42.457 45.513 5.433 1.00 44.45 O HETATM 1046 O HOH A 135 43.129 44.697 8.039 1.00 42.75 O HETATM 1047 O HOH A 136 30.676 48.082 12.515 1.00 30.11 O HETATM 1048 O HOH A 137 45.397 33.460 9.278 1.00 46.64 O HETATM 1049 O HOH A 138 42.270 28.973 8.488 1.00 30.46 O HETATM 1050 O HOH A 139 44.881 29.870 10.111 1.00 36.19 O HETATM 1051 O HOH A 140 36.813 19.961 21.449 1.00 37.55 O HETATM 1052 O HOH A 141 33.911 21.046 21.228 1.00 29.57 O HETATM 1053 O HOH A 142 47.163 37.425 22.811 1.00 35.20 O HETATM 1054 O HOH A 143 50.688 29.260 26.410 1.00 35.88 O HETATM 1055 O HOH A 144 37.814 30.027 21.259 1.00 18.60 O HETATM 1056 O HOH A 145 35.987 28.037 21.407 1.00 18.50 O HETATM 1057 O HOH A 146 33.941 27.839 23.332 1.00 18.21 O HETATM 1058 O HOH A 147 31.233 25.903 23.973 1.00 26.37 O HETATM 1059 O HOH A 148 33.222 25.029 25.620 1.00 24.59 O HETATM 1060 O HOH A 149 48.054 41.415 29.146 1.00 38.25 O HETATM 1061 O HOH A 150 45.653 41.509 31.621 1.00 30.84 O HETATM 1062 O HOH A 151 39.549 47.453 27.372 1.00 28.50 O HETATM 1063 O HOH A 152 37.121 46.082 28.281 1.00 23.29 O HETATM 1064 O HOH A 153 35.737 48.800 29.148 1.00 19.80 O HETATM 1065 O HOH A 154 35.327 46.041 26.364 1.00 17.44 O HETATM 1066 O HOH A 155 47.450 39.756 36.686 1.00 42.57 O HETATM 1067 O HOH A 156 43.181 32.844 38.573 1.00 26.40 O HETATM 1068 O HOH A 157 42.102 33.428 36.234 1.00 25.04 O HETATM 1069 O HOH A 158 50.872 31.929 34.885 1.00 34.74 O HETATM 1070 O HOH A 159 51.336 27.000 35.357 1.00 59.34 O HETATM 1071 O HOH A 160 46.953 28.097 31.061 1.00 18.96 O HETATM 1072 O HOH A 161 47.577 32.509 33.301 1.00 16.49 O HETATM 1073 O HOH A 162 30.297 30.120 3.054 1.00 32.01 O HETATM 1074 O HOH A 163 30.253 43.810 4.175 1.00 73.43 O HETATM 1075 O HOH A 164 54.291 42.638 35.300 1.00 60.64 O HETATM 1076 O HOH A 165 38.180 32.868 22.674 1.00 14.52 O HETATM 1077 O HOH A 166 41.909 25.652 37.234 1.00 16.68 O HETATM 1078 O HOH A 167 39.176 23.335 33.549 1.00 20.31 O HETATM 1079 O HOH A 168 33.991 29.402 36.749 1.00 37.46 O HETATM 1080 O HOH A 169 36.366 22.717 30.508 1.00 38.87 O HETATM 1081 O HOH A 170 39.688 22.174 27.546 1.00 42.71 O HETATM 1082 O HOH A 171 29.454 33.811 29.657 1.00 36.48 O HETATM 1083 O HOH A 172 30.286 32.010 28.140 1.00 34.07 O HETATM 1084 O HOH A 173 26.854 37.106 26.832 1.00 35.29 O HETATM 1085 O HOH A 174 25.482 39.410 26.251 1.00 45.08 O HETATM 1086 O HOH A 175 39.875 25.136 41.397 1.00 30.77 O HETATM 1087 O HOH A 176 40.998 27.364 39.063 1.00 27.69 O HETATM 1088 O HOH A 177 26.908 31.409 21.981 1.00 25.68 O HETATM 1089 O HOH A 178 25.643 33.900 22.469 1.00 33.30 O HETATM 1090 O HOH A 179 28.495 28.102 18.315 1.00 48.60 O HETATM 1091 O HOH A 180 31.692 24.972 11.145 1.00 57.62 O HETATM 1092 O HOH A 181 26.885 25.969 5.922 1.00 31.19 O HETATM 1093 O HOH A 182 28.060 29.349 15.898 1.00 45.01 O HETATM 1094 O HOH A 183 30.711 26.321 17.129 1.00 32.36 O HETATM 1095 O HOH A 184 28.775 30.503 29.497 1.00 42.21 O HETATM 1096 O HOH A 185 29.237 27.866 30.561 1.00 45.76 O HETATM 1097 O HOH A 186 32.165 48.286 20.008 1.00 26.08 O HETATM 1098 O HOH A 187 27.507 50.974 28.469 1.00 31.43 O HETATM 1099 O HOH A 188 29.852 48.567 21.547 1.00 37.20 O HETATM 1100 O HOH A 189 29.179 50.481 26.452 1.00 61.06 O HETATM 1101 O HOH A 190 40.900 50.004 24.515 1.00 51.70 O HETATM 1102 O HOH A 191 36.829 51.179 12.906 1.00 43.76 O HETATM 1103 O HOH A 192 36.534 48.596 11.404 1.00 41.14 O HETATM 1104 O HOH A 193 39.856 57.612 14.660 1.00 59.55 O HETATM 1105 O HOH A 194 38.704 51.290 20.772 1.00 37.82 O HETATM 1106 O HOH A 195 48.941 50.913 11.287 1.00 51.27 O HETATM 1107 O HOH A 196 41.365 54.071 6.463 1.00 43.07 O HETATM 1108 O HOH A 197 30.534 36.988 -1.181 1.00 49.70 O HETATM 1109 O HOH A 198 28.760 32.799 -2.317 1.00 45.69 O HETATM 1110 O HOH A 199 30.545 31.312 -1.471 1.00 52.26 O HETATM 1111 O HOH A 200 35.181 29.738 1.305 1.00 70.41 O HETATM 1112 O HOH A 201 41.204 32.816 2.283 1.00 52.05 O HETATM 1113 O HOH A 202 30.290 37.315 2.097 1.00 50.90 O HETATM 1114 O HOH A 203 36.649 53.205 15.444 1.00 50.94 O HETATM 1115 O HOH A 204 39.838 37.684 1.374 1.00 55.90 O HETATM 1116 O HOH A 205 38.677 22.618 10.243 1.00 55.54 O HETATM 1117 O HOH A 206 35.313 21.009 9.026 1.00 67.16 O HETATM 1118 O HOH A 207 46.674 25.557 10.445 1.00 57.98 O HETATM 1119 O HOH A 208 52.371 31.422 25.856 1.00 52.46 O HETATM 1120 O HOH A 209 48.032 27.106 40.293 1.00 43.30 O HETATM 1121 O HOH A 210 56.608 40.738 35.434 1.00 54.13 O HETATM 1122 O HOH A 211 33.205 26.406 35.788 1.00 63.54 O HETATM 1123 O HOH A 212 29.234 47.657 32.231 1.00 41.22 O HETATM 1124 O HOH A 213 46.802 44.695 8.975 1.00 48.32 O HETATM 1125 O HOH A 214 53.596 49.218 16.249 1.00 73.45 O HETATM 1126 O HOH A 215 32.346 24.399 27.898 1.00 40.20 O HETATM 1127 O HOH A 216 41.164 56.842 5.360 1.00 44.94 O HETATM 1128 O HOH A 217 47.408 34.053 10.598 1.00 51.62 O HETATM 1129 O HOH A 218 44.979 32.067 42.084 1.00 52.74 O HETATM 1130 O HOH A 219 27.532 40.972 6.997 1.00 63.43 O HETATM 1131 O HOH A 220 35.738 28.722 38.494 1.00 43.37 O HETATM 1132 O HOH A 221 25.386 39.507 30.001 1.00 54.29 O HETATM 1133 O HOH A 222 34.311 27.464 3.780 1.00 44.60 O HETATM 1134 O HOH A 223 50.613 33.594 21.911 1.00 38.89 O HETATM 1135 O HOH A 224 39.789 34.054 38.678 1.00 44.91 O HETATM 1136 O HOH A 225 39.373 36.275 35.797 1.00 40.70 O HETATM 1137 O HOH A 226 24.449 30.637 24.318 1.00 49.23 O HETATM 1138 O HOH A 227 36.385 31.881 39.673 1.00 46.21 O HETATM 1139 O HOH A 228 22.724 32.719 25.222 1.00 63.16 O HETATM 1140 O HOH A 229 28.016 27.288 11.824 1.00 26.02 O HETATM 1141 O HOH A 230 35.986 51.649 18.787 1.00 56.77 O HETATM 1142 O HOH A 231 47.921 36.396 13.846 1.00 58.72 O HETATM 1143 O HOH A 232 35.793 51.622 5.105 1.00 74.45 O HETATM 1144 O HOH A 233 47.283 29.645 16.652 1.00 38.97 O HETATM 1145 O HOH A 234 50.606 28.923 14.105 1.00 68.81 O HETATM 1146 O HOH A 235 40.743 20.028 12.770 1.00 49.94 O HETATM 1147 O HOH A 236 40.974 30.394 6.052 1.00 28.38 O HETATM 1148 O HOH A 237 37.422 30.358 3.256 1.00 38.28 O HETATM 1149 O HOH A 238 24.619 37.527 13.027 1.00 17.78 O HETATM 1150 O HOH A 239 36.019 22.147 28.080 1.00 33.75 O HETATM 1151 O HOH A 240 30.422 26.031 14.322 1.00 70.01 O HETATM 1152 O HOH A 241 47.806 54.316 10.948 1.00 29.81 O HETATM 1153 O HOH A 242 35.610 48.903 33.703 1.00 46.20 O HETATM 1154 O HOH A 243 48.198 36.379 20.430 1.00 72.71 O HETATM 1155 O HOH A 244 46.009 39.902 21.612 1.00 62.02 O HETATM 1156 O HOH A 245 35.934 45.940 35.267 1.00 44.04 O HETATM 1157 O HOH A 246 34.148 44.122 34.308 1.00 40.52 O HETATM 1158 O HOH A 247 36.685 44.061 36.384 1.00 74.76 O HETATM 1159 O HOH A 248 33.772 41.949 39.092 1.00 70.07 O HETATM 1160 O HOH A 249 47.689 41.322 22.332 1.00 34.09 O CONECT 53 988 CONECT 228 895 CONECT 510 623 CONECT 594 729 CONECT 623 510 CONECT 729 594 CONECT 895 228 CONECT 988 53 CONECT 1001 1002 1012 1025 CONECT 1002 1001 1003 1009 CONECT 1003 1002 1004 1010 CONECT 1004 1003 1005 1011 CONECT 1005 1004 1006 1012 CONECT 1006 1005 1013 CONECT 1007 1008 1009 1014 CONECT 1008 1007 CONECT 1009 1002 1007 CONECT 1010 1003 CONECT 1011 1004 CONECT 1012 1001 1005 CONECT 1013 1006 CONECT 1014 1007 CONECT 1015 1016 1026 1039 CONECT 1016 1015 1017 1023 CONECT 1017 1016 1018 1024 CONECT 1018 1017 1019 1025 CONECT 1019 1018 1020 1026 CONECT 1020 1019 1027 CONECT 1021 1022 1023 1028 CONECT 1022 1021 CONECT 1023 1016 1021 CONECT 1024 1017 CONECT 1025 1001 1018 CONECT 1026 1015 1019 CONECT 1027 1020 CONECT 1028 1021 CONECT 1029 1030 1037 1043 CONECT 1030 1029 1031 1042 CONECT 1031 1030 1032 1038 CONECT 1032 1031 1033 1039 CONECT 1033 1032 1034 1037 CONECT 1034 1033 1040 CONECT 1035 1036 1041 1042 CONECT 1036 1035 CONECT 1037 1029 1033 CONECT 1038 1031 CONECT 1039 1015 1032 CONECT 1040 1034 CONECT 1041 1035 CONECT 1042 1030 1035 CONECT 1043 1029 MASTER 330 0 3 8 2 0 8 6 1159 1 51 10 END