HEADER HYDROLASE (O-GLYCOSYL) 08-JUN-87 3LYM TITLE CRYSTAL STRUCTURE OF HEN EGG-WHITE LYSOZYME AT A TITLE 2 HYDROSTATIC PRESSURE OF 1000 ATMOSPHERES COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEN EGG WHITE LYSOZYME; COMPND 3 CHAIN: A; COMPND 4 EC: 3.2.1.17; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 3 ORGANISM_COMMON: CHICKEN; SOURCE 4 ORGANISM_TAXID: 9031 KEYWDS HYDROLASE (O-GLYCOSYL) EXPDTA X-RAY DIFFRACTION AUTHOR C.E.KUNDROT,F.M.RICHARDS REVDAT 2 24-FEB-09 3LYM 1 VERSN REVDAT 1 16-OCT-87 3LYM 0 JRNL AUTH C.E.KUNDROT,F.M.RICHARDS JRNL TITL CRYSTAL STRUCTURE OF HEN EGG-WHITE LYSOZYME AT A JRNL TITL 2 HYDROSTATIC PRESSURE OF 1000 ATMOSPHERES. JRNL REF J.MOL.BIOL. V. 193 157 1987 JRNL REFN ISSN 0022-2836 JRNL PMID 3586017 JRNL DOI 10.1016/0022-2836(87)90634-6 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH C.E.KUNDROT,F.M.RICHARDS REMARK 1 TITL THE EFFECT OF HYDROSTATIC PRESSURE ON THE SOLVENT REMARK 1 TITL 2 IN CRYSTALS OF HEN EGG WHITE LYSOZYME REMARK 1 REF TO BE PUBLISHED REMARK 1 REFN REMARK 1 REFERENCE 2 REMARK 1 AUTH C.E.KUNDROT,F.M.RICHARDS REMARK 1 TITL COLLECTION AND PROCESSING OF X-RAY DIFFRACTION REMARK 1 TITL 2 DATA FROM PROTEIN CRYSTALS AT HIGH PRESSURE REMARK 1 REF J.APPL.CRYSTALLOGR. V. 19 208 1986 REMARK 1 REFN ISSN 0021-8898 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) : 78.70 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : NULL 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) : 0.149 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 : 1001 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 163 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) : 0.015 ; NULL REMARK 3 ANGLE DISTANCE (A) : 0.031 ; NULL REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : NULL ; NULL REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : NULL ; NULL REMARK 3 STAGGERED (DEGREES) : NULL ; NULL REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3LYM COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : NULL REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 40.06 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.05 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+3/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 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 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 19.00000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.34500 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.34500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 28.50000 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.34500 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.34500 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.50000 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.34500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.34500 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 28.50000 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.34500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.34500 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.50000 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 19.00000 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: 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 O HOH A 174 O HOH A 192 1.57 REMARK 500 N ASN A 74 O HOH A 142 1.68 REMARK 500 O HOH A 241 O HOH A 290 1.99 REMARK 500 O HOH A 180 O HOH A 199 2.05 REMARK 500 O HOH A 133 O HOH A 282 2.08 REMARK 500 O HOH A 131 O HOH A 166 2.09 REMARK 500 O HOH A 186 O HOH A 264 2.11 REMARK 500 OD2 ASP A 119 NH2 ARG A 125 2.14 REMARK 500 O HOH A 183 O HOH A 225 2.14 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 171 O HOH A 172 8555 1.22 REMARK 500 O HOH A 150 O HOH A 165 4455 1.51 REMARK 500 O HOH A 259 O HOH A 259 7556 1.81 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 5 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 ASP A 18 CB - CG - OD1 ANGL. DEV. = 8.7 DEGREES REMARK 500 ARG A 21 NE - CZ - NH1 ANGL. DEV. = 4.2 DEGREES REMARK 500 ARG A 21 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES REMARK 500 ARG A 45 NE - CZ - NH2 ANGL. DEV. = -4.1 DEGREES REMARK 500 ASP A 52 CB - CG - OD1 ANGL. DEV. = 8.5 DEGREES REMARK 500 ARG A 61 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 ASP A 66 CB - CG - OD1 ANGL. DEV. = 8.3 DEGREES REMARK 500 ASP A 87 CB - CG - OD1 ANGL. DEV. = 7.2 DEGREES REMARK 500 ARG A 112 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES REMARK 500 ARG A 112 NE - CZ - NH2 ANGL. DEV. = -3.4 DEGREES REMARK 500 ARG A 114 NE - CZ - NH2 ANGL. DEV. = -3.6 DEGREES REMARK 500 ARG A 128 NE - CZ - NH1 ANGL. DEV. = 3.1 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 ARG A 68 22.40 -140.50 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 200 DISTANCE = 5.44 ANGSTROMS REMARK 525 HOH A 274 DISTANCE = 6.10 ANGSTROMS REMARK 525 HOH A 276 DISTANCE = 6.86 ANGSTROMS REMARK 525 HOH A 278 DISTANCE = 5.42 ANGSTROMS REMARK 525 HOH A 283 DISTANCE = 5.07 ANGSTROMS REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2LYM RELATED DB: PDB REMARK 900 DATA COLLECTED AT A PRESSURE OF 1 ATMOSPHERE DBREF 3LYM A 1 129 UNP P00698 LYSC_CHICK 19 147 SEQRES 1 A 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS SEQRES 2 A 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY SEQRES 3 A 129 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE 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 LEU GLN ILE ASN SER ARG TRP TRP CYS ASN SEQRES 6 A 129 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE SEQRES 7 A 129 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER SEQRES 8 A 129 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY SEQRES 9 A 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY SEQRES 10 A 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU FORMUL 2 HOH *163(H2 O) HELIX 1 H1 GLY A 4 GLY A 16 1RESIDUE 16 IS PARTIALLY 3/10 13 HELIX 2 H2 SER A 24 SER A 36 1 13 HELIX 3 H3 PRO A 79 LEU A 83 5 5 HELIX 4 H4 ILE A 88 ASP A 101 1LONG H-BONDS TO 100 AND 101 14 HELIX 5 H5 TRP A 108 CYS A 115 1LONG H-BOND TO 115 8 HELIX 6 H6 ASP A 119 TRP A 123 5MERGES INTO HELIX 7 5 HELIX 7 H7 GLN A 121 ILE A 124 1MERGES INTO HELIX 6 4 SHEET 1 S1 2 LYS A 1 PHE A 3 0 SHEET 2 S1 2 PHE A 38 THR A 40 -1 N THR A 40 O LYS A 1 SHEET 1 S2 3 ALA A 42 ASN A 46 0 SHEET 2 S2 3 SER A 50 GLY A 54 -1 N ASN A 46 O SER A 50 SHEET 3 S2 3 GLN A 57 SER A 60 -1 N TYR A 53 O ILE A 58 SSBOND 1 CYS A 6 CYS A 127 1555 1555 2.08 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.05 SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.16 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.06 CRYST1 78.690 78.690 38.000 90.00 90.00 90.00 P 43 21 2 8 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 0.012708 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012708 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026316 0.00000 ATOM 1 N LYS A 1 3.264 10.088 10.412 1.00 13.54 N ATOM 2 CA LYS A 1 2.392 10.356 9.244 1.00 12.47 C ATOM 3 C LYS A 1 2.363 11.867 9.020 1.00 16.83 C ATOM 4 O LYS A 1 2.339 12.648 9.999 1.00 16.30 O ATOM 5 CB LYS A 1 0.965 9.861 9.544 1.00 12.92 C ATOM 6 CG LYS A 1 -0.020 10.317 8.472 1.00 16.80 C ATOM 7 CD LYS A 1 -1.447 9.908 8.825 1.00 23.67 C ATOM 8 CE LYS A 1 -2.379 10.381 7.673 1.00 24.30 C ATOM 9 NZ LYS A 1 -3.787 10.126 8.123 1.00 37.90 N ATOM 10 N VAL A 2 2.400 12.282 7.787 1.00 13.04 N ATOM 11 CA VAL A 2 2.406 13.702 7.383 1.00 14.80 C ATOM 12 C VAL A 2 0.980 13.994 6.856 1.00 19.85 C ATOM 13 O VAL A 2 0.557 13.461 5.805 1.00 17.53 O ATOM 14 CB VAL A 2 3.467 14.023 6.332 1.00 13.72 C ATOM 15 CG1 VAL A 2 3.417 15.506 5.915 1.00 25.09 C ATOM 16 CG2 VAL A 2 4.898 13.724 6.757 1.00 15.96 C ATOM 17 N PHE A 3 0.304 14.836 7.593 1.00 12.66 N ATOM 18 CA PHE A 3 -1.097 15.158 7.219 1.00 16.27 C ATOM 19 C PHE A 3 -1.082 16.226 6.124 1.00 11.18 C ATOM 20 O PHE A 3 -0.200 17.092 6.129 1.00 19.24 O ATOM 21 CB PHE A 3 -1.870 15.602 8.450 1.00 14.10 C ATOM 22 CG PHE A 3 -2.427 14.528 9.363 1.00 12.07 C ATOM 23 CD1 PHE A 3 -3.755 14.153 9.186 1.00 10.38 C ATOM 24 CD2 PHE A 3 -1.679 13.911 10.348 1.00 17.43 C ATOM 25 CE1 PHE A 3 -4.369 13.176 9.952 1.00 15.17 C ATOM 26 CE2 PHE A 3 -2.266 12.940 11.178 1.00 14.78 C ATOM 27 CZ PHE A 3 -3.605 12.578 10.975 1.00 21.35 C ATOM 28 N GLY A 4 -2.139 16.161 5.324 1.00 16.43 N ATOM 29 CA GLY A 4 -2.536 17.269 4.434 1.00 11.23 C ATOM 30 C GLY A 4 -3.407 18.205 5.319 1.00 15.48 C ATOM 31 O GLY A 4 -3.939 17.745 6.341 1.00 17.37 O ATOM 32 N ARG A 5 -3.525 19.431 4.913 1.00 17.20 N ATOM 33 CA ARG A 5 -4.240 20.484 5.669 1.00 13.20 C ATOM 34 C ARG A 5 -5.648 20.099 5.987 1.00 14.83 C ATOM 35 O ARG A 5 -6.004 20.111 7.177 1.00 13.13 O ATOM 36 CB ARG A 5 -4.079 21.821 4.956 1.00 10.96 C ATOM 37 CG ARG A 5 -4.914 22.965 5.497 1.00 11.23 C ATOM 38 CD ARG A 5 -4.564 24.200 4.683 1.00 12.80 C ATOM 39 NE ARG A 5 -4.997 24.011 3.291 1.00 17.50 N ATOM 40 CZ ARG A 5 -6.225 24.357 2.857 1.00 24.75 C ATOM 41 NH1 ARG A 5 -7.167 24.899 3.634 1.00 15.03 N ATOM 42 NH2 ARG A 5 -6.558 24.117 1.577 1.00 18.66 N ATOM 43 N CYS A 6 -6.478 19.779 4.985 1.00 18.00 N ATOM 44 CA CYS A 6 -7.907 19.477 5.164 1.00 19.81 C ATOM 45 C CYS A 6 -8.128 18.162 5.895 1.00 18.19 C ATOM 46 O CYS A 6 -9.102 18.015 6.698 1.00 15.61 O ATOM 47 CB CYS A 6 -8.639 19.501 3.788 1.00 22.04 C ATOM 48 SG CYS A 6 -8.706 21.154 3.044 1.00 18.98 S ATOM 49 N GLU A 7 -7.253 17.209 5.655 1.00 19.37 N ATOM 50 CA GLU A 7 -7.306 15.897 6.357 1.00 13.48 C ATOM 51 C GLU A 7 -7.137 16.094 7.860 1.00 16.05 C ATOM 52 O GLU A 7 -7.899 15.582 8.688 1.00 12.51 O ATOM 53 CB GLU A 7 -6.207 14.979 5.863 1.00 17.39 C ATOM 54 CG GLU A 7 -6.099 13.562 6.426 1.00 15.96 C ATOM 55 CD GLU A 7 -4.879 12.804 5.930 1.00 27.35 C ATOM 56 OE1 GLU A 7 -3.942 13.370 5.429 1.00 17.14 O ATOM 57 OE2 GLU A 7 -4.887 11.553 6.022 1.00 20.28 O ATOM 58 N LEU A 8 -6.123 16.903 8.218 1.00 10.83 N ATOM 59 CA LEU A 8 -5.934 17.190 9.656 1.00 8.57 C ATOM 60 C LEU A 8 -7.100 17.941 10.248 1.00 9.89 C ATOM 61 O LEU A 8 -7.479 17.722 11.421 1.00 15.30 O ATOM 62 CB LEU A 8 -4.588 17.926 9.880 1.00 11.85 C ATOM 63 CG LEU A 8 -4.360 18.196 11.394 1.00 11.14 C ATOM 64 CD1 LEU A 8 -4.037 16.860 12.081 1.00 10.72 C ATOM 65 CD2 LEU A 8 -3.204 19.170 11.572 1.00 10.65 C ATOM 66 N ALA A 9 -7.585 18.915 9.523 1.00 11.56 N ATOM 67 CA ALA A 9 -8.710 19.730 10.027 1.00 12.69 C ATOM 68 C ALA A 9 -9.862 18.787 10.319 1.00 12.75 C ATOM 69 O ALA A 9 -10.524 18.858 11.355 1.00 14.98 O ATOM 70 CB ALA A 9 -9.045 20.783 8.956 1.00 8.86 C ATOM 71 N ALA A 10 -10.114 17.861 9.414 1.00 18.29 N ATOM 72 CA ALA A 10 -11.225 16.911 9.561 1.00 13.56 C ATOM 73 C ALA A 10 -11.005 16.015 10.765 1.00 15.65 C ATOM 74 O ALA A 10 -11.923 15.695 11.524 1.00 17.68 O ATOM 75 CB ALA A 10 -11.335 16.037 8.293 1.00 17.94 C ATOM 76 N ALA A 11 -9.802 15.520 10.963 1.00 10.38 N ATOM 77 CA ALA A 11 -9.488 14.692 12.148 1.00 12.42 C ATOM 78 C ALA A 11 -9.640 15.470 13.447 1.00 10.47 C ATOM 79 O ALA A 11 -10.146 14.954 14.451 1.00 12.58 O ATOM 80 CB ALA A 11 -8.055 14.167 11.978 1.00 24.81 C ATOM 81 N MET A 12 -9.111 16.712 13.457 1.00 12.26 N ATOM 82 CA MET A 12 -9.185 17.544 14.685 1.00 12.82 C ATOM 83 C MET A 12 -10.651 17.852 15.011 1.00 16.04 C ATOM 84 O MET A 12 -11.050 17.790 16.181 1.00 15.41 O ATOM 85 CB MET A 12 -8.378 18.827 14.528 1.00 9.62 C ATOM 86 CG MET A 12 -6.885 18.574 14.681 1.00 10.30 C ATOM 87 SD MET A 12 -6.057 20.189 14.307 1.00 13.47 S ATOM 88 CE MET A 12 -4.524 20.024 15.209 1.00 8.56 C ATOM 89 N LYS A 13 -11.423 18.145 13.978 1.00 16.29 N ATOM 90 CA LYS A 13 -12.872 18.471 14.170 1.00 17.79 C ATOM 91 C LYS A 13 -13.562 17.289 14.814 1.00 17.81 C ATOM 92 O LYS A 13 -14.340 17.393 15.794 1.00 16.67 O ATOM 93 CB LYS A 13 -13.560 18.762 12.819 1.00 21.80 C ATOM 94 CG LYS A 13 -14.918 19.445 13.010 1.00 25.05 C ATOM 95 CD LYS A 13 -15.858 19.346 11.846 1.00 29.45 C ATOM 96 CE LYS A 13 -17.244 19.858 12.242 1.00 37.95 C ATOM 97 NZ LYS A 13 -17.837 20.682 11.161 1.00 39.85 N ATOM 98 N ARG A 14 -13.259 16.112 14.244 1.00 17.11 N ATOM 99 CA ARG A 14 -13.844 14.855 14.727 1.00 16.07 C ATOM 100 C ARG A 14 -13.483 14.565 16.178 1.00 23.87 C ATOM 101 O ARG A 14 -14.267 13.986 16.960 1.00 19.53 O ATOM 102 CB ARG A 14 -13.380 13.689 13.841 1.00 20.98 C ATOM 103 CG ARG A 14 -13.964 12.364 14.330 1.00 30.65 C ATOM 104 CD ARG A 14 -13.550 11.242 13.422 1.00 32.34 C ATOM 105 NE ARG A 14 -13.453 10.016 14.226 1.00 41.59 N ATOM 106 CZ ARG A 14 -12.323 9.358 14.432 1.00 41.58 C ATOM 107 NH1 ARG A 14 -11.171 9.714 13.863 1.00 39.54 N ATOM 108 NH2 ARG A 14 -12.353 8.332 15.284 1.00 42.46 N ATOM 109 N HIS A 15 -12.256 14.952 16.537 1.00 19.14 N ATOM 110 CA HIS A 15 -11.772 14.712 17.906 1.00 15.93 C ATOM 111 C HIS A 15 -12.183 15.797 18.890 1.00 15.35 C ATOM 112 O HIS A 15 -11.673 15.787 20.042 1.00 18.17 O ATOM 113 CB HIS A 15 -10.265 14.475 17.928 1.00 16.51 C ATOM 114 CG HIS A 15 -9.912 13.080 17.520 1.00 17.64 C ATOM 115 ND1 HIS A 15 -9.542 12.742 16.244 1.00 19.46 N ATOM 116 CD2 HIS A 15 -9.926 11.941 18.253 1.00 17.90 C ATOM 117 CE1 HIS A 15 -9.266 11.433 16.222 1.00 19.68 C ATOM 118 NE2 HIS A 15 -9.523 10.938 17.413 1.00 31.37 N ATOM 119 N GLY A 16 -13.056 16.692 18.502 1.00 15.67 N ATOM 120 CA GLY A 16 -13.651 17.751 19.269 1.00 16.32 C ATOM 121 C GLY A 16 -12.866 19.029 19.471 1.00 18.33 C ATOM 122 O GLY A 16 -13.166 19.800 20.415 1.00 18.73 O ATOM 123 N LEU A 17 -11.907 19.341 18.612 1.00 20.44 N ATOM 124 CA LEU A 17 -11.130 20.574 18.768 1.00 21.59 C ATOM 125 C LEU A 17 -11.783 21.804 18.183 1.00 20.88 C ATOM 126 O LEU A 17 -11.321 22.893 18.647 1.00 23.31 O ATOM 127 CB LEU A 17 -9.708 20.388 18.259 1.00 15.18 C ATOM 128 CG LEU A 17 -8.671 19.740 19.104 1.00 12.43 C ATOM 129 CD1 LEU A 17 -7.295 19.903 18.453 1.00 20.16 C ATOM 130 CD2 LEU A 17 -8.646 20.266 20.543 1.00 12.74 C ATOM 131 N ASP A 18 -12.700 21.756 17.248 1.00 20.31 N ATOM 132 CA ASP A 18 -13.314 23.008 16.726 1.00 19.34 C ATOM 133 C ASP A 18 -14.037 23.711 17.898 1.00 22.19 C ATOM 134 O ASP A 18 -14.921 23.093 18.527 1.00 18.28 O ATOM 135 CB ASP A 18 -14.256 22.805 15.559 1.00 25.26 C ATOM 136 CG ASP A 18 -14.772 24.076 14.921 1.00 28.78 C ATOM 137 OD1 ASP A 18 -14.260 25.230 15.000 1.00 19.14 O ATOM 138 OD2 ASP A 18 -15.789 23.909 14.175 1.00 29.99 O ATOM 139 N ASN A 19 -13.650 24.952 18.095 1.00 17.54 N ATOM 140 CA ASN A 19 -14.136 25.822 19.169 1.00 13.84 C ATOM 141 C ASN A 19 -13.848 25.315 20.565 1.00 15.43 C ATOM 142 O ASN A 19 -14.479 25.784 21.552 1.00 20.19 O ATOM 143 CB ASN A 19 -15.616 26.101 18.926 1.00 25.35 C ATOM 144 CG ASN A 19 -15.974 26.830 17.658 1.00 32.92 C ATOM 145 OD1 ASN A 19 -17.013 26.504 17.041 1.00 43.04 O ATOM 146 ND2 ASN A 19 -15.220 27.826 17.222 1.00 36.27 N ATOM 147 N TYR A 20 -12.941 24.352 20.758 1.00 18.98 N ATOM 148 CA TYR A 20 -12.587 23.945 22.148 1.00 14.88 C ATOM 149 C TYR A 20 -11.944 25.133 22.879 1.00 17.17 C ATOM 150 O TYR A 20 -10.951 25.734 22.429 1.00 14.34 O ATOM 151 CB TYR A 20 -11.663 22.711 22.098 1.00 14.91 C ATOM 152 CG TYR A 20 -11.520 22.077 23.463 1.00 19.30 C ATOM 153 CD1 TYR A 20 -12.423 21.116 23.909 1.00 16.64 C ATOM 154 CD2 TYR A 20 -10.501 22.509 24.312 1.00 17.69 C ATOM 155 CE1 TYR A 20 -12.305 20.558 25.190 1.00 21.73 C ATOM 156 CE2 TYR A 20 -10.382 21.974 25.590 1.00 14.93 C ATOM 157 CZ TYR A 20 -11.270 21.003 26.008 1.00 21.82 C ATOM 158 OH TYR A 20 -11.110 20.553 27.287 1.00 23.24 O ATOM 159 N ARG A 21 -12.470 25.511 24.023 1.00 15.70 N ATOM 160 CA ARG A 21 -12.132 26.676 24.837 1.00 13.35 C ATOM 161 C ARG A 21 -12.160 27.964 24.042 1.00 12.39 C ATOM 162 O ARG A 21 -11.374 28.886 24.344 1.00 14.64 O ATOM 163 CB ARG A 21 -10.745 26.635 25.472 1.00 18.26 C ATOM 164 CG ARG A 21 -10.545 25.464 26.463 1.00 24.62 C ATOM 165 CD ARG A 21 -11.603 25.594 27.504 1.00 38.10 C ATOM 166 NE ARG A 21 -11.266 25.226 28.836 1.00 49.11 N ATOM 167 CZ ARG A 21 -11.550 24.151 29.551 1.00 51.64 C ATOM 168 NH1 ARG A 21 -12.212 23.094 29.091 1.00 45.45 N ATOM 169 NH2 ARG A 21 -11.216 24.174 30.861 1.00 56.06 N ATOM 170 N GLY A 22 -13.035 28.042 23.072 1.00 9.08 N ATOM 171 CA GLY A 22 -13.218 29.182 22.214 1.00 8.52 C ATOM 172 C GLY A 22 -12.256 29.317 21.057 1.00 8.75 C ATOM 173 O GLY A 22 -12.212 30.371 20.413 1.00 16.15 O ATOM 174 N TYR A 23 -11.434 28.281 20.796 1.00 12.10 N ATOM 175 CA TYR A 23 -10.467 28.358 19.676 1.00 8.29 C ATOM 176 C TYR A 23 -11.009 27.575 18.486 1.00 11.77 C ATOM 177 O TYR A 23 -11.103 26.330 18.507 1.00 12.74 O ATOM 178 CB TYR A 23 -9.101 27.749 20.125 1.00 6.12 C ATOM 179 CG TYR A 23 -8.396 28.625 21.152 1.00 6.35 C ATOM 180 CD1 TYR A 23 -7.567 29.664 20.764 1.00 13.83 C ATOM 181 CD2 TYR A 23 -8.558 28.370 22.525 1.00 2.00 C ATOM 182 CE1 TYR A 23 -6.926 30.470 21.703 1.00 12.61 C ATOM 183 CE2 TYR A 23 -7.970 29.198 23.460 1.00 8.90 C ATOM 184 CZ TYR A 23 -7.135 30.216 23.056 1.00 7.26 C ATOM 185 OH TYR A 23 -6.493 31.016 24.015 1.00 8.01 O ATOM 186 N SER A 24 -11.310 28.345 17.462 1.00 14.55 N ATOM 187 CA SER A 24 -11.855 27.801 16.192 1.00 11.66 C ATOM 188 C SER A 24 -10.867 26.851 15.568 1.00 16.78 C ATOM 189 O SER A 24 -9.648 26.889 15.856 1.00 11.09 O ATOM 190 CB SER A 24 -12.247 28.961 15.268 1.00 13.52 C ATOM 191 OG SER A 24 -11.020 29.526 14.751 1.00 18.06 O ATOM 192 N LEU A 25 -11.402 25.974 14.683 1.00 16.36 N ATOM 193 CA LEU A 25 -10.591 24.931 14.071 1.00 9.83 C ATOM 194 C LEU A 25 -9.306 25.514 13.464 1.00 10.34 C ATOM 195 O LEU A 25 -8.242 24.882 13.548 1.00 12.67 O ATOM 196 CB LEU A 25 -11.376 24.187 12.997 1.00 13.03 C ATOM 197 CG LEU A 25 -11.496 22.687 12.981 1.00 23.91 C ATOM 198 CD1 LEU A 25 -11.818 22.172 11.590 1.00 22.76 C ATOM 199 CD2 LEU A 25 -10.310 21.958 13.566 1.00 17.84 C ATOM 200 N GLY A 26 -9.442 26.644 12.797 1.00 13.35 N ATOM 201 CA GLY A 26 -8.327 27.248 12.049 1.00 11.27 C ATOM 202 C GLY A 26 -7.097 27.471 12.940 1.00 14.58 C ATOM 203 O GLY A 26 -5.975 27.463 12.428 1.00 16.84 O ATOM 204 N ASN A 27 -7.296 27.710 14.215 1.00 9.42 N ATOM 205 CA ASN A 27 -6.208 28.070 15.161 1.00 7.62 C ATOM 206 C ASN A 27 -5.381 26.798 15.400 1.00 5.54 C ATOM 207 O ASN A 27 -4.154 26.873 15.404 1.00 8.71 O ATOM 208 CB ASN A 27 -6.725 28.555 16.512 1.00 6.21 C ATOM 209 CG ASN A 27 -7.144 30.022 16.488 1.00 12.00 C ATOM 210 OD1 ASN A 27 -6.284 30.871 16.508 1.00 11.54 O ATOM 211 ND2 ASN A 27 -8.439 30.282 16.403 1.00 12.25 N ATOM 212 N TRP A 28 -6.135 25.693 15.476 1.00 7.97 N ATOM 213 CA TRP A 28 -5.508 24.375 15.750 1.00 8.54 C ATOM 214 C TRP A 28 -4.695 23.921 14.549 1.00 11.02 C ATOM 215 O TRP A 28 -3.605 23.353 14.747 1.00 8.07 O ATOM 216 CB TRP A 28 -6.583 23.375 16.185 1.00 11.40 C ATOM 217 CG TRP A 28 -7.222 23.693 17.503 1.00 9.20 C ATOM 218 CD1 TRP A 28 -8.454 24.243 17.728 1.00 14.16 C ATOM 219 CD2 TRP A 28 -6.603 23.542 18.793 1.00 14.16 C ATOM 220 NE1 TRP A 28 -8.641 24.429 19.090 1.00 12.81 N ATOM 221 CE2 TRP A 28 -7.540 23.982 19.758 1.00 12.54 C ATOM 222 CE3 TRP A 28 -5.388 22.985 19.228 1.00 8.34 C ATOM 223 CZ2 TRP A 28 -7.262 23.933 21.120 1.00 17.56 C ATOM 224 CZ3 TRP A 28 -5.106 22.943 20.566 1.00 15.28 C ATOM 225 CH2 TRP A 28 -6.020 23.414 21.501 1.00 12.75 C ATOM 226 N VAL A 29 -5.253 24.063 13.343 1.00 9.68 N ATOM 227 CA VAL A 29 -4.532 23.656 12.115 1.00 9.02 C ATOM 228 C VAL A 29 -3.313 24.529 11.879 1.00 10.33 C ATOM 229 O VAL A 29 -2.268 24.019 11.428 1.00 10.77 O ATOM 230 CB VAL A 29 -5.469 23.660 10.874 1.00 14.33 C ATOM 231 CG1 VAL A 29 -4.715 23.486 9.571 1.00 15.97 C ATOM 232 CG2 VAL A 29 -6.612 22.674 11.020 1.00 11.42 C ATOM 233 N CYS A 30 -3.412 25.818 12.167 1.00 3.69 N ATOM 234 CA CYS A 30 -2.352 26.777 12.040 1.00 6.93 C ATOM 235 C CYS A 30 -1.223 26.377 13.001 1.00 12.50 C ATOM 236 O CYS A 30 -0.050 26.359 12.616 1.00 9.77 O ATOM 237 CB CYS A 30 -2.845 28.224 12.257 1.00 2.00 C ATOM 238 SG CYS A 30 -1.616 29.483 12.071 1.00 10.28 S ATOM 239 N ALA A 31 -1.583 26.048 14.223 1.00 9.75 N ATOM 240 CA ALA A 31 -0.654 25.671 15.272 1.00 10.70 C ATOM 241 C ALA A 31 0.145 24.436 14.824 1.00 11.34 C ATOM 242 O ALA A 31 1.372 24.446 14.982 1.00 11.99 O ATOM 243 CB ALA A 31 -1.385 25.360 16.589 1.00 11.95 C ATOM 244 N ALA A 32 -0.600 23.451 14.327 1.00 7.96 N ATOM 245 CA ALA A 32 0.077 22.218 13.871 1.00 12.21 C ATOM 246 C ALA A 32 1.018 22.530 12.722 1.00 11.26 C ATOM 247 O ALA A 32 2.137 22.000 12.686 1.00 11.08 O ATOM 248 CB ALA A 32 -0.968 21.198 13.420 1.00 13.43 C ATOM 249 N LYS A 33 0.537 23.302 11.760 1.00 8.38 N ATOM 250 CA LYS A 33 1.405 23.658 10.576 1.00 11.49 C ATOM 251 C LYS A 33 2.758 24.200 11.015 1.00 9.65 C ATOM 252 O LYS A 33 3.863 23.719 10.648 1.00 11.99 O ATOM 253 CB LYS A 33 0.710 24.740 9.763 1.00 13.67 C ATOM 254 CG LYS A 33 1.530 25.290 8.579 1.00 17.81 C ATOM 255 CD LYS A 33 1.810 24.180 7.580 1.00 18.99 C ATOM 256 CE LYS A 33 2.880 24.532 6.575 1.00 34.62 C ATOM 257 NZ LYS A 33 2.832 23.577 5.421 1.00 34.25 N ATOM 258 N PHE A 34 2.717 25.176 11.913 1.00 8.25 N ATOM 259 CA PHE A 34 4.009 25.812 12.336 1.00 9.51 C ATOM 260 C PHE A 34 4.738 25.076 13.429 1.00 14.51 C ATOM 261 O PHE A 34 5.988 25.253 13.593 1.00 10.70 O ATOM 262 CB PHE A 34 3.769 27.291 12.569 1.00 8.45 C ATOM 263 CG PHE A 34 3.269 27.981 11.326 1.00 6.78 C ATOM 264 CD1 PHE A 34 2.075 28.689 11.343 1.00 12.18 C ATOM 265 CD2 PHE A 34 4.105 28.009 10.200 1.00 9.32 C ATOM 266 CE1 PHE A 34 1.661 29.378 10.213 1.00 18.11 C ATOM 267 CE2 PHE A 34 3.682 28.680 9.031 1.00 12.52 C ATOM 268 CZ PHE A 34 2.450 29.361 9.067 1.00 15.40 C ATOM 269 N GLU A 35 4.065 24.279 14.249 1.00 10.20 N ATOM 270 CA GLU A 35 4.829 23.518 15.295 1.00 9.01 C ATOM 271 C GLU A 35 5.579 22.344 14.681 1.00 16.37 C ATOM 272 O GLU A 35 6.741 22.072 15.050 1.00 11.56 O ATOM 273 CB GLU A 35 3.821 23.001 16.317 1.00 9.18 C ATOM 274 CG GLU A 35 3.268 24.145 17.270 1.00 8.78 C ATOM 275 CD GLU A 35 4.397 24.675 18.143 1.00 15.93 C ATOM 276 OE1 GLU A 35 5.469 24.128 18.218 1.00 15.88 O ATOM 277 OE2 GLU A 35 4.142 25.724 18.756 1.00 16.10 O ATOM 278 N SER A 36 4.931 21.636 13.748 1.00 13.30 N ATOM 279 CA SER A 36 5.445 20.369 13.220 1.00 13.31 C ATOM 280 C SER A 36 5.376 20.146 11.725 1.00 16.22 C ATOM 281 O SER A 36 5.804 19.036 11.280 1.00 12.31 O ATOM 282 CB SER A 36 4.608 19.227 13.834 1.00 19.32 C ATOM 283 OG SER A 36 3.298 19.230 13.249 1.00 10.78 O ATOM 284 N ASN A 37 4.839 21.114 11.030 1.00 13.09 N ATOM 285 CA ASN A 37 4.554 21.020 9.583 1.00 13.82 C ATOM 286 C ASN A 37 3.669 19.790 9.335 1.00 16.80 C ATOM 287 O ASN A 37 3.899 19.049 8.370 1.00 12.24 O ATOM 288 CB ASN A 37 5.843 21.013 8.797 1.00 22.45 C ATOM 289 CG ASN A 37 5.742 21.364 7.339 1.00 26.98 C ATOM 290 OD1 ASN A 37 4.943 22.242 6.932 1.00 29.14 O ATOM 291 ND2 ASN A 37 6.568 20.680 6.533 1.00 35.72 N ATOM 292 N PHE A 38 2.733 19.563 10.202 1.00 9.81 N ATOM 293 CA PHE A 38 1.740 18.467 10.068 1.00 10.66 C ATOM 294 C PHE A 38 2.400 17.087 10.150 1.00 13.04 C ATOM 295 O PHE A 38 1.750 16.120 9.686 1.00 13.74 O ATOM 296 CB PHE A 38 1.020 18.553 8.725 1.00 10.28 C ATOM 297 CG PHE A 38 0.227 19.812 8.465 1.00 7.86 C ATOM 298 CD1 PHE A 38 -0.443 20.405 9.523 1.00 9.58 C ATOM 299 CD2 PHE A 38 0.159 20.320 7.177 1.00 13.33 C ATOM 300 CE1 PHE A 38 -1.208 21.553 9.296 1.00 14.27 C ATOM 301 CE2 PHE A 38 -0.613 21.483 6.918 1.00 16.16 C ATOM 302 CZ PHE A 38 -1.275 22.089 8.011 1.00 10.73 C ATOM 303 N ASN A 39 3.537 17.002 10.759 1.00 12.88 N ATOM 304 CA ASN A 39 4.228 15.639 10.836 1.00 11.75 C ATOM 305 C ASN A 39 4.001 15.056 12.211 1.00 11.87 C ATOM 306 O ASN A 39 4.529 15.703 13.153 1.00 12.34 O ATOM 307 CB ASN A 39 5.740 15.851 10.609 1.00 7.29 C ATOM 308 CG ASN A 39 6.471 14.513 10.500 1.00 11.38 C ATOM 309 OD1 ASN A 39 5.889 13.453 10.719 1.00 11.60 O ATOM 310 ND2 ASN A 39 7.746 14.586 10.084 1.00 19.70 N ATOM 311 N THR A 40 3.341 13.935 12.381 1.00 4.11 N ATOM 312 CA THR A 40 3.168 13.382 13.746 1.00 11.19 C ATOM 313 C THR A 40 4.496 12.922 14.358 1.00 8.76 C ATOM 314 O THR A 40 4.553 12.731 15.584 1.00 14.04 O ATOM 315 CB THR A 40 2.164 12.166 13.701 1.00 18.80 C ATOM 316 OG1 THR A 40 2.874 11.151 12.912 1.00 11.88 O ATOM 317 CG2 THR A 40 0.781 12.519 13.146 1.00 14.14 C ATOM 318 N GLN A 41 5.518 12.733 13.532 1.00 7.20 N ATOM 319 CA GLN A 41 6.759 12.138 14.138 1.00 7.92 C ATOM 320 C GLN A 41 7.739 13.247 14.474 1.00 8.41 C ATOM 321 O GLN A 41 8.881 12.872 14.827 1.00 13.60 O ATOM 322 CB GLN A 41 7.393 11.163 13.127 1.00 13.63 C ATOM 323 CG GLN A 41 6.491 9.943 12.913 1.00 11.23 C ATOM 324 CD GLN A 41 7.251 8.866 12.166 1.00 17.03 C ATOM 325 OE1 GLN A 41 8.148 8.266 12.762 1.00 17.42 O ATOM 326 NE2 GLN A 41 6.934 8.701 10.899 1.00 14.56 N ATOM 327 N ALA A 42 7.298 14.467 14.440 1.00 9.50 N ATOM 328 CA ALA A 42 8.239 15.606 14.688 1.00 9.41 C ATOM 329 C ALA A 42 8.676 15.576 16.168 1.00 9.64 C ATOM 330 O ALA A 42 7.834 15.425 17.056 1.00 7.67 O ATOM 331 CB ALA A 42 7.574 16.921 14.377 1.00 12.13 C ATOM 332 N THR A 43 9.958 15.717 16.381 1.00 10.54 N ATOM 333 CA THR A 43 10.541 15.859 17.717 1.00 13.26 C ATOM 334 C THR A 43 11.529 17.013 17.657 1.00 14.43 C ATOM 335 O THR A 43 12.126 17.304 16.582 1.00 14.07 O ATOM 336 CB THR A 43 11.224 14.543 18.262 1.00 13.11 C ATOM 337 OG1 THR A 43 12.351 14.250 17.332 1.00 13.02 O ATOM 338 CG2 THR A 43 10.370 13.317 18.436 1.00 3.67 C ATOM 339 N ASN A 44 11.641 17.697 18.788 1.00 14.25 N ATOM 340 CA ASN A 44 12.627 18.788 18.940 1.00 12.59 C ATOM 341 C ASN A 44 13.122 18.848 20.377 1.00 10.96 C ATOM 342 O ASN A 44 12.271 18.928 21.273 1.00 14.10 O ATOM 343 CB ASN A 44 11.933 20.111 18.552 1.00 21.86 C ATOM 344 CG ASN A 44 11.872 20.191 17.016 1.00 41.69 C ATOM 345 OD1 ASN A 44 12.946 20.192 16.378 1.00 42.71 O ATOM 346 ND2 ASN A 44 10.666 20.271 16.472 1.00 34.43 N ATOM 347 N ARG A 45 14.412 18.970 20.532 1.00 10.83 N ATOM 348 CA ARG A 45 14.986 19.007 21.930 1.00 12.55 C ATOM 349 C ARG A 45 15.161 20.447 22.347 1.00 17.40 C ATOM 350 O ARG A 45 15.557 21.223 21.473 1.00 16.71 O ATOM 351 CB ARG A 45 16.327 18.289 21.858 1.00 18.98 C ATOM 352 CG ARG A 45 17.088 18.226 23.191 1.00 24.62 C ATOM 353 CD ARG A 45 16.389 17.227 24.047 1.00 30.44 C ATOM 354 NE ARG A 45 17.286 16.402 24.814 1.00 40.33 N ATOM 355 CZ ARG A 45 18.144 15.539 24.258 1.00 43.85 C ATOM 356 NH1 ARG A 45 18.261 15.414 22.941 1.00 39.87 N ATOM 357 NH2 ARG A 45 18.832 14.773 25.096 1.00 38.61 N ATOM 358 N ASN A 46 14.876 20.792 23.599 1.00 14.42 N ATOM 359 CA ASN A 46 15.106 22.151 24.117 1.00 21.58 C ATOM 360 C ASN A 46 16.367 22.215 24.979 1.00 19.45 C ATOM 361 O ASN A 46 16.928 21.198 25.387 1.00 19.73 O ATOM 362 CB ASN A 46 13.870 22.634 24.907 1.00 18.64 C ATOM 363 CG ASN A 46 12.610 22.310 24.104 1.00 15.61 C ATOM 364 OD1 ASN A 46 11.629 21.786 24.638 1.00 25.93 O ATOM 365 ND2 ASN A 46 12.655 22.672 22.842 1.00 22.85 N ATOM 366 N THR A 47 16.751 23.452 25.280 1.00 24.28 N ATOM 367 CA THR A 47 18.001 23.696 26.044 1.00 26.38 C ATOM 368 C THR A 47 17.897 23.081 27.419 1.00 19.14 C ATOM 369 O THR A 47 18.882 22.513 27.917 1.00 24.56 O ATOM 370 CB THR A 47 18.399 25.225 26.067 1.00 24.09 C ATOM 371 OG1 THR A 47 17.321 25.942 26.748 1.00 31.61 O ATOM 372 CG2 THR A 47 18.586 25.785 24.653 1.00 25.03 C ATOM 373 N ASP A 48 16.723 23.187 28.010 1.00 19.63 N ATOM 374 CA ASP A 48 16.497 22.641 29.371 1.00 16.39 C ATOM 375 C ASP A 48 16.583 21.122 29.437 1.00 18.20 C ATOM 376 O ASP A 48 16.583 20.544 30.554 1.00 19.90 O ATOM 377 CB ASP A 48 15.204 23.213 29.961 1.00 19.30 C ATOM 378 CG ASP A 48 13.996 22.654 29.219 1.00 22.48 C ATOM 379 OD1 ASP A 48 14.182 21.929 28.229 1.00 20.20 O ATOM 380 OD2 ASP A 48 12.859 22.894 29.639 1.00 21.78 O ATOM 381 N GLY A 49 16.704 20.441 28.312 1.00 19.65 N ATOM 382 CA GLY A 49 16.811 18.989 28.242 1.00 18.81 C ATOM 383 C GLY A 49 15.462 18.322 28.042 1.00 15.09 C ATOM 384 O GLY A 49 15.394 17.072 27.967 1.00 16.99 O ATOM 385 N SER A 50 14.397 19.105 27.976 1.00 9.79 N ATOM 386 CA SER A 50 13.058 18.521 27.703 1.00 7.93 C ATOM 387 C SER A 50 12.940 18.321 26.191 1.00 12.96 C ATOM 388 O SER A 50 13.762 18.912 25.463 1.00 10.92 O ATOM 389 CB SER A 50 11.973 19.503 28.181 1.00 8.92 C ATOM 390 OG SER A 50 12.074 20.730 27.447 1.00 11.01 O ATOM 391 N THR A 51 11.915 17.587 25.741 1.00 10.41 N ATOM 392 CA THR A 51 11.715 17.415 24.292 1.00 8.15 C ATOM 393 C THR A 51 10.243 17.593 23.920 1.00 10.39 C ATOM 394 O THR A 51 9.413 17.206 24.756 1.00 8.49 O ATOM 395 CB THR A 51 12.171 15.954 23.861 1.00 15.20 C ATOM 396 OG1 THR A 51 13.597 15.887 24.191 1.00 9.55 O ATOM 397 CG2 THR A 51 11.960 15.709 22.381 1.00 11.40 C ATOM 398 N ASP A 52 10.005 18.156 22.765 1.00 7.10 N ATOM 399 CA ASP A 52 8.655 18.445 22.228 1.00 9.56 C ATOM 400 C ASP A 52 8.322 17.333 21.209 1.00 7.50 C ATOM 401 O ASP A 52 9.181 16.924 20.459 1.00 8.56 O ATOM 402 CB ASP A 52 8.635 19.809 21.542 1.00 7.46 C ATOM 403 CG ASP A 52 8.903 20.967 22.457 1.00 17.11 C ATOM 404 OD1 ASP A 52 8.853 20.961 23.680 1.00 17.10 O ATOM 405 OD2 ASP A 52 9.117 22.046 21.852 1.00 24.11 O ATOM 406 N TYR A 53 7.062 16.903 21.216 1.00 8.82 N ATOM 407 CA TYR A 53 6.715 15.669 20.522 1.00 7.91 C ATOM 408 C TYR A 53 5.408 15.798 19.750 1.00 11.37 C ATOM 409 O TYR A 53 4.417 16.310 20.300 1.00 8.22 O ATOM 410 CB TYR A 53 6.437 14.546 21.582 1.00 8.54 C ATOM 411 CG TYR A 53 7.658 14.000 22.236 1.00 6.99 C ATOM 412 CD1 TYR A 53 8.371 12.898 21.737 1.00 8.93 C ATOM 413 CD2 TYR A 53 8.154 14.673 23.369 1.00 11.78 C ATOM 414 CE1 TYR A 53 9.509 12.420 22.382 1.00 9.09 C ATOM 415 CE2 TYR A 53 9.292 14.211 23.995 1.00 9.85 C ATOM 416 CZ TYR A 53 9.998 13.115 23.463 1.00 6.68 C ATOM 417 OH TYR A 53 11.120 12.780 24.167 1.00 11.17 O ATOM 418 N GLY A 54 5.485 15.312 18.533 1.00 8.23 N ATOM 419 CA GLY A 54 4.290 15.141 17.723 1.00 8.96 C ATOM 420 C GLY A 54 3.824 16.391 17.009 1.00 10.20 C ATOM 421 O GLY A 54 4.469 17.431 16.938 1.00 9.49 O ATOM 422 N ILE A 55 2.590 16.209 16.491 1.00 8.78 N ATOM 423 CA ILE A 55 1.919 17.240 15.710 1.00 13.63 C ATOM 424 C ILE A 55 1.779 18.555 16.407 1.00 10.76 C ATOM 425 O ILE A 55 1.797 19.593 15.669 1.00 16.22 O ATOM 426 CB ILE A 55 0.558 16.609 15.186 1.00 20.31 C ATOM 427 CG1 ILE A 55 0.130 17.331 13.905 1.00 16.78 C ATOM 428 CG2 ILE A 55 -0.531 16.492 16.264 1.00 18.75 C ATOM 429 CD1 ILE A 55 0.255 16.486 12.637 1.00 22.97 C ATOM 430 N LEU A 56 1.620 18.588 17.709 1.00 7.67 N ATOM 431 CA LEU A 56 1.442 19.847 18.469 1.00 9.11 C ATOM 432 C LEU A 56 2.629 20.142 19.374 1.00 10.93 C ATOM 433 O LEU A 56 2.597 21.033 20.238 1.00 11.51 O ATOM 434 CB LEU A 56 0.096 19.775 19.214 1.00 12.62 C ATOM 435 CG LEU A 56 -1.143 19.890 18.329 1.00 18.74 C ATOM 436 CD1 LEU A 56 -2.415 19.609 19.106 1.00 11.98 C ATOM 437 CD2 LEU A 56 -1.197 21.273 17.688 1.00 18.46 C ATOM 438 N GLN A 57 3.702 19.388 19.178 1.00 11.07 N ATOM 439 CA GLN A 57 4.955 19.571 19.902 1.00 5.99 C ATOM 440 C GLN A 57 4.698 19.768 21.394 1.00 8.32 C ATOM 441 O GLN A 57 5.098 20.820 21.908 1.00 11.84 O ATOM 442 CB GLN A 57 5.683 20.826 19.361 1.00 6.82 C ATOM 443 CG GLN A 57 6.221 20.556 17.920 1.00 7.36 C ATOM 444 CD GLN A 57 7.321 19.542 17.890 1.00 10.31 C ATOM 445 OE1 GLN A 57 8.507 19.921 17.983 1.00 15.73 O ATOM 446 NE2 GLN A 57 7.063 18.259 17.635 1.00 10.24 N ATOM 447 N ILE A 58 4.135 18.760 22.003 1.00 10.93 N ATOM 448 CA ILE A 58 3.894 18.833 23.453 1.00 10.61 C ATOM 449 C ILE A 58 5.166 18.479 24.207 1.00 15.46 C ATOM 450 O ILE A 58 5.871 17.547 23.828 1.00 11.86 O ATOM 451 CB ILE A 58 2.684 17.879 23.708 1.00 13.56 C ATOM 452 CG1 ILE A 58 1.420 18.552 23.107 1.00 13.74 C ATOM 453 CG2 ILE A 58 2.537 17.530 25.218 1.00 12.86 C ATOM 454 CD1 ILE A 58 0.267 17.491 22.865 1.00 13.28 C ATOM 455 N ASN A 59 5.420 19.187 25.282 1.00 8.21 N ATOM 456 CA ASN A 59 6.749 19.208 25.957 1.00 12.05 C ATOM 457 C ASN A 59 6.815 18.193 27.095 1.00 11.22 C ATOM 458 O ASN A 59 5.879 18.073 27.896 1.00 11.89 O ATOM 459 CB ASN A 59 6.914 20.656 26.520 1.00 16.91 C ATOM 460 CG ASN A 59 8.289 20.758 27.169 1.00 14.95 C ATOM 461 OD1 ASN A 59 8.391 20.556 28.383 1.00 23.28 O ATOM 462 ND2 ASN A 59 9.351 20.956 26.411 1.00 24.05 N ATOM 463 N SER A 60 7.970 17.529 27.215 1.00 10.16 N ATOM 464 CA SER A 60 8.124 16.459 28.203 1.00 12.39 C ATOM 465 C SER A 60 8.357 16.960 29.631 1.00 14.85 C ATOM 466 O SER A 60 8.368 16.109 30.538 1.00 16.90 O ATOM 467 CB SER A 60 9.282 15.539 27.841 1.00 10.30 C ATOM 468 OG SER A 60 10.496 16.267 27.798 1.00 10.12 O ATOM 469 N ARG A 61 8.580 18.221 29.786 1.00 11.10 N ATOM 470 CA ARG A 61 8.791 18.865 31.118 1.00 19.12 C ATOM 471 C ARG A 61 7.511 18.838 31.908 1.00 18.48 C ATOM 472 O ARG A 61 7.567 18.584 33.138 1.00 25.63 O ATOM 473 CB ARG A 61 9.358 20.266 30.921 1.00 23.23 C ATOM 474 CG ARG A 61 9.677 21.126 32.114 1.00 41.70 C ATOM 475 CD ARG A 61 10.535 20.467 33.110 1.00 52.41 C ATOM 476 NE ARG A 61 11.945 20.684 33.052 1.00 59.87 N ATOM 477 CZ ARG A 61 12.764 20.815 32.030 1.00 58.31 C ATOM 478 NH1 ARG A 61 12.367 20.799 30.761 1.00 68.67 N ATOM 479 NH2 ARG A 61 14.073 20.956 32.270 1.00 63.22 N ATOM 480 N TRP A 62 6.340 18.951 31.294 1.00 10.52 N ATOM 481 CA TRP A 62 5.083 18.931 32.023 1.00 11.62 C ATOM 482 C TRP A 62 4.096 17.827 31.658 1.00 10.93 C ATOM 483 O TRP A 62 3.304 17.418 32.506 1.00 16.80 O ATOM 484 CB TRP A 62 4.309 20.268 31.794 1.00 17.47 C ATOM 485 CG TRP A 62 5.258 21.405 32.049 1.00 25.19 C ATOM 486 CD1 TRP A 62 6.007 22.118 31.158 1.00 36.88 C ATOM 487 CD2 TRP A 62 5.575 21.907 33.363 1.00 38.89 C ATOM 488 NE1 TRP A 62 6.749 23.062 31.827 1.00 40.24 N ATOM 489 CE2 TRP A 62 6.515 22.946 33.177 1.00 42.72 C ATOM 490 CE3 TRP A 62 5.155 21.569 34.636 1.00 36.57 C ATOM 491 CZ2 TRP A 62 7.036 23.656 34.251 1.00 49.06 C ATOM 492 CZ3 TRP A 62 5.662 22.276 35.712 1.00 47.84 C ATOM 493 CH2 TRP A 62 6.589 23.301 35.516 1.00 48.54 C ATOM 494 N TRP A 63 4.115 17.442 30.396 1.00 12.84 N ATOM 495 CA TRP A 63 2.887 16.804 29.836 1.00 7.03 C ATOM 496 C TRP A 63 3.016 15.342 29.594 1.00 7.62 C ATOM 497 O TRP A 63 2.011 14.621 29.734 1.00 11.24 O ATOM 498 CB TRP A 63 2.510 17.624 28.565 1.00 12.52 C ATOM 499 CG TRP A 63 2.235 19.066 28.932 1.00 12.35 C ATOM 500 CD1 TRP A 63 2.979 20.160 28.615 1.00 14.04 C ATOM 501 CD2 TRP A 63 1.126 19.553 29.708 1.00 13.23 C ATOM 502 NE1 TRP A 63 2.400 21.290 29.138 1.00 17.27 N ATOM 503 CE2 TRP A 63 1.273 20.944 29.818 1.00 13.88 C ATOM 504 CE3 TRP A 63 0.051 18.910 30.322 1.00 12.72 C ATOM 505 CZ2 TRP A 63 0.371 21.762 30.525 1.00 13.62 C ATOM 506 CZ3 TRP A 63 -0.834 19.690 31.043 1.00 9.66 C ATOM 507 CH2 TRP A 63 -0.675 21.088 31.135 1.00 14.80 C ATOM 508 N CYS A 64 4.192 14.840 29.271 1.00 10.92 N ATOM 509 CA CYS A 64 4.351 13.391 28.927 1.00 9.10 C ATOM 510 C CYS A 64 5.646 12.852 29.494 1.00 9.04 C ATOM 511 O CYS A 64 6.528 13.638 29.824 1.00 12.45 O ATOM 512 CB CYS A 64 4.233 13.116 27.447 1.00 5.07 C ATOM 513 SG CYS A 64 5.498 14.033 26.463 1.00 14.95 S ATOM 514 N ASN A 65 5.721 11.502 29.618 1.00 9.03 N ATOM 515 CA ASN A 65 6.980 10.942 30.161 1.00 10.56 C ATOM 516 C ASN A 65 7.846 10.382 29.017 1.00 12.38 C ATOM 517 O ASN A 65 7.327 9.537 28.275 1.00 13.11 O ATOM 518 CB ASN A 65 6.670 9.796 31.155 1.00 11.80 C ATOM 519 CG ASN A 65 7.979 9.185 31.681 1.00 28.33 C ATOM 520 OD1 ASN A 65 8.793 9.832 32.318 1.00 19.80 O ATOM 521 ND2 ASN A 65 8.227 7.918 31.402 1.00 29.75 N ATOM 522 N ASP A 66 9.123 10.770 29.009 1.00 11.08 N ATOM 523 CA ASP A 66 10.021 10.213 27.967 1.00 13.86 C ATOM 524 C ASP A 66 11.242 9.556 28.642 1.00 17.52 C ATOM 525 O ASP A 66 12.178 9.160 27.937 1.00 11.24 O ATOM 526 CB ASP A 66 10.436 11.322 27.024 1.00 9.54 C ATOM 527 CG ASP A 66 11.290 12.425 27.569 1.00 11.81 C ATOM 528 OD1 ASP A 66 11.646 12.566 28.733 1.00 13.41 O ATOM 529 OD2 ASP A 66 11.659 13.288 26.700 1.00 16.25 O ATOM 530 N GLY A 67 11.252 9.540 29.935 1.00 10.65 N ATOM 531 CA GLY A 67 12.271 8.888 30.741 1.00 15.75 C ATOM 532 C GLY A 67 13.602 9.583 30.800 1.00 21.26 C ATOM 533 O GLY A 67 14.584 9.015 31.348 1.00 23.81 O ATOM 534 N ARG A 68 13.694 10.801 30.281 1.00 11.15 N ATOM 535 CA ARG A 68 14.962 11.511 30.307 1.00 13.48 C ATOM 536 C ARG A 68 14.832 12.987 30.604 1.00 19.26 C ATOM 537 O ARG A 68 15.735 13.725 30.164 1.00 17.67 O ATOM 538 CB ARG A 68 15.694 11.303 28.976 1.00 15.68 C ATOM 539 CG ARG A 68 14.983 11.735 27.699 1.00 14.40 C ATOM 540 CD ARG A 68 15.979 11.897 26.599 1.00 23.89 C ATOM 541 NE ARG A 68 15.632 12.841 25.569 1.00 23.80 N ATOM 542 CZ ARG A 68 16.123 12.873 24.324 1.00 22.03 C ATOM 543 NH1 ARG A 68 15.764 13.838 23.468 1.00 13.80 N ATOM 544 NH2 ARG A 68 17.045 11.958 23.943 1.00 19.08 N ATOM 545 N THR A 69 13.750 13.427 31.236 1.00 16.68 N ATOM 546 CA THR A 69 13.609 14.850 31.623 1.00 17.75 C ATOM 547 C THR A 69 13.464 14.845 33.166 1.00 17.76 C ATOM 548 O THR A 69 12.340 14.765 33.668 1.00 20.99 O ATOM 549 CB THR A 69 12.372 15.561 30.962 1.00 14.74 C ATOM 550 OG1 THR A 69 12.270 15.072 29.587 1.00 16.55 O ATOM 551 CG2 THR A 69 12.423 17.106 30.947 1.00 15.21 C ATOM 552 N PRO A 70 14.588 14.852 33.847 1.00 24.88 N ATOM 553 CA PRO A 70 14.621 14.859 35.314 1.00 30.17 C ATOM 554 C PRO A 70 13.690 15.912 35.889 1.00 29.96 C ATOM 555 O PRO A 70 13.778 17.117 35.562 1.00 33.26 O ATOM 556 CB PRO A 70 16.091 15.129 35.633 1.00 34.06 C ATOM 557 CG PRO A 70 16.848 14.527 34.462 1.00 33.91 C ATOM 558 CD PRO A 70 15.943 14.716 33.253 1.00 29.31 C ATOM 559 N GLY A 71 12.766 15.469 36.731 1.00 30.40 N ATOM 560 CA GLY A 71 11.735 16.335 37.306 1.00 37.07 C ATOM 561 C GLY A 71 10.540 16.666 36.441 1.00 33.63 C ATOM 562 O GLY A 71 9.808 17.638 36.754 1.00 43.46 O ATOM 563 N SER A 72 10.284 15.968 35.381 1.00 31.03 N ATOM 564 CA SER A 72 9.093 16.051 34.505 1.00 30.55 C ATOM 565 C SER A 72 7.879 15.729 35.380 1.00 29.12 C ATOM 566 O SER A 72 8.074 14.924 36.323 1.00 28.04 O ATOM 567 CB SER A 72 9.293 15.017 33.398 1.00 28.34 C ATOM 568 OG SER A 72 8.227 14.855 32.452 1.00 31.60 O ATOM 569 N ARG A 73 6.703 16.243 35.104 1.00 27.11 N ATOM 570 CA ARG A 73 5.467 15.989 35.859 1.00 23.62 C ATOM 571 C ARG A 73 4.440 15.025 35.298 1.00 32.75 C ATOM 572 O ARG A 73 3.495 14.572 36.051 1.00 38.33 O ATOM 573 CB ARG A 73 4.751 17.327 36.115 1.00 30.23 C ATOM 574 CG ARG A 73 5.256 18.120 37.300 1.00 37.08 C ATOM 575 CD ARG A 73 4.803 17.583 38.609 1.00 50.60 C ATOM 576 NE ARG A 73 3.394 17.727 38.894 1.00 60.94 N ATOM 577 CZ ARG A 73 2.664 18.840 38.895 1.00 67.24 C ATOM 578 NH1 ARG A 73 3.165 20.045 38.608 1.00 69.01 N ATOM 579 NH2 ARG A 73 1.363 18.775 39.208 1.00 62.16 N ATOM 580 N ASN A 74 4.496 14.602 34.084 1.00 18.87 N ATOM 581 CA ASN A 74 3.588 13.751 33.320 1.00 19.20 C ATOM 582 C ASN A 74 2.103 14.058 33.504 1.00 19.63 C ATOM 583 O ASN A 74 1.371 13.107 33.847 1.00 18.36 O ATOM 584 CB ASN A 74 3.931 12.253 33.421 1.00 21.66 C ATOM 585 CG ASN A 74 3.273 11.387 32.357 1.00 12.81 C ATOM 586 OD1 ASN A 74 2.703 11.849 31.378 1.00 13.93 O ATOM 587 ND2 ASN A 74 3.271 10.040 32.476 1.00 14.39 N ATOM 588 N LEU A 75 1.603 15.243 33.165 1.00 21.89 N ATOM 589 CA LEU A 75 0.169 15.581 33.367 1.00 19.67 C ATOM 590 C LEU A 75 -0.826 14.873 32.478 1.00 17.62 C ATOM 591 O LEU A 75 -1.981 14.630 32.938 1.00 23.06 O ATOM 592 CB LEU A 75 0.021 17.109 33.313 1.00 21.55 C ATOM 593 CG LEU A 75 0.036 17.888 34.619 1.00 28.87 C ATOM 594 CD1 LEU A 75 0.353 17.003 35.795 1.00 28.76 C ATOM 595 CD2 LEU A 75 1.060 19.009 34.505 1.00 24.15 C ATOM 596 N CYS A 76 -0.457 14.526 31.247 1.00 11.61 N ATOM 597 CA CYS A 76 -1.369 13.799 30.346 1.00 14.12 C ATOM 598 C CYS A 76 -1.336 12.305 30.583 1.00 14.64 C ATOM 599 O CYS A 76 -2.094 11.594 29.908 1.00 13.30 O ATOM 600 CB CYS A 76 -1.129 14.156 28.878 1.00 17.88 C ATOM 601 SG CYS A 76 -1.401 15.933 28.584 1.00 14.21 S ATOM 602 N ASN A 77 -0.460 11.846 31.491 1.00 20.34 N ATOM 603 CA ASN A 77 -0.416 10.393 31.826 1.00 17.85 C ATOM 604 C ASN A 77 -0.147 9.538 30.604 1.00 17.24 C ATOM 605 O ASN A 77 -0.904 8.566 30.387 1.00 15.48 O ATOM 606 CB ASN A 77 -1.820 9.976 32.368 1.00 16.97 C ATOM 607 CG ASN A 77 -1.620 8.903 33.438 1.00 45.53 C ATOM 608 OD1 ASN A 77 -0.476 8.677 33.880 1.00 44.54 O ATOM 609 ND2 ASN A 77 -2.711 8.262 33.863 1.00 49.70 N ATOM 610 N ILE A 78 0.883 9.844 29.881 1.00 10.53 N ATOM 611 CA ILE A 78 1.133 9.203 28.576 1.00 15.13 C ATOM 612 C ILE A 78 2.652 9.209 28.330 1.00 17.99 C ATOM 613 O ILE A 78 3.358 10.129 28.752 1.00 14.22 O ATOM 614 CB ILE A 78 0.316 10.069 27.555 1.00 18.23 C ATOM 615 CG1 ILE A 78 -0.164 9.306 26.326 1.00 25.04 C ATOM 616 CG2 ILE A 78 0.945 11.426 27.145 1.00 24.05 C ATOM 617 CD1 ILE A 78 -1.027 8.079 26.645 1.00 22.83 C ATOM 618 N PRO A 79 3.112 8.144 27.704 1.00 17.47 N ATOM 619 CA PRO A 79 4.496 8.109 27.216 1.00 14.10 C ATOM 620 C PRO A 79 4.542 9.144 26.089 1.00 12.28 C ATOM 621 O PRO A 79 3.617 9.167 25.241 1.00 13.76 O ATOM 622 CB PRO A 79 4.686 6.699 26.705 1.00 13.88 C ATOM 623 CG PRO A 79 3.324 6.079 26.612 1.00 24.14 C ATOM 624 CD PRO A 79 2.408 6.862 27.541 1.00 16.11 C ATOM 625 N CYS A 80 5.596 9.944 26.029 1.00 7.76 N ATOM 626 CA CYS A 80 5.680 10.943 24.935 1.00 5.53 C ATOM 627 C CYS A 80 5.619 10.259 23.578 1.00 7.86 C ATOM 628 O CYS A 80 5.235 10.853 22.544 1.00 9.78 O ATOM 629 CB CYS A 80 7.039 11.658 25.065 1.00 10.16 C ATOM 630 SG CYS A 80 7.190 12.699 26.562 1.00 13.25 S ATOM 631 N SER A 81 6.084 8.994 23.567 1.00 7.99 N ATOM 632 CA SER A 81 6.063 8.263 22.255 1.00 11.95 C ATOM 633 C SER A 81 4.661 8.092 21.708 1.00 15.71 C ATOM 634 O SER A 81 4.433 8.058 20.469 1.00 13.79 O ATOM 635 CB SER A 81 6.787 6.928 22.387 1.00 8.91 C ATOM 636 OG SER A 81 6.126 6.126 23.343 1.00 17.48 O ATOM 637 N ALA A 82 3.671 8.035 22.562 1.00 14.51 N ATOM 638 CA ALA A 82 2.247 7.938 22.120 1.00 16.43 C ATOM 639 C ALA A 82 1.817 9.180 21.331 1.00 17.02 C ATOM 640 O ALA A 82 0.829 9.174 20.575 1.00 23.02 O ATOM 641 CB ALA A 82 1.365 7.821 23.364 1.00 16.54 C ATOM 642 N LEU A 83 2.511 10.283 21.496 1.00 16.57 N ATOM 643 CA LEU A 83 2.247 11.539 20.801 1.00 13.70 C ATOM 644 C LEU A 83 2.767 11.547 19.358 1.00 15.69 C ATOM 645 O LEU A 83 2.477 12.525 18.659 1.00 12.24 O ATOM 646 CB LEU A 83 2.882 12.676 21.608 1.00 17.72 C ATOM 647 CG LEU A 83 2.295 12.907 22.997 1.00 19.66 C ATOM 648 CD1 LEU A 83 2.958 14.116 23.650 1.00 13.01 C ATOM 649 CD2 LEU A 83 0.794 13.144 22.838 1.00 17.26 C ATOM 650 N LEU A 84 3.487 10.509 18.933 1.00 11.31 N ATOM 651 CA LEU A 84 4.032 10.456 17.582 1.00 12.80 C ATOM 652 C LEU A 84 3.202 9.533 16.682 1.00 16.93 C ATOM 653 O LEU A 84 3.505 9.432 15.463 1.00 18.51 O ATOM 654 CB LEU A 84 5.487 9.952 17.715 1.00 10.48 C ATOM 655 CG LEU A 84 6.418 10.792 18.594 1.00 14.94 C ATOM 656 CD1 LEU A 84 7.856 10.294 18.388 1.00 15.31 C ATOM 657 CD2 LEU A 84 6.358 12.241 18.115 1.00 14.23 C ATOM 658 N SER A 85 2.202 8.893 17.233 1.00 15.25 N ATOM 659 CA SER A 85 1.367 7.956 16.423 1.00 16.75 C ATOM 660 C SER A 85 0.668 8.643 15.269 1.00 20.26 C ATOM 661 O SER A 85 0.417 9.874 15.301 1.00 14.43 O ATOM 662 CB SER A 85 0.347 7.309 17.364 1.00 13.30 C ATOM 663 OG SER A 85 -0.680 6.687 16.583 1.00 20.18 O ATOM 664 N SER A 86 0.295 7.858 14.236 1.00 18.42 N ATOM 665 CA SER A 86 -0.447 8.426 13.091 1.00 18.18 C ATOM 666 C SER A 86 -1.894 8.761 13.495 1.00 22.00 C ATOM 667 O SER A 86 -2.569 9.547 12.799 1.00 21.03 O ATOM 668 CB SER A 86 -0.400 7.494 11.878 1.00 27.02 C ATOM 669 OG SER A 86 -0.976 6.231 12.209 1.00 30.03 O ATOM 670 N ASP A 87 -2.379 8.117 14.532 1.00 15.70 N ATOM 671 CA ASP A 87 -3.669 8.384 15.185 1.00 13.60 C ATOM 672 C ASP A 87 -3.412 9.553 16.154 1.00 18.62 C ATOM 673 O ASP A 87 -2.661 9.357 17.148 1.00 16.44 O ATOM 674 CB ASP A 87 -4.121 7.138 15.957 1.00 15.35 C ATOM 675 CG ASP A 87 -5.407 7.283 16.749 1.00 33.17 C ATOM 676 OD1 ASP A 87 -5.888 8.357 17.158 1.00 23.58 O ATOM 677 OD2 ASP A 87 -6.044 6.219 17.011 1.00 33.56 O ATOM 678 N ILE A 88 -4.068 10.659 15.947 1.00 13.24 N ATOM 679 CA ILE A 88 -3.798 11.860 16.799 1.00 14.95 C ATOM 680 C ILE A 88 -4.606 11.920 18.051 1.00 15.23 C ATOM 681 O ILE A 88 -4.620 12.933 18.810 1.00 15.03 O ATOM 682 CB ILE A 88 -4.067 13.147 15.931 1.00 9.71 C ATOM 683 CG1 ILE A 88 -5.586 13.204 15.586 1.00 13.38 C ATOM 684 CG2 ILE A 88 -3.172 13.229 14.677 1.00 12.72 C ATOM 685 CD1 ILE A 88 -5.980 14.578 14.978 1.00 23.88 C ATOM 686 N THR A 89 -5.300 10.828 18.372 1.00 10.20 N ATOM 687 CA THR A 89 -6.106 10.901 19.613 1.00 10.71 C ATOM 688 C THR A 89 -5.272 11.325 20.803 1.00 12.82 C ATOM 689 O THR A 89 -5.719 12.179 21.589 1.00 14.44 O ATOM 690 CB THR A 89 -6.864 9.545 19.809 1.00 12.07 C ATOM 691 OG1 THR A 89 -7.683 9.454 18.580 1.00 20.60 O ATOM 692 CG2 THR A 89 -7.650 9.466 21.095 1.00 18.41 C ATOM 693 N ALA A 90 -4.074 10.788 21.010 1.00 9.37 N ATOM 694 CA ALA A 90 -3.418 11.122 22.309 1.00 18.59 C ATOM 695 C ALA A 90 -2.985 12.584 22.322 1.00 12.85 C ATOM 696 O ALA A 90 -3.009 13.236 23.396 1.00 17.98 O ATOM 697 CB ALA A 90 -2.252 10.197 22.635 1.00 12.65 C ATOM 698 N SER A 91 -2.589 13.076 21.190 1.00 9.96 N ATOM 699 CA SER A 91 -2.108 14.445 21.017 1.00 11.53 C ATOM 700 C SER A 91 -3.236 15.444 21.299 1.00 16.58 C ATOM 701 O SER A 91 -3.015 16.464 21.977 1.00 15.66 O ATOM 702 CB SER A 91 -1.575 14.639 19.614 1.00 11.23 C ATOM 703 OG SER A 91 -0.193 14.315 19.536 1.00 13.52 O ATOM 704 N VAL A 92 -4.374 15.194 20.700 1.00 11.70 N ATOM 705 CA VAL A 92 -5.581 16.000 20.903 1.00 6.34 C ATOM 706 C VAL A 92 -6.020 15.944 22.361 1.00 9.51 C ATOM 707 O VAL A 92 -6.286 17.022 22.944 1.00 10.61 O ATOM 708 CB VAL A 92 -6.698 15.559 19.920 1.00 15.77 C ATOM 709 CG1 VAL A 92 -8.068 16.126 20.363 1.00 15.70 C ATOM 710 CG2 VAL A 92 -6.343 15.999 18.513 1.00 17.84 C ATOM 711 N ASN A 93 -6.084 14.758 22.961 1.00 15.58 N ATOM 712 CA ASN A 93 -6.506 14.665 24.384 1.00 17.10 C ATOM 713 C ASN A 93 -5.606 15.513 25.295 1.00 13.46 C ATOM 714 O ASN A 93 -6.104 16.240 26.174 1.00 12.76 O ATOM 715 CB ASN A 93 -6.628 13.222 24.871 1.00 14.06 C ATOM 716 CG ASN A 93 -7.814 12.510 24.229 1.00 24.54 C ATOM 717 OD1 ASN A 93 -7.962 11.300 24.427 1.00 37.14 O ATOM 718 ND2 ASN A 93 -8.631 13.233 23.465 1.00 18.35 N ATOM 719 N CYS A 94 -4.325 15.352 25.114 1.00 7.13 N ATOM 720 CA CYS A 94 -3.314 16.121 25.854 1.00 7.51 C ATOM 721 C CYS A 94 -3.439 17.589 25.596 1.00 8.71 C ATOM 722 O CYS A 94 -3.376 18.424 26.520 1.00 13.81 O ATOM 723 CB CYS A 94 -1.928 15.517 25.512 1.00 7.66 C ATOM 724 SG CYS A 94 -0.687 16.164 26.669 1.00 12.73 S ATOM 725 N ALA A 95 -3.608 17.984 24.328 1.00 9.74 N ATOM 726 CA ALA A 95 -3.706 19.393 23.944 1.00 9.21 C ATOM 727 C ALA A 95 -4.854 20.103 24.660 1.00 11.37 C ATOM 728 O ALA A 95 -4.767 21.289 25.011 1.00 11.17 O ATOM 729 CB ALA A 95 -3.850 19.560 22.435 1.00 7.43 C ATOM 730 N LYS A 96 -5.953 19.391 24.810 1.00 14.54 N ATOM 731 CA LYS A 96 -7.136 19.909 25.519 1.00 9.80 C ATOM 732 C LYS A 96 -6.823 20.238 26.958 1.00 10.44 C ATOM 733 O LYS A 96 -7.409 21.187 27.496 1.00 14.53 O ATOM 734 CB LYS A 96 -8.304 18.921 25.464 1.00 12.76 C ATOM 735 CG LYS A 96 -8.987 18.799 24.099 1.00 5.96 C ATOM 736 CD LYS A 96 -10.041 17.696 24.116 1.00 22.70 C ATOM 737 CE LYS A 96 -10.874 17.730 22.817 1.00 18.97 C ATOM 738 NZ LYS A 96 -11.735 16.498 22.804 1.00 17.28 N ATOM 739 N LYS A 97 -6.016 19.439 27.610 1.00 13.15 N ATOM 740 CA LYS A 97 -5.529 19.711 28.984 1.00 14.26 C ATOM 741 C LYS A 97 -4.647 20.948 28.995 1.00 19.70 C ATOM 742 O LYS A 97 -4.749 21.854 29.814 1.00 15.05 O ATOM 743 CB LYS A 97 -4.676 18.507 29.446 1.00 16.27 C ATOM 744 CG LYS A 97 -5.097 17.864 30.754 1.00 34.17 C ATOM 745 CD LYS A 97 -5.181 18.905 31.861 1.00 45.53 C ATOM 746 CE LYS A 97 -3.848 19.553 32.156 1.00 53.09 C ATOM 747 NZ LYS A 97 -3.842 20.119 33.536 1.00 52.40 N ATOM 748 N ILE A 98 -3.735 21.013 28.005 1.00 11.90 N ATOM 749 CA ILE A 98 -2.802 22.137 27.929 1.00 10.78 C ATOM 750 C ILE A 98 -3.540 23.470 27.775 1.00 14.06 C ATOM 751 O ILE A 98 -3.302 24.446 28.539 1.00 9.43 O ATOM 752 CB ILE A 98 -1.724 21.914 26.818 1.00 11.61 C ATOM 753 CG1 ILE A 98 -0.861 20.667 27.047 1.00 9.68 C ATOM 754 CG2 ILE A 98 -0.812 23.167 26.663 1.00 9.91 C ATOM 755 CD1 ILE A 98 -0.199 20.131 25.742 1.00 10.91 C ATOM 756 N VAL A 99 -4.417 23.542 26.786 1.00 13.47 N ATOM 757 CA VAL A 99 -5.181 24.761 26.510 1.00 11.90 C ATOM 758 C VAL A 99 -6.099 25.166 27.656 1.00 16.15 C ATOM 759 O VAL A 99 -6.522 26.353 27.772 1.00 14.12 O ATOM 760 CB VAL A 99 -5.964 24.636 25.178 1.00 12.19 C ATOM 761 CG1 VAL A 99 -7.258 23.883 25.288 1.00 9.72 C ATOM 762 CG2 VAL A 99 -6.222 26.010 24.563 1.00 13.50 C ATOM 763 N SER A 100 -6.426 24.248 28.524 1.00 12.14 N ATOM 764 CA SER A 100 -7.356 24.554 29.636 1.00 14.95 C ATOM 765 C SER A 100 -6.543 24.967 30.878 1.00 23.21 C ATOM 766 O SER A 100 -7.168 25.244 31.904 1.00 23.99 O ATOM 767 CB SER A 100 -8.161 23.325 30.038 1.00 15.98 C ATOM 768 OG SER A 100 -8.924 22.829 28.956 1.00 27.54 O ATOM 769 N ASP A 101 -5.247 24.949 30.772 1.00 23.30 N ATOM 770 CA ASP A 101 -4.295 25.187 31.864 1.00 25.11 C ATOM 771 C ASP A 101 -4.225 26.654 32.292 1.00 26.05 C ATOM 772 O ASP A 101 -3.499 26.931 33.287 1.00 31.96 O ATOM 773 CB ASP A 101 -2.916 24.642 31.494 1.00 23.36 C ATOM 774 CG ASP A 101 -1.915 24.539 32.608 1.00 40.29 C ATOM 775 OD1 ASP A 101 -0.800 25.101 32.540 1.00 41.76 O ATOM 776 OD2 ASP A 101 -2.239 23.831 33.601 1.00 33.18 O ATOM 777 N GLY A 102 -4.837 27.547 31.563 1.00 24.32 N ATOM 778 CA GLY A 102 -4.853 28.966 32.040 1.00 24.77 C ATOM 779 C GLY A 102 -4.172 29.895 31.069 1.00 26.97 C ATOM 780 O GLY A 102 -4.548 31.092 31.106 1.00 27.59 O ATOM 781 N ASN A 103 -3.195 29.438 30.263 1.00 21.36 N ATOM 782 CA ASN A 103 -2.676 30.383 29.246 1.00 14.50 C ATOM 783 C ASN A 103 -3.279 30.179 27.871 1.00 13.95 C ATOM 784 O ASN A 103 -2.839 30.896 26.973 1.00 11.61 O ATOM 785 CB ASN A 103 -1.167 30.505 29.241 1.00 29.09 C ATOM 786 CG ASN A 103 -0.793 31.504 30.344 1.00 47.86 C ATOM 787 OD1 ASN A 103 -0.747 31.114 31.513 1.00 52.59 O ATOM 788 ND2 ASN A 103 -0.613 32.739 29.895 1.00 57.20 N ATOM 789 N GLY A 104 -4.293 29.353 27.736 1.00 11.67 N ATOM 790 CA GLY A 104 -4.914 29.186 26.393 1.00 12.75 C ATOM 791 C GLY A 104 -3.860 28.626 25.419 1.00 7.49 C ATOM 792 O GLY A 104 -2.942 27.948 25.861 1.00 11.10 O ATOM 793 N MET A 105 -4.026 29.023 24.172 1.00 10.31 N ATOM 794 CA MET A 105 -3.137 28.629 23.059 1.00 8.26 C ATOM 795 C MET A 105 -1.768 29.254 23.085 1.00 8.86 C ATOM 796 O MET A 105 -0.842 28.863 22.327 1.00 8.67 O ATOM 797 CB MET A 105 -3.930 28.863 21.764 1.00 4.90 C ATOM 798 CG MET A 105 -4.820 27.650 21.591 1.00 6.43 C ATOM 799 SD MET A 105 -5.219 27.316 19.832 1.00 14.25 S ATOM 800 CE MET A 105 -3.690 26.431 19.347 1.00 17.47 C ATOM 801 N ASN A 106 -1.565 30.205 24.006 1.00 10.39 N ATOM 802 CA ASN A 106 -0.283 30.854 24.230 1.00 11.25 C ATOM 803 C ASN A 106 0.787 29.866 24.722 1.00 11.20 C ATOM 804 O ASN A 106 1.983 30.237 24.675 1.00 12.67 O ATOM 805 CB ASN A 106 -0.355 32.064 25.171 1.00 15.05 C ATOM 806 CG ASN A 106 -1.203 33.191 24.596 1.00 13.20 C ATOM 807 OD1 ASN A 106 -0.840 33.823 23.598 1.00 16.68 O ATOM 808 ND2 ASN A 106 -2.317 33.400 25.244 1.00 12.10 N ATOM 809 N ALA A 107 0.381 28.719 25.192 1.00 10.62 N ATOM 810 CA ALA A 107 1.313 27.643 25.533 1.00 13.59 C ATOM 811 C ALA A 107 2.062 27.189 24.269 1.00 15.56 C ATOM 812 O ALA A 107 3.134 26.588 24.389 1.00 14.40 O ATOM 813 CB ALA A 107 0.552 26.478 26.148 1.00 12.89 C ATOM 814 N TRP A 108 1.559 27.475 23.076 1.00 7.42 N ATOM 815 CA TRP A 108 2.256 27.056 21.844 1.00 10.22 C ATOM 816 C TRP A 108 2.944 28.283 21.255 1.00 11.16 C ATOM 817 O TRP A 108 2.237 29.163 20.775 1.00 10.81 O ATOM 818 CB TRP A 108 1.314 26.438 20.809 1.00 5.72 C ATOM 819 CG TRP A 108 0.937 25.030 21.192 1.00 8.09 C ATOM 820 CD1 TRP A 108 1.727 23.901 20.982 1.00 14.01 C ATOM 821 CD2 TRP A 108 -0.224 24.591 21.850 1.00 7.81 C ATOM 822 NE1 TRP A 108 1.072 22.785 21.446 1.00 11.46 N ATOM 823 CE2 TRP A 108 -0.127 23.182 21.996 1.00 12.39 C ATOM 824 CE3 TRP A 108 -1.369 25.245 22.332 1.00 8.33 C ATOM 825 CZ2 TRP A 108 -1.132 22.445 22.574 1.00 12.69 C ATOM 826 CZ3 TRP A 108 -2.367 24.490 22.908 1.00 13.82 C ATOM 827 CH2 TRP A 108 -2.229 23.097 23.053 1.00 10.12 C ATOM 828 N VAL A 109 4.261 28.294 21.321 1.00 10.40 N ATOM 829 CA VAL A 109 4.953 29.526 20.876 1.00 12.69 C ATOM 830 C VAL A 109 4.699 29.847 19.416 1.00 7.25 C ATOM 831 O VAL A 109 4.621 31.041 19.056 1.00 14.06 O ATOM 832 CB VAL A 109 6.466 29.392 21.140 1.00 27.01 C ATOM 833 CG1 VAL A 109 7.019 28.136 20.466 1.00 28.34 C ATOM 834 CG2 VAL A 109 7.161 30.656 20.640 1.00 29.57 C ATOM 835 N ALA A 110 4.617 28.837 18.550 1.00 11.40 N ATOM 836 CA ALA A 110 4.436 29.149 17.132 1.00 9.64 C ATOM 837 C ALA A 110 3.003 29.647 16.926 1.00 11.80 C ATOM 838 O ALA A 110 2.817 30.383 15.973 1.00 14.84 O ATOM 839 CB ALA A 110 4.727 27.982 16.191 1.00 11.91 C ATOM 840 N TRP A 111 2.074 29.219 17.779 1.00 7.95 N ATOM 841 CA TRP A 111 0.688 29.795 17.627 1.00 8.31 C ATOM 842 C TRP A 111 0.708 31.277 17.942 1.00 10.10 C ATOM 843 O TRP A 111 0.146 32.156 17.240 1.00 8.08 O ATOM 844 CB TRP A 111 -0.334 29.072 18.524 1.00 7.21 C ATOM 845 CG TRP A 111 -1.707 29.697 18.437 1.00 2.42 C ATOM 846 CD1 TRP A 111 -2.631 29.500 17.440 1.00 4.22 C ATOM 847 CD2 TRP A 111 -2.239 30.729 19.269 1.00 8.76 C ATOM 848 NE1 TRP A 111 -3.721 30.304 17.644 1.00 5.87 N ATOM 849 CE2 TRP A 111 -3.511 31.063 18.758 1.00 7.97 C ATOM 850 CE3 TRP A 111 -1.766 31.355 20.433 1.00 9.29 C ATOM 851 CZ2 TRP A 111 -4.328 31.992 19.400 1.00 12.84 C ATOM 852 CZ3 TRP A 111 -2.576 32.253 21.069 1.00 7.53 C ATOM 853 CH2 TRP A 111 -3.839 32.613 20.524 1.00 11.02 C ATOM 854 N ARG A 112 1.337 31.574 19.097 1.00 11.49 N ATOM 855 CA ARG A 112 1.407 32.953 19.569 1.00 7.93 C ATOM 856 C ARG A 112 2.161 33.832 18.542 1.00 12.01 C ATOM 857 O ARG A 112 1.713 34.935 18.294 1.00 12.54 O ATOM 858 CB ARG A 112 2.098 33.232 20.895 1.00 17.43 C ATOM 859 CG ARG A 112 2.087 32.222 21.987 1.00 27.88 C ATOM 860 CD ARG A 112 2.509 32.843 23.298 1.00 38.04 C ATOM 861 NE ARG A 112 3.908 32.678 23.587 1.00 42.42 N ATOM 862 CZ ARG A 112 4.944 33.369 23.138 1.00 36.13 C ATOM 863 NH1 ARG A 112 4.856 34.388 22.287 1.00 40.18 N ATOM 864 NH2 ARG A 112 6.164 33.000 23.582 1.00 42.25 N ATOM 865 N ASN A 113 3.182 33.291 17.926 1.00 8.39 N ATOM 866 CA ASN A 113 4.004 34.151 17.038 1.00 8.44 C ATOM 867 C ASN A 113 3.524 34.162 15.611 1.00 14.40 C ATOM 868 O ASN A 113 3.842 35.147 14.900 1.00 14.58 O ATOM 869 CB ASN A 113 5.475 33.718 17.151 1.00 16.25 C ATOM 870 CG ASN A 113 6.132 34.085 18.451 1.00 14.45 C ATOM 871 OD1 ASN A 113 5.713 35.006 19.157 1.00 19.68 O ATOM 872 ND2 ASN A 113 7.240 33.401 18.774 1.00 10.83 N ATOM 873 N ARG A 114 2.766 33.129 15.190 1.00 15.09 N ATOM 874 CA ARG A 114 2.517 33.033 13.734 1.00 10.85 C ATOM 875 C ARG A 114 1.060 32.847 13.374 1.00 14.65 C ATOM 876 O ARG A 114 0.778 32.893 12.170 1.00 12.85 O ATOM 877 CB ARG A 114 3.335 31.804 13.195 1.00 8.45 C ATOM 878 CG ARG A 114 4.795 31.882 13.545 1.00 16.54 C ATOM 879 CD ARG A 114 5.709 30.907 12.955 1.00 12.25 C ATOM 880 NE ARG A 114 5.798 31.067 11.476 1.00 18.57 N ATOM 881 CZ ARG A 114 6.602 30.174 10.844 1.00 16.67 C ATOM 882 NH1 ARG A 114 6.749 30.202 9.540 1.00 15.76 N ATOM 883 NH2 ARG A 114 7.253 29.272 11.631 1.00 14.29 N ATOM 884 N CYS A 115 0.191 32.652 14.353 1.00 8.20 N ATOM 885 CA CYS A 115 -1.220 32.374 14.156 1.00 8.98 C ATOM 886 C CYS A 115 -2.148 33.364 14.856 1.00 13.08 C ATOM 887 O CYS A 115 -3.142 33.712 14.220 1.00 11.56 O ATOM 888 CB CYS A 115 -1.632 30.995 14.722 1.00 6.04 C ATOM 889 SG CYS A 115 -0.680 29.671 13.886 1.00 11.58 S ATOM 890 N LYS A 116 -1.794 33.636 16.098 1.00 8.93 N ATOM 891 CA LYS A 116 -2.517 34.603 16.930 1.00 8.65 C ATOM 892 C LYS A 116 -2.772 35.891 16.151 1.00 9.68 C ATOM 893 O LYS A 116 -1.816 36.509 15.675 1.00 13.96 O ATOM 894 CB LYS A 116 -1.745 34.899 18.202 1.00 7.17 C ATOM 895 CG LYS A 116 -2.602 35.560 19.310 1.00 11.78 C ATOM 896 CD LYS A 116 -1.706 35.984 20.505 1.00 12.30 C ATOM 897 CE LYS A 116 -2.646 36.289 21.701 1.00 9.75 C ATOM 898 NZ LYS A 116 -1.802 36.359 22.941 1.00 15.50 N ATOM 899 N GLY A 117 -4.038 36.287 16.058 1.00 17.22 N ATOM 900 CA GLY A 117 -4.419 37.572 15.455 1.00 16.40 C ATOM 901 C GLY A 117 -4.327 37.605 13.941 1.00 24.89 C ATOM 902 O GLY A 117 -4.523 38.667 13.303 1.00 23.91 O ATOM 903 N THR A 118 -4.056 36.475 13.312 1.00 20.33 N ATOM 904 CA THR A 118 -3.998 36.384 11.836 1.00 14.92 C ATOM 905 C THR A 118 -5.333 35.838 11.375 1.00 15.31 C ATOM 906 O THR A 118 -6.261 35.548 12.180 1.00 13.51 O ATOM 907 CB THR A 118 -2.768 35.535 11.346 1.00 18.05 C ATOM 908 OG1 THR A 118 -3.067 34.122 11.666 1.00 14.46 O ATOM 909 CG2 THR A 118 -1.459 35.997 11.986 1.00 18.84 C ATOM 910 N ASP A 119 -5.493 35.729 10.076 1.00 16.18 N ATOM 911 CA ASP A 119 -6.818 35.204 9.582 1.00 17.07 C ATOM 912 C ASP A 119 -6.726 33.690 9.612 1.00 18.54 C ATOM 913 O ASP A 119 -6.414 33.110 8.546 1.00 17.39 O ATOM 914 CB ASP A 119 -7.121 35.761 8.190 1.00 24.43 C ATOM 915 CG ASP A 119 -8.379 35.081 7.634 1.00 33.31 C ATOM 916 OD1 ASP A 119 -9.095 34.415 8.409 1.00 36.20 O ATOM 917 OD2 ASP A 119 -8.576 35.230 6.415 1.00 34.10 O ATOM 918 N VAL A 120 -7.031 33.083 10.749 1.00 22.43 N ATOM 919 CA VAL A 120 -6.803 31.628 10.887 1.00 21.11 C ATOM 920 C VAL A 120 -7.784 30.832 10.039 1.00 22.25 C ATOM 921 O VAL A 120 -7.523 29.661 9.716 1.00 20.00 O ATOM 922 CB VAL A 120 -6.719 31.202 12.356 1.00 15.61 C ATOM 923 CG1 VAL A 120 -5.421 31.745 13.004 1.00 8.92 C ATOM 924 CG2 VAL A 120 -7.894 31.624 13.199 1.00 11.70 C ATOM 925 N GLN A 121 -8.870 31.479 9.651 1.00 17.34 N ATOM 926 CA GLN A 121 -9.906 30.719 8.914 1.00 16.93 C ATOM 927 C GLN A 121 -9.369 30.280 7.569 1.00 19.45 C ATOM 928 O GLN A 121 -9.914 29.360 6.932 1.00 19.68 O ATOM 929 CB GLN A 121 -11.177 31.576 8.839 1.00 35.81 C ATOM 930 CG GLN A 121 -12.356 30.885 9.497 1.00 44.57 C ATOM 931 CD GLN A 121 -13.673 31.503 9.078 1.00 57.79 C ATOM 932 OE1 GLN A 121 -14.521 30.874 8.445 1.00 55.40 O ATOM 933 NE2 GLN A 121 -13.826 32.774 9.454 1.00 61.67 N ATOM 934 N ALA A 122 -8.292 30.905 7.109 1.00 16.53 N ATOM 935 CA ALA A 122 -7.674 30.507 5.824 1.00 15.29 C ATOM 936 C ALA A 122 -7.119 29.092 5.868 1.00 20.98 C ATOM 937 O ALA A 122 -6.921 28.430 4.799 1.00 16.03 O ATOM 938 CB ALA A 122 -6.615 31.540 5.460 1.00 18.13 C ATOM 939 N TRP A 123 -6.890 28.556 7.059 1.00 12.47 N ATOM 940 CA TRP A 123 -6.302 27.191 7.197 1.00 13.28 C ATOM 941 C TRP A 123 -7.312 26.097 6.985 1.00 11.84 C ATOM 942 O TRP A 123 -6.965 24.893 6.783 1.00 16.84 O ATOM 943 CB TRP A 123 -5.596 27.074 8.568 1.00 11.31 C ATOM 944 CG TRP A 123 -4.317 27.880 8.600 1.00 11.00 C ATOM 945 CD1 TRP A 123 -4.113 29.119 9.112 1.00 17.82 C ATOM 946 CD2 TRP A 123 -3.072 27.472 7.998 1.00 13.38 C ATOM 947 NE1 TRP A 123 -2.805 29.501 8.912 1.00 15.82 N ATOM 948 CE2 TRP A 123 -2.169 28.529 8.185 1.00 14.51 C ATOM 949 CE3 TRP A 123 -2.680 26.352 7.302 1.00 16.41 C ATOM 950 CZ2 TRP A 123 -0.855 28.435 7.759 1.00 23.16 C ATOM 951 CZ3 TRP A 123 -1.378 26.239 6.858 1.00 18.67 C ATOM 952 CH2 TRP A 123 -0.493 27.281 7.070 1.00 21.54 C ATOM 953 N ILE A 124 -8.591 26.446 7.053 1.00 14.79 N ATOM 954 CA ILE A 124 -9.637 25.442 6.766 1.00 12.75 C ATOM 955 C ILE A 124 -10.396 25.764 5.504 1.00 18.71 C ATOM 956 O ILE A 124 -11.332 24.995 5.174 1.00 18.95 O ATOM 957 CB ILE A 124 -10.580 25.230 7.996 1.00 14.85 C ATOM 958 CG1 ILE A 124 -11.260 26.548 8.453 1.00 21.71 C ATOM 959 CG2 ILE A 124 -9.829 24.590 9.206 1.00 19.90 C ATOM 960 CD1 ILE A 124 -12.441 26.173 9.447 1.00 19.31 C ATOM 961 N ARG A 125 -10.030 26.838 4.834 1.00 14.86 N ATOM 962 CA ARG A 125 -10.824 27.210 3.623 1.00 17.62 C ATOM 963 C ARG A 125 -10.626 26.136 2.574 1.00 22.44 C ATOM 964 O ARG A 125 -9.590 25.441 2.536 1.00 20.22 O ATOM 965 CB ARG A 125 -10.579 28.630 3.176 1.00 37.22 C ATOM 966 CG ARG A 125 -10.983 29.648 4.256 1.00 43.56 C ATOM 967 CD ARG A 125 -11.320 30.977 3.680 1.00 51.62 C ATOM 968 NE ARG A 125 -10.993 32.050 4.628 1.00 52.99 N ATOM 969 CZ ARG A 125 -9.969 32.888 4.417 1.00 48.77 C ATOM 970 NH1 ARG A 125 -9.178 32.790 3.347 1.00 52.65 N ATOM 971 NH2 ARG A 125 -9.782 33.872 5.289 1.00 43.56 N ATOM 972 N GLY A 126 -11.684 25.914 1.801 1.00 22.50 N ATOM 973 CA GLY A 126 -11.717 24.906 0.745 1.00 16.65 C ATOM 974 C GLY A 126 -11.958 23.504 1.259 1.00 20.98 C ATOM 975 O GLY A 126 -12.225 22.644 0.403 1.00 21.33 O ATOM 976 N CYS A 127 -11.908 23.249 2.568 1.00 21.87 N ATOM 977 CA CYS A 127 -12.020 21.867 3.078 1.00 15.95 C ATOM 978 C CYS A 127 -13.482 21.448 3.171 1.00 21.42 C ATOM 979 O CYS A 127 -14.376 22.238 3.535 1.00 19.74 O ATOM 980 CB CYS A 127 -11.421 21.651 4.476 1.00 12.92 C ATOM 981 SG CYS A 127 -9.664 22.199 4.565 1.00 20.63 S ATOM 982 N ARG A 128 -13.635 20.154 3.007 1.00 22.37 N ATOM 983 CA ARG A 128 -15.028 19.607 3.109 1.00 25.65 C ATOM 984 C ARG A 128 -15.249 19.331 4.587 1.00 30.52 C ATOM 985 O ARG A 128 -14.950 18.253 5.078 1.00 27.83 O ATOM 986 CB ARG A 128 -15.210 18.435 2.168 1.00 30.28 C ATOM 987 CG ARG A 128 -16.680 18.067 1.872 1.00 42.51 C ATOM 988 CD ARG A 128 -17.371 19.300 1.396 1.00 57.52 C ATOM 989 NE ARG A 128 -18.760 19.195 1.062 1.00 61.32 N ATOM 990 CZ ARG A 128 -19.293 18.490 0.067 1.00 63.21 C ATOM 991 NH1 ARG A 128 -18.582 17.711 -0.738 1.00 59.27 N ATOM 992 NH2 ARG A 128 -20.604 18.636 -0.157 1.00 71.75 N ATOM 993 N LEU A 129 -15.679 20.344 5.281 1.00 34.30 N ATOM 994 CA LEU A 129 -16.124 20.506 6.642 1.00 39.41 C ATOM 995 C LEU A 129 -17.012 21.795 6.630 1.00 49.41 C ATOM 996 O LEU A 129 -17.344 22.114 5.450 1.00 50.46 O ATOM 997 CB LEU A 129 -15.052 20.573 7.688 1.00 24.68 C ATOM 998 CG LEU A 129 -13.634 20.998 7.418 1.00 30.70 C ATOM 999 CD1 LEU A 129 -13.238 22.256 8.188 1.00 34.99 C ATOM 1000 CD2 LEU A 129 -12.716 19.853 7.855 1.00 30.90 C ATOM 1001 OXT LEU A 129 -17.268 22.363 7.693 1.00 53.72 O TER 1002 LEU A 129 HETATM 1003 O HOH A 130 -3.307 8.403 19.524 1.00 19.72 O HETATM 1004 O HOH A 131 -0.396 12.197 16.473 1.00 21.67 O HETATM 1005 O HOH A 132 -9.848 33.098 15.804 1.00 24.08 O HETATM 1006 O HOH A 133 -11.436 31.482 17.962 1.00 21.36 O HETATM 1007 O HOH A 134 -11.220 28.893 11.871 1.00 13.99 O HETATM 1008 O HOH A 135 -10.629 31.591 23.809 1.00 17.96 O HETATM 1009 O HOH A 136 7.741 31.185 16.666 1.00 9.63 O HETATM 1010 O HOH A 137 -9.350 19.561 29.696 1.00 38.71 O HETATM 1011 O HOH A 138 -4.128 13.038 27.950 1.00 26.20 O HETATM 1012 O HOH A 139 1.543 16.523 19.849 1.00 13.37 O HETATM 1013 O HOH A 140 13.914 15.007 26.608 1.00 13.66 O HETATM 1014 O HOH A 141 13.414 11.569 23.018 1.00 18.94 O HETATM 1015 O HOH A 142 5.584 15.321 33.020 1.00 24.57 O HETATM 1016 O HOH A 143 9.676 12.820 30.960 1.00 16.89 O HETATM 1017 O HOH A 144 11.554 11.886 32.894 1.00 13.81 O HETATM 1018 O HOH A 145 10.159 6.025 31.292 1.00 20.82 O HETATM 1019 O HOH A 146 1.468 33.871 9.898 1.00 24.62 O HETATM 1020 O HOH A 147 8.330 17.870 10.735 1.00 18.01 O HETATM 1021 O HOH A 148 -1.245 11.151 19.092 1.00 14.85 O HETATM 1022 O HOH A 149 -14.644 19.810 16.836 1.00 26.76 O HETATM 1023 O HOH A 150 -14.139 31.729 19.976 1.00 27.80 O HETATM 1024 O HOH A 151 -6.162 33.792 16.539 1.00 20.36 O HETATM 1025 O HOH A 152 -3.017 32.337 9.624 1.00 30.66 O HETATM 1026 O HOH A 153 -13.879 24.638 5.118 1.00 32.57 O HETATM 1027 O HOH A 154 -2.503 26.989 28.365 1.00 14.21 O HETATM 1028 O HOH A 155 -6.433 28.478 29.745 1.00 27.27 O HETATM 1029 O HOH A 156 -15.068 24.101 25.125 1.00 39.90 O HETATM 1030 O HOH A 157 -0.944 7.005 20.509 1.00 29.63 O HETATM 1031 O HOH A 158 -3.078 12.065 25.913 1.00 29.35 O HETATM 1032 O HOH A 159 1.206 11.355 36.053 1.00 45.35 O HETATM 1033 O HOH A 160 7.541 12.064 33.423 1.00 25.83 O HETATM 1034 O HOH A 161 15.772 17.788 32.307 1.00 40.96 O HETATM 1035 O HOH A 162 2.875 23.466 24.517 1.00 32.32 O HETATM 1036 O HOH A 163 9.099 22.688 18.929 1.00 26.40 O HETATM 1037 O HOH A 164 4.564 32.892 9.651 1.00 20.34 O HETATM 1038 O HOH A 165 7.312 24.286 11.638 1.00 46.04 O HETATM 1039 O HOH A 166 1.055 13.661 16.839 1.00 26.99 O HETATM 1040 O HOH A 167 5.759 10.893 9.492 1.00 18.19 O HETATM 1041 O HOH A 168 10.364 19.016 12.323 1.00 29.21 O HETATM 1042 O HOH A 169 14.836 15.539 18.001 1.00 36.84 O HETATM 1043 O HOH A 170 4.190 7.482 13.605 1.00 19.89 O HETATM 1044 O HOH A 171 -14.461 15.344 11.064 1.00 49.06 O HETATM 1045 O HOH A 172 -14.326 13.797 7.837 1.00 35.01 O HETATM 1046 O HOH A 173 -11.341 18.868 1.410 1.00 35.03 O HETATM 1047 O HOH A 174 -11.733 18.172 5.375 1.00 41.37 O HETATM 1048 O HOH A 175 3.777 21.586 25.438 1.00 18.70 O HETATM 1049 O HOH A 176 -5.872 16.949 2.643 1.00 24.77 O HETATM 1050 O HOH A 177 7.483 24.593 19.820 1.00 32.23 O HETATM 1051 O HOH A 178 0.889 36.254 15.206 1.00 21.32 O HETATM 1052 O HOH A 179 18.658 16.033 19.737 1.00 27.59 O HETATM 1053 O HOH A 180 7.736 25.658 15.333 1.00 31.73 O HETATM 1054 O HOH A 181 -1.150 20.453 3.305 1.00 36.98 O HETATM 1055 O HOH A 182 3.077 10.356 5.511 1.00 27.50 O HETATM 1056 O HOH A 183 3.688 7.262 10.520 1.00 26.63 O HETATM 1057 O HOH A 184 -14.846 29.184 19.128 1.00 43.11 O HETATM 1058 O HOH A 185 -8.642 15.605 27.584 1.00 32.56 O HETATM 1059 O HOH A 186 -6.274 10.583 13.264 1.00 25.95 O HETATM 1060 O HOH A 187 -6.782 35.379 14.814 1.00 29.59 O HETATM 1061 O HOH A 188 0.050 35.455 8.549 1.00 41.33 O HETATM 1062 O HOH A 189 -9.395 34.632 12.330 1.00 58.41 O HETATM 1063 O HOH A 190 -4.157 33.273 7.084 1.00 31.91 O HETATM 1064 O HOH A 191 -6.297 9.732 24.398 1.00 35.64 O HETATM 1065 O HOH A 192 -11.976 17.606 3.929 1.00 58.10 O HETATM 1066 O HOH A 193 14.921 25.590 23.205 1.00 47.03 O HETATM 1067 O HOH A 194 -4.267 9.135 10.847 1.00 28.81 O HETATM 1068 O HOH A 195 4.796 23.261 23.382 1.00 55.47 O HETATM 1069 O HOH A 196 -5.487 19.468 1.983 1.00 37.71 O HETATM 1070 O HOH A 197 5.940 24.765 8.550 1.00 51.75 O HETATM 1071 O HOH A 198 -8.191 28.868 31.505 1.00 48.03 O HETATM 1072 O HOH A 199 8.840 23.929 15.256 1.00 46.06 O HETATM 1073 O HOH A 200 6.519 10.916 4.512 1.00 35.16 O HETATM 1074 O HOH A 201 1.759 22.964 33.240 1.00 47.28 O HETATM 1075 O HOH A 202 16.630 28.191 25.695 1.00 55.70 O HETATM 1076 O HOH A 203 -14.511 26.925 3.329 1.00 37.69 O HETATM 1077 O HOH A 204 -14.466 10.791 17.918 1.00 39.91 O HETATM 1078 O HOH A 205 -14.286 30.777 17.589 1.00 42.27 O HETATM 1079 O HOH A 206 -8.371 28.649 28.228 1.00 46.53 O HETATM 1080 O HOH A 207 15.287 24.685 26.799 1.00 58.83 O HETATM 1081 O HOH A 208 3.652 19.523 5.426 1.00 32.37 O HETATM 1082 O HOH A 209 -4.269 12.767 33.331 1.00 46.92 O HETATM 1083 O HOH A 210 4.346 4.362 21.468 1.00 57.95 O HETATM 1084 O HOH A 211 14.658 10.935 33.829 1.00 41.93 O HETATM 1085 O HOH A 212 17.335 15.824 30.361 1.00 35.20 O HETATM 1086 O HOH A 213 17.497 8.587 29.617 1.00 38.37 O HETATM 1087 O HOH A 214 2.929 7.037 31.105 1.00 48.76 O HETATM 1088 O HOH A 215 0.277 38.455 22.036 1.00 29.19 O HETATM 1089 O HOH A 216 -7.891 19.988 32.309 1.00 38.15 O HETATM 1090 O HOH A 217 10.679 22.975 29.280 1.00 39.06 O HETATM 1091 O HOH A 218 18.126 28.594 28.045 1.00 56.10 O HETATM 1092 O HOH A 219 17.572 10.411 31.766 1.00 55.34 O HETATM 1093 O HOH A 220 -3.122 31.324 6.101 1.00 42.13 O HETATM 1094 O HOH A 221 1.066 18.233 4.218 1.00 38.34 O HETATM 1095 O HOH A 222 8.993 27.035 18.581 1.00 55.33 O HETATM 1096 O HOH A 223 -2.072 4.628 10.423 1.00 46.47 O HETATM 1097 O HOH A 224 -2.942 29.247 4.402 1.00 40.85 O HETATM 1098 O HOH A 225 4.733 7.157 8.652 1.00 50.86 O HETATM 1099 O HOH A 226 -12.135 31.691 12.833 1.00 46.74 O HETATM 1100 O HOH A 227 -2.774 14.491 35.455 1.00 71.47 O HETATM 1101 O HOH A 228 1.540 11.583 3.240 1.00 45.90 O HETATM 1102 O HOH A 229 4.809 1.761 23.365 1.00 34.30 O HETATM 1103 O HOH A 230 9.197 21.107 14.100 1.00 56.41 O HETATM 1104 O HOH A 231 -2.955 11.222 34.975 1.00 57.14 O HETATM 1105 O HOH A 232 1.259 31.133 28.062 1.00 50.52 O HETATM 1106 O HOH A 233 5.515 26.200 22.436 1.00 30.27 O HETATM 1107 O HOH A 234 -8.534 38.553 10.469 1.00 56.04 O HETATM 1108 O HOH A 235 2.481 33.702 26.816 1.00 45.07 O HETATM 1109 O HOH A 236 -20.712 20.060 -2.497 1.00 51.43 O HETATM 1110 O HOH A 237 -3.898 5.534 12.342 1.00 42.57 O HETATM 1111 O HOH A 238 -2.459 41.326 14.029 1.00 68.40 O HETATM 1112 O HOH A 239 -13.829 16.686 25.259 1.00 50.69 O HETATM 1113 O HOH A 240 -3.402 5.251 35.299 1.00 62.28 O HETATM 1114 O HOH A 241 4.485 35.810 28.043 1.00 51.78 O HETATM 1115 O HOH A 242 3.588 10.775 37.170 1.00 44.01 O HETATM 1116 O HOH A 243 3.952 4.846 7.373 1.00 42.81 O HETATM 1117 O HOH A 244 -5.868 32.773 1.815 1.00 53.52 O HETATM 1118 O HOH A 245 -0.787 36.555 25.966 1.00 40.35 O HETATM 1119 O HOH A 246 -1.479 6.374 30.189 1.00 49.51 O HETATM 1120 O HOH A 247 -14.027 26.810 11.858 1.00 36.68 O HETATM 1121 O HOH A 248 -15.674 19.752 25.038 1.00 44.72 O HETATM 1122 O HOH A 249 -13.361 13.009 23.620 1.00 73.35 O HETATM 1123 O HOH A 250 -15.631 29.116 10.019 1.00 47.77 O HETATM 1124 O HOH A 251 -0.259 24.326 3.920 1.00 49.05 O HETATM 1125 O HOH A 252 -11.961 11.337 20.175 1.00 91.23 O HETATM 1126 O HOH A 253 -5.377 7.073 33.578 1.00 59.39 O HETATM 1127 O HOH A 254 -4.912 22.758 -0.623 1.00 73.67 O HETATM 1128 O HOH A 255 -13.573 28.021 28.632 1.00 65.64 O HETATM 1129 O HOH A 256 -19.837 23.610 11.249 1.00 64.41 O HETATM 1130 O HOH A 257 -16.717 23.154 10.645 1.00 76.28 O HETATM 1131 O HOH A 258 -16.990 18.522 -4.780 1.00 59.60 O HETATM 1132 O HOH A 259 19.426 18.935 19.838 1.00 70.94 O HETATM 1133 O HOH A 260 -7.732 17.817 0.225 1.00 60.42 O HETATM 1134 O HOH A 261 11.402 22.969 20.900 1.00 37.19 O HETATM 1135 O HOH A 262 3.696 23.844 27.799 1.00 41.75 O HETATM 1136 O HOH A 263 -3.269 27.030 1.356 1.00 63.28 O HETATM 1137 O HOH A 264 -7.513 9.766 14.765 1.00 42.33 O HETATM 1138 O HOH A 265 -5.603 27.548 2.910 1.00 46.29 O HETATM 1139 O HOH A 266 -10.689 16.355 28.845 1.00 77.67 O HETATM 1140 O HOH A 267 1.075 8.149 36.495 1.00 68.78 O HETATM 1141 O HOH A 268 -7.273 11.059 8.852 1.00 57.89 O HETATM 1142 O HOH A 269 -12.075 13.666 27.673 1.00 63.62 O HETATM 1143 O HOH A 270 -10.076 6.749 19.420 1.00 73.68 O HETATM 1144 O HOH A 271 0.393 16.675 40.062 1.00 49.17 O HETATM 1145 O HOH A 272 -1.714 15.356 39.214 1.00 53.70 O HETATM 1146 O HOH A 273 -3.825 37.552 8.975 1.00 59.74 O HETATM 1147 O HOH A 274 7.067 38.380 26.340 1.00 54.15 O HETATM 1148 O HOH A 275 -8.797 37.709 14.889 1.00 46.33 O HETATM 1149 O HOH A 276 -17.315 12.559 23.461 1.00 80.14 O HETATM 1150 O HOH A 277 -2.643 4.198 32.825 1.00 73.75 O HETATM 1151 O HOH A 278 2.383 2.804 27.116 1.00 61.72 O HETATM 1152 O HOH A 279 -1.387 34.732 28.127 1.00 52.83 O HETATM 1153 O HOH A 280 -1.522 39.211 13.426 1.00 80.20 O HETATM 1154 O HOH A 281 10.309 18.278 40.216 1.00 72.04 O HETATM 1155 O HOH A 282 -12.337 32.633 16.478 1.00 55.47 O HETATM 1156 O HOH A 283 0.341 4.186 26.165 1.00 48.77 O HETATM 1157 O HOH A 284 -2.012 19.753 0.702 1.00 71.03 O HETATM 1158 O HOH A 285 -0.811 2.565 11.031 1.00 75.88 O HETATM 1159 O HOH A 286 -14.632 14.579 19.826 1.00 62.23 O HETATM 1160 O HOH A 287 -16.067 16.891 -1.905 1.00 66.74 O HETATM 1161 O HOH A 288 -10.251 27.521 30.588 1.00 62.91 O HETATM 1162 O HOH A 289 -15.720 22.003 21.441 1.00 66.12 O HETATM 1163 O HOH A 290 5.677 34.727 26.868 1.00 74.86 O HETATM 1164 O HOH A 291 -14.753 18.449 22.685 1.00 66.00 O HETATM 1165 O HOH A 292 4.910 27.803 26.370 1.00 72.04 O CONECT 48 981 CONECT 238 889 CONECT 513 630 CONECT 601 724 CONECT 630 513 CONECT 724 601 CONECT 889 238 CONECT 981 48 MASTER 330 1 0 7 5 13 0 6 1164 1 8 10 END