HEADER HYDROLASE(O-GLYCOSYL) 05-JUL-94 1LSE TITLE THE INFLUENCE OF TEMPERATURE ON LYSOZYME CRYSTALS. TITLE 2 STRUCTURE AND DYNAMICS OF PROTEIN AND WATER 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 I.KURINOV,R.W.HARRISON REVDAT 2 24-FEB-09 1LSE 1 VERSN REVDAT 1 30-SEP-94 1LSE 0 JRNL AUTH I.V.KURINOV,R.W.HARRISON JRNL TITL THE INFLUENCE OF TEMPERATURE ON LYSOZYME CRYSTALS. JRNL TITL 2 STRUCTURE AND DYNAMICS OF PROTEIN AND WATER. JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 51 98 1995 JRNL REFN ISSN 0907-4449 JRNL PMID 15299341 JRNL DOI 10.1107/S0907444994009261 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 6.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 10142 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 SET) : 0.191 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 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1265 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 297 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 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : NULL REMARK 3 BOND ANGLES (DEGREES) : NULL REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : 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 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LSE 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: X-PLOR REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 40.67 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.07 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 18.92900 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.62250 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.62250 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 28.39350 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.62250 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.62250 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.46450 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.62250 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.62250 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 28.39350 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.62250 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.62250 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.46450 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 18.92900 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 5 NE - CZ - NH1 ANGL. DEV. = 4.7 DEGREES REMARK 500 ARG A 5 NE - CZ - NH2 ANGL. DEV. = -7.5 DEGREES REMARK 500 ARG A 14 NE - CZ - NH2 ANGL. DEV. = -4.9 DEGREES REMARK 500 ARG A 21 CB - CG - CD ANGL. DEV. = 16.7 DEGREES REMARK 500 ARG A 21 NE - CZ - NH2 ANGL. DEV. = 5.3 DEGREES REMARK 500 TRP A 28 CD1 - CG - CD2 ANGL. DEV. = 6.0 DEGREES REMARK 500 TRP A 28 CE2 - CD2 - CG ANGL. DEV. = -5.8 DEGREES REMARK 500 ARG A 45 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES REMARK 500 ARG A 61 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 TRP A 62 CD1 - CG - CD2 ANGL. DEV. = 6.8 DEGREES REMARK 500 TRP A 62 CE2 - CD2 - CG ANGL. DEV. = -5.9 DEGREES REMARK 500 TRP A 63 CD1 - CG - CD2 ANGL. DEV. = 6.2 DEGREES REMARK 500 TRP A 63 CE2 - CD2 - CG ANGL. DEV. = -5.8 DEGREES REMARK 500 VAL A 99 CB - CA - C ANGL. DEV. = -14.3 DEGREES REMARK 500 TRP A 108 CD1 - CG - CD2 ANGL. DEV. = 6.0 DEGREES REMARK 500 TRP A 108 CE2 - CD2 - CG ANGL. DEV. = -5.7 DEGREES REMARK 500 TRP A 111 CD1 - CG - CD2 ANGL. DEV. = 5.4 DEGREES REMARK 500 TRP A 111 CE2 - CD2 - CG ANGL. DEV. = -5.2 DEGREES REMARK 500 ARG A 112 NE - CZ - NH2 ANGL. DEV. = -3.7 DEGREES REMARK 500 TRP A 123 CD1 - CG - CD2 ANGL. DEV. = 5.7 DEGREES REMARK 500 TRP A 123 CE2 - CD2 - CG ANGL. DEV. = -5.9 DEGREES REMARK 500 ARG A 125 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 ARG A 128 NE - CZ - NH2 ANGL. DEV. = -4.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN A 74 50.07 39.15 REMARK 500 ASP A 101 6.79 -69.96 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 133 DISTANCE = 9.33 ANGSTROMS REMARK 525 HOH A 137 DISTANCE = 12.60 ANGSTROMS REMARK 525 HOH A 140 DISTANCE = 11.71 ANGSTROMS REMARK 525 HOH A 147 DISTANCE = 9.95 ANGSTROMS REMARK 525 HOH A 148 DISTANCE = 5.32 ANGSTROMS REMARK 525 HOH A 150 DISTANCE = 5.34 ANGSTROMS REMARK 525 HOH A 165 DISTANCE = 13.37 ANGSTROMS REMARK 525 HOH A 166 DISTANCE = 8.81 ANGSTROMS REMARK 525 HOH A 173 DISTANCE = 6.16 ANGSTROMS REMARK 525 HOH A 175 DISTANCE = 8.25 ANGSTROMS REMARK 525 HOH A 177 DISTANCE = 14.03 ANGSTROMS REMARK 525 HOH A 180 DISTANCE = 7.49 ANGSTROMS REMARK 525 HOH A 182 DISTANCE = 6.73 ANGSTROMS REMARK 525 HOH A 183 DISTANCE = 7.64 ANGSTROMS REMARK 525 HOH A 205 DISTANCE = 7.98 ANGSTROMS REMARK 525 HOH A 206 DISTANCE = 6.46 ANGSTROMS REMARK 525 HOH A 213 DISTANCE = 19.61 ANGSTROMS REMARK 525 HOH A 217 DISTANCE = 8.51 ANGSTROMS REMARK 525 HOH A 219 DISTANCE = 13.65 ANGSTROMS REMARK 525 HOH A 224 DISTANCE = 9.64 ANGSTROMS REMARK 525 HOH A 228 DISTANCE = 5.56 ANGSTROMS REMARK 525 HOH A 296 DISTANCE = 16.44 ANGSTROMS REMARK 525 HOH A 297 DISTANCE = 10.38 ANGSTROMS DBREF 1LSE 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 *99(H2 O) HELIX 1 1 GLY A 4 HIS A 15 1 12 HELIX 2 2 GLY A 26 ASN A 37 1 12 HELIX 3 3 CYS A 80 SER A 85 5 6 HELIX 4 4 ILE A 88 SER A 100 1 13 HELIX 5 5 ASN A 103 ALA A 107 5 5 HELIX 6 6 TRP A 108 CYS A 115 1 8 HELIX 7 7 ASP A 119 ARG A 125 5 7 SHEET 1 A 3 THR A 43 ARG A 45 0 SHEET 2 A 3 THR A 51 TYR A 53 -1 N ASP A 52 O ASN A 44 SHEET 3 A 3 ILE A 58 ASN A 59 -1 N ILE A 58 O TYR A 53 SSBOND 1 CYS A 6 CYS A 127 1555 1555 1.97 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.02 SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.03 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.03 CRYST1 79.245 79.245 37.858 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 0.012619 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012619 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026414 0.00000 ATOM 1 N LYS A 1 3.275 10.101 10.222 1.00 20.89 N ATOM 2 CA LYS A 1 2.422 10.503 9.080 1.00 20.58 C ATOM 3 C LYS A 1 2.415 12.014 8.835 1.00 20.66 C ATOM 4 O LYS A 1 2.281 12.783 9.801 1.00 20.70 O ATOM 5 CB LYS A 1 0.993 10.064 9.334 1.00 20.02 C ATOM 6 CG LYS A 1 0.008 10.544 8.307 1.00 20.98 C ATOM 7 CD LYS A 1 -1.307 9.983 8.733 1.00 22.38 C ATOM 8 CE LYS A 1 -2.418 10.755 8.065 1.00 23.22 C ATOM 9 NZ LYS A 1 -2.231 10.702 6.635 1.00 25.02 N ATOM 10 H1 LYS A 1 3.042 10.643 11.087 1.00 10.00 H ATOM 11 H2 LYS A 1 3.084 9.108 10.419 1.00 10.00 H ATOM 12 H3 LYS A 1 4.289 10.187 10.017 1.00 10.00 H ATOM 13 HZ1 LYS A 1 -2.237 9.711 6.320 1.00 10.00 H ATOM 14 HZ2 LYS A 1 -3.003 11.218 6.166 1.00 10.00 H ATOM 15 HZ3 LYS A 1 -1.324 11.141 6.382 1.00 10.00 H ATOM 16 N VAL A 2 2.578 12.472 7.604 1.00 20.78 N ATOM 17 CA VAL A 2 2.506 13.902 7.319 1.00 20.21 C ATOM 18 C VAL A 2 1.091 14.179 6.787 1.00 20.44 C ATOM 19 O VAL A 2 0.655 13.672 5.745 1.00 21.21 O ATOM 20 CB VAL A 2 3.575 14.318 6.259 1.00 20.14 C ATOM 21 CG1 VAL A 2 3.463 15.835 6.073 1.00 20.34 C ATOM 22 CG2 VAL A 2 5.007 13.938 6.685 1.00 19.74 C ATOM 23 H VAL A 2 2.746 11.844 6.862 1.00 10.00 H ATOM 24 N PHE A 3 0.320 14.919 7.548 1.00 20.41 N ATOM 25 CA PHE A 3 -1.041 15.201 7.180 1.00 20.69 C ATOM 26 C PHE A 3 -1.167 16.294 6.138 1.00 21.27 C ATOM 27 O PHE A 3 -0.362 17.226 6.015 1.00 21.58 O ATOM 28 CB PHE A 3 -1.852 15.647 8.369 1.00 20.64 C ATOM 29 CG PHE A 3 -2.439 14.599 9.298 1.00 20.84 C ATOM 30 CD1 PHE A 3 -1.682 14.059 10.317 1.00 20.95 C ATOM 31 CD2 PHE A 3 -3.779 14.264 9.168 1.00 21.46 C ATOM 32 CE1 PHE A 3 -2.278 13.195 11.209 1.00 21.18 C ATOM 33 CE2 PHE A 3 -4.378 13.400 10.061 1.00 21.48 C ATOM 34 CZ PHE A 3 -3.619 12.864 11.089 1.00 22.35 C ATOM 35 H PHE A 3 0.698 15.300 8.368 1.00 10.00 H ATOM 36 N GLY A 4 -2.218 16.134 5.332 1.00 21.60 N ATOM 37 CA GLY A 4 -2.636 17.226 4.482 1.00 20.53 C ATOM 38 C GLY A 4 -3.433 18.212 5.332 1.00 20.82 C ATOM 39 O GLY A 4 -4.011 17.859 6.359 1.00 20.12 O ATOM 40 H GLY A 4 -2.677 15.275 5.303 1.00 10.00 H ATOM 41 N ARG A 5 -3.436 19.478 4.930 1.00 21.15 N ATOM 42 CA ARG A 5 -4.140 20.555 5.606 1.00 21.41 C ATOM 43 C ARG A 5 -5.607 20.239 5.939 1.00 21.37 C ATOM 44 O ARG A 5 -5.942 20.136 7.118 1.00 21.40 O ATOM 45 CB ARG A 5 -3.959 21.718 4.686 1.00 22.02 C ATOM 46 CG ARG A 5 -4.469 23.033 5.174 1.00 23.81 C ATOM 47 CD ARG A 5 -4.510 23.895 3.893 1.00 25.38 C ATOM 48 NE ARG A 5 -5.739 24.623 4.063 1.00 27.58 N ATOM 49 CZ ARG A 5 -6.718 24.724 3.197 1.00 27.06 C ATOM 50 NH1 ARG A 5 -6.617 24.457 1.900 1.00 27.15 N ATOM 51 NH2 ARG A 5 -7.821 25.213 3.728 1.00 28.58 N ATOM 52 H ARG A 5 -2.900 19.676 4.135 1.00 10.00 H ATOM 53 HE ARG A 5 -5.851 25.107 4.907 1.00 10.00 H ATOM 54 HH11 ARG A 5 -5.743 24.157 1.518 1.00 10.00 H ATOM 55 HH12 ARG A 5 -7.414 24.561 1.306 1.00 10.00 H ATOM 56 HH21 ARG A 5 -7.842 25.462 4.696 1.00 10.00 H ATOM 57 HH22 ARG A 5 -8.636 25.336 3.163 1.00 10.00 H ATOM 58 N CYS A 6 -6.511 19.973 4.970 1.00 21.30 N ATOM 59 CA CYS A 6 -7.921 19.667 5.258 1.00 20.69 C ATOM 60 C CYS A 6 -8.090 18.296 5.882 1.00 19.64 C ATOM 61 O CYS A 6 -8.996 18.077 6.685 1.00 19.71 O ATOM 62 CB CYS A 6 -8.809 19.703 4.003 1.00 21.36 C ATOM 63 SG CYS A 6 -8.798 21.295 3.136 1.00 23.07 S ATOM 64 H CYS A 6 -6.201 20.060 4.045 1.00 10.00 H ATOM 65 N GLU A 7 -7.261 17.323 5.558 1.00 18.91 N ATOM 66 CA GLU A 7 -7.262 16.027 6.264 1.00 18.77 C ATOM 67 C GLU A 7 -7.081 16.166 7.793 1.00 18.39 C ATOM 68 O GLU A 7 -7.813 15.557 8.580 1.00 18.05 O ATOM 69 CB GLU A 7 -6.136 15.180 5.711 1.00 19.57 C ATOM 70 CG GLU A 7 -6.113 13.802 6.306 1.00 21.86 C ATOM 71 CD GLU A 7 -4.939 12.941 5.852 1.00 23.81 C ATOM 72 OE1 GLU A 7 -3.934 13.484 5.372 1.00 25.18 O ATOM 73 OE2 GLU A 7 -5.045 11.709 5.986 1.00 25.43 O ATOM 74 H GLU A 7 -6.654 17.461 4.796 1.00 10.00 H ATOM 75 N LEU A 8 -6.120 17.001 8.256 1.00 17.80 N ATOM 76 CA LEU A 8 -5.920 17.290 9.670 1.00 17.58 C ATOM 77 C LEU A 8 -7.050 18.134 10.272 1.00 16.97 C ATOM 78 O LEU A 8 -7.521 17.829 11.368 1.00 16.59 O ATOM 79 CB LEU A 8 -4.575 18.004 9.865 1.00 18.83 C ATOM 80 CG LEU A 8 -4.154 18.335 11.316 1.00 19.74 C ATOM 81 CD1 LEU A 8 -3.796 17.102 12.163 1.00 19.48 C ATOM 82 CD2 LEU A 8 -2.920 19.174 11.217 1.00 20.97 C ATOM 83 H LEU A 8 -5.526 17.420 7.594 1.00 10.00 H ATOM 84 N ALA A 9 -7.517 19.191 9.577 1.00 16.67 N ATOM 85 CA ALA A 9 -8.709 19.947 9.965 1.00 16.86 C ATOM 86 C ALA A 9 -9.939 19.061 10.322 1.00 17.38 C ATOM 87 O ALA A 9 -10.554 19.136 11.400 1.00 18.19 O ATOM 88 CB ALA A 9 -9.062 20.895 8.808 1.00 15.39 C ATOM 89 H ALA A 9 -6.991 19.486 8.800 1.00 10.00 H ATOM 90 N ALA A 10 -10.227 18.084 9.455 1.00 17.75 N ATOM 91 CA ALA A 10 -11.326 17.156 9.664 1.00 17.88 C ATOM 92 C ALA A 10 -11.017 16.236 10.822 1.00 18.20 C ATOM 93 O ALA A 10 -11.867 15.956 11.652 1.00 18.91 O ATOM 94 CB ALA A 10 -11.535 16.334 8.386 1.00 18.04 C ATOM 95 H ALA A 10 -9.710 18.046 8.621 1.00 10.00 H ATOM 96 N ALA A 11 -9.790 15.724 10.986 1.00 19.15 N ATOM 97 CA ALA A 11 -9.489 14.874 12.144 1.00 19.72 C ATOM 98 C ALA A 11 -9.611 15.598 13.503 1.00 19.80 C ATOM 99 O ALA A 11 -10.119 15.056 14.491 1.00 19.47 O ATOM 100 CB ALA A 11 -8.069 14.312 12.005 1.00 19.68 C ATOM 101 H ALA A 11 -9.101 15.929 10.318 1.00 10.00 H ATOM 102 N MET A 12 -9.171 16.864 13.541 1.00 20.62 N ATOM 103 CA MET A 12 -9.255 17.721 14.727 1.00 21.24 C ATOM 104 C MET A 12 -10.676 18.117 15.121 1.00 22.46 C ATOM 105 O MET A 12 -11.063 18.111 16.298 1.00 22.18 O ATOM 106 CB MET A 12 -8.439 18.996 14.510 1.00 20.47 C ATOM 107 CG MET A 12 -6.937 18.775 14.509 1.00 19.26 C ATOM 108 SD MET A 12 -6.014 20.312 14.334 1.00 18.81 S ATOM 109 CE MET A 12 -4.537 19.913 15.201 1.00 17.56 C ATOM 110 H MET A 12 -8.762 17.221 12.722 1.00 10.00 H ATOM 111 N LYS A 13 -11.512 18.418 14.125 1.00 23.81 N ATOM 112 CA LYS A 13 -12.939 18.665 14.371 1.00 25.09 C ATOM 113 C LYS A 13 -13.640 17.388 14.908 1.00 25.13 C ATOM 114 O LYS A 13 -14.316 17.386 15.937 1.00 24.69 O ATOM 115 CB LYS A 13 -13.576 19.106 13.054 1.00 26.38 C ATOM 116 CG LYS A 13 -14.926 19.800 13.204 1.00 27.62 C ATOM 117 CD LYS A 13 -15.572 20.012 11.853 1.00 27.92 C ATOM 118 CE LYS A 13 -16.610 21.066 12.146 1.00 29.13 C ATOM 119 NZ LYS A 13 -17.224 21.477 10.910 1.00 30.62 N ATOM 120 H LYS A 13 -11.146 18.522 13.218 1.00 10.00 H ATOM 121 HZ1 LYS A 13 -16.494 21.847 10.269 1.00 10.00 H ATOM 122 HZ2 LYS A 13 -17.689 20.659 10.467 1.00 10.00 H ATOM 123 HZ3 LYS A 13 -17.929 22.216 11.096 1.00 10.00 H ATOM 124 N ARG A 14 -13.387 16.262 14.233 1.00 25.67 N ATOM 125 CA ARG A 14 -13.852 14.941 14.628 1.00 26.65 C ATOM 126 C ARG A 14 -13.518 14.609 16.071 1.00 26.64 C ATOM 127 O ARG A 14 -14.259 13.952 16.792 1.00 26.55 O ATOM 128 CB ARG A 14 -13.212 13.894 13.760 1.00 28.23 C ATOM 129 CG ARG A 14 -14.043 12.653 13.765 1.00 30.58 C ATOM 130 CD ARG A 14 -13.173 11.531 13.257 1.00 33.40 C ATOM 131 NE ARG A 14 -13.248 10.541 14.307 1.00 34.90 N ATOM 132 CZ ARG A 14 -12.328 9.619 14.518 1.00 35.39 C ATOM 133 NH1 ARG A 14 -11.259 9.458 13.734 1.00 35.81 N ATOM 134 NH2 ARG A 14 -12.546 8.826 15.561 1.00 36.07 N ATOM 135 H ARG A 14 -12.959 16.352 13.352 1.00 10.00 H ATOM 136 HE ARG A 14 -14.031 10.546 14.896 1.00 10.00 H ATOM 137 HH11 ARG A 14 -11.128 10.044 12.936 1.00 10.00 H ATOM 138 HH12 ARG A 14 -10.592 8.743 13.945 1.00 10.00 H ATOM 139 HH21 ARG A 14 -13.366 8.952 16.121 1.00 10.00 H ATOM 140 HH22 ARG A 14 -11.892 8.104 15.785 1.00 10.00 H ATOM 141 N HIS A 15 -12.348 15.083 16.514 1.00 27.15 N ATOM 142 CA HIS A 15 -11.922 14.895 17.911 1.00 26.96 C ATOM 143 C HIS A 15 -12.254 16.004 18.928 1.00 26.01 C ATOM 144 O HIS A 15 -11.759 16.034 20.056 1.00 25.75 O ATOM 145 CB HIS A 15 -10.409 14.606 17.931 1.00 27.13 C ATOM 146 CG HIS A 15 -10.020 13.217 17.422 1.00 27.46 C ATOM 147 ND1 HIS A 15 -9.728 12.868 16.179 1.00 27.59 N ATOM 148 CD2 HIS A 15 -9.810 12.103 18.215 1.00 27.90 C ATOM 149 CE1 HIS A 15 -9.333 11.615 16.156 1.00 27.65 C ATOM 150 NE2 HIS A 15 -9.387 11.178 17.387 1.00 29.16 N ATOM 151 H HIS A 15 -11.785 15.551 15.862 1.00 10.00 H ATOM 152 HD1 HIS A 15 -9.832 13.413 15.369 1.00 10.00 H ATOM 153 HE2 HIS A 15 -9.058 10.279 17.637 1.00 10.00 H ATOM 154 N GLY A 16 -13.180 16.861 18.519 1.00 25.54 N ATOM 155 CA GLY A 16 -13.752 17.874 19.371 1.00 25.87 C ATOM 156 C GLY A 16 -12.994 19.197 19.487 1.00 26.51 C ATOM 157 O GLY A 16 -13.273 20.034 20.352 1.00 26.77 O ATOM 158 H GLY A 16 -13.516 16.767 17.606 1.00 10.00 H ATOM 159 N LEU A 17 -12.033 19.483 18.640 1.00 26.14 N ATOM 160 CA LEU A 17 -11.295 20.717 18.837 1.00 26.50 C ATOM 161 C LEU A 17 -11.864 22.022 18.247 1.00 26.55 C ATOM 162 O LEU A 17 -11.486 23.092 18.738 1.00 26.37 O ATOM 163 CB LEU A 17 -9.891 20.427 18.327 1.00 26.42 C ATOM 164 CG LEU A 17 -8.697 20.555 19.209 1.00 26.09 C ATOM 165 CD1 LEU A 17 -8.990 20.321 20.676 1.00 26.19 C ATOM 166 CD2 LEU A 17 -7.694 19.638 18.571 1.00 26.05 C ATOM 167 H LEU A 17 -11.819 18.859 17.919 1.00 10.00 H ATOM 168 N ASP A 18 -12.766 22.054 17.236 1.00 26.43 N ATOM 169 CA ASP A 18 -13.330 23.319 16.728 1.00 26.29 C ATOM 170 C ASP A 18 -14.072 24.016 17.848 1.00 25.83 C ATOM 171 O ASP A 18 -14.926 23.466 18.538 1.00 25.04 O ATOM 172 CB ASP A 18 -14.340 23.129 15.623 1.00 27.72 C ATOM 173 CG ASP A 18 -14.728 24.363 14.801 1.00 29.37 C ATOM 174 OD1 ASP A 18 -14.199 25.474 14.944 1.00 29.89 O ATOM 175 OD2 ASP A 18 -15.564 24.183 13.918 1.00 31.59 O ATOM 176 H ASP A 18 -13.141 21.201 16.928 1.00 10.00 H ATOM 177 N ASN A 19 -13.621 25.232 18.064 1.00 25.65 N ATOM 178 CA ASN A 19 -14.016 26.043 19.188 1.00 26.45 C ATOM 179 C ASN A 19 -13.841 25.517 20.611 1.00 25.04 C ATOM 180 O ASN A 19 -14.461 26.042 21.545 1.00 24.37 O ATOM 181 CB ASN A 19 -15.440 26.498 18.980 1.00 29.42 C ATOM 182 CG ASN A 19 -15.302 27.997 18.769 1.00 33.06 C ATOM 183 OD1 ASN A 19 -15.300 28.798 19.710 1.00 34.64 O ATOM 184 ND2 ASN A 19 -15.092 28.485 17.553 1.00 34.94 N ATOM 185 H ASN A 19 -12.845 25.518 17.541 1.00 10.00 H ATOM 186 HD21 ASN A 19 -14.990 29.459 17.570 1.00 10.00 H ATOM 187 HD22 ASN A 19 -15.058 27.907 16.775 1.00 10.00 H ATOM 188 N TYR A 20 -12.909 24.563 20.814 1.00 24.09 N ATOM 189 CA TYR A 20 -12.553 24.093 22.163 1.00 23.45 C ATOM 190 C TYR A 20 -11.879 25.262 22.910 1.00 23.08 C ATOM 191 O TYR A 20 -10.943 25.897 22.417 1.00 22.83 O ATOM 192 CB TYR A 20 -11.592 22.902 22.104 1.00 22.98 C ATOM 193 CG TYR A 20 -11.453 22.284 23.481 1.00 22.71 C ATOM 194 CD1 TYR A 20 -12.432 21.446 23.978 1.00 23.32 C ATOM 195 CD2 TYR A 20 -10.357 22.589 24.260 1.00 22.97 C ATOM 196 CE1 TYR A 20 -12.298 20.927 25.266 1.00 24.71 C ATOM 197 CE2 TYR A 20 -10.215 22.082 25.531 1.00 23.57 C ATOM 198 CZ TYR A 20 -11.185 21.250 26.045 1.00 24.75 C ATOM 199 OH TYR A 20 -11.047 20.755 27.350 1.00 24.90 O ATOM 200 H TYR A 20 -12.439 24.194 20.037 1.00 10.00 H ATOM 201 HH TYR A 20 -10.135 20.880 27.650 1.00 10.00 H ATOM 202 N ARG A 21 -12.474 25.579 24.072 1.00 22.61 N ATOM 203 CA ARG A 21 -12.257 26.773 24.926 1.00 22.61 C ATOM 204 C ARG A 21 -12.240 28.066 24.112 1.00 21.82 C ATOM 205 O ARG A 21 -11.419 28.971 24.271 1.00 22.09 O ATOM 206 CB ARG A 21 -10.939 26.760 25.774 1.00 23.53 C ATOM 207 CG ARG A 21 -10.979 27.887 26.904 1.00 26.78 C ATOM 208 CD ARG A 21 -9.811 28.955 27.310 1.00 26.81 C ATOM 209 NE ARG A 21 -9.601 30.251 26.587 1.00 26.66 N ATOM 210 CZ ARG A 21 -8.457 30.993 26.687 1.00 23.00 C ATOM 211 NH1 ARG A 21 -7.473 30.613 27.443 1.00 26.11 N ATOM 212 NH2 ARG A 21 -8.223 32.088 26.068 1.00 18.22 N ATOM 213 H ARG A 21 -13.140 24.926 24.370 1.00 10.00 H ATOM 214 HE ARG A 21 -10.316 30.581 26.004 1.00 10.00 H ATOM 215 HH11 ARG A 21 -7.537 29.765 27.969 1.00 10.00 H ATOM 216 HH12 ARG A 21 -6.638 31.160 27.484 1.00 10.00 H ATOM 217 HH21 ARG A 21 -8.908 32.466 25.446 1.00 10.00 H ATOM 218 HH22 ARG A 21 -7.351 32.555 26.197 1.00 10.00 H ATOM 219 N GLY A 22 -13.147 28.176 23.145 1.00 21.01 N ATOM 220 CA GLY A 22 -13.237 29.401 22.365 1.00 20.44 C ATOM 221 C GLY A 22 -12.274 29.498 21.189 1.00 20.29 C ATOM 222 O GLY A 22 -12.266 30.509 20.494 1.00 20.46 O ATOM 223 H GLY A 22 -13.762 27.436 22.959 1.00 10.00 H ATOM 224 N TYR A 23 -11.440 28.497 20.904 1.00 19.85 N ATOM 225 CA TYR A 23 -10.511 28.579 19.776 1.00 19.34 C ATOM 226 C TYR A 23 -11.009 27.856 18.542 1.00 19.32 C ATOM 227 O TYR A 23 -11.139 26.644 18.496 1.00 18.41 O ATOM 228 CB TYR A 23 -9.157 28.004 20.139 1.00 18.81 C ATOM 229 CG TYR A 23 -8.404 28.883 21.135 1.00 18.95 C ATOM 230 CD1 TYR A 23 -8.638 28.693 22.493 1.00 19.13 C ATOM 231 CD2 TYR A 23 -7.507 29.856 20.693 1.00 18.56 C ATOM 232 CE1 TYR A 23 -7.979 29.472 23.426 1.00 19.38 C ATOM 233 CE2 TYR A 23 -6.844 30.633 21.622 1.00 18.29 C ATOM 234 CZ TYR A 23 -7.074 30.441 22.976 1.00 19.20 C ATOM 235 OH TYR A 23 -6.373 31.193 23.923 1.00 18.62 O ATOM 236 H TYR A 23 -11.407 27.720 21.501 1.00 10.00 H ATOM 237 HH TYR A 23 -6.935 31.346 24.688 1.00 10.00 H ATOM 238 N SER A 24 -11.376 28.600 17.522 1.00 20.03 N ATOM 239 CA SER A 24 -11.797 28.031 16.238 1.00 20.37 C ATOM 240 C SER A 24 -10.764 27.065 15.629 1.00 21.14 C ATOM 241 O SER A 24 -9.542 27.045 15.903 1.00 19.35 O ATOM 242 CB SER A 24 -12.011 29.120 15.194 1.00 20.30 C ATOM 243 OG SER A 24 -10.750 29.697 14.815 1.00 21.94 O ATOM 244 H SER A 24 -11.381 29.578 17.655 1.00 10.00 H ATOM 245 HG SER A 24 -10.890 30.629 14.602 1.00 10.00 H ATOM 246 N LEU A 25 -11.295 26.233 14.739 1.00 21.80 N ATOM 247 CA LEU A 25 -10.418 25.441 13.920 1.00 23.37 C ATOM 248 C LEU A 25 -9.839 26.550 12.985 1.00 24.36 C ATOM 249 O LEU A 25 -10.451 27.603 12.631 1.00 28.29 O ATOM 250 CB LEU A 25 -11.297 24.435 13.224 1.00 23.33 C ATOM 251 CG LEU A 25 -10.742 23.143 12.682 1.00 23.06 C ATOM 252 CD1 LEU A 25 -10.381 22.238 13.851 1.00 22.83 C ATOM 253 CD2 LEU A 25 -11.782 22.484 11.778 1.00 23.22 C ATOM 254 H LEU A 25 -12.249 26.277 14.532 1.00 10.00 H ATOM 255 N GLY A 26 -8.652 26.391 12.480 1.00 24.09 N ATOM 256 CA GLY A 26 -8.037 27.546 11.875 1.00 20.86 C ATOM 257 C GLY A 26 -6.939 27.821 12.867 1.00 19.75 C ATOM 258 O GLY A 26 -5.791 27.657 12.488 1.00 19.17 O ATOM 259 H GLY A 26 -8.290 25.491 12.380 1.00 10.00 H ATOM 260 N ASN A 27 -7.212 28.088 14.153 1.00 18.55 N ATOM 261 CA ASN A 27 -6.136 28.278 15.174 1.00 18.24 C ATOM 262 C ASN A 27 -5.276 27.003 15.412 1.00 17.77 C ATOM 263 O ASN A 27 -4.045 27.022 15.430 1.00 16.48 O ATOM 264 CB ASN A 27 -6.693 28.666 16.556 1.00 17.43 C ATOM 265 CG ASN A 27 -7.232 30.066 16.616 1.00 17.28 C ATOM 266 OD1 ASN A 27 -6.493 31.035 16.643 1.00 16.80 O ATOM 267 ND2 ASN A 27 -8.522 30.274 16.616 1.00 18.47 N ATOM 268 H ASN A 27 -8.156 28.217 14.399 1.00 10.00 H ATOM 269 HD21 ASN A 27 -8.787 31.214 16.678 1.00 10.00 H ATOM 270 HD22 ASN A 27 -9.143 29.529 16.499 1.00 10.00 H ATOM 271 N TRP A 28 -5.989 25.874 15.589 1.00 16.95 N ATOM 272 CA TRP A 28 -5.371 24.573 15.793 1.00 16.40 C ATOM 273 C TRP A 28 -4.582 24.063 14.563 1.00 15.60 C ATOM 274 O TRP A 28 -3.503 23.464 14.657 1.00 15.21 O ATOM 275 CB TRP A 28 -6.491 23.578 16.199 1.00 16.45 C ATOM 276 CG TRP A 28 -7.102 23.869 17.573 1.00 16.81 C ATOM 277 CD1 TRP A 28 -8.318 24.485 17.655 1.00 17.78 C ATOM 278 CD2 TRP A 28 -6.539 23.647 18.822 1.00 17.36 C ATOM 279 NE1 TRP A 28 -8.514 24.672 18.939 1.00 17.52 N ATOM 280 CE2 TRP A 28 -7.496 24.199 19.659 1.00 17.55 C ATOM 281 CE3 TRP A 28 -5.405 23.086 19.363 1.00 16.47 C ATOM 282 CZ2 TRP A 28 -7.333 24.206 21.021 1.00 18.45 C ATOM 283 CZ3 TRP A 28 -5.238 23.087 20.723 1.00 17.38 C ATOM 284 CH2 TRP A 28 -6.195 23.646 21.546 1.00 17.73 C ATOM 285 H TRP A 28 -6.955 25.974 15.722 1.00 10.00 H ATOM 286 HE1 TRP A 28 -9.344 25.054 19.310 1.00 10.00 H ATOM 287 N VAL A 29 -5.118 24.311 13.357 1.00 15.17 N ATOM 288 CA VAL A 29 -4.463 23.881 12.120 1.00 15.82 C ATOM 289 C VAL A 29 -3.266 24.810 11.896 1.00 15.85 C ATOM 290 O VAL A 29 -2.189 24.334 11.553 1.00 16.64 O ATOM 291 CB VAL A 29 -5.487 23.923 10.877 1.00 15.67 C ATOM 292 CG1 VAL A 29 -4.778 23.654 9.542 1.00 15.46 C ATOM 293 CG2 VAL A 29 -6.481 22.749 10.944 1.00 15.26 C ATOM 294 H VAL A 29 -5.969 24.782 13.328 1.00 10.00 H ATOM 295 N CYS A 30 -3.378 26.122 12.098 1.00 15.45 N ATOM 296 CA CYS A 30 -2.229 27.038 12.025 1.00 15.27 C ATOM 297 C CYS A 30 -1.124 26.655 13.058 1.00 15.20 C ATOM 298 O CYS A 30 0.073 26.620 12.771 1.00 14.74 O ATOM 299 CB CYS A 30 -2.720 28.414 12.294 1.00 14.06 C ATOM 300 SG CYS A 30 -1.436 29.679 12.140 1.00 16.24 S ATOM 301 H CYS A 30 -4.276 26.489 12.218 1.00 10.00 H ATOM 302 N ALA A 31 -1.513 26.329 14.295 1.00 15.27 N ATOM 303 CA ALA A 31 -0.624 25.809 15.316 1.00 16.67 C ATOM 304 C ALA A 31 0.141 24.552 14.899 1.00 16.92 C ATOM 305 O ALA A 31 1.374 24.592 14.979 1.00 17.17 O ATOM 306 CB ALA A 31 -1.384 25.456 16.563 1.00 16.63 C ATOM 307 H ALA A 31 -2.440 26.515 14.537 1.00 10.00 H ATOM 308 N ALA A 32 -0.521 23.470 14.421 1.00 16.97 N ATOM 309 CA ALA A 32 0.161 22.265 13.879 1.00 16.27 C ATOM 310 C ALA A 32 1.103 22.530 12.678 1.00 16.49 C ATOM 311 O ALA A 32 2.255 22.075 12.589 1.00 16.03 O ATOM 312 CB ALA A 32 -0.878 21.270 13.440 1.00 15.68 C ATOM 313 H ALA A 32 -1.500 23.499 14.454 1.00 10.00 H ATOM 314 N LYS A 33 0.651 23.356 11.725 1.00 16.39 N ATOM 315 CA LYS A 33 1.506 23.865 10.649 1.00 16.86 C ATOM 316 C LYS A 33 2.843 24.397 11.116 1.00 17.14 C ATOM 317 O LYS A 33 3.861 23.836 10.730 1.00 18.38 O ATOM 318 CB LYS A 33 0.870 25.033 9.866 1.00 16.98 C ATOM 319 CG LYS A 33 1.730 25.613 8.766 1.00 18.22 C ATOM 320 CD LYS A 33 1.971 24.563 7.707 1.00 20.63 C ATOM 321 CE LYS A 33 3.079 24.993 6.791 1.00 23.16 C ATOM 322 NZ LYS A 33 3.239 23.987 5.739 1.00 24.73 N ATOM 323 H LYS A 33 -0.296 23.619 11.754 1.00 10.00 H ATOM 324 HZ1 LYS A 33 3.417 23.058 6.170 1.00 10.00 H ATOM 325 HZ2 LYS A 33 2.369 23.941 5.173 1.00 10.00 H ATOM 326 HZ3 LYS A 33 4.039 24.247 5.128 1.00 10.00 H ATOM 327 N PHE A 34 2.866 25.423 11.959 1.00 17.24 N ATOM 328 CA PHE A 34 4.131 26.023 12.382 1.00 17.26 C ATOM 329 C PHE A 34 4.884 25.264 13.474 1.00 17.20 C ATOM 330 O PHE A 34 6.103 25.414 13.637 1.00 17.75 O ATOM 331 CB PHE A 34 3.831 27.486 12.782 1.00 16.38 C ATOM 332 CG PHE A 34 3.394 28.247 11.530 1.00 17.13 C ATOM 333 CD1 PHE A 34 4.130 28.158 10.343 1.00 17.57 C ATOM 334 CD2 PHE A 34 2.243 28.997 11.543 1.00 17.30 C ATOM 335 CE1 PHE A 34 3.695 28.822 9.189 1.00 18.53 C ATOM 336 CE2 PHE A 34 1.822 29.654 10.384 1.00 18.30 C ATOM 337 CZ PHE A 34 2.527 29.582 9.203 1.00 18.37 C ATOM 338 H PHE A 34 2.008 25.805 12.254 1.00 10.00 H ATOM 339 N GLU A 35 4.182 24.396 14.205 1.00 16.36 N ATOM 340 CA GLU A 35 4.853 23.603 15.235 1.00 17.17 C ATOM 341 C GLU A 35 5.633 22.407 14.663 1.00 17.80 C ATOM 342 O GLU A 35 6.784 22.161 15.008 1.00 17.32 O ATOM 343 CB GLU A 35 3.836 23.062 16.288 1.00 17.17 C ATOM 344 CG GLU A 35 3.354 24.050 17.400 1.00 17.98 C ATOM 345 CD GLU A 35 4.407 24.743 18.291 1.00 18.84 C ATOM 346 OE1 GLU A 35 5.562 24.325 18.334 1.00 19.67 O ATOM 347 OE2 GLU A 35 4.099 25.740 18.938 1.00 20.08 O ATOM 348 H GLU A 35 3.211 24.348 14.087 1.00 10.00 H ATOM 349 N SER A 36 5.028 21.691 13.719 1.00 18.20 N ATOM 350 CA SER A 36 5.572 20.430 13.222 1.00 19.08 C ATOM 351 C SER A 36 5.495 20.244 11.721 1.00 19.68 C ATOM 352 O SER A 36 5.889 19.198 11.197 1.00 19.29 O ATOM 353 CB SER A 36 4.811 19.275 13.811 1.00 19.40 C ATOM 354 OG SER A 36 3.492 19.398 13.264 1.00 18.88 O ATOM 355 H SER A 36 4.140 21.986 13.428 1.00 10.00 H ATOM 356 HG SER A 36 2.929 19.681 14.003 1.00 10.00 H ATOM 357 N ASN A 37 4.824 21.192 11.046 1.00 19.90 N ATOM 358 CA ASN A 37 4.580 21.156 9.617 1.00 20.52 C ATOM 359 C ASN A 37 3.692 19.977 9.225 1.00 19.12 C ATOM 360 O ASN A 37 3.879 19.273 8.227 1.00 18.22 O ATOM 361 CB ASN A 37 5.966 21.147 8.940 1.00 22.72 C ATOM 362 CG ASN A 37 5.885 21.631 7.518 1.00 25.32 C ATOM 363 OD1 ASN A 37 6.595 21.153 6.639 1.00 28.35 O ATOM 364 ND2 ASN A 37 5.089 22.620 7.158 1.00 25.93 N ATOM 365 H ASN A 37 4.522 21.981 11.542 1.00 10.00 H ATOM 366 HD21 ASN A 37 5.065 22.755 6.193 1.00 10.00 H ATOM 367 HD22 ASN A 37 4.645 23.156 7.836 1.00 10.00 H ATOM 368 N PHE A 38 2.723 19.760 10.141 1.00 18.33 N ATOM 369 CA PHE A 38 1.749 18.664 10.044 1.00 17.66 C ATOM 370 C PHE A 38 2.290 17.222 10.111 1.00 17.77 C ATOM 371 O PHE A 38 1.625 16.247 9.737 1.00 17.86 O ATOM 372 CB PHE A 38 0.947 18.774 8.750 1.00 17.22 C ATOM 373 CG PHE A 38 0.258 20.105 8.531 1.00 17.37 C ATOM 374 CD1 PHE A 38 -0.447 20.723 9.548 1.00 16.94 C ATOM 375 CD2 PHE A 38 0.305 20.678 7.271 1.00 18.17 C ATOM 376 CE1 PHE A 38 -1.113 21.907 9.288 1.00 17.65 C ATOM 377 CE2 PHE A 38 -0.367 21.865 7.034 1.00 17.73 C ATOM 378 CZ PHE A 38 -1.080 22.481 8.039 1.00 17.22 C ATOM 379 H PHE A 38 2.703 20.345 10.929 1.00 10.00 H ATOM 380 N ASN A 39 3.499 17.046 10.655 1.00 17.11 N ATOM 381 CA ASN A 39 4.154 15.750 10.736 1.00 17.21 C ATOM 382 C ASN A 39 4.110 15.292 12.158 1.00 16.90 C ATOM 383 O ASN A 39 4.678 15.877 13.100 1.00 16.09 O ATOM 384 CB ASN A 39 5.599 15.852 10.251 1.00 17.86 C ATOM 385 CG ASN A 39 6.447 14.581 10.468 1.00 19.55 C ATOM 386 OD1 ASN A 39 5.958 13.465 10.675 1.00 20.61 O ATOM 387 ND2 ASN A 39 7.756 14.639 10.518 1.00 20.46 N ATOM 388 H ASN A 39 3.962 17.838 11.005 1.00 10.00 H ATOM 389 HD21 ASN A 39 8.232 13.790 10.623 1.00 10.00 H ATOM 390 HD22 ASN A 39 8.175 15.523 10.435 1.00 10.00 H ATOM 391 N THR A 40 3.386 14.181 12.245 1.00 16.51 N ATOM 392 CA THR A 40 3.197 13.540 13.558 1.00 17.38 C ATOM 393 C THR A 40 4.461 13.027 14.218 1.00 17.28 C ATOM 394 O THR A 40 4.474 12.845 15.431 1.00 17.54 O ATOM 395 CB THR A 40 2.239 12.310 13.566 1.00 17.03 C ATOM 396 OG1 THR A 40 2.834 11.171 12.925 1.00 17.40 O ATOM 397 CG2 THR A 40 0.940 12.744 12.911 1.00 17.70 C ATOM 398 H THR A 40 2.962 13.834 11.429 1.00 10.00 H ATOM 399 HG1 THR A 40 3.122 10.614 13.672 1.00 10.00 H ATOM 400 N GLN A 41 5.547 12.834 13.454 1.00 17.77 N ATOM 401 CA GLN A 41 6.777 12.329 14.072 1.00 17.91 C ATOM 402 C GLN A 41 7.782 13.413 14.424 1.00 17.83 C ATOM 403 O GLN A 41 8.885 13.040 14.843 1.00 18.23 O ATOM 404 CB GLN A 41 7.475 11.327 13.159 1.00 17.44 C ATOM 405 CG GLN A 41 6.639 10.094 12.851 1.00 18.53 C ATOM 406 CD GLN A 41 7.423 9.059 12.062 1.00 19.76 C ATOM 407 OE1 GLN A 41 7.250 8.900 10.850 1.00 19.59 O ATOM 408 NE2 GLN A 41 8.336 8.339 12.684 1.00 18.41 N ATOM 409 H GLN A 41 5.497 13.012 12.495 1.00 10.00 H ATOM 410 HE21 GLN A 41 8.780 7.738 12.056 1.00 10.00 H ATOM 411 HE22 GLN A 41 8.514 8.493 13.628 1.00 10.00 H ATOM 412 N ALA A 42 7.480 14.711 14.281 1.00 17.55 N ATOM 413 CA ALA A 42 8.514 15.736 14.553 1.00 18.10 C ATOM 414 C ALA A 42 8.870 15.839 16.034 1.00 18.31 C ATOM 415 O ALA A 42 8.044 15.665 16.935 1.00 18.21 O ATOM 416 CB ALA A 42 8.081 17.125 14.132 1.00 18.09 C ATOM 417 H ALA A 42 6.573 14.981 14.028 1.00 10.00 H ATOM 418 N THR A 43 10.159 15.908 16.317 1.00 18.23 N ATOM 419 CA THR A 43 10.620 16.049 17.695 1.00 18.25 C ATOM 420 C THR A 43 11.585 17.191 17.720 1.00 18.72 C ATOM 421 O THR A 43 12.275 17.469 16.740 1.00 19.37 O ATOM 422 CB THR A 43 11.356 14.784 18.255 1.00 17.40 C ATOM 423 OG1 THR A 43 12.420 14.408 17.351 1.00 17.55 O ATOM 424 CG2 THR A 43 10.390 13.609 18.408 1.00 16.45 C ATOM 425 H THR A 43 10.805 15.825 15.585 1.00 10.00 H ATOM 426 HG1 THR A 43 12.957 15.178 17.104 1.00 10.00 H ATOM 427 N ASN A 44 11.612 17.990 18.759 1.00 19.80 N ATOM 428 CA ASN A 44 12.655 19.034 18.868 1.00 21.02 C ATOM 429 C ASN A 44 13.198 19.156 20.281 1.00 21.07 C ATOM 430 O ASN A 44 12.405 19.220 21.216 1.00 20.35 O ATOM 431 CB ASN A 44 12.137 20.412 18.445 1.00 21.52 C ATOM 432 CG ASN A 44 12.074 20.492 16.927 1.00 24.09 C ATOM 433 OD1 ASN A 44 13.099 20.579 16.261 1.00 26.01 O ATOM 434 ND2 ASN A 44 10.958 20.452 16.209 1.00 23.69 N ATOM 435 H ASN A 44 10.925 17.875 19.450 1.00 10.00 H ATOM 436 HD21 ASN A 44 11.142 20.435 15.252 1.00 10.00 H ATOM 437 HD22 ASN A 44 10.081 20.430 16.631 1.00 10.00 H ATOM 438 N ARG A 45 14.513 19.125 20.483 1.00 22.15 N ATOM 439 CA ARG A 45 15.099 19.266 21.804 1.00 23.56 C ATOM 440 C ARG A 45 15.321 20.703 22.193 1.00 23.97 C ATOM 441 O ARG A 45 15.816 21.545 21.434 1.00 23.79 O ATOM 442 CB ARG A 45 16.443 18.598 21.920 1.00 25.31 C ATOM 443 CG ARG A 45 16.923 18.543 23.392 1.00 28.19 C ATOM 444 CD ARG A 45 16.522 17.265 24.097 1.00 30.73 C ATOM 445 NE ARG A 45 17.218 16.245 23.348 1.00 34.15 N ATOM 446 CZ ARG A 45 18.288 15.598 23.837 1.00 35.37 C ATOM 447 NH1 ARG A 45 18.586 15.616 25.144 1.00 35.30 N ATOM 448 NH2 ARG A 45 18.973 14.818 22.989 1.00 36.14 N ATOM 449 H ARG A 45 15.095 18.996 19.702 1.00 10.00 H ATOM 450 HE ARG A 45 16.891 15.999 22.457 1.00 10.00 H ATOM 451 HH11 ARG A 45 18.008 16.118 25.787 1.00 10.00 H ATOM 452 HH12 ARG A 45 19.390 15.123 25.476 1.00 10.00 H ATOM 453 HH21 ARG A 45 18.678 14.736 22.037 1.00 10.00 H ATOM 454 HH22 ARG A 45 19.775 14.314 23.310 1.00 10.00 H ATOM 455 N ASN A 46 14.920 20.976 23.411 1.00 24.49 N ATOM 456 CA ASN A 46 15.074 22.310 23.997 1.00 25.76 C ATOM 457 C ASN A 46 16.395 22.502 24.743 1.00 26.09 C ATOM 458 O ASN A 46 17.074 21.543 25.130 1.00 25.85 O ATOM 459 CB ASN A 46 13.893 22.596 24.965 1.00 25.70 C ATOM 460 CG ASN A 46 12.509 22.362 24.355 1.00 25.27 C ATOM 461 OD1 ASN A 46 11.646 21.689 24.893 1.00 26.39 O ATOM 462 ND2 ASN A 46 12.143 22.840 23.210 1.00 25.39 N ATOM 463 H ASN A 46 14.558 20.234 23.938 1.00 10.00 H ATOM 464 HD21 ASN A 46 11.224 22.615 22.987 1.00 10.00 H ATOM 465 HD22 ASN A 46 12.752 23.368 22.665 1.00 10.00 H ATOM 466 N THR A 47 16.765 23.753 25.017 1.00 27.15 N ATOM 467 CA THR A 47 18.030 23.987 25.723 1.00 28.39 C ATOM 468 C THR A 47 17.987 23.544 27.201 1.00 27.46 C ATOM 469 O THR A 47 18.998 23.053 27.707 1.00 27.54 O ATOM 470 CB THR A 47 18.471 25.516 25.593 1.00 29.98 C ATOM 471 OG1 THR A 47 19.634 25.696 26.423 1.00 32.18 O ATOM 472 CG2 THR A 47 17.366 26.506 25.971 1.00 30.71 C ATOM 473 H THR A 47 16.167 24.489 24.779 1.00 10.00 H ATOM 474 HG1 THR A 47 20.128 24.872 26.537 1.00 10.00 H ATOM 475 N ASP A 48 16.836 23.558 27.887 1.00 26.06 N ATOM 476 CA ASP A 48 16.777 23.014 29.232 1.00 25.05 C ATOM 477 C ASP A 48 16.864 21.480 29.337 1.00 24.79 C ATOM 478 O ASP A 48 16.661 20.929 30.422 1.00 25.99 O ATOM 479 CB ASP A 48 15.477 23.460 29.915 1.00 24.97 C ATOM 480 CG ASP A 48 14.180 22.914 29.318 1.00 25.10 C ATOM 481 OD1 ASP A 48 14.154 22.158 28.365 1.00 25.37 O ATOM 482 OD2 ASP A 48 13.131 23.276 29.790 1.00 26.38 O ATOM 483 H ASP A 48 16.059 24.018 27.500 1.00 10.00 H ATOM 484 N GLY A 49 17.062 20.693 28.275 1.00 23.94 N ATOM 485 CA GLY A 49 17.040 19.238 28.386 1.00 22.31 C ATOM 486 C GLY A 49 15.714 18.554 28.016 1.00 21.76 C ATOM 487 O GLY A 49 15.666 17.342 27.703 1.00 22.66 O ATOM 488 H GLY A 49 17.301 21.110 27.421 1.00 10.00 H ATOM 489 N SER A 50 14.576 19.250 28.071 1.00 19.97 N ATOM 490 CA SER A 50 13.343 18.627 27.604 1.00 18.45 C ATOM 491 C SER A 50 13.211 18.503 26.083 1.00 17.83 C ATOM 492 O SER A 50 13.951 19.075 25.290 1.00 17.78 O ATOM 493 CB SER A 50 12.132 19.384 28.113 1.00 17.69 C ATOM 494 OG SER A 50 12.025 20.673 27.540 1.00 18.17 O ATOM 495 H SER A 50 14.573 20.111 28.526 1.00 10.00 H ATOM 496 HG SER A 50 11.934 20.652 26.574 1.00 10.00 H ATOM 497 N THR A 51 12.225 17.780 25.604 1.00 17.45 N ATOM 498 CA THR A 51 12.004 17.578 24.175 1.00 16.84 C ATOM 499 C THR A 51 10.526 17.827 23.867 1.00 16.16 C ATOM 500 O THR A 51 9.644 17.565 24.703 1.00 15.72 O ATOM 501 CB THR A 51 12.370 16.094 23.730 1.00 16.76 C ATOM 502 OG1 THR A 51 13.696 15.836 24.175 1.00 16.67 O ATOM 503 CG2 THR A 51 12.337 15.843 22.217 1.00 16.19 C ATOM 504 H THR A 51 11.650 17.306 26.243 1.00 10.00 H ATOM 505 HG1 THR A 51 13.756 14.867 24.143 1.00 10.00 H ATOM 506 N ASP A 52 10.240 18.420 22.712 1.00 15.40 N ATOM 507 CA ASP A 52 8.876 18.566 22.205 1.00 16.38 C ATOM 508 C ASP A 52 8.490 17.514 21.141 1.00 15.92 C ATOM 509 O ASP A 52 9.274 17.121 20.263 1.00 16.11 O ATOM 510 CB ASP A 52 8.732 19.907 21.623 1.00 18.10 C ATOM 511 CG ASP A 52 9.043 21.037 22.570 1.00 19.36 C ATOM 512 OD1 ASP A 52 8.909 20.943 23.786 1.00 20.20 O ATOM 513 OD2 ASP A 52 9.433 22.065 22.046 1.00 22.99 O ATOM 514 H ASP A 52 10.979 18.831 22.236 1.00 10.00 H ATOM 515 N TYR A 53 7.266 17.004 21.300 1.00 15.77 N ATOM 516 CA TYR A 53 6.813 15.809 20.586 1.00 15.76 C ATOM 517 C TYR A 53 5.549 15.917 19.738 1.00 15.96 C ATOM 518 O TYR A 53 4.503 16.404 20.209 1.00 15.80 O ATOM 519 CB TYR A 53 6.567 14.692 21.577 1.00 15.37 C ATOM 520 CG TYR A 53 7.828 14.136 22.241 1.00 15.83 C ATOM 521 CD1 TYR A 53 8.564 13.115 21.650 1.00 15.64 C ATOM 522 CD2 TYR A 53 8.265 14.726 23.422 1.00 16.52 C ATOM 523 CE1 TYR A 53 9.742 12.703 22.241 1.00 14.95 C ATOM 524 CE2 TYR A 53 9.435 14.319 24.005 1.00 15.71 C ATOM 525 CZ TYR A 53 10.155 13.316 23.410 1.00 15.36 C ATOM 526 OH TYR A 53 11.305 12.931 24.070 1.00 15.84 O ATOM 527 H TYR A 53 6.694 17.386 21.998 1.00 10.00 H ATOM 528 HH TYR A 53 11.908 12.451 23.490 1.00 10.00 H ATOM 529 N GLY A 54 5.614 15.470 18.490 1.00 15.41 N ATOM 530 CA GLY A 54 4.401 15.335 17.685 1.00 15.76 C ATOM 531 C GLY A 54 3.884 16.581 16.974 1.00 15.22 C ATOM 532 O GLY A 54 4.466 17.648 16.955 1.00 15.03 O ATOM 533 H GLY A 54 6.499 15.344 18.085 1.00 10.00 H ATOM 534 N ILE A 55 2.703 16.387 16.426 1.00 15.98 N ATOM 535 CA ILE A 55 1.942 17.365 15.643 1.00 17.43 C ATOM 536 C ILE A 55 1.813 18.759 16.314 1.00 17.31 C ATOM 537 O ILE A 55 1.891 19.838 15.714 1.00 18.53 O ATOM 538 CB ILE A 55 0.561 16.584 15.353 1.00 18.39 C ATOM 539 CG1 ILE A 55 -0.155 17.267 14.245 1.00 20.72 C ATOM 540 CG2 ILE A 55 -0.392 16.543 16.560 1.00 18.00 C ATOM 541 CD1 ILE A 55 0.354 16.792 12.901 1.00 21.87 C ATOM 542 H ILE A 55 2.331 15.494 16.559 1.00 10.00 H ATOM 543 N LEU A 56 1.618 18.769 17.621 1.00 17.34 N ATOM 544 CA LEU A 56 1.533 19.990 18.406 1.00 17.37 C ATOM 545 C LEU A 56 2.747 20.235 19.334 1.00 16.95 C ATOM 546 O LEU A 56 2.715 21.103 20.210 1.00 17.56 O ATOM 547 CB LEU A 56 0.208 19.943 19.211 1.00 17.51 C ATOM 548 CG LEU A 56 -1.052 20.037 18.350 1.00 17.88 C ATOM 549 CD1 LEU A 56 -2.298 19.719 19.128 1.00 18.01 C ATOM 550 CD2 LEU A 56 -1.016 21.383 17.721 1.00 17.58 C ATOM 551 H LEU A 56 1.559 17.905 18.085 1.00 10.00 H ATOM 552 N GLN A 57 3.844 19.492 19.199 1.00 15.66 N ATOM 553 CA GLN A 57 5.067 19.743 19.931 1.00 16.10 C ATOM 554 C GLN A 57 4.896 19.913 21.448 1.00 16.30 C ATOM 555 O GLN A 57 5.300 20.869 22.102 1.00 16.16 O ATOM 556 CB GLN A 57 5.771 21.005 19.300 1.00 15.94 C ATOM 557 CG GLN A 57 6.309 20.867 17.902 1.00 14.88 C ATOM 558 CD GLN A 57 7.393 19.832 17.904 1.00 15.34 C ATOM 559 OE1 GLN A 57 7.194 18.631 17.768 1.00 15.70 O ATOM 560 NE2 GLN A 57 8.611 20.229 18.121 1.00 13.26 N ATOM 561 H GLN A 57 3.844 18.784 18.519 1.00 10.00 H ATOM 562 HE21 GLN A 57 9.244 19.491 18.150 1.00 10.00 H ATOM 563 HE22 GLN A 57 8.799 21.184 18.251 1.00 10.00 H ATOM 564 N ILE A 58 4.259 18.910 22.003 1.00 16.74 N ATOM 565 CA ILE A 58 4.015 18.872 23.420 1.00 17.62 C ATOM 566 C ILE A 58 5.287 18.455 24.168 1.00 18.13 C ATOM 567 O ILE A 58 6.017 17.509 23.853 1.00 17.72 O ATOM 568 CB ILE A 58 2.807 17.925 23.622 1.00 17.35 C ATOM 569 CG1 ILE A 58 1.533 18.620 23.059 1.00 17.65 C ATOM 570 CG2 ILE A 58 2.645 17.578 25.102 1.00 16.50 C ATOM 571 CD1 ILE A 58 0.242 17.736 23.132 1.00 19.08 C ATOM 572 H ILE A 58 3.981 18.169 21.422 1.00 10.00 H ATOM 573 N ASN A 59 5.553 19.300 25.161 1.00 18.74 N ATOM 574 CA ASN A 59 6.778 19.246 25.960 1.00 19.14 C ATOM 575 C ASN A 59 6.850 18.216 27.105 1.00 18.65 C ATOM 576 O ASN A 59 5.967 18.071 27.958 1.00 18.86 O ATOM 577 CB ASN A 59 6.988 20.677 26.464 1.00 19.69 C ATOM 578 CG ASN A 59 8.262 20.900 27.254 1.00 20.66 C ATOM 579 OD1 ASN A 59 8.317 20.797 28.458 1.00 21.43 O ATOM 580 ND2 ASN A 59 9.395 21.218 26.722 1.00 21.51 N ATOM 581 H ASN A 59 4.897 20.016 25.320 1.00 10.00 H ATOM 582 HD21 ASN A 59 10.108 21.325 27.385 1.00 10.00 H ATOM 583 HD22 ASN A 59 9.512 21.353 25.765 1.00 10.00 H ATOM 584 N SER A 60 7.975 17.525 27.163 1.00 18.25 N ATOM 585 CA SER A 60 8.233 16.520 28.173 1.00 18.12 C ATOM 586 C SER A 60 8.545 17.058 29.565 1.00 18.96 C ATOM 587 O SER A 60 8.457 16.264 30.491 1.00 18.58 O ATOM 588 CB SER A 60 9.381 15.653 27.731 1.00 17.80 C ATOM 589 OG SER A 60 10.595 16.401 27.805 1.00 17.97 O ATOM 590 H SER A 60 8.619 17.636 26.426 1.00 10.00 H ATOM 591 HG SER A 60 11.332 15.770 27.908 1.00 10.00 H ATOM 592 N ARG A 61 8.861 18.349 29.849 1.00 20.18 N ATOM 593 CA ARG A 61 9.083 18.886 31.216 1.00 22.27 C ATOM 594 C ARG A 61 7.776 18.880 32.027 1.00 22.82 C ATOM 595 O ARG A 61 7.712 18.498 33.207 1.00 22.38 O ATOM 596 CB ARG A 61 9.646 20.317 31.128 1.00 23.52 C ATOM 597 CG ARG A 61 9.705 21.221 32.350 1.00 26.39 C ATOM 598 CD ARG A 61 10.839 21.015 33.313 1.00 29.71 C ATOM 599 NE ARG A 61 10.472 21.630 34.596 1.00 32.42 N ATOM 600 CZ ARG A 61 10.737 21.080 35.809 1.00 33.86 C ATOM 601 NH1 ARG A 61 11.483 19.969 35.984 1.00 35.06 N ATOM 602 NH2 ARG A 61 10.291 21.688 36.917 1.00 35.19 N ATOM 603 H ARG A 61 8.974 18.953 29.086 1.00 10.00 H ATOM 604 HE ARG A 61 10.009 22.494 34.578 1.00 10.00 H ATOM 605 HH11 ARG A 61 11.876 19.498 35.195 1.00 10.00 H ATOM 606 HH12 ARG A 61 11.639 19.613 36.906 1.00 10.00 H ATOM 607 HH21 ARG A 61 9.771 22.538 36.842 1.00 10.00 H ATOM 608 HH22 ARG A 61 10.481 21.294 37.815 1.00 10.00 H ATOM 609 N TRP A 62 6.656 19.166 31.337 1.00 23.61 N ATOM 610 CA TRP A 62 5.339 19.137 31.992 1.00 24.15 C ATOM 611 C TRP A 62 4.313 18.074 31.623 1.00 23.02 C ATOM 612 O TRP A 62 3.517 17.604 32.451 1.00 22.83 O ATOM 613 CB TRP A 62 4.635 20.484 31.797 1.00 26.74 C ATOM 614 CG TRP A 62 5.540 21.671 32.124 1.00 30.16 C ATOM 615 CD1 TRP A 62 5.791 22.091 33.425 1.00 31.72 C ATOM 616 CD2 TRP A 62 6.173 22.428 31.187 1.00 32.23 C ATOM 617 NE1 TRP A 62 6.587 23.123 33.292 1.00 32.79 N ATOM 618 CE2 TRP A 62 6.830 23.359 31.983 1.00 33.59 C ATOM 619 CE3 TRP A 62 6.275 22.461 29.808 1.00 34.96 C ATOM 620 CZ2 TRP A 62 7.609 24.360 31.394 1.00 35.99 C ATOM 621 CZ3 TRP A 62 7.054 23.459 29.211 1.00 35.97 C ATOM 622 CH2 TRP A 62 7.716 24.405 29.999 1.00 36.25 C ATOM 623 H TRP A 62 6.757 19.481 30.413 1.00 10.00 H ATOM 624 HE1 TRP A 62 6.974 23.633 34.031 1.00 10.00 H ATOM 625 N TRP A 63 4.322 17.664 30.349 1.00 21.32 N ATOM 626 CA TRP A 63 3.131 16.995 29.851 1.00 20.18 C ATOM 627 C TRP A 63 3.168 15.528 29.589 1.00 20.14 C ATOM 628 O TRP A 63 2.157 14.864 29.772 1.00 20.16 O ATOM 629 CB TRP A 63 2.642 17.766 28.577 1.00 18.94 C ATOM 630 CG TRP A 63 2.331 19.233 28.917 1.00 18.64 C ATOM 631 CD1 TRP A 63 3.184 20.234 28.517 1.00 19.49 C ATOM 632 CD2 TRP A 63 1.279 19.707 29.680 1.00 17.95 C ATOM 633 NE1 TRP A 63 2.690 21.330 29.036 1.00 19.52 N ATOM 634 CE2 TRP A 63 1.561 21.069 29.726 1.00 18.27 C ATOM 635 CE3 TRP A 63 0.142 19.201 30.335 1.00 17.71 C ATOM 636 CZ2 TRP A 63 0.728 21.948 30.413 1.00 17.85 C ATOM 637 CZ3 TRP A 63 -0.692 20.076 31.029 1.00 17.48 C ATOM 638 CH2 TRP A 63 -0.396 21.433 31.063 1.00 17.81 C ATOM 639 H TRP A 63 5.050 17.915 29.742 1.00 10.00 H ATOM 640 HE1 TRP A 63 3.078 22.224 28.924 1.00 10.00 H ATOM 641 N CYS A 64 4.343 15.006 29.242 1.00 19.59 N ATOM 642 CA CYS A 64 4.501 13.571 28.988 1.00 18.82 C ATOM 643 C CYS A 64 5.792 12.974 29.564 1.00 18.77 C ATOM 644 O CYS A 64 6.759 13.666 29.914 1.00 18.48 O ATOM 645 CB CYS A 64 4.448 13.318 27.472 1.00 18.35 C ATOM 646 SG CYS A 64 5.744 14.122 26.466 1.00 16.72 S ATOM 647 H CYS A 64 5.107 15.605 29.117 1.00 10.00 H ATOM 648 N ASN A 65 5.835 11.666 29.740 1.00 18.99 N ATOM 649 CA ASN A 65 7.069 11.042 30.209 1.00 19.56 C ATOM 650 C ASN A 65 7.960 10.479 29.093 1.00 18.37 C ATOM 651 O ASN A 65 7.537 9.640 28.293 1.00 17.45 O ATOM 652 CB ASN A 65 6.719 9.931 31.208 1.00 20.78 C ATOM 653 CG ASN A 65 7.975 9.480 31.959 1.00 23.61 C ATOM 654 OD1 ASN A 65 8.140 8.313 32.287 1.00 27.05 O ATOM 655 ND2 ASN A 65 8.987 10.232 32.322 1.00 23.90 N ATOM 656 H ASN A 65 5.005 11.155 29.618 1.00 10.00 H ATOM 657 HD21 ASN A 65 9.695 9.751 32.790 1.00 10.00 H ATOM 658 HD22 ASN A 65 8.962 11.200 32.175 1.00 10.00 H ATOM 659 N ASP A 66 9.178 10.973 28.963 1.00 17.59 N ATOM 660 CA ASP A 66 10.088 10.385 27.986 1.00 17.81 C ATOM 661 C ASP A 66 11.283 9.697 28.633 1.00 18.35 C ATOM 662 O ASP A 66 12.286 9.360 27.977 1.00 19.15 O ATOM 663 CB ASP A 66 10.614 11.443 26.979 1.00 16.76 C ATOM 664 CG ASP A 66 11.466 12.602 27.447 1.00 16.29 C ATOM 665 OD1 ASP A 66 11.837 12.699 28.608 1.00 17.18 O ATOM 666 OD2 ASP A 66 11.775 13.445 26.632 1.00 15.96 O ATOM 667 H ASP A 66 9.418 11.774 29.478 1.00 10.00 H ATOM 668 N GLY A 67 11.254 9.603 29.951 1.00 18.41 N ATOM 669 CA GLY A 67 12.346 8.974 30.688 1.00 20.38 C ATOM 670 C GLY A 67 13.653 9.752 30.655 1.00 21.40 C ATOM 671 O GLY A 67 14.588 9.339 31.319 1.00 23.05 O ATOM 672 H GLY A 67 10.489 9.973 30.432 1.00 10.00 H ATOM 673 N ARG A 68 13.873 10.824 29.894 1.00 21.88 N ATOM 674 CA ARG A 68 15.121 11.561 29.992 1.00 23.05 C ATOM 675 C ARG A 68 14.981 13.039 30.344 1.00 24.29 C ATOM 676 O ARG A 68 15.832 13.863 30.007 1.00 25.16 O ATOM 677 CB ARG A 68 15.914 11.440 28.682 1.00 22.46 C ATOM 678 CG ARG A 68 15.213 11.913 27.463 1.00 22.46 C ATOM 679 CD ARG A 68 16.256 12.086 26.388 1.00 22.39 C ATOM 680 NE ARG A 68 15.801 13.036 25.381 1.00 22.39 N ATOM 681 CZ ARG A 68 16.149 12.966 24.082 1.00 22.33 C ATOM 682 NH1 ARG A 68 16.995 11.995 23.724 1.00 21.93 N ATOM 683 NH2 ARG A 68 15.673 13.866 23.172 1.00 19.97 N ATOM 684 H ARG A 68 13.269 10.986 29.146 1.00 10.00 H ATOM 685 HE ARG A 68 15.211 13.766 25.658 1.00 10.00 H ATOM 686 HH11 ARG A 68 17.346 11.357 24.410 1.00 10.00 H ATOM 687 HH12 ARG A 68 17.272 11.879 22.781 1.00 10.00 H ATOM 688 HH21 ARG A 68 15.058 14.597 23.465 1.00 10.00 H ATOM 689 HH22 ARG A 68 15.943 13.794 22.212 1.00 10.00 H ATOM 690 N THR A 69 13.899 13.435 31.014 1.00 24.82 N ATOM 691 CA THR A 69 13.753 14.816 31.455 1.00 25.86 C ATOM 692 C THR A 69 13.595 14.841 32.992 1.00 27.74 C ATOM 693 O THR A 69 12.527 14.627 33.597 1.00 28.22 O ATOM 694 CB THR A 69 12.536 15.488 30.773 1.00 24.61 C ATOM 695 OG1 THR A 69 12.632 15.319 29.351 1.00 23.47 O ATOM 696 CG2 THR A 69 12.497 16.959 31.079 1.00 23.27 C ATOM 697 H THR A 69 13.236 12.757 31.264 1.00 10.00 H ATOM 698 HG1 THR A 69 13.546 15.361 29.025 1.00 10.00 H ATOM 699 N PRO A 70 14.707 15.014 33.701 1.00 29.81 N ATOM 700 CA PRO A 70 14.627 14.959 35.171 1.00 31.10 C ATOM 701 C PRO A 70 13.705 16.015 35.829 1.00 32.02 C ATOM 702 O PRO A 70 13.567 17.144 35.354 1.00 31.73 O ATOM 703 CB PRO A 70 16.078 15.049 35.580 1.00 31.04 C ATOM 704 CG PRO A 70 16.765 14.327 34.425 1.00 31.38 C ATOM 705 CD PRO A 70 16.099 14.973 33.248 1.00 30.68 C ATOM 706 N GLY A 71 12.952 15.714 36.885 1.00 32.96 N ATOM 707 CA GLY A 71 12.059 16.753 37.406 1.00 33.86 C ATOM 708 C GLY A 71 10.760 16.902 36.604 1.00 34.18 C ATOM 709 O GLY A 71 9.825 17.520 37.093 1.00 35.38 O ATOM 710 H GLY A 71 13.013 14.830 37.312 1.00 10.00 H ATOM 711 N SER A 72 10.587 16.377 35.390 1.00 33.87 N ATOM 712 CA SER A 72 9.304 16.387 34.663 1.00 33.49 C ATOM 713 C SER A 72 8.014 15.887 35.381 1.00 33.09 C ATOM 714 O SER A 72 7.959 14.846 36.074 1.00 32.24 O ATOM 715 CB SER A 72 9.474 15.568 33.395 1.00 33.79 C ATOM 716 OG SER A 72 8.266 15.023 32.798 1.00 36.54 O ATOM 717 H SER A 72 11.388 16.015 34.959 1.00 10.00 H ATOM 718 HG SER A 72 7.988 15.651 32.117 1.00 10.00 H ATOM 719 N ARG A 73 6.898 16.582 35.137 1.00 32.25 N ATOM 720 CA ARG A 73 5.614 16.248 35.765 1.00 31.38 C ATOM 721 C ARG A 73 4.603 15.305 35.111 1.00 30.26 C ATOM 722 O ARG A 73 3.644 14.942 35.791 1.00 31.25 O ATOM 723 CB ARG A 73 4.830 17.497 36.063 1.00 32.71 C ATOM 724 CG ARG A 73 5.144 18.185 37.356 1.00 35.26 C ATOM 725 CD ARG A 73 3.833 18.506 38.123 1.00 38.50 C ATOM 726 NE ARG A 73 2.808 19.339 37.460 1.00 39.73 N ATOM 727 CZ ARG A 73 2.135 20.317 38.120 1.00 40.70 C ATOM 728 NH1 ARG A 73 2.494 20.719 39.348 1.00 40.72 N ATOM 729 NH2 ARG A 73 1.123 20.971 37.528 1.00 40.86 N ATOM 730 H ARG A 73 6.998 17.405 34.617 1.00 10.00 H ATOM 731 HE ARG A 73 2.618 19.191 36.512 1.00 10.00 H ATOM 732 HH11 ARG A 73 1.977 21.442 39.805 1.00 10.00 H ATOM 733 HH12 ARG A 73 3.276 20.299 39.807 1.00 10.00 H ATOM 734 HH21 ARG A 73 0.859 20.741 36.592 1.00 10.00 H ATOM 735 HH22 ARG A 73 0.637 21.692 38.022 1.00 10.00 H ATOM 736 N ASN A 74 4.728 14.863 33.862 1.00 27.91 N ATOM 737 CA ASN A 74 3.791 13.977 33.164 1.00 25.63 C ATOM 738 C ASN A 74 2.303 14.184 33.384 1.00 25.12 C ATOM 739 O ASN A 74 1.535 13.245 33.596 1.00 24.43 O ATOM 740 CB ASN A 74 4.133 12.536 33.483 1.00 25.30 C ATOM 741 CG ASN A 74 3.561 11.570 32.470 1.00 25.71 C ATOM 742 OD1 ASN A 74 3.048 11.958 31.426 1.00 26.34 O ATOM 743 ND2 ASN A 74 3.578 10.262 32.608 1.00 26.12 N ATOM 744 H ASN A 74 5.534 15.164 33.402 1.00 10.00 H ATOM 745 HD21 ASN A 74 3.215 9.743 31.865 1.00 10.00 H ATOM 746 HD22 ASN A 74 3.957 9.898 33.431 1.00 10.00 H ATOM 747 N LEU A 75 1.842 15.429 33.239 1.00 24.64 N ATOM 748 CA LEU A 75 0.428 15.750 33.508 1.00 24.48 C ATOM 749 C LEU A 75 -0.596 15.132 32.581 1.00 23.82 C ATOM 750 O LEU A 75 -1.721 14.837 32.990 1.00 23.69 O ATOM 751 CB LEU A 75 0.247 17.275 33.528 1.00 25.18 C ATOM 752 CG LEU A 75 0.988 17.967 34.655 1.00 25.54 C ATOM 753 CD1 LEU A 75 1.058 19.436 34.411 1.00 26.93 C ATOM 754 CD2 LEU A 75 0.263 17.706 35.948 1.00 26.74 C ATOM 755 H LEU A 75 2.478 16.136 33.019 1.00 10.00 H ATOM 756 N CYS A 76 -0.242 14.835 31.329 1.00 22.76 N ATOM 757 CA CYS A 76 -1.189 14.097 30.497 1.00 22.75 C ATOM 758 C CYS A 76 -1.180 12.588 30.720 1.00 23.21 C ATOM 759 O CYS A 76 -1.932 11.875 30.071 1.00 22.93 O ATOM 760 CB CYS A 76 -0.927 14.388 29.022 1.00 21.59 C ATOM 761 SG CYS A 76 -1.327 16.132 28.682 1.00 21.80 S ATOM 762 H CYS A 76 0.628 15.128 30.985 1.00 10.00 H ATOM 763 N ASN A 77 -0.382 12.072 31.673 1.00 24.36 N ATOM 764 CA ASN A 77 -0.183 10.656 31.991 1.00 25.53 C ATOM 765 C ASN A 77 0.030 9.686 30.837 1.00 25.22 C ATOM 766 O ASN A 77 -0.643 8.658 30.638 1.00 24.74 O ATOM 767 CB ASN A 77 -1.343 10.140 32.819 1.00 28.99 C ATOM 768 CG ASN A 77 -0.734 9.348 33.963 1.00 32.23 C ATOM 769 OD1 ASN A 77 -0.666 9.787 35.120 1.00 35.07 O ATOM 770 ND2 ASN A 77 -0.198 8.168 33.717 1.00 33.27 N ATOM 771 H ASN A 77 0.098 12.712 32.241 1.00 10.00 H ATOM 772 HD21 ASN A 77 0.165 7.719 34.498 1.00 10.00 H ATOM 773 HD22 ASN A 77 -0.158 7.823 32.804 1.00 10.00 H ATOM 774 N ILE A 78 1.087 10.027 30.101 1.00 24.40 N ATOM 775 CA ILE A 78 1.341 9.310 28.889 1.00 24.07 C ATOM 776 C ILE A 78 2.818 9.271 28.478 1.00 23.13 C ATOM 777 O ILE A 78 3.527 10.256 28.713 1.00 22.55 O ATOM 778 CB ILE A 78 0.405 10.007 27.896 1.00 24.65 C ATOM 779 CG1 ILE A 78 -0.120 8.918 27.028 1.00 25.52 C ATOM 780 CG2 ILE A 78 1.073 11.177 27.175 1.00 25.17 C ATOM 781 CD1 ILE A 78 -1.233 9.323 26.075 1.00 27.36 C ATOM 782 H ILE A 78 1.655 10.779 30.378 1.00 10.00 H ATOM 783 N PRO A 79 3.347 8.179 27.878 1.00 22.36 N ATOM 784 CA PRO A 79 4.715 8.240 27.345 1.00 20.67 C ATOM 785 C PRO A 79 4.733 9.210 26.189 1.00 19.48 C ATOM 786 O PRO A 79 3.855 9.203 25.316 1.00 18.63 O ATOM 787 CB PRO A 79 5.070 6.845 26.911 1.00 20.89 C ATOM 788 CG PRO A 79 3.747 6.243 26.516 1.00 22.36 C ATOM 789 CD PRO A 79 2.780 6.853 27.563 1.00 21.80 C ATOM 790 N CYS A 80 5.745 10.063 26.144 1.00 18.98 N ATOM 791 CA CYS A 80 5.861 10.998 25.006 1.00 18.07 C ATOM 792 C CYS A 80 5.796 10.354 23.608 1.00 18.21 C ATOM 793 O CYS A 80 5.255 10.925 22.664 1.00 18.22 O ATOM 794 CB CYS A 80 7.163 11.804 25.116 1.00 17.15 C ATOM 795 SG CYS A 80 7.318 12.846 26.587 1.00 16.49 S ATOM 796 H CYS A 80 6.331 10.127 26.926 1.00 10.00 H ATOM 797 N SER A 81 6.227 9.098 23.434 1.00 18.58 N ATOM 798 CA SER A 81 6.134 8.411 22.135 1.00 18.97 C ATOM 799 C SER A 81 4.712 8.160 21.692 1.00 19.35 C ATOM 800 O SER A 81 4.457 8.047 20.513 1.00 19.96 O ATOM 801 CB SER A 81 6.844 7.063 22.157 1.00 19.07 C ATOM 802 OG SER A 81 6.306 6.276 23.210 1.00 19.93 O ATOM 803 H SER A 81 6.525 8.592 24.213 1.00 10.00 H ATOM 804 HG SER A 81 5.622 5.703 22.830 1.00 10.00 H ATOM 805 N ALA A 82 3.722 8.139 22.574 1.00 20.26 N ATOM 806 CA ALA A 82 2.313 8.049 22.157 1.00 21.50 C ATOM 807 C ALA A 82 1.861 9.244 21.309 1.00 21.95 C ATOM 808 O ALA A 82 1.005 9.173 20.419 1.00 22.26 O ATOM 809 CB ALA A 82 1.397 7.995 23.370 1.00 22.05 C ATOM 810 H ALA A 82 3.934 8.221 23.526 1.00 10.00 H ATOM 811 N LEU A 83 2.541 10.366 21.584 1.00 22.04 N ATOM 812 CA LEU A 83 2.374 11.620 20.840 1.00 22.07 C ATOM 813 C LEU A 83 2.885 11.637 19.402 1.00 21.75 C ATOM 814 O LEU A 83 2.505 12.502 18.617 1.00 21.26 O ATOM 815 CB LEU A 83 3.047 12.752 21.645 1.00 22.48 C ATOM 816 CG LEU A 83 2.220 13.483 22.731 1.00 23.11 C ATOM 817 CD1 LEU A 83 0.928 12.743 23.082 1.00 22.76 C ATOM 818 CD2 LEU A 83 3.141 13.710 23.897 1.00 22.05 C ATOM 819 H LEU A 83 3.174 10.351 22.332 1.00 10.00 H ATOM 820 N LEU A 84 3.694 10.665 18.997 1.00 21.73 N ATOM 821 CA LEU A 84 4.213 10.605 17.639 1.00 22.49 C ATOM 822 C LEU A 84 3.428 9.705 16.681 1.00 23.30 C ATOM 823 O LEU A 84 3.771 9.566 15.495 1.00 24.43 O ATOM 824 CB LEU A 84 5.660 10.146 17.708 1.00 21.68 C ATOM 825 CG LEU A 84 6.624 10.935 18.611 1.00 21.02 C ATOM 826 CD1 LEU A 84 8.032 10.404 18.454 1.00 20.92 C ATOM 827 CD2 LEU A 84 6.639 12.383 18.194 1.00 19.87 C ATOM 828 H LEU A 84 3.957 9.988 19.656 1.00 10.00 H ATOM 829 N SER A 85 2.374 9.062 17.176 1.00 23.00 N ATOM 830 CA SER A 85 1.515 8.201 16.379 1.00 23.52 C ATOM 831 C SER A 85 0.778 8.847 15.212 1.00 23.33 C ATOM 832 O SER A 85 0.489 10.044 15.224 1.00 22.37 O ATOM 833 CB SER A 85 0.427 7.561 17.233 1.00 24.52 C ATOM 834 OG SER A 85 -0.492 6.773 16.443 1.00 26.66 O ATOM 835 H SER A 85 2.173 9.211 18.125 1.00 10.00 H ATOM 836 HG SER A 85 -1.061 6.258 17.034 1.00 10.00 H ATOM 837 N SER A 86 0.407 8.078 14.182 1.00 23.85 N ATOM 838 CA SER A 86 -0.400 8.630 13.093 1.00 24.18 C ATOM 839 C SER A 86 -1.866 8.880 13.467 1.00 24.47 C ATOM 840 O SER A 86 -2.637 9.526 12.746 1.00 25.00 O ATOM 841 CB SER A 86 -0.368 7.710 11.923 1.00 25.39 C ATOM 842 OG SER A 86 -0.912 6.430 12.215 1.00 28.15 O ATOM 843 H SER A 86 0.597 7.118 14.216 1.00 10.00 H ATOM 844 HG SER A 86 -1.051 5.984 11.369 1.00 10.00 H ATOM 845 N ASP A 87 -2.308 8.309 14.579 1.00 23.88 N ATOM 846 CA ASP A 87 -3.603 8.637 15.168 1.00 23.92 C ATOM 847 C ASP A 87 -3.407 9.816 16.120 1.00 22.65 C ATOM 848 O ASP A 87 -2.775 9.708 17.170 1.00 22.58 O ATOM 849 CB ASP A 87 -4.205 7.488 16.002 1.00 26.15 C ATOM 850 CG ASP A 87 -5.516 7.842 16.750 1.00 27.86 C ATOM 851 OD1 ASP A 87 -6.249 8.746 16.368 1.00 30.19 O ATOM 852 OD2 ASP A 87 -5.832 7.210 17.742 1.00 29.90 O ATOM 853 H ASP A 87 -1.742 7.624 14.994 1.00 10.00 H ATOM 854 N ILE A 88 -4.000 10.947 15.859 1.00 21.51 N ATOM 855 CA ILE A 88 -3.767 12.087 16.729 1.00 20.78 C ATOM 856 C ILE A 88 -4.512 12.065 18.068 1.00 20.21 C ATOM 857 O ILE A 88 -4.367 12.996 18.862 1.00 19.92 O ATOM 858 CB ILE A 88 -4.113 13.413 15.949 1.00 20.80 C ATOM 859 CG1 ILE A 88 -5.633 13.534 15.654 1.00 20.72 C ATOM 860 CG2 ILE A 88 -3.239 13.428 14.680 1.00 20.13 C ATOM 861 CD1 ILE A 88 -6.017 14.941 15.137 1.00 21.28 C ATOM 862 H ILE A 88 -4.575 11.007 15.067 1.00 10.00 H ATOM 863 N THR A 89 -5.301 11.051 18.411 1.00 19.33 N ATOM 864 CA THR A 89 -6.066 11.062 19.657 1.00 19.55 C ATOM 865 C THR A 89 -5.350 11.490 20.956 1.00 19.37 C ATOM 866 O THR A 89 -5.755 12.421 21.648 1.00 19.26 O ATOM 867 CB THR A 89 -6.696 9.656 19.846 1.00 19.59 C ATOM 868 OG1 THR A 89 -7.506 9.457 18.682 1.00 19.79 O ATOM 869 CG2 THR A 89 -7.542 9.519 21.113 1.00 19.98 C ATOM 870 H THR A 89 -5.360 10.279 17.816 1.00 10.00 H ATOM 871 HG1 THR A 89 -7.789 8.528 18.668 1.00 10.00 H ATOM 872 N ALA A 90 -4.231 10.868 21.287 1.00 19.01 N ATOM 873 CA ALA A 90 -3.452 11.230 22.453 1.00 18.59 C ATOM 874 C ALA A 90 -2.952 12.651 22.327 1.00 18.00 C ATOM 875 O ALA A 90 -2.927 13.380 23.322 1.00 18.63 O ATOM 876 CB ALA A 90 -2.209 10.298 22.603 1.00 18.71 C ATOM 877 H ALA A 90 -3.955 10.103 20.739 1.00 10.00 H ATOM 878 N SER A 91 -2.497 13.103 21.162 1.00 16.70 N ATOM 879 CA SER A 91 -2.045 14.472 21.071 1.00 16.48 C ATOM 880 C SER A 91 -3.181 15.428 21.312 1.00 17.02 C ATOM 881 O SER A 91 -2.989 16.388 22.063 1.00 16.94 O ATOM 882 CB SER A 91 -1.486 14.835 19.737 1.00 15.79 C ATOM 883 OG SER A 91 -0.126 14.449 19.671 1.00 15.25 O ATOM 884 H SER A 91 -2.423 12.480 20.406 1.00 10.00 H ATOM 885 HG SER A 91 0.003 13.983 18.829 1.00 10.00 H ATOM 886 N VAL A 92 -4.384 15.152 20.798 1.00 16.81 N ATOM 887 CA VAL A 92 -5.521 16.067 20.922 1.00 17.90 C ATOM 888 C VAL A 92 -6.020 16.091 22.389 1.00 18.45 C ATOM 889 O VAL A 92 -6.278 17.138 23.018 1.00 18.08 O ATOM 890 CB VAL A 92 -6.582 15.565 19.898 1.00 18.46 C ATOM 891 CG1 VAL A 92 -7.932 16.193 20.187 1.00 20.29 C ATOM 892 CG2 VAL A 92 -6.246 16.007 18.500 1.00 17.87 C ATOM 893 H VAL A 92 -4.495 14.295 20.333 1.00 10.00 H ATOM 894 N ASN A 93 -6.074 14.919 23.027 1.00 19.08 N ATOM 895 CA ASN A 93 -6.472 14.863 24.426 1.00 19.63 C ATOM 896 C ASN A 93 -5.479 15.535 25.368 1.00 19.11 C ATOM 897 O ASN A 93 -5.900 16.183 26.334 1.00 19.50 O ATOM 898 CB ASN A 93 -6.669 13.431 24.840 1.00 21.09 C ATOM 899 CG ASN A 93 -7.913 12.846 24.184 1.00 23.59 C ATOM 900 OD1 ASN A 93 -8.520 13.368 23.241 1.00 25.13 O ATOM 901 ND2 ASN A 93 -8.336 11.679 24.621 1.00 25.82 N ATOM 902 H ASN A 93 -5.972 14.097 22.504 1.00 10.00 H ATOM 903 HD21 ASN A 93 -9.153 11.350 24.194 1.00 10.00 H ATOM 904 HD22 ASN A 93 -7.828 11.196 25.295 1.00 10.00 H ATOM 905 N CYS A 94 -4.179 15.477 25.080 1.00 18.41 N ATOM 906 CA CYS A 94 -3.229 16.257 25.860 1.00 18.56 C ATOM 907 C CYS A 94 -3.325 17.773 25.630 1.00 18.36 C ATOM 908 O CYS A 94 -3.303 18.595 26.555 1.00 17.33 O ATOM 909 CB CYS A 94 -1.822 15.813 25.547 1.00 18.92 C ATOM 910 SG CYS A 94 -0.624 16.364 26.794 1.00 20.62 S ATOM 911 H CYS A 94 -3.886 14.837 24.394 1.00 10.00 H ATOM 912 N ALA A 95 -3.526 18.196 24.365 1.00 18.26 N ATOM 913 CA ALA A 95 -3.659 19.618 23.992 1.00 17.94 C ATOM 914 C ALA A 95 -4.851 20.291 24.673 1.00 18.69 C ATOM 915 O ALA A 95 -4.754 21.444 25.115 1.00 18.02 O ATOM 916 CB ALA A 95 -3.852 19.783 22.494 1.00 17.13 C ATOM 917 H ALA A 95 -3.534 17.519 23.653 1.00 10.00 H ATOM 918 N LYS A 96 -5.964 19.519 24.787 1.00 18.79 N ATOM 919 CA LYS A 96 -7.143 19.932 25.563 1.00 19.01 C ATOM 920 C LYS A 96 -6.821 20.250 27.006 1.00 19.12 C ATOM 921 O LYS A 96 -7.348 21.201 27.562 1.00 18.92 O ATOM 922 CB LYS A 96 -8.210 18.870 25.599 1.00 19.51 C ATOM 923 CG LYS A 96 -8.923 18.811 24.247 1.00 20.31 C ATOM 924 CD LYS A 96 -10.001 17.765 24.268 1.00 21.19 C ATOM 925 CE LYS A 96 -10.631 17.792 22.884 1.00 22.87 C ATOM 926 NZ LYS A 96 -11.415 16.578 22.694 1.00 24.51 N ATOM 927 H LYS A 96 -5.994 18.687 24.263 1.00 10.00 H ATOM 928 HZ1 LYS A 96 -12.095 16.483 23.475 1.00 10.00 H ATOM 929 HZ2 LYS A 96 -11.936 16.641 21.799 1.00 10.00 H ATOM 930 HZ3 LYS A 96 -10.785 15.751 22.680 1.00 10.00 H ATOM 931 N LYS A 97 -5.920 19.494 27.634 1.00 19.66 N ATOM 932 CA LYS A 97 -5.475 19.784 28.996 1.00 20.50 C ATOM 933 C LYS A 97 -4.562 21.014 29.066 1.00 19.60 C ATOM 934 O LYS A 97 -4.634 21.848 29.962 1.00 19.29 O ATOM 935 CB LYS A 97 -4.692 18.605 29.604 1.00 22.50 C ATOM 936 CG LYS A 97 -5.422 17.377 30.111 1.00 25.14 C ATOM 937 CD LYS A 97 -4.351 16.808 31.053 1.00 27.80 C ATOM 938 CE LYS A 97 -4.883 16.526 32.453 1.00 29.57 C ATOM 939 NZ LYS A 97 -5.167 15.105 32.662 1.00 31.00 N ATOM 940 H LYS A 97 -5.556 18.718 27.158 1.00 10.00 H ATOM 941 HZ1 LYS A 97 -4.294 14.555 32.529 1.00 10.00 H ATOM 942 HZ2 LYS A 97 -5.524 14.960 33.627 1.00 10.00 H ATOM 943 HZ3 LYS A 97 -5.882 14.790 31.976 1.00 10.00 H ATOM 944 N ILE A 98 -3.659 21.141 28.109 1.00 19.87 N ATOM 945 CA ILE A 98 -2.763 22.302 28.017 1.00 19.75 C ATOM 946 C ILE A 98 -3.571 23.576 27.749 1.00 20.45 C ATOM 947 O ILE A 98 -3.375 24.505 28.525 1.00 20.32 O ATOM 948 CB ILE A 98 -1.716 22.109 26.872 1.00 19.06 C ATOM 949 CG1 ILE A 98 -0.951 20.788 27.084 1.00 18.02 C ATOM 950 CG2 ILE A 98 -0.783 23.326 26.816 1.00 17.95 C ATOM 951 CD1 ILE A 98 0.058 20.345 26.003 1.00 16.32 C ATOM 952 H ILE A 98 -3.560 20.392 27.481 1.00 10.00 H ATOM 953 N VAL A 99 -4.484 23.696 26.753 1.00 21.24 N ATOM 954 CA VAL A 99 -5.262 24.944 26.562 1.00 22.66 C ATOM 955 C VAL A 99 -6.078 25.356 27.772 1.00 23.98 C ATOM 956 O VAL A 99 -6.380 26.543 27.889 1.00 24.18 O ATOM 957 CB VAL A 99 -6.425 25.046 25.498 1.00 22.62 C ATOM 958 CG1 VAL A 99 -5.975 25.812 24.305 1.00 21.94 C ATOM 959 CG2 VAL A 99 -6.999 23.687 25.258 1.00 22.58 C ATOM 960 H VAL A 99 -4.548 22.974 26.103 1.00 10.00 H ATOM 961 N SER A 100 -6.501 24.386 28.607 1.00 24.84 N ATOM 962 CA SER A 100 -7.249 24.667 29.838 1.00 26.79 C ATOM 963 C SER A 100 -6.424 25.191 31.023 1.00 27.88 C ATOM 964 O SER A 100 -6.947 25.696 32.003 1.00 28.34 O ATOM 965 CB SER A 100 -7.999 23.398 30.294 1.00 25.70 C ATOM 966 OG SER A 100 -8.830 22.956 29.218 1.00 25.71 O ATOM 967 H SER A 100 -6.330 23.461 28.340 1.00 10.00 H ATOM 968 HG SER A 100 -8.317 22.337 28.683 1.00 10.00 H ATOM 969 N ASP A 101 -5.102 25.185 30.911 1.00 30.07 N ATOM 970 CA ASP A 101 -4.160 25.481 31.987 1.00 31.90 C ATOM 971 C ASP A 101 -4.083 26.939 32.480 1.00 32.17 C ATOM 972 O ASP A 101 -3.224 27.283 33.308 1.00 32.90 O ATOM 973 CB ASP A 101 -2.784 24.989 31.494 1.00 34.28 C ATOM 974 CG ASP A 101 -1.719 24.738 32.553 1.00 37.07 C ATOM 975 OD1 ASP A 101 -2.024 24.087 33.557 1.00 38.51 O ATOM 976 OD2 ASP A 101 -0.578 25.191 32.377 1.00 38.73 O ATOM 977 H ASP A 101 -4.731 24.954 30.035 1.00 10.00 H ATOM 978 N GLY A 102 -4.949 27.864 32.031 1.00 31.38 N ATOM 979 CA GLY A 102 -4.871 29.256 32.482 1.00 30.00 C ATOM 980 C GLY A 102 -4.362 30.173 31.376 1.00 29.34 C ATOM 981 O GLY A 102 -4.898 31.267 31.192 1.00 29.32 O ATOM 982 H GLY A 102 -5.646 27.591 31.398 1.00 10.00 H ATOM 983 N ASN A 103 -3.351 29.769 30.592 1.00 27.98 N ATOM 984 CA ASN A 103 -2.963 30.602 29.466 1.00 26.76 C ATOM 985 C ASN A 103 -3.417 30.320 28.033 1.00 23.80 C ATOM 986 O ASN A 103 -2.928 30.927 27.089 1.00 22.35 O ATOM 987 CB ASN A 103 -1.466 30.721 29.491 1.00 29.73 C ATOM 988 CG ASN A 103 -1.235 32.011 30.268 1.00 32.94 C ATOM 989 OD1 ASN A 103 -1.042 32.053 31.492 1.00 33.63 O ATOM 990 ND2 ASN A 103 -1.260 33.143 29.560 1.00 34.78 N ATOM 991 H ASN A 103 -2.884 28.934 30.792 1.00 10.00 H ATOM 992 HD21 ASN A 103 -1.179 33.950 30.097 1.00 10.00 H ATOM 993 HD22 ASN A 103 -1.305 33.087 28.584 1.00 10.00 H ATOM 994 N GLY A 104 -4.378 29.446 27.822 1.00 21.34 N ATOM 995 CA GLY A 104 -4.900 29.136 26.491 1.00 20.09 C ATOM 996 C GLY A 104 -3.844 28.664 25.475 1.00 18.68 C ATOM 997 O GLY A 104 -2.885 27.955 25.791 1.00 18.30 O ATOM 998 H GLY A 104 -4.711 28.969 28.610 1.00 10.00 H ATOM 999 N MET A 105 -3.950 29.137 24.247 1.00 17.40 N ATOM 1000 CA MET A 105 -3.027 28.733 23.196 1.00 16.90 C ATOM 1001 C MET A 105 -1.679 29.469 23.172 1.00 16.46 C ATOM 1002 O MET A 105 -0.784 29.176 22.366 1.00 15.57 O ATOM 1003 CB MET A 105 -3.766 28.878 21.885 1.00 16.55 C ATOM 1004 CG MET A 105 -4.637 27.633 21.638 1.00 17.00 C ATOM 1005 SD MET A 105 -5.172 27.478 19.923 1.00 18.72 S ATOM 1006 CE MET A 105 -3.675 26.767 19.260 1.00 16.12 C ATOM 1007 H MET A 105 -4.658 29.798 24.075 1.00 10.00 H ATOM 1008 N ASN A 106 -1.517 30.408 24.126 1.00 15.80 N ATOM 1009 CA ASN A 106 -0.253 31.083 24.369 1.00 16.31 C ATOM 1010 C ASN A 106 0.841 30.115 24.862 1.00 16.46 C ATOM 1011 O ASN A 106 2.036 30.363 24.734 1.00 16.62 O ATOM 1012 CB ASN A 106 -0.477 32.205 25.370 1.00 16.35 C ATOM 1013 CG ASN A 106 -1.289 33.301 24.703 1.00 17.05 C ATOM 1014 OD1 ASN A 106 -2.397 33.576 25.136 1.00 19.28 O ATOM 1015 ND2 ASN A 106 -0.919 33.971 23.627 1.00 15.68 N ATOM 1016 H ASN A 106 -2.299 30.664 24.661 1.00 10.00 H ATOM 1017 HD21 ASN A 106 -1.609 34.619 23.380 1.00 10.00 H ATOM 1018 HD22 ASN A 106 -0.071 33.808 23.184 1.00 10.00 H ATOM 1019 N ALA A 107 0.438 28.944 25.336 1.00 16.01 N ATOM 1020 CA ALA A 107 1.358 27.859 25.631 1.00 17.04 C ATOM 1021 C ALA A 107 2.151 27.380 24.393 1.00 17.45 C ATOM 1022 O ALA A 107 3.244 26.812 24.481 1.00 18.06 O ATOM 1023 CB ALA A 107 0.558 26.705 26.188 1.00 17.08 C ATOM 1024 H ALA A 107 -0.515 28.846 25.542 1.00 10.00 H ATOM 1025 N TRP A 108 1.645 27.602 23.174 1.00 16.97 N ATOM 1026 CA TRP A 108 2.363 27.239 21.968 1.00 16.91 C ATOM 1027 C TRP A 108 2.967 28.508 21.392 1.00 16.77 C ATOM 1028 O TRP A 108 2.285 29.398 20.882 1.00 15.79 O ATOM 1029 CB TRP A 108 1.420 26.596 20.948 1.00 16.72 C ATOM 1030 CG TRP A 108 0.927 25.204 21.338 1.00 16.63 C ATOM 1031 CD1 TRP A 108 1.643 24.103 20.966 1.00 17.70 C ATOM 1032 CD2 TRP A 108 -0.237 24.873 21.990 1.00 17.42 C ATOM 1033 NE1 TRP A 108 0.941 23.065 21.348 1.00 18.23 N ATOM 1034 CE2 TRP A 108 -0.187 23.479 21.964 1.00 18.10 C ATOM 1035 CE3 TRP A 108 -1.299 25.518 22.592 1.00 17.29 C ATOM 1036 CZ2 TRP A 108 -1.195 22.704 22.527 1.00 18.11 C ATOM 1037 CZ3 TRP A 108 -2.294 24.742 23.155 1.00 17.74 C ATOM 1038 CH2 TRP A 108 -2.258 23.357 23.127 1.00 17.23 C ATOM 1039 H TRP A 108 0.786 28.067 23.094 1.00 10.00 H ATOM 1040 HE1 TRP A 108 1.221 22.138 21.158 1.00 10.00 H ATOM 1041 N VAL A 109 4.289 28.580 21.449 1.00 17.01 N ATOM 1042 CA VAL A 109 4.996 29.790 21.044 1.00 17.55 C ATOM 1043 C VAL A 109 4.820 30.124 19.562 1.00 16.68 C ATOM 1044 O VAL A 109 4.589 31.275 19.200 1.00 16.59 O ATOM 1045 CB VAL A 109 6.488 29.618 21.432 1.00 18.65 C ATOM 1046 CG1 VAL A 109 7.271 30.922 21.144 1.00 20.56 C ATOM 1047 CG2 VAL A 109 6.611 29.390 22.931 1.00 19.64 C ATOM 1048 H VAL A 109 4.775 27.818 21.832 1.00 10.00 H ATOM 1049 N ALA A 110 4.850 29.141 18.660 1.00 16.95 N ATOM 1050 CA ALA A 110 4.575 29.427 17.247 1.00 16.90 C ATOM 1051 C ALA A 110 3.113 29.862 16.996 1.00 16.34 C ATOM 1052 O ALA A 110 2.891 30.725 16.154 1.00 15.92 O ATOM 1053 CB ALA A 110 4.926 28.199 16.403 1.00 16.14 C ATOM 1054 H ALA A 110 5.083 28.241 18.954 1.00 10.00 H ATOM 1055 N TRP A 111 2.086 29.364 17.724 1.00 16.11 N ATOM 1056 CA TRP A 111 0.755 29.955 17.678 1.00 15.81 C ATOM 1057 C TRP A 111 0.773 31.438 18.061 1.00 16.08 C ATOM 1058 O TRP A 111 0.221 32.273 17.336 1.00 15.39 O ATOM 1059 CB TRP A 111 -0.282 29.263 18.629 1.00 14.62 C ATOM 1060 CG TRP A 111 -1.677 29.939 18.526 1.00 14.58 C ATOM 1061 CD1 TRP A 111 -2.552 29.651 17.494 1.00 13.96 C ATOM 1062 CD2 TRP A 111 -2.191 30.902 19.381 1.00 14.22 C ATOM 1063 NE1 TRP A 111 -3.584 30.430 17.704 1.00 13.64 N ATOM 1064 CE2 TRP A 111 -3.416 31.178 18.805 1.00 13.52 C ATOM 1065 CE3 TRP A 111 -1.779 31.564 20.532 1.00 14.03 C ATOM 1066 CZ2 TRP A 111 -4.247 32.115 19.372 1.00 13.93 C ATOM 1067 CZ3 TRP A 111 -2.605 32.507 21.104 1.00 14.44 C ATOM 1068 CH2 TRP A 111 -3.834 32.775 20.519 1.00 14.63 C ATOM 1069 H TRP A 111 2.229 28.511 18.181 1.00 10.00 H ATOM 1070 HE1 TRP A 111 -4.391 30.472 17.139 1.00 10.00 H ATOM 1071 N ARG A 112 1.366 31.839 19.181 1.00 16.61 N ATOM 1072 CA ARG A 112 1.320 33.260 19.447 1.00 19.18 C ATOM 1073 C ARG A 112 2.228 34.115 18.565 1.00 19.25 C ATOM 1074 O ARG A 112 1.843 35.239 18.241 1.00 19.39 O ATOM 1075 CB ARG A 112 1.602 33.576 20.917 1.00 21.08 C ATOM 1076 CG ARG A 112 2.842 33.106 21.529 1.00 23.54 C ATOM 1077 CD ARG A 112 2.905 33.953 22.782 1.00 26.05 C ATOM 1078 NE ARG A 112 4.313 34.195 22.983 1.00 28.69 N ATOM 1079 CZ ARG A 112 5.117 33.291 23.542 1.00 29.88 C ATOM 1080 NH1 ARG A 112 4.659 32.140 24.087 1.00 31.23 N ATOM 1081 NH2 ARG A 112 6.415 33.588 23.579 1.00 30.53 N ATOM 1082 H ARG A 112 1.762 31.181 19.798 1.00 10.00 H ATOM 1083 HE ARG A 112 4.694 35.050 22.693 1.00 10.00 H ATOM 1084 HH11 ARG A 112 3.681 31.931 24.083 1.00 10.00 H ATOM 1085 HH12 ARG A 112 5.305 31.493 24.492 1.00 10.00 H ATOM 1086 HH21 ARG A 112 6.742 34.453 23.199 1.00 10.00 H ATOM 1087 HH22 ARG A 112 7.062 32.944 23.988 1.00 10.00 H ATOM 1088 N ASN A 113 3.354 33.629 18.058 1.00 19.43 N ATOM 1089 CA ASN A 113 4.122 34.448 17.120 1.00 19.94 C ATOM 1090 C ASN A 113 3.681 34.468 15.679 1.00 20.24 C ATOM 1091 O ASN A 113 4.013 35.353 14.911 1.00 20.67 O ATOM 1092 CB ASN A 113 5.568 34.029 17.139 1.00 19.64 C ATOM 1093 CG ASN A 113 6.170 34.450 18.459 1.00 19.26 C ATOM 1094 OD1 ASN A 113 7.013 33.776 19.005 1.00 19.87 O ATOM 1095 ND2 ASN A 113 5.825 35.523 19.102 1.00 18.52 N ATOM 1096 H ASN A 113 3.695 32.766 18.375 1.00 10.00 H ATOM 1097 HD21 ASN A 113 6.288 35.599 19.960 1.00 10.00 H ATOM 1098 HD22 ASN A 113 5.207 36.161 18.705 1.00 10.00 H ATOM 1099 N ARG A 114 2.957 33.451 15.253 1.00 20.26 N ATOM 1100 CA ARG A 114 2.648 33.352 13.846 1.00 20.31 C ATOM 1101 C ARG A 114 1.198 33.227 13.500 1.00 19.95 C ATOM 1102 O ARG A 114 0.842 33.405 12.331 1.00 20.08 O ATOM 1103 CB ARG A 114 3.370 32.148 13.239 1.00 20.84 C ATOM 1104 CG ARG A 114 4.846 32.160 13.587 1.00 21.93 C ATOM 1105 CD ARG A 114 5.555 31.034 12.944 1.00 21.81 C ATOM 1106 NE ARG A 114 5.794 31.270 11.541 1.00 21.67 N ATOM 1107 CZ ARG A 114 6.677 30.506 10.882 1.00 22.46 C ATOM 1108 NH1 ARG A 114 7.451 29.596 11.527 1.00 21.42 N ATOM 1109 NH2 ARG A 114 6.827 30.717 9.574 1.00 21.23 N ATOM 1110 H ARG A 114 2.766 32.718 15.870 1.00 10.00 H ATOM 1111 HE ARG A 114 5.301 31.970 11.079 1.00 10.00 H ATOM 1112 HH11 ARG A 114 7.383 29.475 12.516 1.00 10.00 H ATOM 1113 HH12 ARG A 114 8.104 29.052 11.002 1.00 10.00 H ATOM 1114 HH21 ARG A 114 6.290 31.426 9.117 1.00 10.00 H ATOM 1115 HH22 ARG A 114 7.478 30.166 9.050 1.00 10.00 H ATOM 1116 N CYS A 115 0.403 32.825 14.498 1.00 19.12 N ATOM 1117 CA CYS A 115 -1.034 32.573 14.305 1.00 18.91 C ATOM 1118 C CYS A 115 -1.965 33.547 14.979 1.00 19.41 C ATOM 1119 O CYS A 115 -2.967 33.952 14.365 1.00 19.94 O ATOM 1120 CB CYS A 115 -1.507 31.191 14.809 1.00 17.47 C ATOM 1121 SG CYS A 115 -0.589 29.876 13.964 1.00 16.53 S ATOM 1122 H CYS A 115 0.815 32.709 15.378 1.00 10.00 H ATOM 1123 N LYS A 116 -1.622 33.887 16.214 1.00 19.26 N ATOM 1124 CA LYS A 116 -2.387 34.809 17.034 1.00 20.78 C ATOM 1125 C LYS A 116 -2.658 36.123 16.298 1.00 22.06 C ATOM 1126 O LYS A 116 -1.754 36.717 15.687 1.00 22.34 O ATOM 1127 CB LYS A 116 -1.637 35.128 18.324 1.00 19.54 C ATOM 1128 CG LYS A 116 -2.545 35.820 19.326 1.00 18.06 C ATOM 1129 CD LYS A 116 -1.714 36.049 20.565 1.00 17.46 C ATOM 1130 CE LYS A 116 -2.620 36.369 21.698 1.00 18.36 C ATOM 1131 NZ LYS A 116 -1.874 36.707 22.895 1.00 18.06 N ATOM 1132 H LYS A 116 -0.750 33.599 16.532 1.00 10.00 H ATOM 1133 HZ1 LYS A 116 -1.255 35.913 23.155 1.00 10.00 H ATOM 1134 HZ2 LYS A 116 -1.296 37.553 22.715 1.00 10.00 H ATOM 1135 HZ3 LYS A 116 -2.538 36.899 23.673 1.00 10.00 H ATOM 1136 N GLY A 117 -3.953 36.482 16.228 1.00 23.20 N ATOM 1137 CA GLY A 117 -4.367 37.731 15.586 1.00 24.25 C ATOM 1138 C GLY A 117 -4.139 37.816 14.084 1.00 24.94 C ATOM 1139 O GLY A 117 -4.064 38.912 13.527 1.00 26.42 O ATOM 1140 H GLY A 117 -4.629 35.869 16.590 1.00 10.00 H ATOM 1141 N THR A 118 -4.028 36.688 13.388 1.00 24.97 N ATOM 1142 CA THR A 118 -3.907 36.638 11.929 1.00 24.50 C ATOM 1143 C THR A 118 -5.200 36.095 11.323 1.00 24.87 C ATOM 1144 O THR A 118 -6.055 35.661 12.101 1.00 24.21 O ATOM 1145 CB THR A 118 -2.711 35.712 11.465 1.00 24.46 C ATOM 1146 OG1 THR A 118 -3.101 34.349 11.621 1.00 23.74 O ATOM 1147 CG2 THR A 118 -1.416 35.966 12.261 1.00 24.22 C ATOM 1148 H THR A 118 -4.034 35.858 13.910 1.00 10.00 H ATOM 1149 HG1 THR A 118 -3.155 34.167 12.570 1.00 10.00 H ATOM 1150 N ASP A 119 -5.480 36.038 10.005 1.00 25.76 N ATOM 1151 CA ASP A 119 -6.724 35.389 9.554 1.00 27.06 C ATOM 1152 C ASP A 119 -6.623 33.848 9.548 1.00 26.80 C ATOM 1153 O ASP A 119 -6.459 33.143 8.545 1.00 26.96 O ATOM 1154 CB ASP A 119 -7.134 35.858 8.142 1.00 28.37 C ATOM 1155 CG ASP A 119 -8.473 35.248 7.649 1.00 30.73 C ATOM 1156 OD1 ASP A 119 -9.358 34.978 8.467 1.00 31.59 O ATOM 1157 OD2 ASP A 119 -8.625 35.013 6.438 1.00 32.62 O ATOM 1158 H ASP A 119 -4.856 36.436 9.366 1.00 10.00 H ATOM 1159 N VAL A 120 -6.804 33.256 10.719 1.00 27.04 N ATOM 1160 CA VAL A 120 -6.657 31.804 10.875 1.00 26.83 C ATOM 1161 C VAL A 120 -7.735 30.994 10.158 1.00 26.91 C ATOM 1162 O VAL A 120 -7.580 29.811 9.867 1.00 26.52 O ATOM 1163 CB VAL A 120 -6.606 31.460 12.400 1.00 26.25 C ATOM 1164 CG1 VAL A 120 -5.409 32.162 13.055 1.00 25.38 C ATOM 1165 CG2 VAL A 120 -7.906 31.847 13.066 1.00 26.11 C ATOM 1166 H VAL A 120 -6.920 33.841 11.503 1.00 10.00 H ATOM 1167 N GLN A 121 -8.811 31.681 9.748 1.00 27.13 N ATOM 1168 CA GLN A 121 -9.897 31.101 8.933 1.00 27.15 C ATOM 1169 C GLN A 121 -9.377 30.584 7.557 1.00 25.69 C ATOM 1170 O GLN A 121 -9.792 29.574 6.973 1.00 24.83 O ATOM 1171 CB GLN A 121 -10.987 32.221 8.818 1.00 28.79 C ATOM 1172 CG GLN A 121 -12.372 31.910 8.178 1.00 32.97 C ATOM 1173 CD GLN A 121 -13.062 33.077 7.405 1.00 34.94 C ATOM 1174 OE1 GLN A 121 -12.501 34.136 7.088 1.00 35.69 O ATOM 1175 NE2 GLN A 121 -14.321 32.984 6.988 1.00 35.50 N ATOM 1176 H GLN A 121 -8.890 32.600 10.068 1.00 10.00 H ATOM 1177 HE21 GLN A 121 -14.637 33.806 6.564 1.00 10.00 H ATOM 1178 HE22 GLN A 121 -14.805 32.153 7.129 1.00 10.00 H ATOM 1179 N ALA A 122 -8.327 31.215 7.049 1.00 24.61 N ATOM 1180 CA ALA A 122 -7.700 30.782 5.812 1.00 23.83 C ATOM 1181 C ALA A 122 -7.168 29.335 5.844 1.00 23.36 C ATOM 1182 O ALA A 122 -7.223 28.624 4.855 1.00 22.69 O ATOM 1183 CB ALA A 122 -6.593 31.796 5.539 1.00 23.51 C ATOM 1184 H ALA A 122 -7.976 32.000 7.520 1.00 10.00 H ATOM 1185 N TRP A 123 -6.711 28.815 6.995 1.00 23.54 N ATOM 1186 CA TRP A 123 -6.232 27.436 7.170 1.00 23.56 C ATOM 1187 C TRP A 123 -7.279 26.302 6.969 1.00 23.68 C ATOM 1188 O TRP A 123 -6.986 25.133 6.696 1.00 23.33 O ATOM 1189 CB TRP A 123 -5.615 27.378 8.563 1.00 23.37 C ATOM 1190 CG TRP A 123 -4.324 28.203 8.627 1.00 24.78 C ATOM 1191 CD1 TRP A 123 -4.268 29.418 9.280 1.00 24.84 C ATOM 1192 CD2 TRP A 123 -3.104 27.863 8.056 1.00 24.51 C ATOM 1193 NE1 TRP A 123 -3.038 29.840 9.123 1.00 23.76 N ATOM 1194 CE2 TRP A 123 -2.321 28.956 8.411 1.00 24.28 C ATOM 1195 CE3 TRP A 123 -2.576 26.821 7.316 1.00 24.94 C ATOM 1196 CZ2 TRP A 123 -1.001 29.033 8.033 1.00 24.34 C ATOM 1197 CZ3 TRP A 123 -1.255 26.896 6.931 1.00 24.91 C ATOM 1198 CH2 TRP A 123 -0.482 27.993 7.289 1.00 25.43 C ATOM 1199 H TRP A 123 -6.701 29.411 7.773 1.00 10.00 H ATOM 1200 HE1 TRP A 123 -2.680 30.676 9.487 1.00 10.00 H ATOM 1201 N ILE A 124 -8.568 26.624 7.144 1.00 24.18 N ATOM 1202 CA ILE A 124 -9.626 25.658 6.835 1.00 24.69 C ATOM 1203 C ILE A 124 -10.379 26.031 5.566 1.00 25.37 C ATOM 1204 O ILE A 124 -11.240 25.288 5.134 1.00 25.09 O ATOM 1205 CB ILE A 124 -10.655 25.495 8.009 1.00 24.68 C ATOM 1206 CG1 ILE A 124 -11.326 26.785 8.411 1.00 24.18 C ATOM 1207 CG2 ILE A 124 -9.901 24.913 9.210 1.00 24.28 C ATOM 1208 CD1 ILE A 124 -12.438 26.496 9.433 1.00 25.02 C ATOM 1209 H ILE A 124 -8.786 27.515 7.487 1.00 10.00 H ATOM 1210 N ARG A 125 -9.967 27.076 4.843 1.00 26.81 N ATOM 1211 CA ARG A 125 -10.640 27.585 3.645 1.00 29.72 C ATOM 1212 C ARG A 125 -11.179 26.681 2.533 1.00 30.26 C ATOM 1213 O ARG A 125 -12.344 26.869 2.128 1.00 31.68 O ATOM 1214 CB ARG A 125 -9.736 28.640 2.963 1.00 31.55 C ATOM 1215 CG ARG A 125 -10.352 29.635 1.947 1.00 33.74 C ATOM 1216 CD ARG A 125 -9.965 31.106 2.259 1.00 35.36 C ATOM 1217 NE ARG A 125 -10.462 31.567 3.567 1.00 37.08 N ATOM 1218 CZ ARG A 125 -10.137 32.752 4.127 1.00 37.77 C ATOM 1219 NH1 ARG A 125 -9.396 33.675 3.519 1.00 39.27 N ATOM 1220 NH2 ARG A 125 -10.567 33.050 5.344 1.00 38.41 N ATOM 1221 H ARG A 125 -9.150 27.521 5.148 1.00 10.00 H ATOM 1222 HE ARG A 125 -11.068 30.980 4.066 1.00 10.00 H ATOM 1223 HH11 ARG A 125 -9.045 33.511 2.597 1.00 10.00 H ATOM 1224 HH12 ARG A 125 -9.186 34.532 3.989 1.00 10.00 H ATOM 1225 HH21 ARG A 125 -11.131 32.395 5.845 1.00 10.00 H ATOM 1226 HH22 ARG A 125 -10.329 33.927 5.761 1.00 10.00 H ATOM 1227 N GLY A 126 -10.514 25.702 1.962 1.00 30.29 N ATOM 1228 CA GLY A 126 -11.249 24.966 0.907 1.00 30.65 C ATOM 1229 C GLY A 126 -11.822 23.595 1.301 1.00 31.00 C ATOM 1230 O GLY A 126 -12.327 22.812 0.485 1.00 31.48 O ATOM 1231 H GLY A 126 -9.597 25.489 2.230 1.00 10.00 H ATOM 1232 N CYS A 127 -11.735 23.302 2.587 1.00 30.20 N ATOM 1233 CA CYS A 127 -12.035 21.971 3.116 1.00 29.59 C ATOM 1234 C CYS A 127 -13.485 21.535 3.313 1.00 30.07 C ATOM 1235 O CYS A 127 -14.311 22.329 3.781 1.00 29.70 O ATOM 1236 CB CYS A 127 -11.324 21.793 4.484 1.00 27.92 C ATOM 1237 SG CYS A 127 -9.614 22.404 4.545 1.00 26.15 S ATOM 1238 H CYS A 127 -11.473 24.015 3.205 1.00 10.00 H ATOM 1239 N ARG A 128 -13.789 20.267 3.011 1.00 30.46 N ATOM 1240 CA ARG A 128 -15.090 19.693 3.342 1.00 31.89 C ATOM 1241 C ARG A 128 -15.036 19.289 4.782 1.00 32.17 C ATOM 1242 O ARG A 128 -14.319 18.360 5.142 1.00 32.82 O ATOM 1243 CB ARG A 128 -15.462 18.397 2.667 1.00 32.75 C ATOM 1244 CG ARG A 128 -15.748 18.316 1.200 1.00 34.88 C ATOM 1245 CD ARG A 128 -16.693 17.146 0.942 1.00 36.21 C ATOM 1246 NE ARG A 128 -17.861 17.347 1.792 1.00 38.74 N ATOM 1247 CZ ARG A 128 -18.983 18.005 1.432 1.00 39.69 C ATOM 1248 NH1 ARG A 128 -19.221 18.429 0.172 1.00 40.03 N ATOM 1249 NH2 ARG A 128 -19.913 18.159 2.386 1.00 40.04 N ATOM 1250 H ARG A 128 -13.125 19.757 2.500 1.00 10.00 H ATOM 1251 HE ARG A 128 -17.839 16.963 2.694 1.00 10.00 H ATOM 1252 HH11 ARG A 128 -18.550 18.263 -0.549 1.00 10.00 H ATOM 1253 HH12 ARG A 128 -20.069 18.915 -0.036 1.00 10.00 H ATOM 1254 HH21 ARG A 128 -19.752 17.794 3.303 1.00 10.00 H ATOM 1255 HH22 ARG A 128 -20.765 18.640 2.181 1.00 10.00 H ATOM 1256 N LEU A 129 -15.732 20.009 5.606 1.00 33.44 N ATOM 1257 CA LEU A 129 -15.795 19.749 7.040 1.00 35.33 C ATOM 1258 C LEU A 129 -17.293 19.564 7.417 1.00 36.40 C ATOM 1259 O LEU A 129 -18.142 19.848 6.544 1.00 37.51 O ATOM 1260 CB LEU A 129 -15.148 20.971 7.768 1.00 35.50 C ATOM 1261 CG LEU A 129 -13.674 21.107 8.261 1.00 35.81 C ATOM 1262 CD1 LEU A 129 -12.743 20.235 7.454 1.00 35.63 C ATOM 1263 CD2 LEU A 129 -13.249 22.569 8.172 1.00 35.21 C ATOM 1264 OXT LEU A 129 -17.619 19.179 8.553 1.00 36.05 O ATOM 1265 H LEU A 129 -16.361 20.672 5.263 1.00 10.00 H TER 1266 LEU A 129 HETATM 1267 O HOH A 131 7.737 25.077 19.793 1.00 31.15 O HETATM 1268 H1 HOH A 131 7.807 25.498 18.926 1.00 10.00 H HETATM 1269 H2 HOH A 131 6.977 25.506 20.196 1.00 10.00 H HETATM 1270 O HOH A 132 8.036 28.106 8.380 1.00 26.07 O HETATM 1271 H1 HOH A 132 7.705 27.762 9.222 1.00 10.00 H HETATM 1272 H2 HOH A 132 7.274 28.553 7.979 1.00 10.00 H HETATM 1273 O HOH A 133 19.755 34.017 30.647 1.00 26.65 O HETATM 1274 H1 HOH A 133 19.523 34.821 30.165 1.00 10.00 H HETATM 1275 H2 HOH A 133 19.644 33.341 29.934 1.00 10.00 H HETATM 1276 O HOH A 134 0.773 35.997 15.229 1.00 33.79 O HETATM 1277 H1 HOH A 134 0.055 36.638 15.230 1.00 10.00 H HETATM 1278 H2 HOH A 134 1.294 36.261 15.992 1.00 10.00 H HETATM 1279 O HOH A 135 1.953 33.805 9.798 1.00 32.22 O HETATM 1280 H1 HOH A 135 1.393 33.287 9.212 1.00 10.00 H HETATM 1281 H2 HOH A 135 1.451 33.803 10.628 1.00 10.00 H HETATM 1282 O HOH A 137 15.708 43.312 19.671 1.00 54.42 O HETATM 1283 H1 HOH A 137 15.254 43.746 18.943 1.00 10.00 H HETATM 1284 H2 HOH A 137 15.303 43.699 20.453 1.00 10.00 H HETATM 1285 O HOH A 138 -2.156 27.425 28.482 1.00 26.19 O HETATM 1286 H1 HOH A 138 -2.271 27.462 27.527 1.00 10.00 H HETATM 1287 H2 HOH A 138 -2.337 26.494 28.673 1.00 10.00 H HETATM 1288 O HOH A 140 -10.099 10.398 -4.493 1.00 49.20 O HETATM 1289 H1 HOH A 140 -10.521 10.588 -3.642 1.00 10.00 H HETATM 1290 H2 HOH A 140 -9.175 10.599 -4.333 1.00 10.00 H HETATM 1291 O HOH A 141 18.030 8.558 27.202 1.00 29.18 O HETATM 1292 H1 HOH A 141 18.487 9.207 26.632 1.00 10.00 H HETATM 1293 H2 HOH A 141 18.563 7.760 27.091 1.00 10.00 H HETATM 1294 O HOH A 142 4.699 33.307 9.832 1.00 18.55 O HETATM 1295 H1 HOH A 142 4.909 33.462 10.759 1.00 10.00 H HETATM 1296 H2 HOH A 142 3.738 33.504 9.814 1.00 10.00 H HETATM 1297 O HOH A 143 -13.506 30.128 5.162 1.00 55.91 O HETATM 1298 H1 HOH A 143 -13.867 29.263 4.947 1.00 10.00 H HETATM 1299 H2 HOH A 143 -12.638 30.115 4.757 1.00 10.00 H HETATM 1300 O HOH A 144 -2.532 31.756 5.400 1.00 38.39 O HETATM 1301 H1 HOH A 144 -3.007 32.192 6.135 1.00 10.00 H HETATM 1302 H2 HOH A 144 -2.743 32.338 4.671 1.00 10.00 H HETATM 1303 O HOH A 145 3.661 21.990 25.107 1.00 25.84 O HETATM 1304 H1 HOH A 145 3.819 22.149 24.169 1.00 10.00 H HETATM 1305 H2 HOH A 145 2.814 22.413 25.265 1.00 10.00 H HETATM 1306 O HOH A 146 -11.804 17.263 4.471 1.00 41.61 O HETATM 1307 H1 HOH A 146 -12.745 17.498 4.521 1.00 10.00 H HETATM 1308 H2 HOH A 146 -11.690 16.802 5.306 1.00 10.00 H HETATM 1309 O HOH A 147 11.872 -0.867 33.236 1.00 40.56 O HETATM 1310 H1 HOH A 147 11.699 0.077 33.202 1.00 10.00 H HETATM 1311 H2 HOH A 147 12.776 -0.881 32.912 1.00 10.00 H HETATM 1312 O HOH A 148 11.047 26.829 19.862 1.00 44.28 O HETATM 1313 H1 HOH A 148 10.514 27.605 19.686 1.00 10.00 H HETATM 1314 H2 HOH A 148 11.941 27.175 19.896 1.00 10.00 H HETATM 1315 O HOH A 150 0.320 26.616 37.628 1.00 45.39 O HETATM 1316 H1 HOH A 150 -0.363 27.065 37.125 1.00 10.00 H HETATM 1317 H2 HOH A 150 1.087 26.653 37.048 1.00 10.00 H HETATM 1318 O HOH A 151 0.969 32.623 27.910 1.00 45.24 O HETATM 1319 H1 HOH A 151 1.256 32.734 28.820 1.00 10.00 H HETATM 1320 H2 HOH A 151 1.720 32.194 27.488 1.00 10.00 H HETATM 1321 O HOH A 152 17.941 16.203 30.187 1.00 42.30 O HETATM 1322 H1 HOH A 152 18.337 16.110 29.320 1.00 10.00 H HETATM 1323 H2 HOH A 152 17.303 15.476 30.204 1.00 10.00 H HETATM 1324 O HOH A 154 16.305 18.731 18.230 1.00 36.01 O HETATM 1325 H1 HOH A 154 16.929 18.334 17.616 1.00 10.00 H HETATM 1326 H2 HOH A 154 16.078 19.571 17.801 1.00 10.00 H HETATM 1327 O HOH A 155 2.314 22.921 35.661 1.00 54.82 O HETATM 1328 H1 HOH A 155 1.802 22.467 34.989 1.00 10.00 H HETATM 1329 H2 HOH A 155 1.823 22.776 36.471 1.00 10.00 H HETATM 1330 O HOH A 156 8.063 31.537 25.761 1.00 48.14 O HETATM 1331 H1 HOH A 156 7.799 31.926 24.923 1.00 10.00 H HETATM 1332 H2 HOH A 156 8.832 32.048 26.023 1.00 10.00 H HETATM 1333 O HOH A 157 -9.796 18.012 29.433 1.00 42.30 O HETATM 1334 H1 HOH A 157 -10.344 17.418 29.953 1.00 10.00 H HETATM 1335 H2 HOH A 157 -9.355 17.391 28.818 1.00 10.00 H HETATM 1336 O HOH A 158 12.101 25.516 28.370 1.00 56.48 O HETATM 1337 H1 HOH A 158 12.148 26.048 29.178 1.00 10.00 H HETATM 1338 H2 HOH A 158 11.520 24.798 28.643 1.00 10.00 H HETATM 1339 O HOH A 159 7.932 12.475 33.705 1.00 29.51 O HETATM 1340 H1 HOH A 159 7.184 12.298 34.284 1.00 10.00 H HETATM 1341 H2 HOH A 159 7.953 13.440 33.704 1.00 10.00 H HETATM 1342 O HOH A 160 -15.454 22.116 20.954 1.00 38.21 O HETATM 1343 H1 HOH A 160 -14.762 21.462 20.782 1.00 10.00 H HETATM 1344 H2 HOH A 160 -15.455 22.637 20.145 1.00 10.00 H HETATM 1345 O HOH A 162 15.454 21.908 18.612 1.00 48.99 O HETATM 1346 H1 HOH A 162 15.677 21.819 19.549 1.00 10.00 H HETATM 1347 H2 HOH A 162 15.735 22.801 18.409 1.00 10.00 H HETATM 1348 O HOH A 164 9.367 22.877 18.845 1.00 23.49 O HETATM 1349 H1 HOH A 164 8.655 23.456 19.182 1.00 10.00 H HETATM 1350 H2 HOH A 164 10.120 23.466 18.952 1.00 10.00 H HETATM 1351 O HOH A 165 -1.742 -6.851 13.506 1.00 54.68 O HETATM 1352 H1 HOH A 165 -1.413 -6.185 12.902 1.00 10.00 H HETATM 1353 H2 HOH A 165 -2.521 -7.201 13.034 1.00 10.00 H HETATM 1354 O HOH A 166 -12.304 10.856 35.601 1.00 32.63 O HETATM 1355 H1 HOH A 166 -12.687 10.141 35.068 1.00 10.00 H HETATM 1356 H2 HOH A 166 -12.705 11.632 35.158 1.00 10.00 H HETATM 1357 O HOH A 167 0.197 12.657 16.980 1.00 28.77 O HETATM 1358 H1 HOH A 167 1.123 12.590 17.267 1.00 10.00 H HETATM 1359 H2 HOH A 167 0.168 12.017 16.251 1.00 10.00 H HETATM 1360 O HOH A 168 13.531 11.763 22.977 1.00 17.19 O HETATM 1361 H1 HOH A 168 13.426 10.810 23.123 1.00 10.00 H HETATM 1362 H2 HOH A 168 13.556 11.815 22.016 1.00 10.00 H HETATM 1363 O HOH A 169 -6.290 28.427 29.612 1.00 29.10 O HETATM 1364 H1 HOH A 169 -6.786 28.003 28.902 1.00 10.00 H HETATM 1365 H2 HOH A 169 -6.596 29.341 29.571 1.00 10.00 H HETATM 1366 O HOH A 170 10.183 12.743 35.672 1.00 47.08 O HETATM 1367 H1 HOH A 170 9.599 13.393 36.091 1.00 10.00 H HETATM 1368 H2 HOH A 170 9.588 12.371 35.005 1.00 10.00 H HETATM 1369 O HOH A 171 -3.908 10.858 35.081 1.00 47.72 O HETATM 1370 H1 HOH A 171 -2.949 10.914 35.165 1.00 10.00 H HETATM 1371 H2 HOH A 171 -4.041 11.063 34.137 1.00 10.00 H HETATM 1372 O HOH A 172 -6.472 33.867 16.596 1.00 39.49 O HETATM 1373 H1 HOH A 172 -6.469 34.176 17.523 1.00 10.00 H HETATM 1374 H2 HOH A 172 -6.247 32.933 16.693 1.00 10.00 H HETATM 1375 O HOH A 173 10.506 17.986 43.202 1.00 41.08 O HETATM 1376 H1 HOH A 173 10.399 18.763 42.650 1.00 10.00 H HETATM 1377 H2 HOH A 173 9.727 17.987 43.766 1.00 10.00 H HETATM 1378 O HOH A 174 -3.943 33.060 7.369 1.00 52.79 O HETATM 1379 H1 HOH A 174 -3.396 32.816 8.147 1.00 10.00 H HETATM 1380 H2 HOH A 174 -4.829 32.841 7.673 1.00 10.00 H HETATM 1381 O HOH A 175 -10.611 5.651 5.373 1.00 39.13 O HETATM 1382 H1 HOH A 175 -10.301 4.873 5.867 1.00 10.00 H HETATM 1383 H2 HOH A 175 -10.765 6.290 6.078 1.00 10.00 H HETATM 1384 O HOH A 177 4.029 7.752 -6.516 1.00 40.14 O HETATM 1385 H1 HOH A 177 4.425 7.884 -5.641 1.00 10.00 H HETATM 1386 H2 HOH A 177 4.792 7.476 -7.036 1.00 10.00 H HETATM 1387 O HOH A 178 3.323 7.555 10.638 1.00 31.76 O HETATM 1388 H1 HOH A 178 3.644 6.697 10.330 1.00 10.00 H HETATM 1389 H2 HOH A 178 3.518 7.507 11.604 1.00 10.00 H HETATM 1390 O HOH A 179 -0.286 23.979 3.911 1.00 36.59 O HETATM 1391 H1 HOH A 179 -0.191 24.517 3.122 1.00 10.00 H HETATM 1392 H2 HOH A 179 0.542 23.495 3.961 1.00 10.00 H HETATM 1393 O HOH A 180 -7.286 19.915 37.999 1.00 55.76 O HETATM 1394 H1 HOH A 180 -7.260 20.342 37.136 1.00 10.00 H HETATM 1395 H2 HOH A 180 -8.210 19.639 38.062 1.00 10.00 H HETATM 1396 O HOH A 181 -2.566 32.492 9.721 1.00 27.29 O HETATM 1397 H1 HOH A 181 -3.072 32.990 10.377 1.00 10.00 H HETATM 1398 H2 HOH A 181 -1.678 32.560 10.092 1.00 10.00 H HETATM 1399 O HOH A 182 -11.440 9.626 6.286 1.00 51.76 O HETATM 1400 H1 HOH A 182 -11.741 9.217 7.105 1.00 10.00 H HETATM 1401 H2 HOH A 182 -10.720 10.181 6.603 1.00 10.00 H HETATM 1402 O HOH A 183 -0.387 1.805 23.749 1.00 59.73 O HETATM 1403 H1 HOH A 183 -0.634 2.250 24.561 1.00 10.00 H HETATM 1404 H2 HOH A 183 -0.847 2.292 23.064 1.00 10.00 H HETATM 1405 O HOH A 190 12.792 21.943 12.363 1.00 39.22 O HETATM 1406 H1 HOH A 190 12.937 22.896 12.300 1.00 10.00 H HETATM 1407 H2 HOH A 190 13.398 21.673 13.062 1.00 10.00 H HETATM 1408 O HOH A 191 10.399 19.416 12.254 1.00 30.36 O HETATM 1409 H1 HOH A 191 11.265 19.571 11.854 1.00 10.00 H HETATM 1410 H2 HOH A 191 10.238 20.276 12.659 1.00 10.00 H HETATM 1411 O HOH A 192 -5.831 17.256 2.869 1.00 18.94 O HETATM 1412 H1 HOH A 192 -5.780 18.168 2.524 1.00 10.00 H HETATM 1413 H2 HOH A 192 -6.575 16.872 2.369 1.00 10.00 H HETATM 1414 O HOH A 194 -8.205 15.884 1.794 1.00 40.12 O HETATM 1415 H1 HOH A 194 -9.116 15.813 2.099 1.00 10.00 H HETATM 1416 H2 HOH A 194 -8.075 15.063 1.308 1.00 10.00 H HETATM 1417 O HOH A 195 0.480 16.166 2.020 1.00 45.55 O HETATM 1418 H1 HOH A 195 0.881 16.144 2.894 1.00 10.00 H HETATM 1419 H2 HOH A 195 1.110 15.684 1.474 1.00 10.00 H HETATM 1420 O HOH A 196 -11.545 18.847 1.709 1.00 34.44 O HETATM 1421 H1 HOH A 196 -11.895 18.354 0.960 1.00 10.00 H HETATM 1422 H2 HOH A 196 -11.491 18.176 2.409 1.00 10.00 H HETATM 1423 O HOH A 197 3.031 10.408 5.282 1.00 29.31 O HETATM 1424 H1 HOH A 197 3.997 10.387 5.250 1.00 10.00 H HETATM 1425 H2 HOH A 197 2.780 9.903 4.503 1.00 10.00 H HETATM 1426 O HOH A 198 -5.575 28.031 2.525 1.00 39.82 O HETATM 1427 H1 HOH A 198 -6.159 28.217 3.269 1.00 10.00 H HETATM 1428 H2 HOH A 198 -4.771 27.722 2.949 1.00 10.00 H HETATM 1429 O HOH A 199 16.808 18.605 37.491 1.00 49.75 O HETATM 1430 H1 HOH A 199 17.224 18.308 38.313 1.00 10.00 H HETATM 1431 H2 HOH A 199 17.350 19.376 37.248 1.00 10.00 H HETATM 1432 O HOH A 201 2.969 20.374 5.442 1.00 48.00 O HETATM 1433 H1 HOH A 201 3.558 20.060 6.143 1.00 10.00 H HETATM 1434 H2 HOH A 201 2.340 19.652 5.374 1.00 10.00 H HETATM 1435 O HOH A 202 7.782 25.820 15.612 1.00 38.25 O HETATM 1436 H1 HOH A 202 7.581 25.040 15.081 1.00 10.00 H HETATM 1437 H2 HOH A 202 7.373 26.505 15.070 1.00 10.00 H HETATM 1438 O HOH A 203 3.904 7.956 13.291 1.00 26.59 O HETATM 1439 H1 HOH A 203 3.633 8.406 14.100 1.00 10.00 H HETATM 1440 H2 HOH A 203 4.735 7.551 13.592 1.00 10.00 H HETATM 1441 O HOH A 204 6.419 29.847 6.477 1.00 30.73 O HETATM 1442 H1 HOH A 204 6.298 30.804 6.592 1.00 10.00 H HETATM 1443 H2 HOH A 204 5.518 29.581 6.272 1.00 10.00 H HETATM 1444 O HOH A 205 -4.484 21.593 -5.236 1.00 47.53 O HETATM 1445 H1 HOH A 205 -4.772 20.782 -5.650 1.00 10.00 H HETATM 1446 H2 HOH A 205 -4.351 22.168 -5.997 1.00 10.00 H HETATM 1447 O HOH A 206 7.118 15.194 3.902 1.00 42.93 O HETATM 1448 H1 HOH A 206 7.636 15.168 4.716 1.00 10.00 H HETATM 1449 H2 HOH A 206 7.642 15.756 3.328 1.00 10.00 H HETATM 1450 O HOH A 207 -0.830 6.901 7.678 1.00 50.08 O HETATM 1451 H1 HOH A 207 -0.802 6.192 7.033 1.00 10.00 H HETATM 1452 H2 HOH A 207 -1.494 7.497 7.321 1.00 10.00 H HETATM 1453 O HOH A 208 -8.934 8.387 16.497 1.00 53.01 O HETATM 1454 H1 HOH A 208 -8.968 7.587 17.065 1.00 10.00 H HETATM 1455 H2 HOH A 208 -8.610 8.018 15.669 1.00 10.00 H HETATM 1456 O HOH A 209 -3.347 11.868 26.114 1.00 33.50 O HETATM 1457 H1 HOH A 209 -3.209 11.645 27.040 1.00 10.00 H HETATM 1458 H2 HOH A 209 -2.431 12.072 25.830 1.00 10.00 H HETATM 1459 O HOH A 210 -2.550 4.595 14.806 1.00 57.82 O HETATM 1460 H1 HOH A 210 -2.070 4.984 14.066 1.00 10.00 H HETATM 1461 H2 HOH A 210 -2.240 3.686 14.820 1.00 10.00 H HETATM 1462 O HOH A 212 -12.669 13.993 22.496 1.00 48.03 O HETATM 1463 H1 HOH A 212 -12.462 14.701 21.865 1.00 10.00 H HETATM 1464 H2 HOH A 212 -12.706 14.465 23.332 1.00 10.00 H HETATM 1465 O HOH A 213 9.145 -12.620 27.630 1.00 43.10 O HETATM 1466 H1 HOH A 213 9.997 -13.062 27.654 1.00 10.00 H HETATM 1467 H2 HOH A 213 8.522 -13.355 27.566 1.00 10.00 H HETATM 1468 O HOH A 215 -3.194 8.772 19.576 1.00 28.61 O HETATM 1469 H1 HOH A 215 -2.343 9.222 19.702 1.00 10.00 H HETATM 1470 H2 HOH A 215 -3.155 8.571 18.637 1.00 10.00 H HETATM 1471 O HOH A 216 -0.930 12.645 25.335 1.00 65.05 O HETATM 1472 H1 HOH A 216 -1.317 13.062 24.551 1.00 10.00 H HETATM 1473 H2 HOH A 216 -0.105 13.122 25.464 1.00 10.00 H HETATM 1474 O HOH A 217 -13.853 5.561 26.735 1.00 47.48 O HETATM 1475 H1 HOH A 217 -14.414 6.021 26.108 1.00 10.00 H HETATM 1476 H2 HOH A 217 -14.469 5.173 27.361 1.00 10.00 H HETATM 1477 O HOH A 218 -12.241 18.385 27.960 1.00 54.94 O HETATM 1478 H1 HOH A 218 -11.397 18.430 28.436 1.00 10.00 H HETATM 1479 H2 HOH A 218 -12.280 19.279 27.607 1.00 10.00 H HETATM 1480 O HOH A 219 -23.054 12.025 28.177 1.00 41.40 O HETATM 1481 H1 HOH A 219 -22.106 12.065 28.357 1.00 10.00 H HETATM 1482 H2 HOH A 219 -23.146 11.139 27.801 1.00 10.00 H HETATM 1483 O HOH A 220 -14.188 24.661 5.388 1.00 30.74 O HETATM 1484 H1 HOH A 220 -14.446 23.852 4.927 1.00 10.00 H HETATM 1485 H2 HOH A 220 -13.243 24.737 5.219 1.00 10.00 H HETATM 1486 O HOH A 222 -19.740 25.503 10.279 1.00 63.36 O HETATM 1487 H1 HOH A 222 -19.675 24.916 11.054 1.00 10.00 H HETATM 1488 H2 HOH A 222 -20.276 24.989 9.665 1.00 10.00 H HETATM 1489 O HOH A 223 -14.993 20.175 16.813 1.00 28.17 O HETATM 1490 H1 HOH A 223 -15.759 20.446 17.332 1.00 10.00 H HETATM 1491 H2 HOH A 223 -15.171 19.242 16.623 1.00 10.00 H HETATM 1492 O HOH A 224 -25.508 19.590 15.469 1.00 35.97 O HETATM 1493 H1 HOH A 224 -24.613 19.335 15.744 1.00 10.00 H HETATM 1494 H2 HOH A 224 -25.449 19.532 14.511 1.00 10.00 H HETATM 1495 O HOH A 225 -15.425 16.091 11.353 1.00 47.43 O HETATM 1496 H1 HOH A 225 -15.601 16.681 10.606 1.00 10.00 H HETATM 1497 H2 HOH A 225 -16.297 16.116 11.768 1.00 10.00 H HETATM 1498 O HOH A 226 12.454 13.437 39.029 1.00 54.34 O HETATM 1499 H1 HOH A 226 11.607 13.556 39.472 1.00 10.00 H HETATM 1500 H2 HOH A 226 12.554 12.472 39.046 1.00 10.00 H HETATM 1501 O HOH A 227 1.765 16.615 19.655 1.00 14.28 O HETATM 1502 H1 HOH A 227 1.168 15.898 19.920 1.00 10.00 H HETATM 1503 H2 HOH A 227 2.620 16.297 19.980 1.00 10.00 H HETATM 1504 O HOH A 228 1.359 31.483 6.137 1.00 50.78 O HETATM 1505 H1 HOH A 228 0.447 31.247 6.336 1.00 10.00 H HETATM 1506 H2 HOH A 228 1.304 31.792 5.230 1.00 10.00 H HETATM 1507 O HOH A 229 5.657 26.174 22.414 1.00 33.03 O HETATM 1508 H1 HOH A 229 5.086 26.231 23.200 1.00 10.00 H HETATM 1509 H2 HOH A 229 6.206 25.409 22.622 1.00 10.00 H HETATM 1510 O HOH A 230 14.023 15.192 26.695 1.00 17.25 O HETATM 1511 H1 HOH A 230 14.315 15.352 25.798 1.00 10.00 H HETATM 1512 H2 HOH A 230 14.625 15.793 27.156 1.00 10.00 H HETATM 1513 O HOH A 231 14.555 25.344 27.071 1.00 34.88 O HETATM 1514 H1 HOH A 231 14.967 26.067 27.559 1.00 10.00 H HETATM 1515 H2 HOH A 231 13.642 25.358 27.439 1.00 10.00 H HETATM 1516 O HOH A 240 11.796 11.965 32.731 1.00 19.29 O HETATM 1517 H1 HOH A 240 11.031 12.371 32.284 1.00 10.00 H HETATM 1518 H2 HOH A 240 11.827 12.468 33.560 1.00 10.00 H HETATM 1519 O HOH A 241 9.723 12.976 31.067 1.00 26.27 O HETATM 1520 H1 HOH A 241 9.924 13.730 30.491 1.00 10.00 H HETATM 1521 H2 HOH A 241 8.957 13.347 31.547 1.00 10.00 H HETATM 1522 O HOH A 243 -5.881 9.575 24.533 1.00 42.46 O HETATM 1523 H1 HOH A 243 -5.185 10.196 24.780 1.00 10.00 H HETATM 1524 H2 HOH A 243 -5.627 8.771 24.987 1.00 10.00 H HETATM 1525 O HOH A 244 -4.185 11.401 32.186 1.00 53.43 O HETATM 1526 H1 HOH A 244 -4.768 12.022 31.731 1.00 10.00 H HETATM 1527 H2 HOH A 244 -3.520 11.239 31.501 1.00 10.00 H HETATM 1528 O HOH A 245 -8.565 16.080 27.587 1.00 34.82 O HETATM 1529 H1 HOH A 245 -7.680 16.199 27.211 1.00 10.00 H HETATM 1530 H2 HOH A 245 -8.948 15.399 27.028 1.00 10.00 H HETATM 1531 O HOH A 246 2.201 27.050 16.099 1.00 52.23 O HETATM 1532 H1 HOH A 246 2.093 26.130 15.828 1.00 10.00 H HETATM 1533 H2 HOH A 246 1.774 27.532 15.381 1.00 10.00 H HETATM 1534 O HOH A 247 7.827 28.923 14.465 1.00 27.10 O HETATM 1535 H1 HOH A 247 8.697 28.688 14.823 1.00 10.00 H HETATM 1536 H2 HOH A 247 7.947 28.780 13.524 1.00 10.00 H HETATM 1537 O HOH A 248 -13.315 27.250 12.384 1.00 48.86 O HETATM 1538 H1 HOH A 248 -12.438 27.635 12.226 1.00 10.00 H HETATM 1539 H2 HOH A 248 -13.767 27.378 11.545 1.00 10.00 H HETATM 1540 O HOH A 249 -2.099 18.486 0.851 1.00 37.84 O HETATM 1541 H1 HOH A 249 -2.591 17.894 0.277 1.00 10.00 H HETATM 1542 H2 HOH A 249 -1.349 17.939 1.126 1.00 10.00 H HETATM 1543 O HOH A 292 -8.715 6.216 18.186 1.00 46.20 O HETATM 1544 H1 HOH A 292 -9.217 5.900 18.953 1.00 10.00 H HETATM 1545 H2 HOH A 292 -8.303 5.398 17.878 1.00 10.00 H HETATM 1546 O HOH A 294 6.185 10.266 6.961 1.00 28.70 O HETATM 1547 H1 HOH A 294 6.710 9.671 6.404 1.00 10.00 H HETATM 1548 H2 HOH A 294 6.822 10.545 7.621 1.00 10.00 H HETATM 1549 O HOH A 295 -3.346 22.858 17.423 1.00 46.26 O HETATM 1550 H1 HOH A 295 -3.144 22.735 16.490 1.00 10.00 H HETATM 1551 H2 HOH A 295 -3.601 21.986 17.726 1.00 10.00 H HETATM 1552 O HOH A 296 -4.753 -9.107 16.022 1.00 37.10 O HETATM 1553 H1 HOH A 296 -5.404 -8.953 16.712 1.00 10.00 H HETATM 1554 H2 HOH A 296 -3.920 -8.900 16.463 1.00 10.00 H HETATM 1555 O HOH A 297 16.156 20.352 2.679 1.00 51.77 O HETATM 1556 H1 HOH A 297 16.956 20.104 3.160 1.00 10.00 H HETATM 1557 H2 HOH A 297 16.458 21.119 2.180 1.00 10.00 H HETATM 1558 O HOH A 298 -1.256 11.046 18.998 1.00 17.84 O HETATM 1559 H1 HOH A 298 -0.624 11.694 18.653 1.00 10.00 H HETATM 1560 H2 HOH A 298 -1.508 10.597 18.185 1.00 10.00 H HETATM 1561 O HOH A 299 7.530 25.224 11.072 1.00 24.12 O HETATM 1562 H1 HOH A 299 8.411 25.558 10.878 1.00 10.00 H HETATM 1563 H2 HOH A 299 7.392 25.471 11.991 1.00 10.00 H CONECT 63 1237 CONECT 300 1121 CONECT 646 795 CONECT 761 910 CONECT 795 646 CONECT 910 761 CONECT 1121 300 CONECT 1237 63 MASTER 309 0 0 7 3 0 0 6 1562 1 8 10 END