HEADER HYDROLASE(O-GLYCOSYL) 05-JUL-94 1LSA 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 1LSA 1 VERSN REVDAT 1 30-SEP-94 1LSA 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 : 9792 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) : 0.209 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 : 381 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 1LSA 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 (%): 36.13 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.93 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 18.61850 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 38.50400 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 38.50400 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 27.92775 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 38.50400 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 38.50400 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.30925 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 38.50400 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 38.50400 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 27.92775 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 38.50400 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 38.50400 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.30925 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 18.61850 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 HIS A 15 NE2 HIS A 15 CD2 -0.071 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 5 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES REMARK 500 ARG A 14 NE - CZ - NH1 ANGL. DEV. = 5.8 DEGREES REMARK 500 TYR A 20 CB - CG - CD1 ANGL. DEV. = -4.2 DEGREES REMARK 500 TRP A 28 CD1 - CG - CD2 ANGL. DEV. = 7.4 DEGREES REMARK 500 TRP A 28 CE2 - CD2 - CG ANGL. DEV. = -5.8 DEGREES REMARK 500 ASP A 52 CB - CG - OD1 ANGL. DEV. = 5.7 DEGREES REMARK 500 ARG A 61 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 TRP A 62 CD1 - CG - CD2 ANGL. DEV. = 8.1 DEGREES REMARK 500 TRP A 62 CG - CD1 - NE1 ANGL. DEV. = -6.2 DEGREES REMARK 500 TRP A 62 CE2 - CD2 - CG ANGL. DEV. = -6.9 DEGREES REMARK 500 TRP A 63 CD1 - CG - CD2 ANGL. DEV. = 5.1 DEGREES REMARK 500 TRP A 63 CE2 - CD2 - CG ANGL. DEV. = -5.3 DEGREES REMARK 500 SER A 72 N - CA - C ANGL. DEV. = 16.8 DEGREES REMARK 500 VAL A 99 CB - CA - C ANGL. DEV. = -15.2 DEGREES REMARK 500 TRP A 108 CD1 - CG - CD2 ANGL. DEV. = 6.4 DEGREES REMARK 500 TRP A 108 CE2 - CD2 - CG ANGL. DEV. = -5.2 DEGREES REMARK 500 TRP A 111 CD1 - CG - CD2 ANGL. DEV. = 5.8 DEGREES REMARK 500 TRP A 111 CE2 - CD2 - CG ANGL. DEV. = -5.0 DEGREES REMARK 500 ARG A 114 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES REMARK 500 TRP A 123 CD1 - CG - CD2 ANGL. DEV. = 7.0 DEGREES REMARK 500 TRP A 123 CE2 - CD2 - CG ANGL. DEV. = -6.3 DEGREES REMARK 500 ARG A 125 CB - CG - CD ANGL. DEV. = 17.4 DEGREES REMARK 500 ARG A 125 NE - CZ - NH1 ANGL. DEV. = 4.5 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 PRO A 70 136.07 -37.56 REMARK 500 SER A 72 161.35 -47.26 REMARK 500 ASP A 101 -18.02 -47.73 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 135 DISTANCE = 9.72 ANGSTROMS REMARK 525 HOH A 137 DISTANCE = 6.85 ANGSTROMS REMARK 525 HOH A 138 DISTANCE = 5.27 ANGSTROMS REMARK 525 HOH A 139 DISTANCE = 6.69 ANGSTROMS REMARK 525 HOH A 141 DISTANCE = 9.14 ANGSTROMS REMARK 525 HOH A 143 DISTANCE = 10.40 ANGSTROMS REMARK 525 HOH A 157 DISTANCE = 5.44 ANGSTROMS REMARK 525 HOH A 160 DISTANCE = 7.34 ANGSTROMS REMARK 525 HOH A 166 DISTANCE = 6.77 ANGSTROMS REMARK 525 HOH A 172 DISTANCE = 11.97 ANGSTROMS REMARK 525 HOH A 182 DISTANCE = 8.95 ANGSTROMS REMARK 525 HOH A 184 DISTANCE = 6.58 ANGSTROMS REMARK 525 HOH A 198 DISTANCE = 5.32 ANGSTROMS REMARK 525 HOH A 201 DISTANCE = 10.87 ANGSTROMS REMARK 525 HOH A 204 DISTANCE = 9.74 ANGSTROMS REMARK 525 HOH A 205 DISTANCE = 6.85 ANGSTROMS REMARK 525 HOH A 208 DISTANCE = 6.58 ANGSTROMS REMARK 525 HOH A 217 DISTANCE = 7.36 ANGSTROMS REMARK 525 HOH A 221 DISTANCE = 6.32 ANGSTROMS REMARK 525 HOH A 223 DISTANCE = 5.20 ANGSTROMS REMARK 525 HOH A 230 DISTANCE = 8.00 ANGSTROMS REMARK 525 HOH A 253 DISTANCE = 6.16 ANGSTROMS REMARK 525 HOH A 257 DISTANCE = 6.62 ANGSTROMS DBREF 1LSA 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 *127(H2 O) HELIX 1 1 GLY A 4 HIS A 15 1 12 HELIX 2 2 SER A 24 ASN A 37 1 14 HELIX 3 3 CYS A 80 SER A 85 5 6 HELIX 4 4 ILE A 88 ASP A 101 1 14 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 2.02 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.01 SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.04 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.08 CRYST1 77.008 77.008 37.237 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 0.012986 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012986 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026855 0.00000 ATOM 1 N LYS A 1 2.028 9.150 10.093 1.00 20.89 N ATOM 2 CA LYS A 1 1.045 9.646 9.119 1.00 21.00 C ATOM 3 C LYS A 1 1.147 11.163 8.869 1.00 20.44 C ATOM 4 O LYS A 1 1.203 11.939 9.820 1.00 20.43 O ATOM 5 CB LYS A 1 -0.402 9.390 9.565 1.00 20.86 C ATOM 6 CG LYS A 1 -1.419 9.806 8.499 1.00 23.44 C ATOM 7 CD LYS A 1 -2.840 9.455 8.894 1.00 24.97 C ATOM 8 CE LYS A 1 -3.878 10.099 7.981 1.00 25.88 C ATOM 9 NZ LYS A 1 -3.485 10.072 6.580 1.00 28.04 N ATOM 10 H1 LYS A 1 3.008 9.352 9.774 1.00 10.00 H ATOM 11 H2 LYS A 1 1.897 9.620 11.004 1.00 10.00 H ATOM 12 H3 LYS A 1 1.954 8.127 10.214 1.00 10.00 H ATOM 13 HZ1 LYS A 1 -3.327 9.110 6.229 1.00 10.00 H ATOM 14 HZ2 LYS A 1 -4.250 10.525 6.020 1.00 10.00 H ATOM 15 HZ3 LYS A 1 -2.643 10.644 6.386 1.00 10.00 H ATOM 16 N VAL A 2 1.198 11.578 7.603 1.00 19.84 N ATOM 17 CA VAL A 2 1.145 13.000 7.238 1.00 19.49 C ATOM 18 C VAL A 2 -0.311 13.293 6.807 1.00 19.10 C ATOM 19 O VAL A 2 -0.838 12.813 5.799 1.00 19.41 O ATOM 20 CB VAL A 2 2.165 13.327 6.062 1.00 18.87 C ATOM 21 CG1 VAL A 2 2.114 14.796 5.677 1.00 18.16 C ATOM 22 CG2 VAL A 2 3.612 13.064 6.526 1.00 18.23 C ATOM 23 H VAL A 2 1.358 10.906 6.908 1.00 10.00 H ATOM 24 N PHE A 3 -1.038 13.961 7.667 1.00 17.90 N ATOM 25 CA PHE A 3 -2.382 14.405 7.370 1.00 16.62 C ATOM 26 C PHE A 3 -2.440 15.493 6.322 1.00 16.97 C ATOM 27 O PHE A 3 -1.599 16.400 6.292 1.00 17.45 O ATOM 28 CB PHE A 3 -3.039 14.976 8.597 1.00 16.19 C ATOM 29 CG PHE A 3 -3.676 13.946 9.468 1.00 16.97 C ATOM 30 CD1 PHE A 3 -2.901 13.246 10.393 1.00 17.10 C ATOM 31 CD2 PHE A 3 -5.040 13.702 9.297 1.00 14.68 C ATOM 32 CE1 PHE A 3 -3.525 12.266 11.158 1.00 18.11 C ATOM 33 CE2 PHE A 3 -5.632 12.727 10.074 1.00 16.39 C ATOM 34 CZ PHE A 3 -4.893 12.009 10.999 1.00 16.38 C ATOM 35 H PHE A 3 -0.634 14.209 8.521 1.00 10.00 H ATOM 36 N GLY A 4 -3.406 15.397 5.422 1.00 16.41 N ATOM 37 CA GLY A 4 -3.738 16.549 4.588 1.00 17.08 C ATOM 38 C GLY A 4 -4.419 17.601 5.481 1.00 16.52 C ATOM 39 O GLY A 4 -4.947 17.296 6.551 1.00 17.41 O ATOM 40 H GLY A 4 -3.932 14.569 5.357 1.00 10.00 H ATOM 41 N ARG A 5 -4.436 18.865 5.118 1.00 17.13 N ATOM 42 CA ARG A 5 -5.051 19.923 5.889 1.00 18.06 C ATOM 43 C ARG A 5 -6.532 19.726 6.283 1.00 18.40 C ATOM 44 O ARG A 5 -6.914 19.748 7.459 1.00 19.09 O ATOM 45 CB ARG A 5 -4.836 21.188 5.057 1.00 18.82 C ATOM 46 CG ARG A 5 -5.537 22.388 5.608 1.00 18.17 C ATOM 47 CD ARG A 5 -5.186 23.536 4.700 1.00 17.75 C ATOM 48 NE ARG A 5 -5.786 23.542 3.369 1.00 19.45 N ATOM 49 CZ ARG A 5 -7.037 23.937 3.191 1.00 20.00 C ATOM 50 NH1 ARG A 5 -7.843 24.230 4.174 1.00 19.76 N ATOM 51 NH2 ARG A 5 -7.497 24.036 1.990 1.00 20.61 N ATOM 52 H ARG A 5 -3.953 19.071 4.291 1.00 10.00 H ATOM 53 HE ARG A 5 -5.236 23.270 2.605 1.00 10.00 H ATOM 54 HH11 ARG A 5 -7.531 24.166 5.129 1.00 10.00 H ATOM 55 HH12 ARG A 5 -8.781 24.494 3.965 1.00 10.00 H ATOM 56 HH21 ARG A 5 -6.903 23.841 1.216 1.00 10.00 H ATOM 57 HH22 ARG A 5 -8.446 24.333 1.853 1.00 10.00 H ATOM 58 N CYS A 6 -7.401 19.507 5.271 1.00 19.94 N ATOM 59 CA CYS A 6 -8.823 19.200 5.472 1.00 19.59 C ATOM 60 C CYS A 6 -9.012 17.842 6.082 1.00 19.18 C ATOM 61 O CYS A 6 -9.927 17.630 6.869 1.00 20.00 O ATOM 62 CB CYS A 6 -9.569 19.212 4.174 1.00 21.11 C ATOM 63 SG CYS A 6 -9.532 20.855 3.412 1.00 24.08 S ATOM 64 H CYS A 6 -7.036 19.545 4.364 1.00 10.00 H ATOM 65 N GLU A 7 -8.168 16.877 5.753 1.00 19.29 N ATOM 66 CA GLU A 7 -8.216 15.585 6.442 1.00 19.76 C ATOM 67 C GLU A 7 -7.964 15.744 7.949 1.00 20.10 C ATOM 68 O GLU A 7 -8.720 15.187 8.769 1.00 18.48 O ATOM 69 CB GLU A 7 -7.176 14.622 5.861 1.00 19.39 C ATOM 70 CG GLU A 7 -7.238 13.244 6.517 1.00 19.62 C ATOM 71 CD GLU A 7 -6.112 12.339 6.103 1.00 19.72 C ATOM 72 OE1 GLU A 7 -5.033 12.817 5.757 1.00 18.62 O ATOM 73 OE2 GLU A 7 -6.286 11.127 6.163 1.00 19.71 O ATOM 74 H GLU A 7 -7.522 16.995 5.020 1.00 10.00 H ATOM 75 N LEU A 8 -6.982 16.589 8.361 1.00 19.48 N ATOM 76 CA LEU A 8 -6.799 16.786 9.793 1.00 18.63 C ATOM 77 C LEU A 8 -7.940 17.602 10.382 1.00 17.92 C ATOM 78 O LEU A 8 -8.439 17.265 11.454 1.00 17.22 O ATOM 79 CB LEU A 8 -5.424 17.461 10.090 1.00 17.69 C ATOM 80 CG LEU A 8 -5.027 17.510 11.603 1.00 18.36 C ATOM 81 CD1 LEU A 8 -4.883 16.152 12.338 1.00 15.12 C ATOM 82 CD2 LEU A 8 -3.738 18.330 11.598 1.00 18.60 C ATOM 83 H LEU A 8 -6.381 16.990 7.703 1.00 10.00 H ATOM 84 N ALA A 9 -8.417 18.637 9.697 1.00 17.45 N ATOM 85 CA ALA A 9 -9.541 19.400 10.169 1.00 18.39 C ATOM 86 C ALA A 9 -10.746 18.529 10.510 1.00 20.21 C ATOM 87 O ALA A 9 -11.395 18.687 11.554 1.00 20.11 O ATOM 88 CB ALA A 9 -9.956 20.363 9.104 1.00 18.04 C ATOM 89 H ALA A 9 -7.929 18.928 8.900 1.00 10.00 H ATOM 90 N ALA A 10 -10.996 17.550 9.609 1.00 21.31 N ATOM 91 CA ALA A 10 -12.050 16.544 9.764 1.00 22.18 C ATOM 92 C ALA A 10 -11.879 15.707 11.048 1.00 22.63 C ATOM 93 O ALA A 10 -12.780 15.564 11.897 1.00 23.36 O ATOM 94 CB ALA A 10 -12.013 15.621 8.566 1.00 22.47 C ATOM 95 H ALA A 10 -10.452 17.556 8.791 1.00 10.00 H ATOM 96 N ALA A 11 -10.659 15.177 11.217 1.00 21.56 N ATOM 97 CA ALA A 11 -10.269 14.440 12.391 1.00 20.38 C ATOM 98 C ALA A 11 -10.461 15.173 13.713 1.00 19.84 C ATOM 99 O ALA A 11 -11.073 14.635 14.634 1.00 19.97 O ATOM 100 CB ALA A 11 -8.779 14.054 12.259 1.00 21.04 C ATOM 101 H ALA A 11 -10.000 15.334 10.504 1.00 10.00 H ATOM 102 N MET A 12 -9.940 16.391 13.832 1.00 18.87 N ATOM 103 CA MET A 12 -10.029 17.217 15.042 1.00 19.42 C ATOM 104 C MET A 12 -11.444 17.631 15.395 1.00 20.30 C ATOM 105 O MET A 12 -11.807 17.565 16.580 1.00 20.27 O ATOM 106 CB MET A 12 -9.223 18.494 14.914 1.00 19.62 C ATOM 107 CG MET A 12 -7.737 18.150 14.961 1.00 21.82 C ATOM 108 SD MET A 12 -6.740 19.646 14.687 1.00 23.83 S ATOM 109 CE MET A 12 -6.729 19.862 12.968 1.00 26.04 C ATOM 110 H MET A 12 -9.451 16.738 13.055 1.00 10.00 H ATOM 111 N LYS A 13 -12.226 18.006 14.366 1.00 20.30 N ATOM 112 CA LYS A 13 -13.657 18.256 14.576 1.00 21.61 C ATOM 113 C LYS A 13 -14.400 17.008 15.158 1.00 22.14 C ATOM 114 O LYS A 13 -15.031 17.012 16.229 1.00 22.22 O ATOM 115 CB LYS A 13 -14.264 18.655 13.240 1.00 21.72 C ATOM 116 CG LYS A 13 -15.631 19.292 13.462 1.00 24.92 C ATOM 117 CD LYS A 13 -16.197 19.776 12.168 1.00 26.44 C ATOM 118 CE LYS A 13 -17.631 20.096 12.447 1.00 28.57 C ATOM 119 NZ LYS A 13 -18.262 20.200 11.150 1.00 30.28 N ATOM 120 H LYS A 13 -11.822 18.138 13.477 1.00 10.00 H ATOM 121 HZ1 LYS A 13 -18.128 19.287 10.678 1.00 10.00 H ATOM 122 HZ2 LYS A 13 -19.264 20.400 11.340 1.00 10.00 H ATOM 123 HZ3 LYS A 13 -17.824 20.973 10.606 1.00 10.00 H ATOM 124 N ARG A 14 -14.211 15.857 14.492 1.00 21.50 N ATOM 125 CA ARG A 14 -14.784 14.608 14.964 1.00 22.99 C ATOM 126 C ARG A 14 -14.391 14.242 16.397 1.00 21.70 C ATOM 127 O ARG A 14 -15.177 13.673 17.153 1.00 22.75 O ATOM 128 CB ARG A 14 -14.385 13.478 13.987 1.00 24.97 C ATOM 129 CG ARG A 14 -14.760 12.069 14.497 1.00 27.30 C ATOM 130 CD ARG A 14 -14.288 10.976 13.578 1.00 28.62 C ATOM 131 NE ARG A 14 -13.062 11.260 12.852 1.00 31.74 N ATOM 132 CZ ARG A 14 -11.878 10.678 13.044 1.00 32.24 C ATOM 133 NH1 ARG A 14 -11.628 9.703 13.871 1.00 32.84 N ATOM 134 NH2 ARG A 14 -10.896 11.037 12.279 1.00 32.38 N ATOM 135 H ARG A 14 -13.672 15.887 13.674 1.00 10.00 H ATOM 136 HE ARG A 14 -13.127 11.909 12.128 1.00 10.00 H ATOM 137 HH11 ARG A 14 -12.432 9.281 14.271 1.00 10.00 H ATOM 138 HH12 ARG A 14 -10.765 9.208 13.936 1.00 10.00 H ATOM 139 HH21 ARG A 14 -11.015 11.710 11.553 1.00 10.00 H ATOM 140 HH22 ARG A 14 -10.007 10.609 12.407 1.00 10.00 H ATOM 141 N HIS A 15 -13.179 14.558 16.820 1.00 20.26 N ATOM 142 CA HIS A 15 -12.780 14.386 18.221 1.00 20.14 C ATOM 143 C HIS A 15 -13.183 15.514 19.162 1.00 20.02 C ATOM 144 O HIS A 15 -12.947 15.475 20.371 1.00 21.10 O ATOM 145 CB HIS A 15 -11.281 14.199 18.300 1.00 20.10 C ATOM 146 CG HIS A 15 -10.898 12.847 17.740 1.00 19.51 C ATOM 147 ND1 HIS A 15 -10.973 11.674 18.353 1.00 20.22 N ATOM 148 CD2 HIS A 15 -10.429 12.626 16.486 1.00 19.20 C ATOM 149 CE1 HIS A 15 -10.566 10.755 17.536 1.00 20.34 C ATOM 150 NE2 HIS A 15 -10.242 11.339 16.418 1.00 20.87 N ATOM 151 H HIS A 15 -12.566 14.934 16.150 1.00 10.00 H ATOM 152 HD1 HIS A 15 -11.337 11.482 19.245 1.00 10.00 H ATOM 153 HE2 HIS A 15 -9.812 10.838 15.699 1.00 10.00 H ATOM 154 N GLY A 16 -13.845 16.537 18.634 1.00 20.08 N ATOM 155 CA GLY A 16 -14.444 17.616 19.393 1.00 19.95 C ATOM 156 C GLY A 16 -13.585 18.814 19.700 1.00 19.86 C ATOM 157 O GLY A 16 -13.757 19.443 20.747 1.00 18.65 O ATOM 158 H GLY A 16 -13.928 16.583 17.661 1.00 10.00 H ATOM 159 N LEU A 17 -12.566 19.059 18.891 1.00 20.83 N ATOM 160 CA LEU A 17 -11.731 20.227 19.161 1.00 22.94 C ATOM 161 C LEU A 17 -12.213 21.589 18.640 1.00 23.67 C ATOM 162 O LEU A 17 -11.789 22.656 19.096 1.00 24.23 O ATOM 163 CB LEU A 17 -10.318 19.954 18.651 1.00 20.27 C ATOM 164 CG LEU A 17 -9.339 19.181 19.483 1.00 17.77 C ATOM 165 CD1 LEU A 17 -8.072 19.348 18.735 1.00 17.27 C ATOM 166 CD2 LEU A 17 -9.148 19.666 20.904 1.00 16.17 C ATOM 167 H LEU A 17 -12.422 18.477 18.118 1.00 10.00 H ATOM 168 N ASP A 18 -13.126 21.570 17.686 1.00 26.21 N ATOM 169 CA ASP A 18 -13.841 22.760 17.223 1.00 28.07 C ATOM 170 C ASP A 18 -14.645 23.481 18.324 1.00 27.17 C ATOM 171 O ASP A 18 -15.585 23.008 18.964 1.00 27.63 O ATOM 172 CB ASP A 18 -14.754 22.346 16.075 1.00 31.99 C ATOM 173 CG ASP A 18 -15.644 21.153 16.421 1.00 37.38 C ATOM 174 OD1 ASP A 18 -15.140 20.068 16.836 1.00 36.65 O ATOM 175 OD2 ASP A 18 -16.860 21.354 16.277 1.00 39.88 O ATOM 176 H ASP A 18 -13.352 20.709 17.279 1.00 10.00 H ATOM 177 N ASN A 19 -14.163 24.684 18.613 1.00 25.86 N ATOM 178 CA ASN A 19 -14.572 25.526 19.720 1.00 25.73 C ATOM 179 C ASN A 19 -14.259 24.868 21.072 1.00 25.02 C ATOM 180 O ASN A 19 -14.760 25.327 22.093 1.00 23.75 O ATOM 181 CB ASN A 19 -16.090 25.879 19.703 1.00 28.59 C ATOM 182 CG ASN A 19 -16.691 26.057 18.315 1.00 31.01 C ATOM 183 OD1 ASN A 19 -16.199 26.762 17.427 1.00 33.68 O ATOM 184 ND2 ASN A 19 -17.788 25.426 18.006 1.00 32.53 N ATOM 185 H ASN A 19 -13.405 24.964 18.065 1.00 10.00 H ATOM 186 HD21 ASN A 19 -18.073 25.536 17.081 1.00 10.00 H ATOM 187 HD22 ASN A 19 -18.253 24.848 18.644 1.00 10.00 H ATOM 188 N TYR A 20 -13.447 23.814 21.251 1.00 23.99 N ATOM 189 CA TYR A 20 -13.102 23.394 22.614 1.00 23.21 C ATOM 190 C TYR A 20 -12.338 24.535 23.355 1.00 23.23 C ATOM 191 O TYR A 20 -11.379 25.150 22.856 1.00 22.82 O ATOM 192 CB TYR A 20 -12.268 22.126 22.568 1.00 20.51 C ATOM 193 CG TYR A 20 -12.118 21.554 23.962 1.00 21.42 C ATOM 194 CD1 TYR A 20 -11.043 21.994 24.702 1.00 19.94 C ATOM 195 CD2 TYR A 20 -13.012 20.607 24.498 1.00 20.80 C ATOM 196 CE1 TYR A 20 -10.845 21.507 25.971 1.00 20.77 C ATOM 197 CE2 TYR A 20 -12.811 20.108 25.786 1.00 20.31 C ATOM 198 CZ TYR A 20 -11.708 20.579 26.495 1.00 20.50 C ATOM 199 OH TYR A 20 -11.389 20.143 27.750 1.00 20.79 O ATOM 200 H TYR A 20 -13.054 23.382 20.462 1.00 10.00 H ATOM 201 HH TYR A 20 -10.782 20.785 28.155 1.00 10.00 H ATOM 202 N ARG A 21 -12.828 24.880 24.566 1.00 23.41 N ATOM 203 CA ARG A 21 -12.347 26.030 25.384 1.00 23.71 C ATOM 204 C ARG A 21 -12.279 27.382 24.638 1.00 22.21 C ATOM 205 O ARG A 21 -11.432 28.264 24.816 1.00 21.37 O ATOM 206 CB ARG A 21 -10.953 25.750 25.961 1.00 26.49 C ATOM 207 CG ARG A 21 -10.777 24.623 26.944 1.00 29.03 C ATOM 208 CD ARG A 21 -11.314 24.866 28.289 1.00 32.90 C ATOM 209 NE ARG A 21 -10.719 26.066 28.860 1.00 37.77 N ATOM 210 CZ ARG A 21 -10.570 26.172 30.182 1.00 40.38 C ATOM 211 NH1 ARG A 21 -10.786 25.123 30.976 1.00 41.06 N ATOM 212 NH2 ARG A 21 -10.156 27.315 30.723 1.00 41.80 N ATOM 213 H ARG A 21 -13.543 24.311 24.912 1.00 10.00 H ATOM 214 HE ARG A 21 -10.410 26.787 28.271 1.00 10.00 H ATOM 215 HH11 ARG A 21 -11.034 24.241 30.580 1.00 10.00 H ATOM 216 HH12 ARG A 21 -10.628 25.223 31.960 1.00 10.00 H ATOM 217 HH21 ARG A 21 -9.995 28.107 30.141 1.00 10.00 H ATOM 218 HH22 ARG A 21 -10.064 27.365 31.720 1.00 10.00 H ATOM 219 N GLY A 22 -13.237 27.488 23.712 1.00 21.65 N ATOM 220 CA GLY A 22 -13.470 28.671 22.907 1.00 21.58 C ATOM 221 C GLY A 22 -12.586 28.774 21.687 1.00 21.72 C ATOM 222 O GLY A 22 -12.670 29.762 20.955 1.00 22.87 O ATOM 223 H GLY A 22 -13.838 26.720 23.605 1.00 10.00 H ATOM 224 N TYR A 23 -11.694 27.836 21.414 1.00 21.11 N ATOM 225 CA TYR A 23 -10.836 27.869 20.230 1.00 20.36 C ATOM 226 C TYR A 23 -11.396 27.198 18.962 1.00 19.76 C ATOM 227 O TYR A 23 -11.579 25.995 18.880 1.00 19.16 O ATOM 228 CB TYR A 23 -9.465 27.229 20.571 1.00 18.80 C ATOM 229 CG TYR A 23 -8.681 28.040 21.571 1.00 18.04 C ATOM 230 CD1 TYR A 23 -7.906 29.108 21.139 1.00 18.58 C ATOM 231 CD2 TYR A 23 -8.807 27.786 22.919 1.00 18.46 C ATOM 232 CE1 TYR A 23 -7.266 29.909 22.059 1.00 18.46 C ATOM 233 CE2 TYR A 23 -8.164 28.585 23.859 1.00 18.94 C ATOM 234 CZ TYR A 23 -7.405 29.658 23.420 1.00 19.25 C ATOM 235 OH TYR A 23 -6.783 30.485 24.350 1.00 17.77 O ATOM 236 H TYR A 23 -11.585 27.098 22.060 1.00 10.00 H ATOM 237 HH TYR A 23 -6.446 31.277 23.914 1.00 10.00 H ATOM 238 N SER A 24 -11.720 27.958 17.929 1.00 19.01 N ATOM 239 CA SER A 24 -12.187 27.445 16.636 1.00 19.28 C ATOM 240 C SER A 24 -11.276 26.429 15.921 1.00 20.30 C ATOM 241 O SER A 24 -10.049 26.561 16.024 1.00 19.58 O ATOM 242 CB SER A 24 -12.383 28.611 15.676 1.00 20.39 C ATOM 243 OG SER A 24 -11.113 29.175 15.279 1.00 21.57 O ATOM 244 H SER A 24 -11.653 28.925 18.053 1.00 10.00 H ATOM 245 HG SER A 24 -11.280 29.967 14.734 1.00 10.00 H ATOM 246 N LEU A 25 -11.797 25.445 15.146 1.00 20.14 N ATOM 247 CA LEU A 25 -11.008 24.455 14.404 1.00 20.05 C ATOM 248 C LEU A 25 -9.740 24.983 13.651 1.00 21.03 C ATOM 249 O LEU A 25 -8.638 24.401 13.667 1.00 19.82 O ATOM 250 CB LEU A 25 -11.974 23.771 13.437 1.00 19.12 C ATOM 251 CG LEU A 25 -11.531 22.450 12.808 1.00 19.04 C ATOM 252 CD1 LEU A 25 -11.250 21.496 13.950 1.00 19.53 C ATOM 253 CD2 LEU A 25 -12.571 21.888 11.837 1.00 16.65 C ATOM 254 H LEU A 25 -12.779 25.359 15.144 1.00 10.00 H ATOM 255 N GLY A 26 -9.906 26.196 13.069 1.00 21.11 N ATOM 256 CA GLY A 26 -8.832 26.960 12.422 1.00 20.31 C ATOM 257 C GLY A 26 -7.647 27.163 13.369 1.00 19.98 C ATOM 258 O GLY A 26 -6.493 26.974 12.956 1.00 21.17 O ATOM 259 H GLY A 26 -10.808 26.559 13.094 1.00 10.00 H ATOM 260 N ASN A 27 -7.890 27.476 14.661 1.00 18.83 N ATOM 261 CA ASN A 27 -6.798 27.574 15.631 1.00 17.68 C ATOM 262 C ASN A 27 -5.916 26.325 15.771 1.00 17.78 C ATOM 263 O ASN A 27 -4.684 26.373 15.646 1.00 16.41 O ATOM 264 CB ASN A 27 -7.344 27.918 17.006 1.00 18.08 C ATOM 265 CG ASN A 27 -7.698 29.390 17.062 1.00 19.35 C ATOM 266 OD1 ASN A 27 -6.840 30.266 17.024 1.00 19.16 O ATOM 267 ND2 ASN A 27 -8.945 29.784 17.114 1.00 18.92 N ATOM 268 H ASN A 27 -8.817 27.622 14.942 1.00 10.00 H ATOM 269 HD21 ASN A 27 -9.032 30.753 17.086 1.00 10.00 H ATOM 270 HD22 ASN A 27 -9.668 29.132 17.086 1.00 10.00 H ATOM 271 N TRP A 28 -6.623 25.205 15.965 1.00 16.74 N ATOM 272 CA TRP A 28 -6.061 23.856 16.064 1.00 15.91 C ATOM 273 C TRP A 28 -5.397 23.327 14.783 1.00 16.70 C ATOM 274 O TRP A 28 -4.335 22.674 14.846 1.00 16.82 O ATOM 275 CB TRP A 28 -7.164 22.878 16.480 1.00 14.10 C ATOM 276 CG TRP A 28 -7.750 23.190 17.825 1.00 11.92 C ATOM 277 CD1 TRP A 28 -8.966 23.762 17.934 1.00 12.65 C ATOM 278 CD2 TRP A 28 -7.146 22.952 19.027 1.00 13.56 C ATOM 279 NE1 TRP A 28 -9.155 23.893 19.217 1.00 14.06 N ATOM 280 CE2 TRP A 28 -8.100 23.434 19.917 1.00 13.35 C ATOM 281 CE3 TRP A 28 -5.937 22.402 19.453 1.00 12.29 C ATOM 282 CZ2 TRP A 28 -7.865 23.373 21.294 1.00 13.86 C ATOM 283 CZ3 TRP A 28 -5.711 22.339 20.807 1.00 14.47 C ATOM 284 CH2 TRP A 28 -6.657 22.821 21.725 1.00 13.93 C ATOM 285 H TRP A 28 -7.597 25.311 16.041 1.00 10.00 H ATOM 286 HE1 TRP A 28 -10.024 24.165 19.596 1.00 10.00 H ATOM 287 N VAL A 29 -5.949 23.636 13.601 1.00 15.86 N ATOM 288 CA VAL A 29 -5.260 23.248 12.375 1.00 16.07 C ATOM 289 C VAL A 29 -3.977 24.055 12.218 1.00 16.43 C ATOM 290 O VAL A 29 -2.915 23.489 11.933 1.00 15.06 O ATOM 291 CB VAL A 29 -6.167 23.434 11.110 1.00 15.11 C ATOM 292 CG1 VAL A 29 -5.497 22.919 9.815 1.00 14.02 C ATOM 293 CG2 VAL A 29 -7.423 22.563 11.307 1.00 13.29 C ATOM 294 H VAL A 29 -6.820 24.073 13.576 1.00 10.00 H ATOM 295 N CYS A 30 -4.061 25.357 12.524 1.00 16.35 N ATOM 296 CA CYS A 30 -2.913 26.254 12.403 1.00 16.34 C ATOM 297 C CYS A 30 -1.757 25.838 13.279 1.00 14.74 C ATOM 298 O CYS A 30 -0.631 25.716 12.797 1.00 14.26 O ATOM 299 CB CYS A 30 -3.274 27.725 12.769 1.00 17.66 C ATOM 300 SG CYS A 30 -1.986 28.929 12.422 1.00 18.26 S ATOM 301 H CYS A 30 -4.939 25.721 12.767 1.00 10.00 H ATOM 302 N ALA A 31 -2.059 25.554 14.545 1.00 14.84 N ATOM 303 CA ALA A 31 -1.078 24.998 15.483 1.00 15.96 C ATOM 304 C ALA A 31 -0.477 23.691 14.951 1.00 16.88 C ATOM 305 O ALA A 31 0.747 23.597 14.847 1.00 18.69 O ATOM 306 CB ALA A 31 -1.755 24.719 16.841 1.00 15.56 C ATOM 307 H ALA A 31 -2.960 25.780 14.861 1.00 10.00 H ATOM 308 N ALA A 32 -1.237 22.681 14.502 1.00 15.74 N ATOM 309 CA ALA A 32 -0.655 21.465 13.935 1.00 16.75 C ATOM 310 C ALA A 32 0.306 21.655 12.756 1.00 16.98 C ATOM 311 O ALA A 32 1.409 21.076 12.685 1.00 17.09 O ATOM 312 CB ALA A 32 -1.734 20.525 13.445 1.00 15.78 C ATOM 313 H ALA A 32 -2.209 22.765 14.575 1.00 10.00 H ATOM 314 N LYS A 33 -0.088 22.516 11.825 1.00 16.80 N ATOM 315 CA LYS A 33 0.787 22.913 10.710 1.00 17.46 C ATOM 316 C LYS A 33 2.164 23.410 11.161 1.00 17.33 C ATOM 317 O LYS A 33 3.154 22.856 10.682 1.00 16.26 O ATOM 318 CB LYS A 33 0.151 24.047 9.846 1.00 18.04 C ATOM 319 CG LYS A 33 0.952 24.462 8.638 1.00 18.30 C ATOM 320 CD LYS A 33 1.039 23.286 7.712 1.00 20.67 C ATOM 321 CE LYS A 33 1.566 23.527 6.291 1.00 23.70 C ATOM 322 NZ LYS A 33 2.826 24.248 6.299 1.00 27.24 N ATOM 323 H LYS A 33 -0.988 22.907 11.921 1.00 10.00 H ATOM 324 HZ1 LYS A 33 3.566 23.737 6.828 1.00 10.00 H ATOM 325 HZ2 LYS A 33 3.158 24.405 5.323 1.00 10.00 H ATOM 326 HZ3 LYS A 33 2.693 25.174 6.749 1.00 10.00 H ATOM 327 N PHE A 34 2.259 24.393 12.068 1.00 17.77 N ATOM 328 CA PHE A 34 3.559 24.909 12.514 1.00 18.78 C ATOM 329 C PHE A 34 4.258 24.117 13.620 1.00 20.31 C ATOM 330 O PHE A 34 5.491 24.225 13.749 1.00 21.47 O ATOM 331 CB PHE A 34 3.442 26.332 12.997 1.00 17.82 C ATOM 332 CG PHE A 34 2.975 27.207 11.851 1.00 16.56 C ATOM 333 CD1 PHE A 34 3.615 27.145 10.628 1.00 15.40 C ATOM 334 CD2 PHE A 34 1.879 28.017 12.039 1.00 14.49 C ATOM 335 CE1 PHE A 34 3.147 27.895 9.583 1.00 14.37 C ATOM 336 CE2 PHE A 34 1.434 28.746 10.983 1.00 14.04 C ATOM 337 CZ PHE A 34 2.056 28.694 9.759 1.00 13.60 C ATOM 338 H PHE A 34 1.424 24.778 12.425 1.00 10.00 H ATOM 339 N GLU A 35 3.501 23.290 14.376 1.00 20.17 N ATOM 340 CA GLU A 35 4.094 22.365 15.344 1.00 19.51 C ATOM 341 C GLU A 35 4.706 21.085 14.747 1.00 19.45 C ATOM 342 O GLU A 35 5.843 20.663 15.021 1.00 19.06 O ATOM 343 CB GLU A 35 3.040 21.962 16.391 1.00 19.52 C ATOM 344 CG GLU A 35 2.737 23.097 17.377 1.00 20.29 C ATOM 345 CD GLU A 35 3.869 23.576 18.291 1.00 21.31 C ATOM 346 OE1 GLU A 35 5.004 23.091 18.187 1.00 21.61 O ATOM 347 OE2 GLU A 35 3.618 24.478 19.100 1.00 21.85 O ATOM 348 H GLU A 35 2.530 23.374 14.330 1.00 10.00 H ATOM 349 N SER A 36 3.959 20.488 13.829 1.00 17.46 N ATOM 350 CA SER A 36 4.360 19.221 13.254 1.00 16.76 C ATOM 351 C SER A 36 4.253 19.145 11.743 1.00 16.50 C ATOM 352 O SER A 36 4.567 18.103 11.157 1.00 16.82 O ATOM 353 CB SER A 36 3.491 18.109 13.832 1.00 16.64 C ATOM 354 OG SER A 36 2.176 18.189 13.253 1.00 15.07 O ATOM 355 H SER A 36 3.090 20.888 13.620 1.00 10.00 H ATOM 356 HG SER A 36 1.586 18.554 13.934 1.00 10.00 H ATOM 357 N ASN A 37 3.782 20.185 11.044 1.00 16.27 N ATOM 358 CA ASN A 37 3.482 20.125 9.622 1.00 16.56 C ATOM 359 C ASN A 37 2.608 18.909 9.283 1.00 16.68 C ATOM 360 O ASN A 37 2.753 18.208 8.291 1.00 17.37 O ATOM 361 CB ASN A 37 4.788 20.108 8.909 1.00 18.92 C ATOM 362 CG ASN A 37 4.700 20.631 7.506 1.00 20.15 C ATOM 363 OD1 ASN A 37 5.636 20.454 6.742 1.00 23.77 O ATOM 364 ND2 ASN A 37 3.674 21.228 6.953 1.00 18.68 N ATOM 365 H ASN A 37 3.628 21.020 11.531 1.00 10.00 H ATOM 366 HD21 ASN A 37 3.874 21.419 6.018 1.00 10.00 H ATOM 367 HD22 ASN A 37 2.853 21.345 7.454 1.00 10.00 H ATOM 368 N PHE A 38 1.693 18.613 10.195 1.00 16.10 N ATOM 369 CA PHE A 38 0.643 17.597 10.047 1.00 17.14 C ATOM 370 C PHE A 38 1.131 16.131 10.039 1.00 17.21 C ATOM 371 O PHE A 38 0.390 15.188 9.738 1.00 15.75 O ATOM 372 CB PHE A 38 -0.216 17.859 8.748 1.00 16.28 C ATOM 373 CG PHE A 38 -0.918 19.216 8.620 1.00 15.42 C ATOM 374 CD1 PHE A 38 -1.384 19.914 9.733 1.00 13.50 C ATOM 375 CD2 PHE A 38 -1.082 19.740 7.347 1.00 14.78 C ATOM 376 CE1 PHE A 38 -2.002 21.128 9.535 1.00 13.15 C ATOM 377 CE2 PHE A 38 -1.704 20.958 7.168 1.00 12.78 C ATOM 378 CZ PHE A 38 -2.158 21.641 8.257 1.00 11.83 C ATOM 379 H PHE A 38 1.745 19.078 11.055 1.00 10.00 H ATOM 380 N ASN A 39 2.387 16.002 10.501 1.00 16.89 N ATOM 381 CA ASN A 39 3.061 14.714 10.607 1.00 17.19 C ATOM 382 C ASN A 39 2.922 14.130 12.023 1.00 16.37 C ATOM 383 O ASN A 39 3.532 14.644 12.962 1.00 16.62 O ATOM 384 CB ASN A 39 4.516 14.915 10.265 1.00 17.55 C ATOM 385 CG ASN A 39 5.287 13.607 10.153 1.00 19.54 C ATOM 386 OD1 ASN A 39 4.814 12.496 10.447 1.00 19.21 O ATOM 387 ND2 ASN A 39 6.531 13.700 9.738 1.00 19.98 N ATOM 388 H ASN A 39 2.842 16.806 10.817 1.00 10.00 H ATOM 389 HD21 ASN A 39 7.031 12.862 9.700 1.00 10.00 H ATOM 390 HD22 ASN A 39 6.891 14.575 9.498 1.00 10.00 H ATOM 391 N THR A 40 2.168 13.026 12.203 1.00 15.59 N ATOM 392 CA THR A 40 1.958 12.378 13.508 1.00 15.29 C ATOM 393 C THR A 40 3.211 11.891 14.186 1.00 14.26 C ATOM 394 O THR A 40 3.329 11.814 15.398 1.00 14.32 O ATOM 395 CB THR A 40 0.987 11.139 13.423 1.00 16.61 C ATOM 396 OG1 THR A 40 1.568 10.189 12.532 1.00 17.33 O ATOM 397 CG2 THR A 40 -0.431 11.518 12.970 1.00 15.29 C ATOM 398 H THR A 40 1.689 12.705 11.419 1.00 10.00 H ATOM 399 HG1 THR A 40 1.790 9.470 13.149 1.00 10.00 H ATOM 400 N GLN A 41 4.199 11.548 13.373 1.00 15.34 N ATOM 401 CA GLN A 41 5.456 11.059 13.917 1.00 15.03 C ATOM 402 C GLN A 41 6.462 12.137 14.335 1.00 15.20 C ATOM 403 O GLN A 41 7.514 11.764 14.840 1.00 15.64 O ATOM 404 CB GLN A 41 6.120 10.142 12.907 1.00 15.41 C ATOM 405 CG GLN A 41 5.275 8.950 12.571 1.00 16.28 C ATOM 406 CD GLN A 41 6.022 7.838 11.856 1.00 14.94 C ATOM 407 OE1 GLN A 41 5.830 7.567 10.687 1.00 16.23 O ATOM 408 NE2 GLN A 41 6.886 7.077 12.441 1.00 13.75 N ATOM 409 H GLN A 41 4.079 11.672 12.409 1.00 10.00 H ATOM 410 HE21 GLN A 41 7.303 6.497 11.776 1.00 10.00 H ATOM 411 HE22 GLN A 41 7.079 7.193 13.384 1.00 10.00 H ATOM 412 N ALA A 42 6.234 13.443 14.149 1.00 14.47 N ATOM 413 CA ALA A 42 7.187 14.459 14.546 1.00 16.69 C ATOM 414 C ALA A 42 7.534 14.468 16.010 1.00 16.09 C ATOM 415 O ALA A 42 6.730 14.270 16.911 1.00 15.64 O ATOM 416 CB ALA A 42 6.714 15.866 14.237 1.00 15.71 C ATOM 417 H ALA A 42 5.373 13.714 13.762 1.00 10.00 H ATOM 418 N THR A 43 8.855 14.551 16.137 1.00 16.89 N ATOM 419 CA THR A 43 9.524 14.610 17.422 1.00 18.28 C ATOM 420 C THR A 43 10.645 15.634 17.352 1.00 19.58 C ATOM 421 O THR A 43 11.403 15.794 16.362 1.00 18.78 O ATOM 422 CB THR A 43 10.235 13.249 17.931 1.00 17.67 C ATOM 423 OG1 THR A 43 11.295 12.891 17.034 1.00 17.48 O ATOM 424 CG2 THR A 43 9.267 12.084 17.996 1.00 18.60 C ATOM 425 H THR A 43 9.370 14.458 15.311 1.00 10.00 H ATOM 426 HG1 THR A 43 12.073 12.589 17.505 1.00 10.00 H ATOM 427 N ASN A 44 10.779 16.344 18.459 1.00 21.39 N ATOM 428 CA ASN A 44 11.964 17.177 18.650 1.00 23.39 C ATOM 429 C ASN A 44 12.204 17.648 20.050 1.00 22.61 C ATOM 430 O ASN A 44 11.368 17.867 20.886 1.00 22.09 O ATOM 431 CB ASN A 44 11.976 18.389 17.737 1.00 26.42 C ATOM 432 CG ASN A 44 10.593 18.830 17.500 1.00 27.97 C ATOM 433 OD1 ASN A 44 10.012 19.257 18.467 1.00 32.71 O ATOM 434 ND2 ASN A 44 9.942 18.615 16.381 1.00 28.66 N ATOM 435 H ASN A 44 10.008 16.425 19.081 1.00 10.00 H ATOM 436 HD21 ASN A 44 9.026 18.964 16.438 1.00 10.00 H ATOM 437 HD22 ASN A 44 10.356 18.163 15.637 1.00 10.00 H ATOM 438 N ARG A 45 13.475 17.504 20.355 1.00 24.40 N ATOM 439 CA ARG A 45 13.934 17.715 21.732 1.00 26.07 C ATOM 440 C ARG A 45 13.997 19.175 22.073 1.00 25.44 C ATOM 441 O ARG A 45 14.403 20.001 21.267 1.00 25.82 O ATOM 442 CB ARG A 45 15.339 17.116 21.959 1.00 27.23 C ATOM 443 CG ARG A 45 15.599 16.064 23.049 1.00 27.94 C ATOM 444 CD ARG A 45 16.363 14.856 22.437 1.00 32.13 C ATOM 445 NE ARG A 45 17.499 15.081 21.483 1.00 32.75 N ATOM 446 CZ ARG A 45 17.393 15.180 20.149 1.00 32.38 C ATOM 447 NH1 ARG A 45 16.240 15.014 19.558 1.00 31.07 N ATOM 448 NH2 ARG A 45 18.444 15.452 19.408 1.00 33.70 N ATOM 449 H ARG A 45 14.103 17.381 19.641 1.00 10.00 H ATOM 450 HE ARG A 45 18.389 15.143 21.890 1.00 10.00 H ATOM 451 HH11 ARG A 45 15.493 14.741 20.170 1.00 10.00 H ATOM 452 HH12 ARG A 45 16.171 14.885 18.579 1.00 10.00 H ATOM 453 HH21 ARG A 45 19.308 15.573 19.889 1.00 10.00 H ATOM 454 HH22 ARG A 45 18.460 15.521 18.410 1.00 10.00 H ATOM 455 N ASN A 46 13.501 19.446 23.238 1.00 25.64 N ATOM 456 CA ASN A 46 13.618 20.763 23.838 1.00 26.10 C ATOM 457 C ASN A 46 14.976 21.010 24.566 1.00 26.05 C ATOM 458 O ASN A 46 15.740 20.106 24.943 1.00 24.65 O ATOM 459 CB ASN A 46 12.460 20.941 24.827 1.00 24.28 C ATOM 460 CG ASN A 46 11.095 20.719 24.189 1.00 24.84 C ATOM 461 OD1 ASN A 46 10.301 19.985 24.733 1.00 25.12 O ATOM 462 ND2 ASN A 46 10.695 21.252 23.057 1.00 23.42 N ATOM 463 H ASN A 46 13.007 18.753 23.720 1.00 10.00 H ATOM 464 HD21 ASN A 46 9.768 20.993 22.834 1.00 10.00 H ATOM 465 HD22 ASN A 46 11.256 21.835 22.530 1.00 10.00 H ATOM 466 N THR A 47 15.253 22.292 24.802 1.00 26.80 N ATOM 467 CA THR A 47 16.456 22.656 25.529 1.00 28.33 C ATOM 468 C THR A 47 16.631 22.131 26.898 1.00 27.34 C ATOM 469 O THR A 47 17.771 21.876 27.280 1.00 29.06 O ATOM 470 CB THR A 47 16.695 24.104 25.802 1.00 30.08 C ATOM 471 OG1 THR A 47 15.468 24.728 26.201 1.00 32.29 O ATOM 472 CG2 THR A 47 17.449 24.652 24.607 1.00 31.86 C ATOM 473 H THR A 47 14.623 22.981 24.523 1.00 10.00 H ATOM 474 HG1 THR A 47 15.709 25.353 26.907 1.00 10.00 H ATOM 475 N ASP A 48 15.563 21.963 27.633 1.00 25.54 N ATOM 476 CA ASP A 48 15.673 21.458 28.990 1.00 24.92 C ATOM 477 C ASP A 48 15.755 19.943 29.198 1.00 24.08 C ATOM 478 O ASP A 48 15.520 19.390 30.286 1.00 23.36 O ATOM 479 CB ASP A 48 14.494 22.035 29.732 1.00 24.88 C ATOM 480 CG ASP A 48 13.163 21.490 29.264 1.00 24.52 C ATOM 481 OD1 ASP A 48 13.050 20.873 28.196 1.00 22.98 O ATOM 482 OD2 ASP A 48 12.254 21.667 30.053 1.00 26.44 O ATOM 483 H ASP A 48 14.669 22.202 27.298 1.00 10.00 H ATOM 484 N GLY A 49 15.911 19.295 28.052 1.00 23.31 N ATOM 485 CA GLY A 49 15.977 17.850 28.055 1.00 21.89 C ATOM 486 C GLY A 49 14.688 17.111 27.794 1.00 20.52 C ATOM 487 O GLY A 49 14.766 15.912 27.510 1.00 22.22 O ATOM 488 H GLY A 49 15.979 19.790 27.210 1.00 10.00 H ATOM 489 N SER A 50 13.526 17.754 27.876 1.00 18.30 N ATOM 490 CA SER A 50 12.297 17.107 27.469 1.00 18.10 C ATOM 491 C SER A 50 12.184 17.073 25.935 1.00 17.40 C ATOM 492 O SER A 50 13.036 17.559 25.144 1.00 16.50 O ATOM 493 CB SER A 50 11.053 17.821 28.026 1.00 17.73 C ATOM 494 OG SER A 50 10.894 19.109 27.483 1.00 17.30 O ATOM 495 H SER A 50 13.502 18.701 28.149 1.00 10.00 H ATOM 496 HG SER A 50 10.158 19.191 26.845 1.00 10.00 H ATOM 497 N THR A 51 11.143 16.360 25.487 1.00 16.51 N ATOM 498 CA THR A 51 10.878 16.210 24.073 1.00 15.91 C ATOM 499 C THR A 51 9.412 16.456 23.759 1.00 17.61 C ATOM 500 O THR A 51 8.512 16.145 24.556 1.00 18.70 O ATOM 501 CB THR A 51 11.248 14.774 23.598 1.00 14.80 C ATOM 502 OG1 THR A 51 12.613 14.566 23.877 1.00 13.87 O ATOM 503 CG2 THR A 51 11.295 14.603 22.090 1.00 14.25 C ATOM 504 H THR A 51 10.540 15.941 26.135 1.00 10.00 H ATOM 505 HG1 THR A 51 12.920 15.378 24.321 1.00 10.00 H ATOM 506 N ASP A 52 9.160 16.907 22.541 1.00 17.16 N ATOM 507 CA ASP A 52 7.787 17.117 22.075 1.00 17.17 C ATOM 508 C ASP A 52 7.420 16.085 21.009 1.00 15.63 C ATOM 509 O ASP A 52 8.196 15.722 20.113 1.00 14.61 O ATOM 510 CB ASP A 52 7.626 18.518 21.464 1.00 16.41 C ATOM 511 CG ASP A 52 7.761 19.687 22.402 1.00 18.22 C ATOM 512 OD1 ASP A 52 7.710 19.595 23.634 1.00 17.25 O ATOM 513 OD2 ASP A 52 7.911 20.759 21.843 1.00 21.21 O ATOM 514 H ASP A 52 9.883 17.274 21.998 1.00 10.00 H ATOM 515 N TYR A 53 6.212 15.566 21.211 1.00 15.38 N ATOM 516 CA TYR A 53 5.650 14.476 20.397 1.00 15.36 C ATOM 517 C TYR A 53 4.328 14.732 19.680 1.00 15.75 C ATOM 518 O TYR A 53 3.336 15.232 20.240 1.00 15.50 O ATOM 519 CB TYR A 53 5.405 13.207 21.259 1.00 15.52 C ATOM 520 CG TYR A 53 6.653 12.680 21.929 1.00 16.92 C ATOM 521 CD1 TYR A 53 6.980 13.183 23.158 1.00 18.07 C ATOM 522 CD2 TYR A 53 7.480 11.766 21.315 1.00 18.32 C ATOM 523 CE1 TYR A 53 8.132 12.799 23.792 1.00 18.69 C ATOM 524 CE2 TYR A 53 8.662 11.366 21.948 1.00 19.91 C ATOM 525 CZ TYR A 53 8.981 11.888 23.194 1.00 19.43 C ATOM 526 OH TYR A 53 10.142 11.546 23.891 1.00 18.92 O ATOM 527 H TYR A 53 5.750 15.879 22.019 1.00 10.00 H ATOM 528 HH TYR A 53 10.629 10.797 23.544 1.00 10.00 H ATOM 529 N GLY A 54 4.374 14.303 18.435 1.00 15.45 N ATOM 530 CA GLY A 54 3.208 14.186 17.592 1.00 15.68 C ATOM 531 C GLY A 54 2.686 15.411 16.825 1.00 16.43 C ATOM 532 O GLY A 54 3.320 16.462 16.660 1.00 14.05 O ATOM 533 H GLY A 54 5.243 14.024 18.081 1.00 10.00 H ATOM 534 N ILE A 55 1.419 15.260 16.398 1.00 16.24 N ATOM 535 CA ILE A 55 0.750 16.278 15.641 1.00 16.49 C ATOM 536 C ILE A 55 0.697 17.654 16.363 1.00 14.74 C ATOM 537 O ILE A 55 0.739 18.702 15.746 1.00 13.86 O ATOM 538 CB ILE A 55 -0.632 15.637 15.311 1.00 18.09 C ATOM 539 CG1 ILE A 55 -1.284 16.353 14.141 1.00 19.32 C ATOM 540 CG2 ILE A 55 -1.525 15.660 16.555 1.00 19.52 C ATOM 541 CD1 ILE A 55 -0.528 16.012 12.883 1.00 20.81 C ATOM 542 H ILE A 55 0.984 14.387 16.531 1.00 10.00 H ATOM 543 N LEU A 56 0.665 17.708 17.680 1.00 15.64 N ATOM 544 CA LEU A 56 0.591 18.962 18.402 1.00 17.21 C ATOM 545 C LEU A 56 1.734 19.146 19.398 1.00 18.00 C ATOM 546 O LEU A 56 1.664 19.863 20.411 1.00 19.01 O ATOM 547 CB LEU A 56 -0.807 19.040 19.111 1.00 17.49 C ATOM 548 CG LEU A 56 -2.043 19.348 18.274 1.00 17.09 C ATOM 549 CD1 LEU A 56 -3.348 19.040 19.070 1.00 17.95 C ATOM 550 CD2 LEU A 56 -1.977 20.830 17.875 1.00 16.79 C ATOM 551 H LEU A 56 0.602 16.853 18.152 1.00 10.00 H ATOM 552 N GLN A 57 2.811 18.408 19.094 1.00 17.55 N ATOM 553 CA GLN A 57 4.057 18.516 19.867 1.00 17.29 C ATOM 554 C GLN A 57 3.932 18.649 21.391 1.00 16.85 C ATOM 555 O GLN A 57 4.239 19.636 22.019 1.00 16.08 O ATOM 556 CB GLN A 57 4.817 19.674 19.257 1.00 16.37 C ATOM 557 CG GLN A 57 5.249 19.396 17.824 1.00 15.78 C ATOM 558 CD GLN A 57 6.426 18.450 17.746 1.00 15.07 C ATOM 559 OE1 GLN A 57 7.570 18.832 17.917 1.00 13.12 O ATOM 560 NE2 GLN A 57 6.264 17.153 17.523 1.00 14.67 N ATOM 561 H GLN A 57 2.778 17.849 18.288 1.00 10.00 H ATOM 562 HE21 GLN A 57 7.083 16.640 17.634 1.00 10.00 H ATOM 563 HE22 GLN A 57 5.379 16.791 17.312 1.00 10.00 H ATOM 564 N ILE A 58 3.301 17.617 21.956 1.00 17.26 N ATOM 565 CA ILE A 58 3.023 17.509 23.382 1.00 17.29 C ATOM 566 C ILE A 58 4.288 17.094 24.146 1.00 19.08 C ATOM 567 O ILE A 58 5.008 16.103 23.913 1.00 19.55 O ATOM 568 CB ILE A 58 1.848 16.493 23.593 1.00 17.15 C ATOM 569 CG1 ILE A 58 0.586 17.060 22.924 1.00 17.18 C ATOM 570 CG2 ILE A 58 1.593 16.235 25.059 1.00 16.17 C ATOM 571 CD1 ILE A 58 -0.717 16.298 23.158 1.00 17.40 C ATOM 572 H ILE A 58 3.039 16.881 21.370 1.00 10.00 H ATOM 573 N ASN A 59 4.522 17.981 25.093 1.00 20.35 N ATOM 574 CA ASN A 59 5.701 17.946 25.906 1.00 21.52 C ATOM 575 C ASN A 59 5.811 16.832 26.950 1.00 22.02 C ATOM 576 O ASN A 59 4.974 16.649 27.845 1.00 23.61 O ATOM 577 CB ASN A 59 5.835 19.334 26.588 1.00 22.99 C ATOM 578 CG ASN A 59 7.280 19.775 26.757 1.00 23.79 C ATOM 579 OD1 ASN A 59 8.137 18.936 26.998 1.00 24.57 O ATOM 580 ND2 ASN A 59 7.674 21.026 26.754 1.00 23.99 N ATOM 581 H ASN A 59 3.922 18.756 25.152 1.00 10.00 H ATOM 582 HD21 ASN A 59 8.647 21.146 26.843 1.00 10.00 H ATOM 583 HD22 ASN A 59 7.035 21.740 26.608 1.00 10.00 H ATOM 584 N SER A 60 6.956 16.161 26.915 1.00 21.07 N ATOM 585 CA SER A 60 7.300 15.152 27.905 1.00 22.10 C ATOM 586 C SER A 60 7.661 15.668 29.315 1.00 23.17 C ATOM 587 O SER A 60 7.833 14.903 30.267 1.00 24.23 O ATOM 588 CB SER A 60 8.471 14.284 27.378 1.00 20.40 C ATOM 589 OG SER A 60 9.761 14.854 27.443 1.00 17.79 O ATOM 590 H SER A 60 7.561 16.351 26.161 1.00 10.00 H ATOM 591 HG SER A 60 10.344 14.058 27.539 1.00 10.00 H ATOM 592 N ARG A 61 7.761 16.985 29.550 1.00 24.53 N ATOM 593 CA ARG A 61 8.095 17.568 30.874 1.00 25.44 C ATOM 594 C ARG A 61 6.946 17.528 31.876 1.00 24.74 C ATOM 595 O ARG A 61 7.129 17.406 33.084 1.00 25.12 O ATOM 596 CB ARG A 61 8.554 19.044 30.734 1.00 26.67 C ATOM 597 CG ARG A 61 8.866 19.758 32.059 1.00 29.31 C ATOM 598 CD ARG A 61 10.361 19.960 32.330 1.00 33.54 C ATOM 599 NE ARG A 61 11.208 18.777 32.617 1.00 36.59 N ATOM 600 CZ ARG A 61 12.535 18.750 32.417 1.00 36.89 C ATOM 601 NH1 ARG A 61 13.205 19.726 31.860 1.00 38.11 N ATOM 602 NH2 ARG A 61 13.220 17.697 32.772 1.00 38.07 N ATOM 603 H ARG A 61 7.760 17.555 28.749 1.00 10.00 H ATOM 604 HE ARG A 61 10.769 17.960 32.932 1.00 10.00 H ATOM 605 HH11 ARG A 61 12.711 20.505 31.461 1.00 10.00 H ATOM 606 HH12 ARG A 61 14.187 19.647 31.669 1.00 10.00 H ATOM 607 HH21 ARG A 61 12.764 16.922 33.200 1.00 10.00 H ATOM 608 HH22 ARG A 61 14.178 17.601 32.473 1.00 10.00 H ATOM 609 N TRP A 62 5.745 17.659 31.301 1.00 25.07 N ATOM 610 CA TRP A 62 4.458 17.618 32.005 1.00 24.09 C ATOM 611 C TRP A 62 3.385 16.632 31.563 1.00 21.70 C ATOM 612 O TRP A 62 2.679 16.108 32.412 1.00 20.66 O ATOM 613 CB TRP A 62 3.726 18.906 31.950 1.00 26.23 C ATOM 614 CG TRP A 62 4.590 20.072 32.278 1.00 29.48 C ATOM 615 CD1 TRP A 62 5.176 20.782 31.267 1.00 31.26 C ATOM 616 CD2 TRP A 62 4.852 20.549 33.525 1.00 31.51 C ATOM 617 NE1 TRP A 62 5.823 21.738 31.888 1.00 31.91 N ATOM 618 CE2 TRP A 62 5.660 21.633 33.215 1.00 32.25 C ATOM 619 CE3 TRP A 62 4.533 20.240 34.823 1.00 33.97 C ATOM 620 CZ2 TRP A 62 6.184 22.454 34.186 1.00 33.56 C ATOM 621 CZ3 TRP A 62 5.048 21.055 35.811 1.00 35.13 C ATOM 622 CH2 TRP A 62 5.862 22.145 35.492 1.00 35.01 C ATOM 623 H TRP A 62 5.751 17.808 30.335 1.00 10.00 H ATOM 624 HE1 TRP A 62 6.319 22.454 31.434 1.00 10.00 H ATOM 625 N TRP A 63 3.237 16.313 30.284 1.00 21.38 N ATOM 626 CA TRP A 63 2.032 15.606 29.815 1.00 20.01 C ATOM 627 C TRP A 63 2.111 14.138 29.446 1.00 19.48 C ATOM 628 O TRP A 63 1.151 13.403 29.590 1.00 18.88 O ATOM 629 CB TRP A 63 1.440 16.393 28.627 1.00 19.54 C ATOM 630 CG TRP A 63 1.226 17.877 28.957 1.00 19.09 C ATOM 631 CD1 TRP A 63 2.069 18.849 28.464 1.00 21.46 C ATOM 632 CD2 TRP A 63 0.285 18.414 29.812 1.00 20.77 C ATOM 633 NE1 TRP A 63 1.700 19.992 29.016 1.00 20.61 N ATOM 634 CE2 TRP A 63 0.641 19.775 29.820 1.00 20.55 C ATOM 635 CE3 TRP A 63 -0.803 17.964 30.565 1.00 20.79 C ATOM 636 CZ2 TRP A 63 -0.063 20.705 30.569 1.00 20.12 C ATOM 637 CZ3 TRP A 63 -1.499 18.905 31.307 1.00 19.98 C ATOM 638 CH2 TRP A 63 -1.131 20.247 31.310 1.00 18.88 C ATOM 639 H TRP A 63 3.938 16.561 29.644 1.00 10.00 H ATOM 640 HE1 TRP A 63 2.119 20.876 28.853 1.00 10.00 H ATOM 641 N CYS A 64 3.222 13.625 28.979 1.00 19.93 N ATOM 642 CA CYS A 64 3.346 12.196 28.711 1.00 19.92 C ATOM 643 C CYS A 64 4.646 11.603 29.222 1.00 20.14 C ATOM 644 O CYS A 64 5.565 12.346 29.567 1.00 21.66 O ATOM 645 CB CYS A 64 3.265 11.918 27.246 1.00 19.22 C ATOM 646 SG CYS A 64 4.608 12.724 26.331 1.00 20.13 S ATOM 647 H CYS A 64 3.980 14.217 28.808 1.00 10.00 H ATOM 648 N ASN A 65 4.754 10.292 29.386 1.00 19.44 N ATOM 649 CA ASN A 65 6.002 9.677 29.798 1.00 20.00 C ATOM 650 C ASN A 65 6.808 9.033 28.669 1.00 19.89 C ATOM 651 O ASN A 65 6.339 8.164 27.925 1.00 19.13 O ATOM 652 CB ASN A 65 5.750 8.621 30.864 1.00 20.50 C ATOM 653 CG ASN A 65 7.065 7.918 31.212 1.00 23.49 C ATOM 654 OD1 ASN A 65 8.006 8.487 31.767 1.00 24.05 O ATOM 655 ND2 ASN A 65 7.324 6.683 30.835 1.00 24.34 N ATOM 656 H ASN A 65 3.938 9.761 29.290 1.00 10.00 H ATOM 657 HD21 ASN A 65 8.188 6.331 31.113 1.00 10.00 H ATOM 658 HD22 ASN A 65 6.678 6.195 30.295 1.00 10.00 H ATOM 659 N ASP A 66 8.047 9.518 28.561 1.00 19.72 N ATOM 660 CA ASP A 66 9.033 8.960 27.627 1.00 18.60 C ATOM 661 C ASP A 66 10.250 8.348 28.360 1.00 17.70 C ATOM 662 O ASP A 66 11.294 8.014 27.814 1.00 17.72 O ATOM 663 CB ASP A 66 9.480 10.082 26.668 1.00 17.49 C ATOM 664 CG ASP A 66 10.376 11.203 27.239 1.00 16.83 C ATOM 665 OD1 ASP A 66 10.712 11.225 28.429 1.00 17.64 O ATOM 666 OD2 ASP A 66 10.733 12.103 26.487 1.00 15.93 O ATOM 667 H ASP A 66 8.301 10.323 29.073 1.00 10.00 H ATOM 668 N GLY A 67 10.207 8.269 29.667 1.00 17.87 N ATOM 669 CA GLY A 67 11.260 7.682 30.470 1.00 19.71 C ATOM 670 C GLY A 67 12.599 8.389 30.413 1.00 21.21 C ATOM 671 O GLY A 67 13.553 7.836 30.974 1.00 23.38 O ATOM 672 H GLY A 67 9.442 8.697 30.101 1.00 10.00 H ATOM 673 N ARG A 68 12.781 9.540 29.775 1.00 19.85 N ATOM 674 CA ARG A 68 14.075 10.216 29.772 1.00 20.22 C ATOM 675 C ARG A 68 13.950 11.724 30.055 1.00 20.79 C ATOM 676 O ARG A 68 14.727 12.559 29.593 1.00 21.77 O ATOM 677 CB ARG A 68 14.778 9.994 28.416 1.00 18.30 C ATOM 678 CG ARG A 68 14.117 10.647 27.259 1.00 18.19 C ATOM 679 CD ARG A 68 14.990 10.501 26.061 1.00 19.92 C ATOM 680 NE ARG A 68 14.548 11.450 25.045 1.00 20.91 N ATOM 681 CZ ARG A 68 15.085 11.558 23.834 1.00 21.33 C ATOM 682 NH1 ARG A 68 16.045 10.782 23.405 1.00 22.64 N ATOM 683 NH2 ARG A 68 14.643 12.439 22.968 1.00 20.64 N ATOM 684 H ARG A 68 12.035 9.904 29.241 1.00 10.00 H ATOM 685 HE ARG A 68 13.726 11.950 25.242 1.00 10.00 H ATOM 686 HH11 ARG A 68 16.443 10.091 24.019 1.00 10.00 H ATOM 687 HH12 ARG A 68 16.427 10.906 22.488 1.00 10.00 H ATOM 688 HH21 ARG A 68 13.861 13.017 23.232 1.00 10.00 H ATOM 689 HH22 ARG A 68 15.068 12.429 22.077 1.00 10.00 H ATOM 690 N THR A 69 12.965 12.142 30.815 1.00 21.23 N ATOM 691 CA THR A 69 12.840 13.544 31.204 1.00 23.02 C ATOM 692 C THR A 69 12.768 13.604 32.724 1.00 25.30 C ATOM 693 O THR A 69 11.732 13.434 33.361 1.00 26.15 O ATOM 694 CB THR A 69 11.582 14.176 30.635 1.00 21.11 C ATOM 695 OG1 THR A 69 11.584 13.805 29.262 1.00 20.47 O ATOM 696 CG2 THR A 69 11.494 15.691 30.846 1.00 19.94 C ATOM 697 H THR A 69 12.266 11.496 31.047 1.00 10.00 H ATOM 698 HG1 THR A 69 12.426 13.783 28.778 1.00 10.00 H ATOM 699 N PRO A 70 13.915 13.694 33.388 1.00 28.29 N ATOM 700 CA PRO A 70 13.963 13.981 34.820 1.00 29.27 C ATOM 701 C PRO A 70 12.955 14.974 35.409 1.00 30.37 C ATOM 702 O PRO A 70 12.572 15.991 34.787 1.00 31.02 O ATOM 703 CB PRO A 70 15.414 14.407 34.992 1.00 30.61 C ATOM 704 CG PRO A 70 16.189 13.432 34.107 1.00 29.51 C ATOM 705 CD PRO A 70 15.259 13.313 32.907 1.00 30.25 C ATOM 706 N GLY A 71 12.382 14.617 36.561 1.00 30.41 N ATOM 707 CA GLY A 71 11.556 15.556 37.301 1.00 31.92 C ATOM 708 C GLY A 71 10.139 15.675 36.796 1.00 32.62 C ATOM 709 O GLY A 71 9.240 16.190 37.442 1.00 33.56 O ATOM 710 H GLY A 71 12.367 13.671 36.818 1.00 10.00 H ATOM 711 N SER A 72 9.971 15.187 35.590 1.00 33.30 N ATOM 712 CA SER A 72 8.722 15.138 34.920 1.00 33.95 C ATOM 713 C SER A 72 7.394 14.657 35.466 1.00 35.24 C ATOM 714 O SER A 72 7.184 13.881 36.415 1.00 36.30 O ATOM 715 CB SER A 72 8.940 14.390 33.658 1.00 34.07 C ATOM 716 OG SER A 72 9.315 15.372 32.719 1.00 35.12 O ATOM 717 H SER A 72 10.738 14.883 35.076 1.00 10.00 H ATOM 718 HG SER A 72 9.096 14.954 31.865 1.00 10.00 H ATOM 719 N ARG A 73 6.444 15.140 34.697 1.00 34.38 N ATOM 720 CA ARG A 73 5.117 14.684 34.880 1.00 34.34 C ATOM 721 C ARG A 73 4.550 14.026 33.623 1.00 32.70 C ATOM 722 O ARG A 73 5.004 14.168 32.481 1.00 32.72 O ATOM 723 CB ARG A 73 4.275 15.884 35.362 1.00 36.60 C ATOM 724 CG ARG A 73 4.409 16.127 36.869 1.00 39.44 C ATOM 725 CD ARG A 73 4.140 14.832 37.691 1.00 43.99 C ATOM 726 NE ARG A 73 3.197 13.873 37.080 1.00 46.69 N ATOM 727 CZ ARG A 73 2.178 13.273 37.680 1.00 48.28 C ATOM 728 NH1 ARG A 73 1.874 13.504 38.945 1.00 48.72 N ATOM 729 NH2 ARG A 73 1.461 12.417 36.977 1.00 48.35 N ATOM 730 H ARG A 73 6.666 15.828 34.037 1.00 10.00 H ATOM 731 HE ARG A 73 3.365 13.597 36.176 1.00 10.00 H ATOM 732 HH11 ARG A 73 2.378 14.223 39.418 1.00 10.00 H ATOM 733 HH12 ARG A 73 1.078 13.104 39.380 1.00 10.00 H ATOM 734 HH21 ARG A 73 1.666 12.207 36.025 1.00 10.00 H ATOM 735 HH22 ARG A 73 0.680 11.958 37.390 1.00 10.00 H ATOM 736 N ASN A 74 3.542 13.220 33.895 1.00 29.93 N ATOM 737 CA ASN A 74 2.810 12.505 32.866 1.00 28.49 C ATOM 738 C ASN A 74 1.341 12.766 33.195 1.00 27.44 C ATOM 739 O ASN A 74 0.613 11.876 33.644 1.00 27.97 O ATOM 740 CB ASN A 74 3.196 11.000 32.954 1.00 27.63 C ATOM 741 CG ASN A 74 2.383 10.115 32.021 1.00 28.55 C ATOM 742 OD1 ASN A 74 1.748 10.614 31.094 1.00 26.72 O ATOM 743 ND2 ASN A 74 2.294 8.802 32.170 1.00 27.55 N ATOM 744 H ASN A 74 3.362 13.027 34.821 1.00 10.00 H ATOM 745 HD21 ASN A 74 1.831 8.305 31.465 1.00 10.00 H ATOM 746 HD22 ASN A 74 2.750 8.375 32.928 1.00 10.00 H ATOM 747 N LEU A 75 0.923 14.027 33.144 1.00 25.96 N ATOM 748 CA LEU A 75 -0.463 14.405 33.442 1.00 25.59 C ATOM 749 C LEU A 75 -1.545 13.874 32.474 1.00 25.57 C ATOM 750 O LEU A 75 -2.711 13.688 32.864 1.00 25.73 O ATOM 751 CB LEU A 75 -0.546 15.932 33.521 1.00 25.04 C ATOM 752 CG LEU A 75 0.315 16.587 34.603 1.00 24.39 C ATOM 753 CD1 LEU A 75 0.169 18.056 34.370 1.00 24.93 C ATOM 754 CD2 LEU A 75 -0.053 16.205 36.036 1.00 24.42 C ATOM 755 H LEU A 75 1.576 14.717 32.917 1.00 10.00 H ATOM 756 N CYS A 76 -1.218 13.557 31.207 1.00 23.53 N ATOM 757 CA CYS A 76 -2.185 12.897 30.332 1.00 22.20 C ATOM 758 C CYS A 76 -2.202 11.408 30.505 1.00 22.20 C ATOM 759 O CYS A 76 -3.005 10.723 29.875 1.00 19.77 O ATOM 760 CB CYS A 76 -1.944 13.137 28.867 1.00 21.15 C ATOM 761 SG CYS A 76 -2.301 14.984 28.545 1.00 18.91 S ATOM 762 H CYS A 76 -0.337 13.812 30.857 1.00 10.00 H ATOM 763 N ASN A 77 -1.338 10.955 31.421 1.00 23.64 N ATOM 764 CA ASN A 77 -1.144 9.561 31.827 1.00 26.56 C ATOM 765 C ASN A 77 -1.029 8.546 30.691 1.00 25.10 C ATOM 766 O ASN A 77 -1.725 7.528 30.580 1.00 24.90 O ATOM 767 CB ASN A 77 -2.275 9.174 32.775 1.00 30.47 C ATOM 768 CG ASN A 77 -1.712 8.181 33.791 1.00 35.14 C ATOM 769 OD1 ASN A 77 -1.316 8.581 34.884 1.00 37.85 O ATOM 770 ND2 ASN A 77 -1.568 6.881 33.538 1.00 36.09 N ATOM 771 H ASN A 77 -0.746 11.603 31.848 1.00 10.00 H ATOM 772 HD21 ASN A 77 -1.263 6.347 34.295 1.00 10.00 H ATOM 773 HD22 ASN A 77 -1.784 6.564 32.639 1.00 10.00 H ATOM 774 N ILE A 78 -0.045 8.867 29.864 1.00 24.36 N ATOM 775 CA ILE A 78 0.126 8.183 28.606 1.00 23.67 C ATOM 776 C ILE A 78 1.582 7.997 28.229 1.00 22.83 C ATOM 777 O ILE A 78 2.394 8.854 28.567 1.00 22.40 O ATOM 778 CB ILE A 78 -0.713 9.021 27.554 1.00 25.80 C ATOM 779 CG1 ILE A 78 -0.898 8.077 26.353 1.00 26.96 C ATOM 780 CG2 ILE A 78 -0.097 10.424 27.218 1.00 24.35 C ATOM 781 CD1 ILE A 78 -1.795 8.577 25.216 1.00 29.34 C ATOM 782 H ILE A 78 0.535 9.624 30.079 1.00 10.00 H ATOM 783 N PRO A 79 1.974 6.918 27.550 1.00 21.89 N ATOM 784 CA PRO A 79 3.291 6.895 26.899 1.00 20.89 C ATOM 785 C PRO A 79 3.405 7.939 25.813 1.00 19.49 C ATOM 786 O PRO A 79 2.534 8.036 24.952 1.00 19.00 O ATOM 787 CB PRO A 79 3.458 5.485 26.346 1.00 21.50 C ATOM 788 CG PRO A 79 2.008 4.975 26.220 1.00 22.14 C ATOM 789 CD PRO A 79 1.386 5.571 27.478 1.00 22.02 C ATOM 790 N CYS A 80 4.523 8.669 25.759 1.00 19.21 N ATOM 791 CA CYS A 80 4.728 9.685 24.716 1.00 18.94 C ATOM 792 C CYS A 80 4.704 9.113 23.303 1.00 19.26 C ATOM 793 O CYS A 80 4.186 9.690 22.358 1.00 19.01 O ATOM 794 CB CYS A 80 6.066 10.431 24.959 1.00 18.23 C ATOM 795 SG CYS A 80 6.230 11.501 26.458 1.00 17.74 S ATOM 796 H CYS A 80 5.155 8.576 26.505 1.00 10.00 H ATOM 797 N SER A 81 5.107 7.848 23.159 1.00 19.60 N ATOM 798 CA SER A 81 5.041 7.092 21.891 1.00 20.23 C ATOM 799 C SER A 81 3.580 6.954 21.405 1.00 19.94 C ATOM 800 O SER A 81 3.317 6.962 20.197 1.00 19.50 O ATOM 801 CB SER A 81 5.628 5.668 22.074 1.00 21.40 C ATOM 802 OG SER A 81 4.898 4.918 23.063 1.00 23.19 O ATOM 803 H SER A 81 5.327 7.360 23.974 1.00 10.00 H ATOM 804 HG SER A 81 4.490 4.158 22.619 1.00 10.00 H ATOM 805 N ALA A 82 2.574 6.910 22.300 1.00 20.07 N ATOM 806 CA ALA A 82 1.182 6.869 21.848 1.00 20.71 C ATOM 807 C ALA A 82 0.657 8.162 21.190 1.00 21.72 C ATOM 808 O ALA A 82 -0.297 8.211 20.400 1.00 21.93 O ATOM 809 CB ALA A 82 0.331 6.521 23.028 1.00 22.21 C ATOM 810 H ALA A 82 2.778 6.907 23.259 1.00 10.00 H ATOM 811 N LEU A 83 1.385 9.262 21.411 1.00 20.99 N ATOM 812 CA LEU A 83 1.121 10.513 20.713 1.00 20.90 C ATOM 813 C LEU A 83 1.669 10.572 19.262 1.00 21.32 C ATOM 814 O LEU A 83 1.605 11.584 18.558 1.00 20.85 O ATOM 815 CB LEU A 83 1.713 11.622 21.575 1.00 20.47 C ATOM 816 CG LEU A 83 1.339 11.600 23.068 1.00 20.49 C ATOM 817 CD1 LEU A 83 1.937 12.793 23.775 1.00 20.42 C ATOM 818 CD2 LEU A 83 -0.178 11.553 23.201 1.00 21.11 C ATOM 819 H LEU A 83 2.104 9.229 22.075 1.00 10.00 H ATOM 820 N LEU A 84 2.264 9.468 18.767 1.00 21.51 N ATOM 821 CA LEU A 84 2.848 9.405 17.427 1.00 21.45 C ATOM 822 C LEU A 84 2.107 8.490 16.453 1.00 22.17 C ATOM 823 O LEU A 84 2.405 8.334 15.258 1.00 22.16 O ATOM 824 CB LEU A 84 4.352 8.984 17.587 1.00 21.60 C ATOM 825 CG LEU A 84 5.212 9.858 18.554 1.00 21.25 C ATOM 826 CD1 LEU A 84 6.602 9.261 18.775 1.00 21.82 C ATOM 827 CD2 LEU A 84 5.336 11.252 17.959 1.00 20.82 C ATOM 828 H LEU A 84 2.392 8.722 19.382 1.00 10.00 H ATOM 829 N SER A 85 1.050 7.899 16.993 1.00 22.98 N ATOM 830 CA SER A 85 0.140 7.028 16.249 1.00 23.60 C ATOM 831 C SER A 85 -0.545 7.742 15.097 1.00 24.22 C ATOM 832 O SER A 85 -0.666 8.980 15.141 1.00 23.96 O ATOM 833 CB SER A 85 -0.967 6.506 17.148 1.00 24.65 C ATOM 834 OG SER A 85 -2.072 5.991 16.395 1.00 26.89 O ATOM 835 H SER A 85 0.864 8.102 17.929 1.00 10.00 H ATOM 836 HG SER A 85 -2.810 5.822 17.005 1.00 10.00 H ATOM 837 N SER A 86 -1.044 6.998 14.101 1.00 23.72 N ATOM 838 CA SER A 86 -1.794 7.609 13.006 1.00 24.83 C ATOM 839 C SER A 86 -3.253 8.025 13.329 1.00 24.40 C ATOM 840 O SER A 86 -3.940 8.784 12.622 1.00 25.00 O ATOM 841 CB SER A 86 -1.771 6.643 11.849 1.00 26.41 C ATOM 842 OG SER A 86 -2.513 5.478 12.166 1.00 29.68 O ATOM 843 H SER A 86 -0.982 6.023 14.166 1.00 10.00 H ATOM 844 HG SER A 86 -2.492 4.878 11.414 1.00 10.00 H ATOM 845 N ASP A 87 -3.723 7.451 14.434 1.00 22.93 N ATOM 846 CA ASP A 87 -4.968 7.799 15.099 1.00 22.04 C ATOM 847 C ASP A 87 -4.655 8.901 16.157 1.00 20.25 C ATOM 848 O ASP A 87 -3.995 8.695 17.185 1.00 19.58 O ATOM 849 CB ASP A 87 -5.559 6.557 15.796 1.00 21.89 C ATOM 850 CG ASP A 87 -6.794 6.839 16.667 1.00 24.04 C ATOM 851 OD1 ASP A 87 -7.253 7.981 16.780 1.00 23.24 O ATOM 852 OD2 ASP A 87 -7.326 5.899 17.251 1.00 26.82 O ATOM 853 H ASP A 87 -3.195 6.729 14.824 1.00 10.00 H ATOM 854 N ILE A 88 -5.221 10.097 15.953 1.00 19.19 N ATOM 855 CA ILE A 88 -4.945 11.231 16.827 1.00 17.81 C ATOM 856 C ILE A 88 -5.732 11.304 18.117 1.00 16.65 C ATOM 857 O ILE A 88 -5.573 12.246 18.875 1.00 17.36 O ATOM 858 CB ILE A 88 -5.137 12.579 16.066 1.00 17.80 C ATOM 859 CG1 ILE A 88 -6.624 12.963 15.872 1.00 19.12 C ATOM 860 CG2 ILE A 88 -4.404 12.431 14.734 1.00 17.52 C ATOM 861 CD1 ILE A 88 -6.828 14.442 15.507 1.00 17.49 C ATOM 862 H ILE A 88 -5.834 10.161 15.196 1.00 10.00 H ATOM 863 N THR A 89 -6.569 10.359 18.492 1.00 18.57 N ATOM 864 CA THR A 89 -7.435 10.415 19.687 1.00 18.81 C ATOM 865 C THR A 89 -6.753 10.843 20.968 1.00 19.31 C ATOM 866 O THR A 89 -7.283 11.649 21.740 1.00 20.25 O ATOM 867 CB THR A 89 -8.101 9.023 20.014 1.00 19.29 C ATOM 868 OG1 THR A 89 -8.808 8.708 18.836 1.00 19.36 O ATOM 869 CG2 THR A 89 -9.032 8.990 21.227 1.00 17.73 C ATOM 870 H THR A 89 -6.627 9.547 17.931 1.00 10.00 H ATOM 871 HG1 THR A 89 -9.217 7.834 18.885 1.00 10.00 H ATOM 872 N ALA A 90 -5.581 10.214 21.156 1.00 18.79 N ATOM 873 CA ALA A 90 -4.742 10.412 22.332 1.00 18.67 C ATOM 874 C ALA A 90 -4.083 11.795 22.346 1.00 18.07 C ATOM 875 O ALA A 90 -4.132 12.492 23.374 1.00 18.92 O ATOM 876 CB ALA A 90 -3.674 9.309 22.384 1.00 18.03 C ATOM 877 H ALA A 90 -5.310 9.573 20.464 1.00 10.00 H ATOM 878 N SER A 91 -3.484 12.229 21.243 1.00 17.37 N ATOM 879 CA SER A 91 -3.074 13.648 21.113 1.00 18.05 C ATOM 880 C SER A 91 -4.192 14.662 21.363 1.00 18.26 C ATOM 881 O SER A 91 -4.002 15.600 22.135 1.00 18.86 O ATOM 882 CB SER A 91 -2.506 13.949 19.723 1.00 18.19 C ATOM 883 OG SER A 91 -1.205 13.337 19.669 1.00 19.47 O ATOM 884 H SER A 91 -3.264 11.583 20.533 1.00 10.00 H ATOM 885 HG SER A 91 -1.300 12.455 19.291 1.00 10.00 H ATOM 886 N VAL A 92 -5.402 14.520 20.773 1.00 18.43 N ATOM 887 CA VAL A 92 -6.570 15.362 21.117 1.00 18.13 C ATOM 888 C VAL A 92 -7.022 15.248 22.596 1.00 18.96 C ATOM 889 O VAL A 92 -7.241 16.274 23.258 1.00 18.69 O ATOM 890 CB VAL A 92 -7.783 15.006 20.206 1.00 18.29 C ATOM 891 CG1 VAL A 92 -9.104 15.761 20.577 1.00 17.85 C ATOM 892 CG2 VAL A 92 -7.383 15.391 18.814 1.00 19.38 C ATOM 893 H VAL A 92 -5.485 13.825 20.084 1.00 10.00 H ATOM 894 N ASN A 93 -7.208 14.056 23.208 1.00 18.61 N ATOM 895 CA ASN A 93 -7.556 13.930 24.639 1.00 19.34 C ATOM 896 C ASN A 93 -6.515 14.658 25.499 1.00 18.37 C ATOM 897 O ASN A 93 -6.882 15.246 26.535 1.00 17.80 O ATOM 898 CB ASN A 93 -7.539 12.476 25.285 1.00 21.74 C ATOM 899 CG ASN A 93 -8.380 11.319 24.756 1.00 25.14 C ATOM 900 OD1 ASN A 93 -9.380 11.472 24.074 1.00 28.56 O ATOM 901 ND2 ASN A 93 -8.096 10.055 24.985 1.00 27.23 N ATOM 902 H ASN A 93 -7.141 13.255 22.655 1.00 10.00 H ATOM 903 HD21 ASN A 93 -8.725 9.416 24.608 1.00 10.00 H ATOM 904 HD22 ASN A 93 -7.273 9.807 25.453 1.00 10.00 H ATOM 905 N CYS A 94 -5.225 14.544 25.102 1.00 16.81 N ATOM 906 CA CYS A 94 -4.178 15.244 25.834 1.00 17.96 C ATOM 907 C CYS A 94 -4.178 16.760 25.568 1.00 17.91 C ATOM 908 O CYS A 94 -4.031 17.547 26.503 1.00 18.15 O ATOM 909 CB CYS A 94 -2.768 14.740 25.485 1.00 18.09 C ATOM 910 SG CYS A 94 -1.516 15.296 26.648 1.00 19.74 S ATOM 911 H CYS A 94 -5.017 13.969 24.336 1.00 10.00 H ATOM 912 N ALA A 95 -4.371 17.248 24.341 1.00 18.15 N ATOM 913 CA ALA A 95 -4.474 18.696 24.079 1.00 18.67 C ATOM 914 C ALA A 95 -5.638 19.357 24.816 1.00 18.48 C ATOM 915 O ALA A 95 -5.500 20.477 25.293 1.00 18.58 O ATOM 916 CB ALA A 95 -4.661 18.989 22.584 1.00 18.62 C ATOM 917 H ALA A 95 -4.413 16.617 23.603 1.00 10.00 H ATOM 918 N LYS A 96 -6.762 18.638 24.980 1.00 18.71 N ATOM 919 CA LYS A 96 -7.879 19.137 25.758 1.00 18.15 C ATOM 920 C LYS A 96 -7.491 19.385 27.202 1.00 18.54 C ATOM 921 O LYS A 96 -7.805 20.420 27.788 1.00 17.87 O ATOM 922 CB LYS A 96 -8.982 18.155 25.665 1.00 19.83 C ATOM 923 CG LYS A 96 -9.593 18.284 24.299 1.00 20.96 C ATOM 924 CD LYS A 96 -10.715 17.233 24.276 1.00 23.91 C ATOM 925 CE LYS A 96 -11.570 17.313 23.016 1.00 23.30 C ATOM 926 NZ LYS A 96 -12.581 16.287 23.081 1.00 25.72 N ATOM 927 H LYS A 96 -6.826 17.791 24.491 1.00 10.00 H ATOM 928 HZ1 LYS A 96 -13.176 16.445 23.919 1.00 10.00 H ATOM 929 HZ2 LYS A 96 -13.133 16.331 22.194 1.00 10.00 H ATOM 930 HZ3 LYS A 96 -12.123 15.357 23.128 1.00 10.00 H ATOM 931 N LYS A 97 -6.705 18.495 27.787 1.00 18.70 N ATOM 932 CA LYS A 97 -6.148 18.765 29.115 1.00 19.82 C ATOM 933 C LYS A 97 -5.172 19.984 29.147 1.00 19.54 C ATOM 934 O LYS A 97 -5.263 20.873 30.003 1.00 18.76 O ATOM 935 CB LYS A 97 -5.429 17.487 29.606 1.00 21.33 C ATOM 936 CG LYS A 97 -6.357 16.336 29.973 1.00 22.67 C ATOM 937 CD LYS A 97 -5.494 15.167 30.472 1.00 24.88 C ATOM 938 CE LYS A 97 -6.304 14.150 31.201 1.00 22.94 C ATOM 939 NZ LYS A 97 -7.121 13.531 30.193 1.00 26.14 N ATOM 940 H LYS A 97 -6.477 17.672 27.303 1.00 10.00 H ATOM 941 HZ1 LYS A 97 -6.544 13.103 29.435 1.00 10.00 H ATOM 942 HZ2 LYS A 97 -7.714 12.786 30.603 1.00 10.00 H ATOM 943 HZ3 LYS A 97 -7.758 14.217 29.737 1.00 10.00 H ATOM 944 N ILE A 98 -4.243 20.077 28.182 1.00 18.97 N ATOM 945 CA ILE A 98 -3.335 21.208 28.085 1.00 19.35 C ATOM 946 C ILE A 98 -4.073 22.566 27.894 1.00 20.33 C ATOM 947 O ILE A 98 -3.849 23.477 28.699 1.00 19.34 O ATOM 948 CB ILE A 98 -2.332 20.923 26.917 1.00 18.15 C ATOM 949 CG1 ILE A 98 -1.623 19.610 27.144 1.00 16.07 C ATOM 950 CG2 ILE A 98 -1.290 22.066 26.814 1.00 18.62 C ATOM 951 CD1 ILE A 98 -0.671 19.360 25.972 1.00 14.27 C ATOM 952 H ILE A 98 -4.164 19.319 27.565 1.00 10.00 H ATOM 953 N VAL A 99 -4.986 22.791 26.913 1.00 21.83 N ATOM 954 CA VAL A 99 -5.766 24.057 26.766 1.00 22.65 C ATOM 955 C VAL A 99 -6.623 24.444 27.957 1.00 23.37 C ATOM 956 O VAL A 99 -7.165 25.557 28.109 1.00 22.80 O ATOM 957 CB VAL A 99 -6.901 24.189 25.692 1.00 24.89 C ATOM 958 CG1 VAL A 99 -6.355 25.084 24.604 1.00 24.78 C ATOM 959 CG2 VAL A 99 -7.486 22.846 25.280 1.00 23.07 C ATOM 960 H VAL A 99 -5.104 22.074 26.260 1.00 10.00 H ATOM 961 N SER A 100 -6.903 23.438 28.756 1.00 23.37 N ATOM 962 CA SER A 100 -7.667 23.722 29.938 1.00 25.77 C ATOM 963 C SER A 100 -6.852 24.105 31.147 1.00 27.03 C ATOM 964 O SER A 100 -7.382 24.789 32.024 1.00 28.22 O ATOM 965 CB SER A 100 -8.538 22.538 30.223 1.00 26.15 C ATOM 966 OG SER A 100 -9.326 22.357 29.036 1.00 28.31 O ATOM 967 H SER A 100 -6.616 22.531 28.525 1.00 10.00 H ATOM 968 HG SER A 100 -8.787 21.838 28.421 1.00 10.00 H ATOM 969 N ASP A 101 -5.563 23.799 31.145 1.00 28.10 N ATOM 970 CA ASP A 101 -4.601 24.142 32.179 1.00 29.13 C ATOM 971 C ASP A 101 -4.552 25.568 32.709 1.00 28.20 C ATOM 972 O ASP A 101 -4.039 25.848 33.777 1.00 27.70 O ATOM 973 CB ASP A 101 -3.265 23.793 31.639 1.00 32.27 C ATOM 974 CG ASP A 101 -2.155 23.839 32.664 1.00 35.86 C ATOM 975 OD1 ASP A 101 -2.334 23.298 33.779 1.00 36.84 O ATOM 976 OD2 ASP A 101 -1.129 24.433 32.311 1.00 37.34 O ATOM 977 H ASP A 101 -5.210 23.258 30.407 1.00 10.00 H ATOM 978 N GLY A 102 -5.102 26.545 32.010 1.00 28.94 N ATOM 979 CA GLY A 102 -5.122 27.954 32.477 1.00 29.69 C ATOM 980 C GLY A 102 -4.682 29.028 31.461 1.00 29.24 C ATOM 981 O GLY A 102 -5.226 30.150 31.463 1.00 29.23 O ATOM 982 H GLY A 102 -5.534 26.292 31.171 1.00 10.00 H ATOM 983 N ASN A 103 -3.678 28.743 30.606 1.00 28.32 N ATOM 984 CA ASN A 103 -3.260 29.718 29.612 1.00 27.63 C ATOM 985 C ASN A 103 -3.760 29.534 28.193 1.00 25.37 C ATOM 986 O ASN A 103 -3.268 30.132 27.232 1.00 25.21 O ATOM 987 CB ASN A 103 -1.778 29.769 29.598 1.00 30.21 C ATOM 988 CG ASN A 103 -1.238 30.508 30.809 1.00 33.95 C ATOM 989 OD1 ASN A 103 -0.078 30.896 30.824 1.00 37.73 O ATOM 990 ND2 ASN A 103 -1.890 30.860 31.902 1.00 35.08 N ATOM 991 H ASN A 103 -3.279 27.838 30.621 1.00 10.00 H ATOM 992 HD21 ASN A 103 -1.277 31.290 32.534 1.00 10.00 H ATOM 993 HD22 ASN A 103 -2.824 30.640 32.029 1.00 10.00 H ATOM 994 N GLY A 104 -4.804 28.726 28.077 1.00 23.09 N ATOM 995 CA GLY A 104 -5.429 28.395 26.789 1.00 20.44 C ATOM 996 C GLY A 104 -4.463 27.870 25.739 1.00 18.41 C ATOM 997 O GLY A 104 -3.555 27.104 26.074 1.00 16.88 O ATOM 998 H GLY A 104 -5.116 28.279 28.887 1.00 10.00 H ATOM 999 N MET A 105 -4.537 28.324 24.489 1.00 16.65 N ATOM 1000 CA MET A 105 -3.600 27.814 23.492 1.00 16.39 C ATOM 1001 C MET A 105 -2.219 28.404 23.500 1.00 16.33 C ATOM 1002 O MET A 105 -1.363 28.109 22.666 1.00 16.16 O ATOM 1003 CB MET A 105 -4.165 27.973 22.088 1.00 17.10 C ATOM 1004 CG MET A 105 -5.194 26.876 21.841 1.00 16.26 C ATOM 1005 SD MET A 105 -5.737 26.763 20.140 1.00 17.00 S ATOM 1006 CE MET A 105 -4.494 25.897 19.236 1.00 16.89 C ATOM 1007 H MET A 105 -5.202 29.014 24.287 1.00 10.00 H ATOM 1008 N ASN A 106 -2.010 29.280 24.471 1.00 16.56 N ATOM 1009 CA ASN A 106 -0.702 29.894 24.635 1.00 18.82 C ATOM 1010 C ASN A 106 0.290 28.825 25.036 1.00 19.72 C ATOM 1011 O ASN A 106 1.484 29.009 24.759 1.00 22.17 O ATOM 1012 CB ASN A 106 -0.701 30.976 25.716 1.00 17.96 C ATOM 1013 CG ASN A 106 -1.498 32.192 25.300 1.00 17.12 C ATOM 1014 OD1 ASN A 106 -2.503 32.587 25.890 1.00 17.04 O ATOM 1015 ND2 ASN A 106 -1.122 32.824 24.196 1.00 14.97 N ATOM 1016 H ASN A 106 -2.729 29.515 25.091 1.00 10.00 H ATOM 1017 HD21 ASN A 106 -1.823 33.403 23.877 1.00 10.00 H ATOM 1018 HD22 ASN A 106 -0.292 32.565 23.753 1.00 10.00 H ATOM 1019 N ALA A 107 -0.165 27.699 25.644 1.00 19.67 N ATOM 1020 CA ALA A 107 0.723 26.553 25.877 1.00 19.51 C ATOM 1021 C ALA A 107 1.511 26.101 24.637 1.00 19.91 C ATOM 1022 O ALA A 107 2.647 25.614 24.725 1.00 20.82 O ATOM 1023 CB ALA A 107 -0.056 25.364 26.335 1.00 19.00 C ATOM 1024 H ALA A 107 -1.079 27.709 26.000 1.00 10.00 H ATOM 1025 N TRP A 108 0.960 26.315 23.441 1.00 19.91 N ATOM 1026 CA TRP A 108 1.677 26.018 22.208 1.00 20.81 C ATOM 1027 C TRP A 108 2.380 27.296 21.723 1.00 22.13 C ATOM 1028 O TRP A 108 1.820 28.273 21.219 1.00 22.10 O ATOM 1029 CB TRP A 108 0.714 25.474 21.102 1.00 19.18 C ATOM 1030 CG TRP A 108 0.206 24.055 21.425 1.00 18.21 C ATOM 1031 CD1 TRP A 108 0.860 22.915 21.011 1.00 16.59 C ATOM 1032 CD2 TRP A 108 -0.910 23.781 22.193 1.00 16.94 C ATOM 1033 NE1 TRP A 108 0.172 21.924 21.529 1.00 15.60 N ATOM 1034 CE2 TRP A 108 -0.899 22.381 22.236 1.00 17.47 C ATOM 1035 CE3 TRP A 108 -1.891 24.552 22.826 1.00 16.23 C ATOM 1036 CZ2 TRP A 108 -1.927 21.753 22.955 1.00 17.01 C ATOM 1037 CZ3 TRP A 108 -2.896 23.926 23.529 1.00 16.11 C ATOM 1038 CH2 TRP A 108 -2.905 22.537 23.584 1.00 18.12 C ATOM 1039 H TRP A 108 0.082 26.742 23.393 1.00 10.00 H ATOM 1040 HE1 TRP A 108 0.463 20.993 21.405 1.00 10.00 H ATOM 1041 N VAL A 109 3.681 27.299 21.948 1.00 22.39 N ATOM 1042 CA VAL A 109 4.572 28.382 21.577 1.00 22.80 C ATOM 1043 C VAL A 109 4.297 28.894 20.176 1.00 21.69 C ATOM 1044 O VAL A 109 4.100 30.104 19.979 1.00 22.34 O ATOM 1045 CB VAL A 109 6.065 27.852 21.705 1.00 23.91 C ATOM 1046 CG1 VAL A 109 7.058 28.899 21.245 1.00 23.35 C ATOM 1047 CG2 VAL A 109 6.363 27.496 23.170 1.00 24.24 C ATOM 1048 H VAL A 109 4.021 26.501 22.403 1.00 10.00 H ATOM 1049 N ALA A 110 4.222 27.896 19.282 1.00 19.87 N ATOM 1050 CA ALA A 110 4.069 28.150 17.879 1.00 18.52 C ATOM 1051 C ALA A 110 2.741 28.738 17.506 1.00 18.60 C ATOM 1052 O ALA A 110 2.668 29.514 16.549 1.00 19.24 O ATOM 1053 CB ALA A 110 4.251 26.879 17.110 1.00 18.56 C ATOM 1054 H ALA A 110 4.329 26.958 19.575 1.00 10.00 H ATOM 1055 N TRP A 111 1.701 28.411 18.297 1.00 18.07 N ATOM 1056 CA TRP A 111 0.376 28.999 18.105 1.00 18.34 C ATOM 1057 C TRP A 111 0.431 30.466 18.507 1.00 18.50 C ATOM 1058 O TRP A 111 0.079 31.327 17.711 1.00 18.17 O ATOM 1059 CB TRP A 111 -0.756 28.334 18.941 1.00 16.04 C ATOM 1060 CG TRP A 111 -2.120 29.052 18.785 1.00 16.66 C ATOM 1061 CD1 TRP A 111 -3.015 28.786 17.772 1.00 15.63 C ATOM 1062 CD2 TRP A 111 -2.602 29.999 19.671 1.00 16.34 C ATOM 1063 NE1 TRP A 111 -4.046 29.556 18.029 1.00 14.53 N ATOM 1064 CE2 TRP A 111 -3.857 30.283 19.148 1.00 15.06 C ATOM 1065 CE3 TRP A 111 -2.135 30.614 20.841 1.00 15.43 C ATOM 1066 CZ2 TRP A 111 -4.670 31.200 19.818 1.00 14.92 C ATOM 1067 CZ3 TRP A 111 -2.952 31.525 21.504 1.00 16.70 C ATOM 1068 CH2 TRP A 111 -4.213 31.803 20.978 1.00 14.36 C ATOM 1069 H TRP A 111 1.866 27.769 19.025 1.00 10.00 H ATOM 1070 HE1 TRP A 111 -4.845 29.636 17.453 1.00 10.00 H ATOM 1071 N ARG A 112 0.923 30.742 19.702 1.00 19.44 N ATOM 1072 CA ARG A 112 1.082 32.104 20.150 1.00 22.10 C ATOM 1073 C ARG A 112 1.874 32.929 19.128 1.00 23.03 C ATOM 1074 O ARG A 112 1.367 33.953 18.671 1.00 23.72 O ATOM 1075 CB ARG A 112 1.789 32.082 21.505 1.00 24.14 C ATOM 1076 CG ARG A 112 1.738 33.435 22.236 1.00 27.74 C ATOM 1077 CD ARG A 112 2.396 33.352 23.625 1.00 29.25 C ATOM 1078 NE ARG A 112 3.686 32.661 23.630 1.00 31.42 N ATOM 1079 CZ ARG A 112 4.854 33.243 23.372 1.00 31.25 C ATOM 1080 NH1 ARG A 112 4.977 34.515 23.106 1.00 30.80 N ATOM 1081 NH2 ARG A 112 5.919 32.507 23.375 1.00 32.11 N ATOM 1082 H ARG A 112 1.189 29.987 20.274 1.00 10.00 H ATOM 1083 HE ARG A 112 3.666 31.705 23.841 1.00 10.00 H ATOM 1084 HH11 ARG A 112 4.160 35.080 23.113 1.00 10.00 H ATOM 1085 HH12 ARG A 112 5.878 34.917 22.995 1.00 10.00 H ATOM 1086 HH21 ARG A 112 5.815 31.535 23.562 1.00 10.00 H ATOM 1087 HH22 ARG A 112 6.805 32.865 23.072 1.00 10.00 H ATOM 1088 N ASN A 113 3.069 32.503 18.670 1.00 22.61 N ATOM 1089 CA ASN A 113 3.846 33.292 17.705 1.00 21.78 C ATOM 1090 C ASN A 113 3.403 33.281 16.238 1.00 21.93 C ATOM 1091 O ASN A 113 3.615 34.255 15.483 1.00 22.92 O ATOM 1092 CB ASN A 113 5.303 32.857 17.795 1.00 21.89 C ATOM 1093 CG ASN A 113 5.885 33.205 19.161 1.00 22.94 C ATOM 1094 OD1 ASN A 113 6.714 32.499 19.731 1.00 27.12 O ATOM 1095 ND2 ASN A 113 5.583 34.253 19.887 1.00 21.87 N ATOM 1096 H ASN A 113 3.419 31.658 19.025 1.00 10.00 H ATOM 1097 HD21 ASN A 113 6.068 34.238 20.726 1.00 10.00 H ATOM 1098 HD22 ASN A 113 5.004 34.947 19.530 1.00 10.00 H ATOM 1099 N ARG A 114 2.721 32.234 15.744 1.00 20.42 N ATOM 1100 CA ARG A 114 2.394 32.201 14.321 1.00 18.83 C ATOM 1101 C ARG A 114 0.926 32.104 13.905 1.00 17.29 C ATOM 1102 O ARG A 114 0.548 32.329 12.750 1.00 15.47 O ATOM 1103 CB ARG A 114 3.246 31.064 13.738 1.00 19.06 C ATOM 1104 CG ARG A 114 4.776 31.214 13.918 1.00 17.62 C ATOM 1105 CD ARG A 114 5.381 29.925 13.491 1.00 17.25 C ATOM 1106 NE ARG A 114 5.508 29.933 12.045 1.00 18.05 N ATOM 1107 CZ ARG A 114 6.199 29.026 11.374 1.00 16.82 C ATOM 1108 NH1 ARG A 114 6.797 28.010 11.945 1.00 15.45 N ATOM 1109 NH2 ARG A 114 6.277 29.130 10.090 1.00 16.53 N ATOM 1110 H ARG A 114 2.552 31.459 16.321 1.00 10.00 H ATOM 1111 HE ARG A 114 5.066 30.659 11.550 1.00 10.00 H ATOM 1112 HH11 ARG A 114 6.734 27.919 12.932 1.00 10.00 H ATOM 1113 HH12 ARG A 114 7.352 27.357 11.431 1.00 10.00 H ATOM 1114 HH21 ARG A 114 5.838 29.900 9.640 1.00 10.00 H ATOM 1115 HH22 ARG A 114 6.803 28.462 9.557 1.00 10.00 H ATOM 1116 N CYS A 115 0.118 31.859 14.927 1.00 17.60 N ATOM 1117 CA CYS A 115 -1.327 31.739 14.720 1.00 18.70 C ATOM 1118 C CYS A 115 -2.245 32.720 15.435 1.00 19.45 C ATOM 1119 O CYS A 115 -3.213 33.223 14.846 1.00 19.88 O ATOM 1120 CB CYS A 115 -1.826 30.367 15.116 1.00 17.83 C ATOM 1121 SG CYS A 115 -1.112 29.027 14.226 1.00 17.90 S ATOM 1122 H CYS A 115 0.510 31.694 15.809 1.00 10.00 H ATOM 1123 N LYS A 116 -1.979 32.979 16.719 1.00 20.17 N ATOM 1124 CA LYS A 116 -2.776 33.874 17.547 1.00 21.91 C ATOM 1125 C LYS A 116 -2.963 35.210 16.812 1.00 23.09 C ATOM 1126 O LYS A 116 -2.080 35.682 16.082 1.00 24.89 O ATOM 1127 CB LYS A 116 -2.034 34.029 18.890 1.00 21.38 C ATOM 1128 CG LYS A 116 -2.680 34.856 19.981 1.00 21.38 C ATOM 1129 CD LYS A 116 -1.809 34.950 21.239 1.00 19.73 C ATOM 1130 CE LYS A 116 -2.668 35.679 22.278 1.00 20.13 C ATOM 1131 NZ LYS A 116 -2.010 35.881 23.568 1.00 20.38 N ATOM 1132 H LYS A 116 -1.205 32.543 17.117 1.00 10.00 H ATOM 1133 HZ1 LYS A 116 -1.766 34.978 24.009 1.00 10.00 H ATOM 1134 HZ2 LYS A 116 -1.158 36.469 23.484 1.00 10.00 H ATOM 1135 HZ3 LYS A 116 -2.693 36.331 24.212 1.00 10.00 H ATOM 1136 N GLY A 117 -4.163 35.750 16.766 1.00 24.54 N ATOM 1137 CA GLY A 117 -4.353 37.036 16.107 1.00 24.48 C ATOM 1138 C GLY A 117 -4.498 36.972 14.601 1.00 24.71 C ATOM 1139 O GLY A 117 -4.897 37.974 14.002 1.00 25.24 O ATOM 1140 H GLY A 117 -4.920 35.259 17.135 1.00 10.00 H ATOM 1141 N THR A 118 -4.225 35.833 13.946 1.00 24.17 N ATOM 1142 CA THR A 118 -4.344 35.751 12.489 1.00 23.35 C ATOM 1143 C THR A 118 -5.686 35.215 11.951 1.00 23.22 C ATOM 1144 O THR A 118 -6.585 34.835 12.715 1.00 23.03 O ATOM 1145 CB THR A 118 -3.188 34.892 11.911 1.00 22.61 C ATOM 1146 OG1 THR A 118 -3.492 33.512 12.154 1.00 22.30 O ATOM 1147 CG2 THR A 118 -1.832 35.295 12.510 1.00 23.28 C ATOM 1148 H THR A 118 -3.942 35.051 14.467 1.00 10.00 H ATOM 1149 HG1 THR A 118 -3.191 33.233 13.023 1.00 10.00 H ATOM 1150 N ASP A 119 -5.931 35.252 10.644 1.00 23.89 N ATOM 1151 CA ASP A 119 -7.132 34.705 10.023 1.00 24.73 C ATOM 1152 C ASP A 119 -7.034 33.165 10.103 1.00 25.52 C ATOM 1153 O ASP A 119 -6.740 32.479 9.116 1.00 26.49 O ATOM 1154 CB ASP A 119 -7.140 35.240 8.589 1.00 25.06 C ATOM 1155 CG ASP A 119 -8.250 34.805 7.648 1.00 25.06 C ATOM 1156 OD1 ASP A 119 -9.388 34.653 8.069 1.00 28.62 O ATOM 1157 OD2 ASP A 119 -7.991 34.628 6.452 1.00 27.62 O ATOM 1158 H ASP A 119 -5.260 35.641 10.054 1.00 10.00 H ATOM 1159 N VAL A 120 -7.250 32.535 11.270 1.00 25.19 N ATOM 1160 CA VAL A 120 -7.069 31.089 11.397 1.00 25.23 C ATOM 1161 C VAL A 120 -8.186 30.324 10.701 1.00 26.45 C ATOM 1162 O VAL A 120 -8.069 29.122 10.455 1.00 27.70 O ATOM 1163 CB VAL A 120 -6.981 30.661 12.881 1.00 24.12 C ATOM 1164 CG1 VAL A 120 -5.867 31.467 13.531 1.00 24.06 C ATOM 1165 CG2 VAL A 120 -8.286 30.916 13.652 1.00 26.31 C ATOM 1166 H VAL A 120 -7.518 33.098 12.026 1.00 10.00 H ATOM 1167 N GLN A 121 -9.309 30.933 10.310 1.00 25.94 N ATOM 1168 CA GLN A 121 -10.252 30.166 9.513 1.00 25.88 C ATOM 1169 C GLN A 121 -9.802 29.867 8.075 1.00 25.13 C ATOM 1170 O GLN A 121 -10.292 28.897 7.467 1.00 23.57 O ATOM 1171 CB GLN A 121 -11.560 30.909 9.587 1.00 27.52 C ATOM 1172 CG GLN A 121 -12.414 30.151 10.667 1.00 30.02 C ATOM 1173 CD GLN A 121 -11.779 29.785 12.031 1.00 28.94 C ATOM 1174 OE1 GLN A 121 -11.459 30.638 12.850 1.00 31.30 O ATOM 1175 NE2 GLN A 121 -11.575 28.564 12.455 1.00 21.93 N ATOM 1176 H GLN A 121 -9.499 31.852 10.615 1.00 10.00 H ATOM 1177 HE21 GLN A 121 -11.136 28.542 13.328 1.00 10.00 H ATOM 1178 HE22 GLN A 121 -11.865 27.824 11.898 1.00 10.00 H ATOM 1179 N ALA A 122 -8.755 30.606 7.575 1.00 24.05 N ATOM 1180 CA ALA A 122 -8.085 30.309 6.301 1.00 22.80 C ATOM 1181 C ALA A 122 -7.632 28.866 6.226 1.00 22.62 C ATOM 1182 O ALA A 122 -7.719 28.213 5.177 1.00 23.16 O ATOM 1183 CB ALA A 122 -6.803 31.069 6.059 1.00 22.04 C ATOM 1184 H ALA A 122 -8.465 31.398 8.087 1.00 10.00 H ATOM 1185 N TRP A 123 -7.244 28.345 7.382 1.00 21.65 N ATOM 1186 CA TRP A 123 -6.773 26.954 7.477 1.00 22.94 C ATOM 1187 C TRP A 123 -7.852 25.909 7.281 1.00 22.30 C ATOM 1188 O TRP A 123 -7.544 24.777 6.918 1.00 21.68 O ATOM 1189 CB TRP A 123 -6.091 26.713 8.832 1.00 22.10 C ATOM 1190 CG TRP A 123 -4.748 27.417 8.894 1.00 22.91 C ATOM 1191 CD1 TRP A 123 -4.571 28.614 9.556 1.00 22.43 C ATOM 1192 CD2 TRP A 123 -3.618 26.976 8.262 1.00 22.35 C ATOM 1193 NE1 TRP A 123 -3.328 28.935 9.334 1.00 21.08 N ATOM 1194 CE2 TRP A 123 -2.728 27.999 8.566 1.00 22.40 C ATOM 1195 CE3 TRP A 123 -3.291 25.867 7.492 1.00 22.58 C ATOM 1196 CZ2 TRP A 123 -1.443 27.916 8.066 1.00 23.41 C ATOM 1197 CZ3 TRP A 123 -2.021 25.785 6.994 1.00 21.62 C ATOM 1198 CH2 TRP A 123 -1.121 26.807 7.288 1.00 22.23 C ATOM 1199 H TRP A 123 -7.239 28.916 8.180 1.00 10.00 H ATOM 1200 HE1 TRP A 123 -2.885 29.714 9.738 1.00 10.00 H ATOM 1201 N ILE A 124 -9.142 26.230 7.503 1.00 23.73 N ATOM 1202 CA ILE A 124 -10.192 25.263 7.112 1.00 24.09 C ATOM 1203 C ILE A 124 -10.915 25.655 5.803 1.00 25.31 C ATOM 1204 O ILE A 124 -11.810 24.931 5.335 1.00 25.20 O ATOM 1205 CB ILE A 124 -11.249 25.014 8.261 1.00 23.28 C ATOM 1206 CG1 ILE A 124 -11.733 26.299 8.882 1.00 23.62 C ATOM 1207 CG2 ILE A 124 -10.615 24.196 9.385 1.00 20.67 C ATOM 1208 CD1 ILE A 124 -12.983 26.075 9.765 1.00 22.18 C ATOM 1209 H ILE A 124 -9.360 27.105 7.886 1.00 10.00 H ATOM 1210 N ARG A 125 -10.448 26.699 5.069 1.00 25.80 N ATOM 1211 CA ARG A 125 -11.035 27.031 3.766 1.00 27.67 C ATOM 1212 C ARG A 125 -11.057 25.877 2.721 1.00 27.90 C ATOM 1213 O ARG A 125 -10.138 25.064 2.488 1.00 26.77 O ATOM 1214 CB ARG A 125 -10.325 28.302 3.124 1.00 30.22 C ATOM 1215 CG ARG A 125 -10.748 29.676 3.774 1.00 35.35 C ATOM 1216 CD ARG A 125 -10.538 31.171 3.212 1.00 38.04 C ATOM 1217 NE ARG A 125 -9.203 31.822 3.287 1.00 39.95 N ATOM 1218 CZ ARG A 125 -8.901 32.982 3.903 1.00 39.44 C ATOM 1219 NH1 ARG A 125 -9.749 33.715 4.561 1.00 40.25 N ATOM 1220 NH2 ARG A 125 -7.685 33.447 3.891 1.00 39.37 N ATOM 1221 H ARG A 125 -9.735 27.254 5.449 1.00 10.00 H ATOM 1222 HE ARG A 125 -8.467 31.334 2.866 1.00 10.00 H ATOM 1223 HH11 ARG A 125 -10.687 33.415 4.669 1.00 10.00 H ATOM 1224 HH12 ARG A 125 -9.405 34.478 5.134 1.00 10.00 H ATOM 1225 HH21 ARG A 125 -6.936 32.924 3.502 1.00 10.00 H ATOM 1226 HH22 ARG A 125 -7.504 34.239 4.491 1.00 10.00 H ATOM 1227 N GLY A 126 -12.263 25.681 2.185 1.00 28.21 N ATOM 1228 CA GLY A 126 -12.542 24.695 1.158 1.00 28.03 C ATOM 1229 C GLY A 126 -12.685 23.293 1.694 1.00 28.71 C ATOM 1230 O GLY A 126 -12.971 22.356 0.955 1.00 28.88 O ATOM 1231 H GLY A 126 -13.005 26.249 2.502 1.00 10.00 H ATOM 1232 N CYS A 127 -12.424 23.122 2.982 1.00 29.48 N ATOM 1233 CA CYS A 127 -12.602 21.832 3.614 1.00 30.47 C ATOM 1234 C CYS A 127 -14.079 21.438 3.670 1.00 32.70 C ATOM 1235 O CYS A 127 -14.941 22.239 4.092 1.00 31.21 O ATOM 1236 CB CYS A 127 -11.988 21.891 5.012 1.00 29.17 C ATOM 1237 SG CYS A 127 -10.188 22.107 4.859 1.00 25.96 S ATOM 1238 H CYS A 127 -12.065 23.868 3.501 1.00 10.00 H ATOM 1239 N ARG A 128 -14.323 20.186 3.221 1.00 34.89 N ATOM 1240 CA ARG A 128 -15.700 19.756 3.100 1.00 37.38 C ATOM 1241 C ARG A 128 -16.572 19.824 4.316 1.00 39.07 C ATOM 1242 O ARG A 128 -16.289 19.408 5.446 1.00 38.83 O ATOM 1243 CB ARG A 128 -15.816 18.349 2.572 1.00 37.87 C ATOM 1244 CG ARG A 128 -16.427 18.439 1.163 1.00 38.38 C ATOM 1245 CD ARG A 128 -16.039 17.352 0.114 1.00 39.44 C ATOM 1246 NE ARG A 128 -14.605 17.263 -0.247 1.00 39.47 N ATOM 1247 CZ ARG A 128 -14.141 16.739 -1.369 1.00 38.78 C ATOM 1248 NH1 ARG A 128 -14.921 16.221 -2.275 1.00 38.86 N ATOM 1249 NH2 ARG A 128 -12.857 16.747 -1.596 1.00 39.21 N ATOM 1250 H ARG A 128 -13.579 19.608 2.948 1.00 10.00 H ATOM 1251 HE ARG A 128 -13.967 17.644 0.392 1.00 10.00 H ATOM 1252 HH11 ARG A 128 -15.901 16.284 -2.091 1.00 10.00 H ATOM 1253 HH12 ARG A 128 -14.564 15.880 -3.133 1.00 10.00 H ATOM 1254 HH21 ARG A 128 -12.281 17.158 -0.894 1.00 10.00 H ATOM 1255 HH22 ARG A 128 -12.458 16.401 -2.438 1.00 10.00 H ATOM 1256 N LEU A 129 -17.595 20.578 3.965 1.00 41.35 N ATOM 1257 CA LEU A 129 -18.714 20.835 4.823 1.00 42.49 C ATOM 1258 C LEU A 129 -19.995 20.664 3.941 1.00 43.29 C ATOM 1259 O LEU A 129 -20.044 19.760 3.098 1.00 42.99 O ATOM 1260 CB LEU A 129 -18.430 22.262 5.396 1.00 41.93 C ATOM 1261 CG LEU A 129 -19.002 22.635 6.781 1.00 42.92 C ATOM 1262 CD1 LEU A 129 -19.052 21.441 7.742 1.00 42.53 C ATOM 1263 CD2 LEU A 129 -18.130 23.728 7.360 1.00 43.05 C ATOM 1264 OXT LEU A 129 -20.970 21.403 4.120 1.00 45.57 O ATOM 1265 H LEU A 129 -17.706 20.849 3.035 1.00 10.00 H TER 1266 LEU A 129 HETATM 1267 O HOH A 130 -6.727 16.585 3.146 1.00 17.22 O HETATM 1268 H1 HOH A 130 -6.663 17.471 2.755 1.00 10.00 H HETATM 1269 H2 HOH A 130 -7.364 16.140 2.567 1.00 10.00 H HETATM 1270 O HOH A 131 4.741 22.662 21.702 1.00 30.08 O HETATM 1271 H1 HOH A 131 4.544 21.720 21.764 1.00 10.00 H HETATM 1272 H2 HOH A 131 5.419 22.652 21.013 1.00 10.00 H HETATM 1273 O HOH A 132 -11.281 9.186 23.783 1.00 46.52 O HETATM 1274 H1 HOH A 132 -10.666 8.425 23.819 1.00 10.00 H HETATM 1275 H2 HOH A 132 -10.684 9.915 23.549 1.00 10.00 H HETATM 1276 O HOH A 133 -14.440 27.423 3.101 1.00 46.41 O HETATM 1277 H1 HOH A 133 -14.962 27.594 2.294 1.00 10.00 H HETATM 1278 H2 HOH A 133 -15.162 27.120 3.663 1.00 10.00 H HETATM 1279 O HOH A 134 1.137 9.778 5.441 1.00 23.35 O HETATM 1280 H1 HOH A 134 0.448 9.768 4.768 1.00 10.00 H HETATM 1281 H2 HOH A 134 1.718 9.058 5.161 1.00 10.00 H HETATM 1282 O HOH A 135 -0.998 -2.805 22.697 1.00 59.38 O HETATM 1283 H1 HOH A 135 -1.526 -3.436 22.202 1.00 10.00 H HETATM 1284 H2 HOH A 135 -0.345 -2.505 22.060 1.00 10.00 H HETATM 1285 O HOH A 136 -11.057 7.220 19.295 1.00 63.16 O HETATM 1286 H1 HOH A 136 -11.650 7.240 20.049 1.00 10.00 H HETATM 1287 H2 HOH A 136 -10.620 6.343 19.401 1.00 10.00 H HETATM 1288 O HOH A 137 -9.254 26.077 -4.307 1.00 35.31 O HETATM 1289 H1 HOH A 137 -8.487 26.300 -4.865 1.00 10.00 H HETATM 1290 H2 HOH A 137 -8.797 25.385 -3.795 1.00 10.00 H HETATM 1291 O HOH A 138 6.032 15.776 4.338 1.00 37.71 O HETATM 1292 H1 HOH A 138 6.591 15.412 5.039 1.00 10.00 H HETATM 1293 H2 HOH A 138 5.947 16.698 4.589 1.00 10.00 H HETATM 1294 O HOH A 139 1.559 19.268 0.918 1.00 33.27 O HETATM 1295 H1 HOH A 139 1.574 18.466 1.447 1.00 10.00 H HETATM 1296 H2 HOH A 139 1.288 18.951 0.053 1.00 10.00 H HETATM 1297 O HOH A 140 -10.605 12.231 21.601 1.00 41.50 O HETATM 1298 H1 HOH A 140 -9.847 11.919 22.124 1.00 10.00 H HETATM 1299 H2 HOH A 140 -10.947 12.909 22.177 1.00 10.00 H HETATM 1300 O HOH A 141 -9.554 15.674 38.736 1.00 37.70 O HETATM 1301 H1 HOH A 141 -9.881 16.557 38.530 1.00 10.00 H HETATM 1302 H2 HOH A 141 -10.369 15.181 38.881 1.00 10.00 H HETATM 1303 O HOH A 142 1.685 6.236 31.019 1.00 17.42 O HETATM 1304 H1 HOH A 142 0.775 5.936 30.929 1.00 10.00 H HETATM 1305 H2 HOH A 142 2.027 5.702 31.742 1.00 10.00 H HETATM 1306 O HOH A 143 13.015 23.803 43.445 1.00 36.58 O HETATM 1307 H1 HOH A 143 12.354 23.401 44.017 1.00 10.00 H HETATM 1308 H2 HOH A 143 13.628 23.033 43.405 1.00 10.00 H HETATM 1309 O HOH A 144 -2.235 6.314 20.964 1.00 20.56 O HETATM 1310 H1 HOH A 144 -1.813 7.164 21.080 1.00 10.00 H HETATM 1311 H2 HOH A 144 -2.402 6.024 21.886 1.00 10.00 H HETATM 1312 O HOH A 145 -3.975 11.257 25.769 1.00 17.73 O HETATM 1313 H1 HOH A 145 -3.691 11.960 25.174 1.00 10.00 H HETATM 1314 H2 HOH A 145 -4.301 11.749 26.540 1.00 10.00 H HETATM 1315 O HOH A 146 -1.465 5.705 8.217 1.00 37.59 O HETATM 1316 H1 HOH A 146 -2.352 5.552 7.870 1.00 10.00 H HETATM 1317 H2 HOH A 146 -1.087 4.819 8.201 1.00 10.00 H HETATM 1318 O HOH A 147 -6.835 10.303 31.239 1.00 31.86 O HETATM 1319 H1 HOH A 147 -6.263 11.052 31.427 1.00 10.00 H HETATM 1320 H2 HOH A 147 -6.187 9.588 31.168 1.00 10.00 H HETATM 1321 O HOH A 148 -5.605 8.770 25.517 1.00 24.71 O HETATM 1322 H1 HOH A 148 -4.965 9.504 25.445 1.00 10.00 H HETATM 1323 H2 HOH A 148 -5.194 8.227 26.194 1.00 10.00 H HETATM 1324 O HOH A 149 -11.253 7.038 16.578 1.00 56.18 O HETATM 1325 H1 HOH A 149 -10.838 6.193 16.369 1.00 10.00 H HETATM 1326 H2 HOH A 149 -11.030 7.118 17.528 1.00 10.00 H HETATM 1327 O HOH A 150 -16.943 33.130 11.649 1.00 46.12 O HETATM 1328 H1 HOH A 150 -17.198 32.743 12.494 1.00 10.00 H HETATM 1329 H2 HOH A 150 -17.763 33.534 11.340 1.00 10.00 H HETATM 1330 O HOH A 151 -13.865 19.901 8.363 1.00 30.79 O HETATM 1331 H1 HOH A 151 -14.822 19.777 8.294 1.00 10.00 H HETATM 1332 H2 HOH A 151 -13.725 20.034 9.305 1.00 10.00 H HETATM 1333 O HOH A 152 -6.611 19.348 2.414 1.00 18.62 O HETATM 1334 H1 HOH A 152 -5.795 19.486 1.921 1.00 10.00 H HETATM 1335 H2 HOH A 152 -7.244 19.933 1.973 1.00 10.00 H HETATM 1336 O HOH A 153 -15.622 15.794 10.916 1.00 28.81 O HETATM 1337 H1 HOH A 153 -15.209 16.239 10.166 1.00 10.00 H HETATM 1338 H2 HOH A 153 -14.857 15.522 11.440 1.00 10.00 H HETATM 1339 O HOH A 154 -19.721 16.656 10.703 1.00 43.12 O HETATM 1340 H1 HOH A 154 -18.990 16.410 11.301 1.00 10.00 H HETATM 1341 H2 HOH A 154 -20.436 16.481 11.350 1.00 10.00 H HETATM 1342 O HOH A 155 -19.682 26.580 20.018 1.00 31.74 O HETATM 1343 H1 HOH A 155 -20.408 25.950 20.070 1.00 10.00 H HETATM 1344 H2 HOH A 155 -20.025 27.395 20.399 1.00 10.00 H HETATM 1345 O HOH A 156 -16.589 28.950 14.973 1.00 39.50 O HETATM 1346 H1 HOH A 156 -17.033 28.258 14.472 1.00 10.00 H HETATM 1347 H2 HOH A 156 -16.517 28.560 15.851 1.00 10.00 H HETATM 1348 O HOH A 157 -19.723 25.289 9.908 1.00 43.11 O HETATM 1349 H1 HOH A 157 -18.776 25.151 10.055 1.00 10.00 H HETATM 1350 H2 HOH A 157 -19.783 25.399 8.953 1.00 10.00 H HETATM 1351 O HOH A 158 -17.376 24.354 15.724 1.00 54.37 O HETATM 1352 H1 HOH A 158 -18.152 24.159 15.185 1.00 10.00 H HETATM 1353 H2 HOH A 158 -17.476 23.642 16.388 1.00 10.00 H HETATM 1354 O HOH A 159 -7.821 10.154 13.815 1.00 16.26 O HETATM 1355 H1 HOH A 159 -7.459 9.258 13.720 1.00 10.00 H HETATM 1356 H2 HOH A 159 -7.456 10.618 13.053 1.00 10.00 H HETATM 1357 O HOH A 160 -20.215 27.657 11.351 1.00 45.93 O HETATM 1358 H1 HOH A 160 -20.348 28.267 10.614 1.00 10.00 H HETATM 1359 H2 HOH A 160 -20.024 26.812 10.902 1.00 10.00 H HETATM 1360 O HOH A 161 -15.886 29.217 25.539 1.00 28.12 O HETATM 1361 H1 HOH A 161 -15.200 29.901 25.509 1.00 10.00 H HETATM 1362 H2 HOH A 161 -16.332 29.482 26.375 1.00 10.00 H HETATM 1363 O HOH A 162 -13.630 31.329 25.157 1.00 18.10 O HETATM 1364 H1 HOH A 162 -12.717 31.084 24.979 1.00 10.00 H HETATM 1365 H2 HOH A 162 -13.814 32.081 24.589 1.00 10.00 H HETATM 1366 O HOH A 163 -13.087 11.454 20.096 1.00 39.05 O HETATM 1367 H1 HOH A 163 -12.535 11.287 20.877 1.00 10.00 H HETATM 1368 H2 HOH A 163 -13.964 11.225 20.405 1.00 10.00 H HETATM 1369 O HOH A 164 -10.127 18.648 29.722 1.00 56.31 O HETATM 1370 H1 HOH A 164 -10.577 18.877 28.900 1.00 10.00 H HETATM 1371 H2 HOH A 164 -10.785 18.903 30.372 1.00 10.00 H HETATM 1372 O HOH A 165 -3.650 24.615 36.984 1.00 53.57 O HETATM 1373 H1 HOH A 165 -2.813 24.338 36.576 1.00 10.00 H HETATM 1374 H2 HOH A 165 -4.040 25.017 36.195 1.00 10.00 H HETATM 1375 O HOH A 166 -23.565 21.945 15.536 1.00 33.95 O HETATM 1376 H1 HOH A 166 -22.857 22.564 15.800 1.00 10.00 H HETATM 1377 H2 HOH A 166 -23.062 21.121 15.697 1.00 10.00 H HETATM 1378 O HOH A 167 -3.285 26.364 28.591 1.00 25.62 O HETATM 1379 H1 HOH A 167 -3.323 25.438 28.885 1.00 10.00 H HETATM 1380 H2 HOH A 167 -3.042 26.272 27.665 1.00 10.00 H HETATM 1381 O HOH A 168 -5.278 12.188 28.164 1.00 24.63 O HETATM 1382 H1 HOH A 168 -4.727 11.492 28.571 1.00 10.00 H HETATM 1383 H2 HOH A 168 -6.137 11.749 28.022 1.00 10.00 H HETATM 1384 O HOH A 169 -10.393 33.907 11.544 1.00 31.41 O HETATM 1385 H1 HOH A 169 -11.245 33.660 11.141 1.00 10.00 H HETATM 1386 H2 HOH A 169 -10.302 34.821 11.250 1.00 10.00 H HETATM 1387 O HOH A 170 12.019 18.193 14.757 1.00 51.01 O HETATM 1388 H1 HOH A 170 12.327 17.804 13.934 1.00 10.00 H HETATM 1389 H2 HOH A 170 11.703 19.062 14.448 1.00 10.00 H HETATM 1390 O HOH A 171 -0.100 1.813 11.427 1.00 47.20 O HETATM 1391 H1 HOH A 171 0.653 1.266 11.660 1.00 10.00 H HETATM 1392 H2 HOH A 171 -0.825 1.412 11.911 1.00 10.00 H HETATM 1393 O HOH A 172 27.193 12.810 11.673 1.00 34.32 O HETATM 1394 H1 HOH A 172 27.546 12.326 10.921 1.00 10.00 H HETATM 1395 H2 HOH A 172 27.835 12.623 12.370 1.00 10.00 H HETATM 1396 O HOH A 173 1.921 6.555 10.489 1.00 25.62 O HETATM 1397 H1 HOH A 173 2.198 6.513 11.435 1.00 10.00 H HETATM 1398 H2 HOH A 173 2.096 5.658 10.185 1.00 10.00 H HETATM 1399 O HOH A 174 3.162 5.694 17.863 1.00 45.02 O HETATM 1400 H1 HOH A 174 2.691 5.132 18.482 1.00 10.00 H HETATM 1401 H2 HOH A 174 3.644 6.275 18.463 1.00 10.00 H HETATM 1402 O HOH A 175 -2.970 5.459 23.292 1.00 26.22 O HETATM 1403 H1 HOH A 175 -3.549 4.773 22.941 1.00 10.00 H HETATM 1404 H2 HOH A 175 -3.322 5.631 24.168 1.00 10.00 H HETATM 1405 O HOH A 176 17.861 12.151 30.689 1.00 39.85 O HETATM 1406 H1 HOH A 176 18.044 11.743 29.840 1.00 10.00 H HETATM 1407 H2 HOH A 176 17.349 11.500 31.182 1.00 10.00 H HETATM 1408 O HOH A 177 17.158 7.218 26.596 1.00 19.70 O HETATM 1409 H1 HOH A 177 17.306 6.263 26.490 1.00 10.00 H HETATM 1410 H2 HOH A 177 17.363 7.338 27.537 1.00 10.00 H HETATM 1411 O HOH A 178 2.671 6.860 12.956 1.00 37.61 O HETATM 1412 H1 HOH A 178 3.476 6.376 13.192 1.00 10.00 H HETATM 1413 H2 HOH A 178 2.408 7.212 13.816 1.00 10.00 H HETATM 1414 O HOH A 179 4.499 10.053 9.218 1.00 13.69 O HETATM 1415 H1 HOH A 179 5.115 10.757 9.490 1.00 10.00 H HETATM 1416 H2 HOH A 179 4.854 9.788 8.344 1.00 10.00 H HETATM 1417 O HOH A 180 8.783 11.619 30.551 1.00 26.63 O HETATM 1418 H1 HOH A 180 8.108 12.165 31.016 1.00 10.00 H HETATM 1419 H2 HOH A 180 9.160 12.251 29.917 1.00 10.00 H HETATM 1420 O HOH A 181 10.827 10.624 32.643 1.00 13.58 O HETATM 1421 H1 HOH A 181 10.754 11.459 33.134 1.00 10.00 H HETATM 1422 H2 HOH A 181 10.091 10.736 32.005 1.00 10.00 H HETATM 1423 O HOH A 182 22.286 15.146 36.189 1.00 33.94 O HETATM 1424 H1 HOH A 182 22.495 16.015 35.869 1.00 10.00 H HETATM 1425 H2 HOH A 182 22.982 15.056 36.878 1.00 10.00 H HETATM 1426 O HOH A 183 -4.741 9.805 36.297 1.00 57.38 O HETATM 1427 H1 HOH A 183 -4.579 8.999 36.818 1.00 10.00 H HETATM 1428 H2 HOH A 183 -3.869 9.984 35.930 1.00 10.00 H HETATM 1429 O HOH A 184 15.859 23.914 36.192 1.00 42.26 O HETATM 1430 H1 HOH A 184 16.607 24.455 35.892 1.00 10.00 H HETATM 1431 H2 HOH A 184 15.264 23.927 35.418 1.00 10.00 H HETATM 1432 O HOH A 185 13.046 13.524 26.535 1.00 12.16 O HETATM 1433 H1 HOH A 185 12.383 13.285 25.865 1.00 10.00 H HETATM 1434 H2 HOH A 185 13.896 13.621 26.100 1.00 10.00 H HETATM 1435 O HOH A 186 2.885 20.721 25.312 1.00 16.25 O HETATM 1436 H1 HOH A 186 2.967 21.119 24.435 1.00 10.00 H HETATM 1437 H2 HOH A 186 2.533 21.429 25.855 1.00 10.00 H HETATM 1438 O HOH A 187 8.364 21.422 18.641 1.00 20.31 O HETATM 1439 H1 HOH A 187 8.979 20.961 19.234 1.00 10.00 H HETATM 1440 H2 HOH A 187 7.731 20.698 18.539 1.00 10.00 H HETATM 1441 O HOH A 188 4.295 7.586 34.297 1.00 34.32 O HETATM 1442 H1 HOH A 188 5.143 8.043 34.306 1.00 10.00 H HETATM 1443 H2 HOH A 188 4.070 7.516 35.230 1.00 10.00 H HETATM 1444 O HOH A 189 12.248 10.221 22.798 1.00 14.54 O HETATM 1445 H1 HOH A 189 12.264 10.715 21.972 1.00 10.00 H HETATM 1446 H2 HOH A 189 11.972 9.341 22.521 1.00 10.00 H HETATM 1447 O HOH A 190 7.847 18.123 7.423 1.00 37.07 O HETATM 1448 H1 HOH A 190 8.563 18.742 7.590 1.00 10.00 H HETATM 1449 H2 HOH A 190 7.147 18.723 7.120 1.00 10.00 H HETATM 1450 O HOH A 191 -6.855 27.409 29.975 1.00 15.19 O HETATM 1451 H1 HOH A 191 -7.159 28.313 29.824 1.00 10.00 H HETATM 1452 H2 HOH A 191 -7.133 26.972 29.164 1.00 10.00 H HETATM 1453 O HOH A 192 4.945 24.079 8.926 1.00 39.99 O HETATM 1454 H1 HOH A 192 4.300 23.680 9.523 1.00 10.00 H HETATM 1455 H2 HOH A 192 5.717 23.940 9.511 1.00 10.00 H HETATM 1456 O HOH A 193 -0.789 38.261 20.225 1.00 22.86 O HETATM 1457 H1 HOH A 193 -0.584 38.641 21.086 1.00 10.00 H HETATM 1458 H2 HOH A 193 0.062 37.923 19.921 1.00 10.00 H HETATM 1459 O HOH A 194 0.012 35.525 9.174 1.00 22.20 O HETATM 1460 H1 HOH A 194 -0.019 34.821 9.825 1.00 10.00 H HETATM 1461 H2 HOH A 194 -0.025 36.331 9.719 1.00 10.00 H HETATM 1462 O HOH A 195 -6.549 34.395 19.801 1.00 15.05 O HETATM 1463 H1 HOH A 195 -6.741 34.330 18.857 1.00 10.00 H HETATM 1464 H2 HOH A 195 -6.726 35.328 19.983 1.00 10.00 H HETATM 1465 O HOH A 196 -12.490 18.011 4.912 1.00 39.24 O HETATM 1466 H1 HOH A 196 -13.296 18.235 5.400 1.00 10.00 H HETATM 1467 H2 HOH A 196 -11.899 17.781 5.647 1.00 10.00 H HETATM 1468 O HOH A 197 6.704 23.782 11.472 1.00 33.18 O HETATM 1469 H1 HOH A 197 7.575 24.192 11.470 1.00 10.00 H HETATM 1470 H2 HOH A 197 6.609 23.552 12.409 1.00 10.00 H HETATM 1471 O HOH A 198 0.344 30.704 5.920 1.00 42.69 O HETATM 1472 H1 HOH A 198 -0.417 30.548 6.491 1.00 10.00 H HETATM 1473 H2 HOH A 198 0.111 31.541 5.492 1.00 10.00 H HETATM 1474 O HOH A 199 -14.668 24.424 5.635 1.00 30.65 O HETATM 1475 H1 HOH A 199 -14.937 23.951 4.836 1.00 10.00 H HETATM 1476 H2 HOH A 199 -13.782 24.740 5.419 1.00 10.00 H HETATM 1477 O HOH A 200 18.963 15.048 28.263 1.00 36.70 O HETATM 1478 H1 HOH A 200 18.293 15.381 28.886 1.00 10.00 H HETATM 1479 H2 HOH A 200 18.949 15.721 27.571 1.00 10.00 H HETATM 1480 O HOH A 201 11.893 32.960 32.449 1.00 58.16 O HETATM 1481 H1 HOH A 201 12.502 32.972 31.714 1.00 10.00 H HETATM 1482 H2 HOH A 201 11.470 32.094 32.402 1.00 10.00 H HETATM 1483 O HOH A 202 5.560 25.973 26.874 1.00 49.85 O HETATM 1484 H1 HOH A 202 5.002 25.559 26.203 1.00 10.00 H HETATM 1485 H2 HOH A 202 5.155 26.836 26.966 1.00 10.00 H HETATM 1486 O HOH A 203 2.771 38.490 16.709 1.00 22.77 O HETATM 1487 H1 HOH A 203 1.838 38.720 16.852 1.00 10.00 H HETATM 1488 H2 HOH A 203 2.847 37.634 17.145 1.00 10.00 H HETATM 1489 O HOH A 204 -9.129 13.189 40.176 1.00 26.85 O HETATM 1490 H1 HOH A 204 -8.930 14.020 39.720 1.00 10.00 H HETATM 1491 H2 HOH A 204 -8.349 12.650 39.896 1.00 10.00 H HETATM 1492 O HOH A 205 -13.071 29.383 36.570 1.00 50.22 O HETATM 1493 H1 HOH A 205 -12.139 29.220 36.722 1.00 10.00 H HETATM 1494 H2 HOH A 205 -13.115 30.335 36.409 1.00 10.00 H HETATM 1495 O HOH A 206 12.797 23.683 26.767 1.00 30.25 O HETATM 1496 H1 HOH A 206 12.208 24.405 26.543 1.00 10.00 H HETATM 1497 H2 HOH A 206 13.675 24.074 26.698 1.00 10.00 H HETATM 1498 O HOH A 207 16.276 14.681 25.500 1.00 32.32 O HETATM 1499 H1 HOH A 207 15.707 14.970 26.228 1.00 10.00 H HETATM 1500 H2 HOH A 207 17.063 15.234 25.668 1.00 10.00 H HETATM 1501 O HOH A 208 9.289 29.703 28.281 1.00 52.35 O HETATM 1502 H1 HOH A 208 8.335 29.868 28.350 1.00 10.00 H HETATM 1503 H2 HOH A 208 9.645 30.291 28.948 1.00 10.00 H HETATM 1504 O HOH A 209 -8.487 31.052 26.541 1.00 8.16 O HETATM 1505 H1 HOH A 209 -7.911 30.668 25.875 1.00 10.00 H HETATM 1506 H2 HOH A 209 -7.892 31.172 27.284 1.00 10.00 H HETATM 1507 O HOH A 210 2.828 22.775 28.927 1.00 34.86 O HETATM 1508 H1 HOH A 210 2.516 22.782 29.848 1.00 10.00 H HETATM 1509 H2 HOH A 210 2.880 23.716 28.737 1.00 10.00 H HETATM 1510 O HOH A 211 -0.888 38.218 15.596 1.00 24.56 O HETATM 1511 H1 HOH A 211 -1.251 37.330 15.728 1.00 10.00 H HETATM 1512 H2 HOH A 211 -1.542 38.730 16.091 1.00 10.00 H HETATM 1513 O HOH A 212 7.743 25.215 18.552 1.00 33.39 O HETATM 1514 H1 HOH A 212 7.670 24.313 18.907 1.00 10.00 H HETATM 1515 H2 HOH A 212 7.256 25.069 17.718 1.00 10.00 H HETATM 1516 O HOH A 213 0.016 17.570 4.532 1.00 18.07 O HETATM 1517 H1 HOH A 213 0.338 17.813 5.408 1.00 10.00 H HETATM 1518 H2 HOH A 213 -0.722 17.006 4.794 1.00 10.00 H HETATM 1519 O HOH A 214 -2.438 11.175 4.562 1.00 51.69 O HETATM 1520 H1 HOH A 214 -2.543 11.695 3.754 1.00 10.00 H HETATM 1521 H2 HOH A 214 -2.214 11.905 5.149 1.00 10.00 H HETATM 1522 O HOH A 215 -9.553 12.356 9.454 1.00 30.19 O HETATM 1523 H1 HOH A 215 -8.970 13.118 9.271 1.00 10.00 H HETATM 1524 H2 HOH A 215 -9.600 11.959 8.581 1.00 10.00 H HETATM 1525 O HOH A 216 -12.570 17.708 2.061 1.00 32.84 O HETATM 1526 H1 HOH A 216 -12.462 17.759 3.034 1.00 10.00 H HETATM 1527 H2 HOH A 216 -13.057 16.877 1.987 1.00 10.00 H HETATM 1528 O HOH A 217 -8.123 32.051 37.952 1.00 63.49 O HETATM 1529 H1 HOH A 217 -8.414 32.861 38.381 1.00 10.00 H HETATM 1530 H2 HOH A 217 -8.042 32.351 37.038 1.00 10.00 H HETATM 1531 O HOH A 218 -4.416 19.494 15.606 1.00 37.25 O HETATM 1532 H1 HOH A 218 -4.257 20.343 15.181 1.00 10.00 H HETATM 1533 H2 HOH A 218 -5.156 19.674 16.185 1.00 10.00 H HETATM 1534 O HOH A 219 -16.061 20.097 21.928 1.00 45.11 O HETATM 1535 H1 HOH A 219 -15.123 20.185 21.739 1.00 10.00 H HETATM 1536 H2 HOH A 219 -16.426 20.042 21.029 1.00 10.00 H HETATM 1537 O HOH A 220 -17.847 19.939 18.695 1.00 37.23 O HETATM 1538 H1 HOH A 220 -18.120 19.629 17.815 1.00 10.00 H HETATM 1539 H2 HOH A 220 -17.317 20.686 18.365 1.00 10.00 H HETATM 1540 O HOH A 221 -20.704 29.480 21.874 1.00 14.25 O HETATM 1541 H1 HOH A 221 -19.899 29.835 22.335 1.00 10.00 H HETATM 1542 H2 HOH A 221 -20.881 30.195 21.221 1.00 10.00 H HETATM 1543 O HOH A 222 -14.975 23.298 25.473 1.00 34.20 O HETATM 1544 H1 HOH A 222 -15.407 23.083 26.302 1.00 10.00 H HETATM 1545 H2 HOH A 222 -15.478 22.809 24.814 1.00 10.00 H HETATM 1546 O HOH A 223 5.043 25.144 1.677 1.00 50.71 O HETATM 1547 H1 HOH A 223 5.857 24.763 1.293 1.00 10.00 H HETATM 1548 H2 HOH A 223 4.456 24.390 1.624 1.00 10.00 H HETATM 1549 O HOH A 224 -3.791 28.610 5.120 1.00 25.06 O HETATM 1550 H1 HOH A 224 -4.444 27.905 4.938 1.00 10.00 H HETATM 1551 H2 HOH A 224 -2.969 28.123 5.079 1.00 10.00 H HETATM 1552 O HOH A 225 -4.270 32.632 8.115 1.00 26.60 O HETATM 1553 H1 HOH A 225 -4.282 32.172 7.280 1.00 10.00 H HETATM 1554 H2 HOH A 225 -5.031 32.271 8.570 1.00 10.00 H HETATM 1555 O HOH A 226 -15.195 31.417 10.249 1.00 41.59 O HETATM 1556 H1 HOH A 226 -15.783 30.754 9.881 1.00 10.00 H HETATM 1557 H2 HOH A 226 -15.818 31.988 10.741 1.00 10.00 H HETATM 1558 O HOH A 227 4.535 9.420 6.458 1.00 17.74 O HETATM 1559 H1 HOH A 227 4.857 8.991 5.637 1.00 10.00 H HETATM 1560 H2 HOH A 227 4.473 10.328 6.143 1.00 10.00 H HETATM 1561 O HOH A 228 -2.606 19.377 2.907 1.00 28.21 O HETATM 1562 H1 HOH A 228 -1.811 18.990 3.307 1.00 10.00 H HETATM 1563 H2 HOH A 228 -2.228 19.836 2.148 1.00 10.00 H HETATM 1564 O HOH A 229 0.277 12.510 16.339 1.00 20.84 O HETATM 1565 H1 HOH A 229 -0.241 11.708 16.213 1.00 10.00 H HETATM 1566 H2 HOH A 229 0.963 12.204 16.951 1.00 10.00 H HETATM 1567 O HOH A 230 10.435 13.300 2.771 1.00 28.54 O HETATM 1568 H1 HOH A 230 10.317 14.133 3.257 1.00 10.00 H HETATM 1569 H2 HOH A 230 10.208 12.630 3.436 1.00 10.00 H HETATM 1570 O HOH A 231 13.535 14.368 17.464 1.00 53.00 O HETATM 1571 H1 HOH A 231 13.043 14.441 18.300 1.00 10.00 H HETATM 1572 H2 HOH A 231 12.801 14.401 16.824 1.00 10.00 H HETATM 1573 O HOH A 232 18.993 16.398 25.767 1.00 35.56 O HETATM 1574 H1 HOH A 232 19.239 17.211 26.245 1.00 10.00 H HETATM 1575 H2 HOH A 232 19.818 16.200 25.314 1.00 10.00 H HETATM 1576 O HOH A 233 10.212 22.724 27.684 1.00 31.43 O HETATM 1577 H1 HOH A 233 11.171 22.637 27.532 1.00 10.00 H HETATM 1578 H2 HOH A 233 10.001 23.641 27.465 1.00 10.00 H HETATM 1579 O HOH A 236 5.881 11.505 36.884 1.00 41.84 O HETATM 1580 H1 HOH A 236 6.456 11.323 37.633 1.00 10.00 H HETATM 1581 H2 HOH A 236 6.427 12.140 36.404 1.00 10.00 H HETATM 1582 O HOH A 237 1.539 16.108 39.524 1.00 37.82 O HETATM 1583 H1 HOH A 237 0.963 16.710 40.041 1.00 10.00 H HETATM 1584 H2 HOH A 237 2.337 16.154 40.059 1.00 10.00 H HETATM 1585 O HOH A 238 11.499 5.802 33.013 1.00 42.85 O HETATM 1586 H1 HOH A 238 11.947 5.345 33.733 1.00 10.00 H HETATM 1587 H2 HOH A 238 12.177 6.444 32.753 1.00 10.00 H HETATM 1588 O HOH A 240 12.543 10.772 37.438 1.00 44.98 O HETATM 1589 H1 HOH A 240 11.992 11.053 36.683 1.00 10.00 H HETATM 1590 H2 HOH A 240 12.935 9.966 37.075 1.00 10.00 H HETATM 1591 O HOH A 242 16.364 14.711 29.822 1.00 55.45 O HETATM 1592 H1 HOH A 242 15.609 14.319 29.351 1.00 10.00 H HETATM 1593 H2 HOH A 242 16.786 13.920 30.208 1.00 10.00 H HETATM 1594 O HOH A 248 -10.540 12.417 28.237 1.00 61.70 O HETATM 1595 H1 HOH A 248 -10.471 13.382 28.123 1.00 10.00 H HETATM 1596 H2 HOH A 248 -11.039 12.150 27.449 1.00 10.00 H HETATM 1597 O HOH A 249 -10.794 13.712 31.627 1.00 52.68 O HETATM 1598 H1 HOH A 249 -10.853 13.598 30.675 1.00 10.00 H HETATM 1599 H2 HOH A 249 -10.316 12.907 31.896 1.00 10.00 H HETATM 1600 O HOH A 250 -2.109 10.497 18.964 1.00 20.15 O HETATM 1601 H1 HOH A 250 -1.521 9.824 19.335 1.00 10.00 H HETATM 1602 H2 HOH A 250 -2.582 9.985 18.284 1.00 10.00 H HETATM 1603 O HOH A 251 -5.074 6.930 6.448 1.00 36.96 O HETATM 1604 H1 HOH A 251 -5.615 7.518 6.977 1.00 10.00 H HETATM 1605 H2 HOH A 251 -5.080 7.312 5.564 1.00 10.00 H HETATM 1606 O HOH A 252 1.351 30.026 28.391 1.00 29.78 O HETATM 1607 H1 HOH A 252 0.983 30.421 29.191 1.00 10.00 H HETATM 1608 H2 HOH A 252 1.249 30.727 27.734 1.00 10.00 H HETATM 1609 O HOH A 253 -18.729 30.242 23.326 1.00 34.00 O HETATM 1610 H1 HOH A 253 -17.929 29.800 23.657 1.00 10.00 H HETATM 1611 H2 HOH A 253 -18.632 31.092 23.782 1.00 10.00 H HETATM 1612 O HOH A 254 -4.748 30.788 34.803 1.00 56.82 O HETATM 1613 H1 HOH A 254 -4.914 30.117 35.480 1.00 10.00 H HETATM 1614 H2 HOH A 254 -5.473 30.645 34.203 1.00 10.00 H HETATM 1615 O HOH A 255 2.261 22.698 32.717 1.00 32.80 O HETATM 1616 H1 HOH A 255 2.795 22.535 33.492 1.00 10.00 H HETATM 1617 H2 HOH A 255 1.388 22.351 32.954 1.00 10.00 H HETATM 1618 O HOH A 256 -8.673 37.208 12.061 1.00 50.41 O HETATM 1619 H1 HOH A 256 -8.156 36.422 12.264 1.00 10.00 H HETATM 1620 H2 HOH A 256 -8.672 37.707 12.881 1.00 10.00 H HETATM 1621 O HOH A 257 -5.693 37.147 -1.219 1.00 31.27 O HETATM 1622 H1 HOH A 257 -5.392 36.532 -0.547 1.00 10.00 H HETATM 1623 H2 HOH A 257 -4.896 37.667 -1.378 1.00 10.00 H HETATM 1624 O HOH A 258 -7.219 34.900 15.274 1.00 20.00 O HETATM 1625 H1 HOH A 258 -7.431 35.775 14.918 1.00 10.00 H HETATM 1626 H2 HOH A 258 -7.131 34.386 14.462 1.00 10.00 H HETATM 1627 O HOH A 259 -11.630 30.995 18.135 1.00 19.10 O HETATM 1628 H1 HOH A 259 -12.368 30.993 18.768 1.00 10.00 H HETATM 1629 H2 HOH A 259 -12.070 31.402 17.367 1.00 10.00 H HETATM 1630 O HOH A 260 9.244 19.039 35.399 1.00 50.36 O HETATM 1631 H1 HOH A 260 8.938 18.290 35.921 1.00 10.00 H HETATM 1632 H2 HOH A 260 8.691 18.988 34.617 1.00 10.00 H HETATM 1633 O HOH A 262 16.138 10.350 33.065 1.00 38.34 O HETATM 1634 H1 HOH A 262 16.801 10.665 33.710 1.00 10.00 H HETATM 1635 H2 HOH A 262 16.328 9.406 33.063 1.00 10.00 H HETATM 1636 O HOH A 264 8.844 5.877 33.049 1.00 60.49 O HETATM 1637 H1 HOH A 264 8.594 6.812 33.093 1.00 10.00 H HETATM 1638 H2 HOH A 264 9.820 5.929 33.159 1.00 10.00 H HETATM 1639 O HOH A 265 7.041 13.026 31.832 1.00 20.38 O HETATM 1640 H1 HOH A 265 6.253 12.800 31.324 1.00 10.00 H HETATM 1641 H2 HOH A 265 6.996 13.986 31.739 1.00 10.00 H HETATM 1642 O HOH A 266 -7.995 11.697 28.674 1.00 24.36 O HETATM 1643 H1 HOH A 266 -8.903 11.929 28.352 1.00 10.00 H HETATM 1644 H2 HOH A 266 -8.188 10.844 29.097 1.00 10.00 H HETATM 1645 O HOH A 267 -9.136 15.372 28.218 1.00 29.45 O HETATM 1646 H1 HOH A 267 -8.393 15.587 27.637 1.00 10.00 H HETATM 1647 H2 HOH A 267 -9.380 16.239 28.579 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 329 0 0 7 3 0 0 6 1646 1 8 10 END