HEADER HYDROLASE 24-MAR-04 1VDS TITLE THE CRYSTAL STRUCTURE OF THE TETRAGONAL FORM OF HEN EGG TITLE 2 WHITE LYSOZYME AT 1.6 ANGSTROMS RESOLUTION IN SPACE COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME C; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: 1,4-BETA-N-ACETYLMURAMIDASE C, ALLERGEN GAL D 4, COMPND 5 GAL D IV; COMPND 6 EC: 3.2.1.17 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 3 ORGANISM_COMMON: CHICKEN; SOURCE 4 ORGANISM_TAXID: 9031; SOURCE 5 TISSUE: EGG WHITE KEYWDS LYSOZYME, HEN EGG WHITE, TETRAGONAL, MICROGRAVITY, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR S.AIBARA,A.SUZUKI,A.KIDERA,K.SHIBATA,T.YAMANE,L.J.DELUCAS, AUTHOR 2 M.HIROSE REVDAT 2 24-FEB-09 1VDS 1 VERSN REVDAT 1 13-APR-04 1VDS 0 JRNL AUTH S.AIBARA,A.SUZUKI,A.KIDERA,K.SHIBATA,T.YAMANE, JRNL AUTH 2 L.J.DELUCAS,M.HIROSE JRNL TITL THE CRYSTAL STRUCTURE OF THE TETRAGONAL FORM OF JRNL TITL 2 HEN EGG WHITE LYSOZYME AT 1.6 ANGSTROMS RESOLUTION JRNL TITL 3 IN SPACE JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH S.AIBARA,A.SUZUKI,A.KIDERA,K.SHIBATA,T.YAMANE, REMARK 1 AUTH 2 L.J.DELUCAS,M.HIROSE REMARK 1 TITL MICROGRAVITY INFLUENCES THE NUCLEATION PROCESS OF REMARK 1 TITL 2 PROTEIN CRYSTAL GROWTH REMARK 1 REF PROCEEDINGS OF THE 1739 2002 REMARK 1 REF 2 TWENTY-THIRD INTERNATIONAL REMARK 1 REF 3 SYMPOSIUM ON SPACE REMARK 1 REF 4 TECHNOLOGY AND SCIENCE REMARK 2 REMARK 2 RESOLUTION. 1.60 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 9.88 REMARK 3 DATA CUTOFF (SIGMA(F)) : 3.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1433592.890 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 92.4 REMARK 3 NUMBER OF REFLECTIONS : 15118 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.185 REMARK 3 FREE R VALUE : 0.219 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.700 REMARK 3 FREE R VALUE TEST SET COUNT : 714 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.008 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.60 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.70 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 92.00 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2320 REMARK 3 BIN R VALUE (WORKING SET) : 0.2560 REMARK 3 BIN FREE R VALUE : 0.2620 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.90 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 120 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.024 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 : 117 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 20.70 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.60 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.17000 REMARK 3 B22 (A**2) : -0.17000 REMARK 3 B33 (A**2) : 0.34000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.17 REMARK 3 ESD FROM SIGMAA (A) : 0.13 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.20 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.08 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.014 REMARK 3 BOND ANGLES (DEGREES) : 2.40 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.30 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.31 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.290 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.970 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 23.560; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 13.570; 2.500 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 : PARAM19.PRO REMARK 3 PARAMETER FILE 2 : PARAM.WAT REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 PARAMETER FILE 4 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPH19X.PRO REMARK 3 TOPOLOGY FILE 2 : TOPH19.PEP REMARK 3 TOPOLOGY FILE 3 : TOPH.WAT REMARK 3 TOPOLOGY FILE 4 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1VDS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 29-MAR-04. REMARK 100 THE RCSB ID CODE IS RCSB006502. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 27-MAY-97 REMARK 200 TEMPERATURE (KELVIN) : 293 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU300 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : YALE MIRRORS REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 15634 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 REMARK 200 RESOLUTION RANGE LOW (A) : 17.600 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 94.8 REMARK 200 DATA REDUNDANCY : 6.600 REMARK 200 R MERGE (I) : 0.06100 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) : 1.60 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.66 REMARK 200 COMPLETENESS FOR SHELL (%) : 98.7 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.14500 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 19.000 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 40.71 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.07 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+3/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 18.96650 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.59600 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.59600 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 28.44975 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.59600 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.59600 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.48325 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.59600 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.59600 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 28.44975 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.59600 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.59600 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.48325 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 18.96650 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 5 NE - CZ - NH1 ANGL. DEV. = 3.9 DEGREES REMARK 500 TRP A 28 CD1 - CG - CD2 ANGL. DEV. = 6.5 DEGREES REMARK 500 TRP A 28 CE2 - CD2 - CG ANGL. DEV. = -5.7 DEGREES REMARK 500 TRP A 62 CD1 - CG - CD2 ANGL. DEV. = 7.1 DEGREES REMARK 500 TRP A 62 CE2 - CD2 - CG ANGL. DEV. = -6.2 DEGREES REMARK 500 TRP A 63 CD1 - CG - CD2 ANGL. DEV. = 6.1 DEGREES REMARK 500 TRP A 63 CE2 - CD2 - CG ANGL. DEV. = -5.8 DEGREES REMARK 500 TRP A 108 CD1 - CG - CD2 ANGL. DEV. = 5.4 DEGREES REMARK 500 TRP A 108 CE2 - CD2 - CG ANGL. DEV. = -4.9 DEGREES REMARK 500 TRP A 111 CD1 - CG - CD2 ANGL. DEV. = 6.1 DEGREES REMARK 500 TRP A 111 CE2 - CD2 - CG ANGL. DEV. = -6.3 DEGREES REMARK 500 TRP A 123 CD1 - CG - CD2 ANGL. DEV. = 6.7 DEGREES REMARK 500 TRP A 123 CE2 - CD2 - CG ANGL. DEV. = -6.2 DEGREES REMARK 500 ARG A 125 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 68 18.85 -140.57 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1VDP RELATED DB: PDB REMARK 900 THE SAME PROTEIN, THE MONOCLINIC FORM AT 1.7 A RESOLUTION REMARK 900 IN SPACE REMARK 900 RELATED ID: 1VDQ RELATED DB: PDB REMARK 900 THE SAME PROTEIN, THE ORTHORHOMBIC FORM AT 1.5 A RESOLUTION REMARK 900 RELATED ID: 1VDT RELATED DB: PDB REMARK 900 THE SAME PROTEIN, THE TETRAGONAL FORM AT 1.7 A RESOLUTION REMARK 900 UNDER BASIC CONDITIONS IN SPACE REMARK 900 RELATED ID: 1VED RELATED DB: PDB REMARK 900 THE SAME PROTEIN, THE ORTHORHOMBIC FORM AT 1.9 A RESOLUTION REMARK 900 IN SPACE DBREF 1VDS 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 *117(H2 O) HELIX 1 1 GLY A 4 HIS A 15 1 12 HELIX 2 2 ASN A 19 TYR A 23 5 5 HELIX 3 3 SER A 24 ASN A 37 1 14 HELIX 4 4 PRO A 79 SER A 85 5 7 HELIX 5 5 ILE A 88 ASP A 101 1 14 HELIX 6 6 ASN A 103 ALA A 107 5 5 HELIX 7 7 TRP A 108 CYS A 115 1 8 HELIX 8 8 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 O ASP A 52 N ASN A 44 SHEET 3 A 3 ILE A 58 ASN A 59 -1 O ILE A 58 N TYR A 53 SSBOND 1 CYS A 6 CYS A 127 1555 1555 2.00 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.03 SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.04 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.03 CRYST1 79.192 79.192 37.933 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 0.012628 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012628 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026362 0.00000 ATOM 1 N LYS A 1 10.116 3.157 27.726 1.00 18.06 N ATOM 2 CA LYS A 1 10.486 2.302 28.826 1.00 17.96 C ATOM 3 C LYS A 1 12.005 2.379 29.007 1.00 17.22 C ATOM 4 O LYS A 1 12.714 2.486 28.006 1.00 15.61 O ATOM 5 CB LYS A 1 10.042 0.896 28.432 1.00 17.63 C ATOM 6 CG LYS A 1 10.391 -0.138 29.427 1.00 19.11 C ATOM 7 CD LYS A 1 10.042 -1.471 28.787 1.00 23.17 C ATOM 8 CE LYS A 1 10.209 -2.656 29.770 1.00 25.56 C ATOM 9 NZ LYS A 1 11.440 -2.485 30.503 1.00 29.77 N ATOM 10 H1 LYS A 1 10.590 2.811 26.870 1.00 0.00 H ATOM 11 H2 LYS A 1 10.333 4.122 27.889 1.00 0.00 H ATOM 12 H3 LYS A 1 9.108 3.046 27.666 1.00 0.00 H ATOM 13 HZ1 LYS A 1 11.404 -1.603 31.046 1.00 0.00 H ATOM 14 HZ2 LYS A 1 12.243 -2.457 29.841 1.00 0.00 H ATOM 15 HZ3 LYS A 1 11.561 -3.278 31.151 1.00 0.00 H ATOM 16 N VAL A 2 12.480 2.506 30.230 1.00 15.83 N ATOM 17 CA VAL A 2 13.873 2.440 30.553 1.00 17.04 C ATOM 18 C VAL A 2 14.112 1.010 31.060 1.00 17.10 C ATOM 19 O VAL A 2 13.565 0.570 32.079 1.00 18.88 O ATOM 20 CB VAL A 2 14.259 3.504 31.641 1.00 16.63 C ATOM 21 CG1 VAL A 2 15.749 3.439 31.956 1.00 17.34 C ATOM 22 CG2 VAL A 2 14.017 4.909 31.108 1.00 17.92 C ATOM 23 H VAL A 2 11.902 2.655 30.973 1.00 0.00 H ATOM 24 N PHE A 3 14.818 0.210 30.283 1.00 16.18 N ATOM 25 CA PHE A 3 15.166 -1.145 30.677 1.00 16.30 C ATOM 26 C PHE A 3 16.221 -1.259 31.763 1.00 17.02 C ATOM 27 O PHE A 3 17.140 -0.453 31.885 1.00 16.43 O ATOM 28 CB PHE A 3 15.682 -1.920 29.474 1.00 15.55 C ATOM 29 CG PHE A 3 14.585 -2.457 28.560 1.00 17.06 C ATOM 30 CD1 PHE A 3 13.974 -1.630 27.607 1.00 16.32 C ATOM 31 CD2 PHE A 3 14.195 -3.804 28.682 1.00 17.16 C ATOM 32 CE1 PHE A 3 12.975 -2.161 26.785 1.00 17.98 C ATOM 33 CE2 PHE A 3 13.192 -4.311 27.850 1.00 18.45 C ATOM 34 CZ PHE A 3 12.580 -3.491 26.893 1.00 18.16 C ATOM 35 H PHE A 3 15.121 0.536 29.406 1.00 0.00 H ATOM 36 N GLY A 4 16.105 -2.292 32.588 1.00 17.90 N ATOM 37 CA GLY A 4 17.221 -2.679 33.415 1.00 17.82 C ATOM 38 C GLY A 4 18.219 -3.464 32.540 1.00 16.98 C ATOM 39 O GLY A 4 17.857 -4.036 31.513 1.00 16.29 O ATOM 40 H GLY A 4 15.279 -2.803 32.617 1.00 0.00 H ATOM 41 N ARG A 5 19.464 -3.552 32.993 1.00 18.07 N ATOM 42 CA ARG A 5 20.543 -4.228 32.289 1.00 18.21 C ATOM 43 C ARG A 5 20.192 -5.700 31.971 1.00 19.20 C ATOM 44 O ARG A 5 20.084 -6.115 30.792 1.00 17.57 O ATOM 45 CB ARG A 5 21.795 -4.110 33.178 1.00 18.50 C ATOM 46 CG ARG A 5 23.017 -4.783 32.591 1.00 19.27 C ATOM 47 CD ARG A 5 24.292 -4.487 33.346 1.00 20.65 C ATOM 48 NE ARG A 5 24.206 -5.030 34.688 1.00 25.14 N ATOM 49 CZ ARG A 5 24.566 -6.292 35.010 1.00 26.46 C ATOM 50 NH1 ARG A 5 25.055 -7.187 34.132 1.00 25.40 N ATOM 51 NH2 ARG A 5 24.364 -6.684 36.261 1.00 27.47 N ATOM 52 H ARG A 5 19.648 -3.138 33.858 1.00 0.00 H ATOM 53 HE ARG A 5 23.870 -4.452 35.401 1.00 0.00 H ATOM 54 HH11 ARG A 5 25.182 -6.924 33.173 1.00 0.00 H ATOM 55 HH12 ARG A 5 25.306 -8.101 34.434 1.00 0.00 H ATOM 56 HH21 ARG A 5 23.955 -6.053 36.916 1.00 0.00 H ATOM 57 HH22 ARG A 5 24.614 -7.612 36.528 1.00 0.00 H ATOM 58 N CYS A 6 19.899 -6.474 33.047 1.00 17.78 N ATOM 59 CA CYS A 6 19.531 -7.865 32.854 1.00 17.84 C ATOM 60 C CYS A 6 18.197 -8.078 32.156 1.00 16.82 C ATOM 61 O CYS A 6 18.049 -8.988 31.338 1.00 17.87 O ATOM 62 CB CYS A 6 19.531 -8.591 34.192 1.00 19.35 C ATOM 63 SG CYS A 6 21.196 -8.709 34.883 1.00 21.41 S ATOM 64 H CYS A 6 19.897 -6.097 33.936 1.00 0.00 H ATOM 65 N GLU A 7 17.230 -7.205 32.370 1.00 16.11 N ATOM 66 CA GLU A 7 15.994 -7.247 31.640 1.00 16.43 C ATOM 67 C GLU A 7 16.207 -7.078 30.120 1.00 15.82 C ATOM 68 O GLU A 7 15.607 -7.785 29.294 1.00 14.97 O ATOM 69 CB GLU A 7 15.154 -6.150 32.192 1.00 17.91 C ATOM 70 CG GLU A 7 13.816 -6.055 31.513 1.00 19.81 C ATOM 71 CD GLU A 7 12.999 -4.882 32.009 1.00 20.45 C ATOM 72 OE1 GLU A 7 13.541 -3.900 32.504 1.00 21.55 O ATOM 73 OE2 GLU A 7 11.783 -4.968 31.878 1.00 25.70 O ATOM 74 H GLU A 7 17.336 -6.538 33.080 1.00 0.00 H ATOM 75 N LEU A 8 17.072 -6.131 29.724 1.00 15.04 N ATOM 76 CA LEU A 8 17.335 -5.906 28.317 1.00 15.27 C ATOM 77 C LEU A 8 18.100 -7.078 27.730 1.00 14.34 C ATOM 78 O LEU A 8 17.772 -7.546 26.640 1.00 15.53 O ATOM 79 CB LEU A 8 18.151 -4.632 28.117 1.00 14.50 C ATOM 80 CG LEU A 8 18.452 -4.277 26.661 1.00 15.50 C ATOM 81 CD1 LEU A 8 17.129 -4.081 25.881 1.00 15.08 C ATOM 82 CD2 LEU A 8 19.326 -3.055 26.625 1.00 15.58 C ATOM 83 H LEU A 8 17.551 -5.591 30.385 1.00 0.00 H ATOM 84 N ALA A 9 19.118 -7.582 28.421 1.00 15.32 N ATOM 85 CA ALA A 9 19.865 -8.752 27.952 1.00 15.96 C ATOM 86 C ALA A 9 18.934 -9.936 27.656 1.00 14.88 C ATOM 87 O ALA A 9 19.024 -10.566 26.596 1.00 15.47 O ATOM 88 CB ALA A 9 20.893 -9.152 29.023 1.00 14.57 C ATOM 89 H ALA A 9 19.409 -7.129 29.243 1.00 0.00 H ATOM 90 N ALA A 10 17.947 -10.152 28.530 1.00 15.83 N ATOM 91 CA ALA A 10 17.017 -11.241 28.351 1.00 16.10 C ATOM 92 C ALA A 10 16.096 -11.007 27.171 1.00 16.83 C ATOM 93 O ALA A 10 15.837 -11.903 26.366 1.00 17.01 O ATOM 94 CB ALA A 10 16.228 -11.398 29.648 1.00 17.50 C ATOM 95 H ALA A 10 17.854 -9.559 29.310 1.00 0.00 H ATOM 96 N ALA A 11 15.617 -9.801 26.930 1.00 16.92 N ATOM 97 CA ALA A 11 14.762 -9.560 25.772 1.00 16.99 C ATOM 98 C ALA A 11 15.556 -9.656 24.443 1.00 16.82 C ATOM 99 O ALA A 11 15.046 -10.137 23.420 1.00 17.04 O ATOM 100 CB ALA A 11 14.137 -8.167 25.879 1.00 18.23 C ATOM 101 H ALA A 11 15.816 -9.064 27.544 1.00 0.00 H ATOM 102 N MET A 12 16.823 -9.210 24.411 1.00 16.68 N ATOM 103 CA MET A 12 17.633 -9.261 23.202 1.00 15.78 C ATOM 104 C MET A 12 17.953 -10.702 22.881 1.00 16.51 C ATOM 105 O MET A 12 17.921 -11.104 21.724 1.00 17.69 O ATOM 106 CB MET A 12 18.930 -8.493 23.384 1.00 14.49 C ATOM 107 CG MET A 12 18.716 -6.976 23.344 1.00 16.37 C ATOM 108 SD MET A 12 20.274 -6.119 23.653 1.00 17.48 S ATOM 109 CE MET A 12 19.975 -4.678 22.680 1.00 16.65 C ATOM 110 H MET A 12 17.216 -8.842 25.228 1.00 0.00 H ATOM 111 N LYS A 13 18.199 -11.518 23.904 1.00 18.32 N ATOM 112 CA LYS A 13 18.488 -12.948 23.742 1.00 19.85 C ATOM 113 C LYS A 13 17.269 -13.595 23.147 1.00 18.99 C ATOM 114 O LYS A 13 17.429 -14.269 22.139 1.00 18.96 O ATOM 115 CB LYS A 13 18.797 -13.645 25.081 1.00 21.61 C ATOM 116 CG LYS A 13 19.247 -15.087 24.882 1.00 26.00 C ATOM 117 CD LYS A 13 19.843 -15.613 26.154 1.00 28.87 C ATOM 118 CE LYS A 13 20.300 -17.041 25.976 1.00 33.22 C ATOM 119 NZ LYS A 13 21.043 -17.443 27.163 1.00 36.66 N ATOM 120 H LYS A 13 18.192 -11.135 24.813 1.00 0.00 H ATOM 121 HZ1 LYS A 13 20.435 -17.357 28.004 1.00 0.00 H ATOM 122 HZ2 LYS A 13 21.869 -16.817 27.275 1.00 0.00 H ATOM 123 HZ3 LYS A 13 21.367 -18.425 27.065 1.00 0.00 H ATOM 124 N ARG A 14 16.061 -13.314 23.659 1.00 20.25 N ATOM 125 CA ARG A 14 14.871 -13.941 23.103 1.00 22.63 C ATOM 126 C ARG A 14 14.646 -13.588 21.657 1.00 21.71 C ATOM 127 O ARG A 14 14.190 -14.391 20.863 1.00 21.56 O ATOM 128 CB ARG A 14 13.651 -13.538 23.929 1.00 24.71 C ATOM 129 CG ARG A 14 12.408 -14.273 23.441 1.00 29.26 C ATOM 130 CD ARG A 14 11.239 -14.086 24.390 1.00 32.15 C ATOM 131 NE ARG A 14 10.692 -12.739 24.463 1.00 35.14 N ATOM 132 CZ ARG A 14 9.714 -12.296 23.654 1.00 35.06 C ATOM 133 NH1 ARG A 14 9.163 -13.057 22.699 1.00 33.98 N ATOM 134 NH2 ARG A 14 9.250 -11.058 23.862 1.00 35.50 N ATOM 135 H ARG A 14 15.989 -12.705 24.432 1.00 0.00 H ATOM 136 HE ARG A 14 11.056 -12.124 25.132 1.00 0.00 H ATOM 137 HH11 ARG A 14 9.484 -13.985 22.564 1.00 0.00 H ATOM 138 HH12 ARG A 14 8.433 -12.686 22.129 1.00 0.00 H ATOM 139 HH21 ARG A 14 9.631 -10.507 24.609 1.00 0.00 H ATOM 140 HH22 ARG A 14 8.516 -10.695 23.295 1.00 0.00 H ATOM 141 N HIS A 15 14.971 -12.347 21.297 1.00 22.41 N ATOM 142 CA HIS A 15 14.855 -11.880 19.915 1.00 22.10 C ATOM 143 C HIS A 15 16.018 -12.251 19.003 1.00 21.79 C ATOM 144 O HIS A 15 16.128 -11.690 17.914 1.00 23.07 O ATOM 145 CB HIS A 15 14.705 -10.401 19.906 1.00 22.13 C ATOM 146 CG HIS A 15 13.331 -9.973 20.342 1.00 24.62 C ATOM 147 ND1 HIS A 15 12.962 -9.627 21.570 1.00 26.49 N ATOM 148 CD2 HIS A 15 12.232 -9.886 19.525 1.00 26.19 C ATOM 149 CE1 HIS A 15 11.686 -9.332 21.543 1.00 25.80 C ATOM 150 NE2 HIS A 15 11.262 -9.495 20.314 1.00 27.03 N ATOM 151 H HIS A 15 15.290 -11.724 21.986 1.00 0.00 H ATOM 152 HD1 HIS A 15 13.554 -9.600 22.360 1.00 0.00 H ATOM 153 HE2 HIS A 15 10.327 -9.364 20.052 1.00 0.00 H ATOM 154 N GLY A 16 16.921 -13.142 19.425 1.00 21.87 N ATOM 155 CA GLY A 16 17.975 -13.672 18.560 1.00 21.82 C ATOM 156 C GLY A 16 19.269 -12.867 18.459 1.00 23.15 C ATOM 157 O GLY A 16 20.118 -13.182 17.603 1.00 21.79 O ATOM 158 H GLY A 16 16.868 -13.474 20.344 1.00 0.00 H ATOM 159 N LEU A 17 19.475 -11.824 19.277 1.00 21.83 N ATOM 160 CA LEU A 17 20.738 -11.132 19.167 1.00 20.42 C ATOM 161 C LEU A 17 21.969 -11.797 19.768 1.00 20.68 C ATOM 162 O LEU A 17 23.065 -11.399 19.363 1.00 20.90 O ATOM 163 CB LEU A 17 20.569 -9.738 19.747 1.00 17.91 C ATOM 164 CG LEU A 17 19.772 -8.799 18.887 1.00 18.54 C ATOM 165 CD1 LEU A 17 19.766 -7.445 19.590 1.00 21.60 C ATOM 166 CD2 LEU A 17 20.394 -8.604 17.510 1.00 20.26 C ATOM 167 H LEU A 17 18.791 -11.548 19.922 1.00 0.00 H ATOM 168 N ASP A 18 21.991 -12.761 20.696 1.00 20.28 N ATOM 169 CA ASP A 18 23.242 -13.309 21.206 1.00 21.63 C ATOM 170 C ASP A 18 23.968 -14.070 20.108 1.00 21.97 C ATOM 171 O ASP A 18 23.480 -15.049 19.549 1.00 21.66 O ATOM 172 CB ASP A 18 23.006 -14.255 22.379 1.00 23.76 C ATOM 173 CG ASP A 18 24.260 -14.754 23.148 1.00 26.73 C ATOM 174 OD1 ASP A 18 25.388 -14.212 23.009 1.00 25.85 O ATOM 175 OD2 ASP A 18 24.088 -15.708 23.932 1.00 29.23 O ATOM 176 H ASP A 18 21.141 -13.144 21.002 1.00 0.00 H ATOM 177 N ASN A 19 25.174 -13.588 19.830 1.00 21.54 N ATOM 178 CA ASN A 19 26.040 -14.065 18.753 1.00 23.14 C ATOM 179 C ASN A 19 25.480 -13.848 17.355 1.00 21.01 C ATOM 180 O ASN A 19 25.989 -14.431 16.398 1.00 20.03 O ATOM 181 CB ASN A 19 26.382 -15.564 18.912 1.00 28.95 C ATOM 182 CG ASN A 19 27.055 -15.914 20.240 1.00 33.91 C ATOM 183 OD1 ASN A 19 26.569 -16.742 21.021 1.00 38.69 O ATOM 184 ND2 ASN A 19 28.163 -15.293 20.639 1.00 36.51 N ATOM 185 H ASN A 19 25.456 -12.790 20.322 1.00 0.00 H ATOM 186 HD21 ASN A 19 28.573 -14.629 20.061 1.00 0.00 H ATOM 187 HD22 ASN A 19 28.538 -15.602 21.493 1.00 0.00 H ATOM 188 N TYR A 20 24.523 -12.932 17.143 1.00 19.03 N ATOM 189 CA TYR A 20 24.011 -12.668 15.806 1.00 17.98 C ATOM 190 C TYR A 20 25.168 -12.007 15.057 1.00 19.32 C ATOM 191 O TYR A 20 25.804 -11.079 15.577 1.00 19.07 O ATOM 192 CB TYR A 20 22.819 -11.727 15.838 1.00 17.28 C ATOM 193 CG TYR A 20 22.177 -11.540 14.479 1.00 17.30 C ATOM 194 CD1 TYR A 20 21.241 -12.469 14.007 1.00 17.84 C ATOM 195 CD2 TYR A 20 22.589 -10.479 13.669 1.00 16.93 C ATOM 196 CE1 TYR A 20 20.745 -12.347 12.703 1.00 19.23 C ATOM 197 CE2 TYR A 20 22.105 -10.355 12.372 1.00 18.73 C ATOM 198 CZ TYR A 20 21.185 -11.291 11.887 1.00 21.13 C ATOM 199 OH TYR A 20 20.741 -11.189 10.573 1.00 23.60 O ATOM 200 H TYR A 20 24.180 -12.420 17.910 1.00 0.00 H ATOM 201 HH TYR A 20 21.112 -10.391 10.176 1.00 0.00 H ATOM 202 N ARG A 21 25.497 -12.588 13.887 1.00 18.94 N ATOM 203 CA ARG A 21 26.656 -12.222 13.066 1.00 20.37 C ATOM 204 C ARG A 21 27.965 -12.211 13.843 1.00 18.49 C ATOM 205 O ARG A 21 28.879 -11.415 13.594 1.00 19.31 O ATOM 206 CB ARG A 21 26.468 -10.840 12.411 1.00 21.86 C ATOM 207 CG ARG A 21 25.710 -10.910 11.116 1.00 30.25 C ATOM 208 CD ARG A 21 26.359 -9.819 10.309 1.00 36.30 C ATOM 209 NE ARG A 21 26.724 -10.222 8.942 1.00 44.43 N ATOM 210 CZ ARG A 21 27.868 -9.790 8.367 1.00 45.92 C ATOM 211 NH1 ARG A 21 28.717 -8.988 9.043 1.00 49.07 N ATOM 212 NH2 ARG A 21 28.136 -10.081 7.090 1.00 46.95 N ATOM 213 H ARG A 21 24.906 -13.313 13.568 1.00 0.00 H ATOM 214 HE ARG A 21 26.131 -10.812 8.435 1.00 0.00 H ATOM 215 HH11 ARG A 21 28.486 -8.678 9.967 1.00 0.00 H ATOM 216 HH12 ARG A 21 29.544 -8.642 8.602 1.00 0.00 H ATOM 217 HH21 ARG A 21 27.500 -10.643 6.561 1.00 0.00 H ATOM 218 HH22 ARG A 21 28.984 -9.757 6.670 1.00 0.00 H ATOM 219 N GLY A 22 28.038 -13.106 14.825 1.00 17.22 N ATOM 220 CA GLY A 22 29.239 -13.265 15.644 1.00 15.79 C ATOM 221 C GLY A 22 29.393 -12.282 16.791 1.00 14.46 C ATOM 222 O GLY A 22 30.415 -12.279 17.451 1.00 14.72 O ATOM 223 H GLY A 22 27.264 -13.683 14.994 1.00 0.00 H ATOM 224 N TYR A 23 28.386 -11.458 17.126 1.00 14.71 N ATOM 225 CA TYR A 23 28.503 -10.468 18.198 1.00 13.92 C ATOM 226 C TYR A 23 27.761 -10.981 19.409 1.00 14.43 C ATOM 227 O TYR A 23 26.541 -11.170 19.409 1.00 14.90 O ATOM 228 CB TYR A 23 27.905 -9.124 17.781 1.00 12.75 C ATOM 229 CG TYR A 23 28.771 -8.421 16.765 1.00 10.93 C ATOM 230 CD1 TYR A 23 29.799 -7.580 17.194 1.00 10.47 C ATOM 231 CD2 TYR A 23 28.519 -8.629 15.405 1.00 10.57 C ATOM 232 CE1 TYR A 23 30.596 -6.934 16.253 1.00 11.48 C ATOM 233 CE2 TYR A 23 29.325 -7.994 14.445 1.00 12.85 C ATOM 234 CZ TYR A 23 30.357 -7.135 14.880 1.00 12.68 C ATOM 235 OH TYR A 23 31.111 -6.443 13.931 1.00 13.28 O ATOM 236 H TYR A 23 27.537 -11.500 16.628 1.00 0.00 H ATOM 237 HH TYR A 23 31.785 -5.907 14.364 1.00 0.00 H ATOM 238 N SER A 24 28.506 -11.290 20.454 1.00 14.95 N ATOM 239 CA SER A 24 27.891 -11.840 21.647 1.00 15.44 C ATOM 240 C SER A 24 26.988 -10.789 22.310 1.00 14.60 C ATOM 241 O SER A 24 27.161 -9.572 22.138 1.00 13.49 O ATOM 242 CB SER A 24 29.022 -12.287 22.552 1.00 16.73 C ATOM 243 OG SER A 24 29.689 -11.122 23.026 1.00 18.09 O ATOM 244 H SER A 24 29.482 -11.159 20.438 1.00 0.00 H ATOM 245 HG SER A 24 29.081 -10.587 23.544 1.00 0.00 H ATOM 246 N LEU A 25 26.073 -11.296 23.139 1.00 14.34 N ATOM 247 CA LEU A 25 25.084 -10.457 23.799 1.00 13.57 C ATOM 248 C LEU A 25 25.641 -9.267 24.559 1.00 13.35 C ATOM 249 O LEU A 25 25.032 -8.199 24.512 1.00 13.65 O ATOM 250 CB LEU A 25 24.256 -11.296 24.774 1.00 15.96 C ATOM 251 CG LEU A 25 22.854 -10.900 25.226 1.00 15.61 C ATOM 252 CD1 LEU A 25 21.912 -10.605 24.077 1.00 16.87 C ATOM 253 CD2 LEU A 25 22.294 -12.093 25.947 1.00 16.68 C ATOM 254 H LEU A 25 26.073 -12.249 23.321 1.00 0.00 H ATOM 255 N GLY A 26 26.782 -9.377 25.257 1.00 13.34 N ATOM 256 CA GLY A 26 27.366 -8.256 25.977 1.00 12.10 C ATOM 257 C GLY A 26 27.632 -7.100 25.023 1.00 12.42 C ATOM 258 O GLY A 26 27.514 -5.935 25.411 1.00 14.57 O ATOM 259 H GLY A 26 27.245 -10.241 25.293 1.00 0.00 H ATOM 260 N ASN A 27 27.986 -7.342 23.751 1.00 11.98 N ATOM 261 CA ASN A 27 28.215 -6.242 22.792 1.00 12.74 C ATOM 262 C ASN A 27 26.959 -5.412 22.566 1.00 12.93 C ATOM 263 O ASN A 27 26.992 -4.177 22.540 1.00 11.28 O ATOM 264 CB ASN A 27 28.634 -6.733 21.429 1.00 12.68 C ATOM 265 CG ASN A 27 30.052 -7.253 21.440 1.00 13.35 C ATOM 266 OD1 ASN A 27 30.326 -8.458 21.474 1.00 16.86 O ATOM 267 ND2 ASN A 27 31.009 -6.372 21.429 1.00 9.95 N ATOM 268 H ASN A 27 28.055 -8.274 23.444 1.00 0.00 H ATOM 269 HD21 ASN A 27 30.790 -5.444 21.432 1.00 0.00 H ATOM 270 HD22 ASN A 27 31.917 -6.725 21.419 1.00 0.00 H ATOM 271 N TRP A 28 25.822 -6.103 22.443 1.00 12.66 N ATOM 272 CA TRP A 28 24.534 -5.460 22.157 1.00 11.42 C ATOM 273 C TRP A 28 24.067 -4.671 23.365 1.00 11.67 C ATOM 274 O TRP A 28 23.570 -3.557 23.208 1.00 10.87 O ATOM 275 CB TRP A 28 23.496 -6.542 21.756 1.00 10.98 C ATOM 276 CG TRP A 28 23.844 -7.180 20.415 1.00 11.29 C ATOM 277 CD1 TRP A 28 24.383 -8.446 20.339 1.00 12.98 C ATOM 278 CD2 TRP A 28 23.654 -6.604 19.176 1.00 13.32 C ATOM 279 NE1 TRP A 28 24.536 -8.679 19.048 1.00 13.23 N ATOM 280 CE2 TRP A 28 24.115 -7.622 18.317 1.00 13.93 C ATOM 281 CE3 TRP A 28 23.158 -5.395 18.635 1.00 12.67 C ATOM 282 CZ2 TRP A 28 24.081 -7.440 16.925 1.00 15.10 C ATOM 283 CZ3 TRP A 28 23.133 -5.226 17.247 1.00 13.89 C ATOM 284 CH2 TRP A 28 23.590 -6.242 16.405 1.00 14.44 C ATOM 285 H TRP A 28 25.855 -7.076 22.542 1.00 0.00 H ATOM 286 HE1 TRP A 28 24.873 -9.528 18.670 1.00 0.00 H ATOM 287 N VAL A 29 24.260 -5.187 24.591 1.00 11.36 N ATOM 288 CA VAL A 29 23.838 -4.503 25.814 1.00 11.36 C ATOM 289 C VAL A 29 24.718 -3.279 26.049 1.00 10.95 C ATOM 290 O VAL A 29 24.205 -2.210 26.397 1.00 11.41 O ATOM 291 CB VAL A 29 23.898 -5.502 27.027 1.00 12.28 C ATOM 292 CG1 VAL A 29 23.544 -4.821 28.357 1.00 12.64 C ATOM 293 CG2 VAL A 29 22.873 -6.628 26.751 1.00 11.37 C ATOM 294 H VAL A 29 24.695 -6.071 24.670 1.00 0.00 H ATOM 295 N CYS A 30 26.027 -3.418 25.821 1.00 10.27 N ATOM 296 CA CYS A 30 26.967 -2.305 25.922 1.00 11.39 C ATOM 297 C CYS A 30 26.586 -1.177 24.932 1.00 12.13 C ATOM 298 O CYS A 30 26.526 0.001 25.307 1.00 11.97 O ATOM 299 CB CYS A 30 28.390 -2.819 25.617 1.00 10.44 C ATOM 300 SG CYS A 30 29.634 -1.556 25.896 1.00 12.80 S ATOM 301 H CYS A 30 26.374 -4.301 25.570 1.00 0.00 H ATOM 302 N ALA A 31 26.255 -1.536 23.674 1.00 11.13 N ATOM 303 CA ALA A 31 25.874 -0.574 22.652 1.00 12.51 C ATOM 304 C ALA A 31 24.606 0.140 23.052 1.00 11.83 C ATOM 305 O ALA A 31 24.619 1.373 22.998 1.00 12.68 O ATOM 306 CB ALA A 31 25.607 -1.257 21.336 1.00 13.81 C ATOM 307 H ALA A 31 26.289 -2.485 23.424 1.00 0.00 H ATOM 308 N ALA A 32 23.587 -0.577 23.550 1.00 10.90 N ATOM 309 CA ALA A 32 22.352 0.079 24.007 1.00 11.87 C ATOM 310 C ALA A 32 22.568 1.022 25.197 1.00 12.51 C ATOM 311 O ALA A 32 21.966 2.098 25.304 1.00 11.98 O ATOM 312 CB ALA A 32 21.329 -0.939 24.444 1.00 12.55 C ATOM 313 H ALA A 32 23.664 -1.551 23.606 1.00 0.00 H ATOM 314 N LYS A 33 23.497 0.643 26.102 1.00 12.88 N ATOM 315 CA LYS A 33 23.862 1.425 27.291 1.00 13.39 C ATOM 316 C LYS A 33 24.366 2.773 26.881 1.00 12.27 C ATOM 317 O LYS A 33 23.854 3.811 27.276 1.00 14.83 O ATOM 318 CB LYS A 33 24.960 0.700 28.086 1.00 13.86 C ATOM 319 CG LYS A 33 25.665 1.566 29.120 1.00 17.14 C ATOM 320 CD LYS A 33 24.686 1.838 30.221 1.00 20.16 C ATOM 321 CE LYS A 33 25.325 2.714 31.241 1.00 23.08 C ATOM 322 NZ LYS A 33 24.234 3.069 32.114 1.00 26.68 N ATOM 323 H LYS A 33 23.956 -0.214 25.950 1.00 0.00 H ATOM 324 HZ1 LYS A 33 23.818 2.213 32.530 1.00 0.00 H ATOM 325 HZ2 LYS A 33 23.521 3.580 31.558 1.00 0.00 H ATOM 326 HZ3 LYS A 33 24.592 3.690 32.871 1.00 0.00 H ATOM 327 N PHE A 34 25.331 2.785 25.990 1.00 12.42 N ATOM 328 CA PHE A 34 25.955 4.039 25.656 1.00 12.90 C ATOM 329 C PHE A 34 25.230 4.789 24.563 1.00 13.44 C ATOM 330 O PHE A 34 25.418 5.998 24.424 1.00 14.45 O ATOM 331 CB PHE A 34 27.405 3.742 25.286 1.00 13.79 C ATOM 332 CG PHE A 34 28.183 3.318 26.537 1.00 12.92 C ATOM 333 CD1 PHE A 34 28.218 4.162 27.657 1.00 13.38 C ATOM 334 CD2 PHE A 34 28.895 2.114 26.525 1.00 15.71 C ATOM 335 CE1 PHE A 34 28.948 3.774 28.770 1.00 15.37 C ATOM 336 CE2 PHE A 34 29.624 1.733 27.638 1.00 16.82 C ATOM 337 CZ PHE A 34 29.657 2.574 28.749 1.00 17.00 C ATOM 338 H PHE A 34 25.643 1.944 25.570 1.00 0.00 H ATOM 339 N GLU A 35 24.389 4.126 23.790 1.00 11.32 N ATOM 340 CA GLU A 35 23.617 4.825 22.786 1.00 11.53 C ATOM 341 C GLU A 35 22.400 5.503 23.384 1.00 13.38 C ATOM 342 O GLU A 35 22.079 6.623 23.003 1.00 13.83 O ATOM 343 CB GLU A 35 23.114 3.886 21.687 1.00 12.07 C ATOM 344 CG GLU A 35 24.174 3.350 20.706 1.00 11.44 C ATOM 345 CD GLU A 35 24.819 4.443 19.835 1.00 14.86 C ATOM 346 OE1 GLU A 35 24.289 5.566 19.763 1.00 15.23 O ATOM 347 OE2 GLU A 35 25.857 4.175 19.215 1.00 17.01 O ATOM 348 H GLU A 35 24.331 3.156 23.879 1.00 0.00 H ATOM 349 N SER A 36 21.707 4.892 24.327 1.00 11.80 N ATOM 350 CA SER A 36 20.421 5.449 24.764 1.00 11.68 C ATOM 351 C SER A 36 20.207 5.438 26.267 1.00 14.05 C ATOM 352 O SER A 36 19.126 5.817 26.751 1.00 12.92 O ATOM 353 CB SER A 36 19.322 4.640 24.149 1.00 12.34 C ATOM 354 OG SER A 36 19.309 3.316 24.696 1.00 12.25 O ATOM 355 H SER A 36 22.043 4.066 24.720 1.00 0.00 H ATOM 356 HG SER A 36 18.606 2.818 24.289 1.00 0.00 H ATOM 357 N ASN A 37 21.200 4.883 26.998 1.00 12.69 N ATOM 358 CA ASN A 37 21.118 4.643 28.424 1.00 14.26 C ATOM 359 C ASN A 37 19.888 3.746 28.711 1.00 13.78 C ATOM 360 O ASN A 37 19.165 3.876 29.701 1.00 13.88 O ATOM 361 CB ASN A 37 21.067 6.022 29.128 1.00 17.21 C ATOM 362 CG ASN A 37 21.371 5.922 30.607 1.00 21.67 C ATOM 363 OD1 ASN A 37 22.226 5.150 31.047 1.00 25.35 O ATOM 364 ND2 ASN A 37 20.659 6.652 31.449 1.00 26.00 N ATOM 365 H ASN A 37 22.009 4.596 26.536 1.00 0.00 H ATOM 366 HD21 ASN A 37 19.933 7.207 31.094 1.00 0.00 H ATOM 367 HD22 ASN A 37 20.854 6.563 32.401 1.00 0.00 H ATOM 368 N PHE A 38 19.674 2.767 27.800 1.00 13.17 N ATOM 369 CA PHE A 38 18.585 1.772 27.870 1.00 13.56 C ATOM 370 C PHE A 38 17.155 2.346 27.810 1.00 12.92 C ATOM 371 O PHE A 38 16.169 1.709 28.200 1.00 12.08 O ATOM 372 CB PHE A 38 18.675 0.920 29.169 1.00 14.19 C ATOM 373 CG PHE A 38 19.985 0.198 29.396 1.00 14.11 C ATOM 374 CD1 PHE A 38 20.633 -0.437 28.335 1.00 14.69 C ATOM 375 CD2 PHE A 38 20.495 0.142 30.694 1.00 16.33 C ATOM 376 CE1 PHE A 38 21.817 -1.159 28.580 1.00 18.12 C ATOM 377 CE2 PHE A 38 21.674 -0.577 30.934 1.00 17.92 C ATOM 378 CZ PHE A 38 22.335 -1.223 29.878 1.00 17.93 C ATOM 379 H PHE A 38 20.277 2.705 27.033 1.00 0.00 H ATOM 380 N ASN A 39 17.043 3.559 27.296 1.00 11.11 N ATOM 381 CA ASN A 39 15.750 4.223 27.195 1.00 11.77 C ATOM 382 C ASN A 39 15.174 4.043 25.787 1.00 11.54 C ATOM 383 O ASN A 39 15.729 4.591 24.809 1.00 12.16 O ATOM 384 CB ASN A 39 15.971 5.691 27.497 1.00 12.07 C ATOM 385 CG ASN A 39 14.690 6.511 27.542 1.00 13.29 C ATOM 386 OD1 ASN A 39 14.700 7.716 27.813 1.00 19.21 O ATOM 387 ND2 ASN A 39 13.502 5.963 27.324 1.00 11.22 N ATOM 388 H ASN A 39 17.843 4.050 27.011 1.00 0.00 H ATOM 389 HD21 ASN A 39 13.447 5.008 27.145 1.00 0.00 H ATOM 390 HD22 ASN A 39 12.761 6.608 27.365 1.00 0.00 H ATOM 391 N THR A 40 14.018 3.376 25.606 1.00 11.80 N ATOM 392 CA THR A 40 13.406 3.186 24.283 1.00 12.88 C ATOM 393 C THR A 40 12.964 4.471 23.580 1.00 12.46 C ATOM 394 O THR A 40 12.858 4.495 22.365 1.00 13.60 O ATOM 395 CB THR A 40 12.164 2.262 24.337 1.00 13.31 C ATOM 396 OG1 THR A 40 11.176 2.854 25.187 1.00 14.26 O ATOM 397 CG2 THR A 40 12.582 0.868 24.838 1.00 14.49 C ATOM 398 H THR A 40 13.553 2.988 26.370 1.00 0.00 H ATOM 399 HG1 THR A 40 10.396 2.290 25.144 1.00 0.00 H ATOM 400 N GLN A 41 12.731 5.528 24.363 1.00 12.14 N ATOM 401 CA GLN A 41 12.231 6.803 23.872 1.00 12.02 C ATOM 402 C GLN A 41 13.318 7.807 23.469 1.00 13.32 C ATOM 403 O GLN A 41 13.004 8.933 23.029 1.00 14.37 O ATOM 404 CB GLN A 41 11.326 7.436 24.945 1.00 13.30 C ATOM 405 CG GLN A 41 10.060 6.626 25.131 1.00 14.18 C ATOM 406 CD GLN A 41 8.953 7.411 25.821 1.00 15.91 C ATOM 407 OE1 GLN A 41 8.258 8.227 25.217 1.00 17.08 O ATOM 408 NE2 GLN A 41 8.747 7.244 27.110 1.00 15.55 N ATOM 409 H GLN A 41 12.898 5.449 25.313 1.00 0.00 H ATOM 410 HE21 GLN A 41 9.316 6.632 27.612 1.00 0.00 H ATOM 411 HE22 GLN A 41 8.051 7.808 27.503 1.00 0.00 H ATOM 412 N ALA A 42 14.607 7.446 23.593 1.00 12.35 N ATOM 413 CA ALA A 42 15.693 8.390 23.263 1.00 13.58 C ATOM 414 C ALA A 42 15.726 8.789 21.784 1.00 11.83 C ATOM 415 O ALA A 42 15.582 7.975 20.864 1.00 11.07 O ATOM 416 CB ALA A 42 17.064 7.792 23.605 1.00 13.16 C ATOM 417 H ALA A 42 14.829 6.538 23.874 1.00 0.00 H ATOM 418 N THR A 43 15.836 10.081 21.552 1.00 12.58 N ATOM 419 CA THR A 43 15.999 10.598 20.199 1.00 13.83 C ATOM 420 C THR A 43 17.144 11.597 20.180 1.00 14.99 C ATOM 421 O THR A 43 17.386 12.266 21.198 1.00 15.65 O ATOM 422 CB THR A 43 14.746 11.332 19.691 1.00 13.62 C ATOM 423 OG1 THR A 43 14.474 12.429 20.579 1.00 13.95 O ATOM 424 CG2 THR A 43 13.576 10.376 19.542 1.00 13.26 C ATOM 425 H THR A 43 15.807 10.720 22.290 1.00 0.00 H ATOM 426 HG1 THR A 43 14.347 12.079 21.471 1.00 0.00 H ATOM 427 N ASN A 44 17.924 11.702 19.103 1.00 15.18 N ATOM 428 CA ASN A 44 18.912 12.779 19.023 1.00 17.82 C ATOM 429 C ASN A 44 19.013 13.247 17.605 1.00 16.23 C ATOM 430 O ASN A 44 19.087 12.436 16.693 1.00 15.28 O ATOM 431 CB ASN A 44 20.310 12.361 19.401 1.00 23.12 C ATOM 432 CG ASN A 44 21.038 13.502 20.149 1.00 31.25 C ATOM 433 OD1 ASN A 44 20.969 13.653 21.384 1.00 35.24 O ATOM 434 ND2 ASN A 44 21.724 14.415 19.448 1.00 34.68 N ATOM 435 H ASN A 44 17.829 11.064 18.363 1.00 0.00 H ATOM 436 HD21 ASN A 44 21.789 14.324 18.477 1.00 0.00 H ATOM 437 HD22 ASN A 44 22.167 15.117 19.959 1.00 0.00 H ATOM 438 N ARG A 45 19.053 14.548 17.403 1.00 17.27 N ATOM 439 CA ARG A 45 19.097 15.164 16.072 1.00 19.49 C ATOM 440 C ARG A 45 20.538 15.267 15.636 1.00 20.33 C ATOM 441 O ARG A 45 21.400 15.599 16.450 1.00 21.68 O ATOM 442 CB ARG A 45 18.510 16.577 16.094 1.00 20.55 C ATOM 443 CG ARG A 45 18.296 17.194 14.736 1.00 24.71 C ATOM 444 CD ARG A 45 16.944 16.710 14.307 1.00 28.39 C ATOM 445 NE ARG A 45 16.690 16.907 12.901 1.00 34.13 N ATOM 446 CZ ARG A 45 15.968 17.928 12.432 1.00 35.91 C ATOM 447 NH1 ARG A 45 15.456 18.850 13.273 1.00 37.80 N ATOM 448 NH2 ARG A 45 15.682 17.970 11.115 1.00 34.17 N ATOM 449 H ARG A 45 19.001 15.122 18.183 1.00 0.00 H ATOM 450 HE ARG A 45 17.056 16.266 12.258 1.00 0.00 H ATOM 451 HH11 ARG A 45 15.614 18.788 14.258 1.00 0.00 H ATOM 452 HH12 ARG A 45 14.914 19.614 12.912 1.00 0.00 H ATOM 453 HH21 ARG A 45 16.000 17.244 10.510 1.00 0.00 H ATOM 454 HH22 ARG A 45 15.133 18.725 10.751 1.00 0.00 H ATOM 455 N ASN A 46 20.848 14.963 14.397 1.00 19.38 N ATOM 456 CA ASN A 46 22.203 15.079 13.882 1.00 20.97 C ATOM 457 C ASN A 46 22.344 16.376 13.084 1.00 20.83 C ATOM 458 O ASN A 46 21.363 16.953 12.596 1.00 20.72 O ATOM 459 CB ASN A 46 22.508 13.863 12.985 1.00 19.84 C ATOM 460 CG ASN A 46 22.427 12.553 13.741 1.00 18.97 C ATOM 461 OD1 ASN A 46 21.731 11.601 13.414 1.00 21.73 O ATOM 462 ND2 ASN A 46 23.143 12.460 14.818 1.00 21.06 N ATOM 463 H ASN A 46 20.135 14.652 13.801 1.00 0.00 H ATOM 464 HD21 ASN A 46 23.710 13.211 15.107 1.00 0.00 H ATOM 465 HD22 ASN A 46 23.130 11.617 15.305 1.00 0.00 H ATOM 466 N THR A 47 23.577 16.843 12.862 1.00 23.28 N ATOM 467 CA THR A 47 23.819 18.073 12.076 1.00 25.81 C ATOM 468 C THR A 47 23.321 18.011 10.633 1.00 25.00 C ATOM 469 O THR A 47 22.894 19.032 10.111 1.00 26.83 O ATOM 470 CB THR A 47 25.341 18.413 12.091 1.00 28.34 C ATOM 471 OG1 THR A 47 26.090 17.227 11.742 1.00 31.78 O ATOM 472 CG2 THR A 47 25.747 18.911 13.476 1.00 27.85 C ATOM 473 H THR A 47 24.345 16.402 13.270 1.00 0.00 H ATOM 474 HG1 THR A 47 25.903 16.992 10.822 1.00 0.00 H ATOM 475 N ASP A 48 23.296 16.841 9.984 1.00 23.74 N ATOM 476 CA ASP A 48 22.775 16.748 8.633 1.00 23.45 C ATOM 477 C ASP A 48 21.238 16.782 8.621 1.00 22.81 C ATOM 478 O ASP A 48 20.639 16.579 7.563 1.00 25.62 O ATOM 479 CB ASP A 48 23.294 15.451 7.964 1.00 23.85 C ATOM 480 CG ASP A 48 22.869 14.119 8.601 1.00 26.10 C ATOM 481 OD1 ASP A 48 22.217 14.110 9.648 1.00 25.34 O ATOM 482 OD2 ASP A 48 23.180 13.063 8.045 1.00 26.89 O ATOM 483 H ASP A 48 23.627 16.030 10.401 1.00 0.00 H ATOM 484 N GLY A 49 20.528 16.979 9.749 1.00 22.21 N ATOM 485 CA GLY A 49 19.061 17.011 9.772 1.00 19.46 C ATOM 486 C GLY A 49 18.406 15.634 9.998 1.00 19.42 C ATOM 487 O GLY A 49 17.191 15.570 10.223 1.00 19.39 O ATOM 488 H GLY A 49 21.002 17.146 10.585 1.00 0.00 H ATOM 489 N SER A 50 19.141 14.503 9.947 1.00 16.46 N ATOM 490 CA SER A 50 18.526 13.222 10.266 1.00 15.46 C ATOM 491 C SER A 50 18.398 13.105 11.816 1.00 13.78 C ATOM 492 O SER A 50 18.981 13.916 12.564 1.00 14.63 O ATOM 493 CB SER A 50 19.399 12.116 9.722 1.00 15.50 C ATOM 494 OG SER A 50 20.645 12.037 10.419 1.00 15.53 O ATOM 495 H SER A 50 20.081 14.529 9.698 1.00 0.00 H ATOM 496 HG SER A 50 20.468 11.850 11.348 1.00 0.00 H ATOM 497 N THR A 51 17.715 12.087 12.336 1.00 12.11 N ATOM 498 CA THR A 51 17.559 11.919 13.780 1.00 10.63 C ATOM 499 C THR A 51 17.808 10.439 14.050 1.00 11.22 C ATOM 500 O THR A 51 17.562 9.589 13.164 1.00 11.01 O ATOM 501 CB THR A 51 16.134 12.317 14.200 1.00 10.95 C ATOM 502 OG1 THR A 51 15.978 13.688 13.817 1.00 12.11 O ATOM 503 CG2 THR A 51 15.875 12.231 15.703 1.00 11.31 C ATOM 504 H THR A 51 17.324 11.421 11.739 1.00 0.00 H ATOM 505 HG1 THR A 51 15.086 13.980 14.058 1.00 0.00 H ATOM 506 N ASP A 52 18.382 10.149 15.212 1.00 10.33 N ATOM 507 CA ASP A 52 18.576 8.784 15.714 1.00 11.63 C ATOM 508 C ASP A 52 17.479 8.436 16.716 1.00 11.43 C ATOM 509 O ASP A 52 17.079 9.248 17.562 1.00 12.37 O ATOM 510 CB ASP A 52 19.916 8.637 16.414 1.00 14.09 C ATOM 511 CG ASP A 52 21.102 9.006 15.528 1.00 18.44 C ATOM 512 OD1 ASP A 52 21.070 8.717 14.339 1.00 17.69 O ATOM 513 OD2 ASP A 52 22.037 9.616 16.038 1.00 22.97 O ATOM 514 H ASP A 52 18.704 10.879 15.772 1.00 0.00 H ATOM 515 N TYR A 53 16.994 7.211 16.645 1.00 11.18 N ATOM 516 CA TYR A 53 15.799 6.785 17.378 1.00 12.14 C ATOM 517 C TYR A 53 15.952 5.479 18.141 1.00 11.33 C ATOM 518 O TYR A 53 16.403 4.466 17.597 1.00 11.36 O ATOM 519 CB TYR A 53 14.615 6.547 16.438 1.00 12.24 C ATOM 520 CG TYR A 53 14.133 7.789 15.728 1.00 11.72 C ATOM 521 CD1 TYR A 53 14.781 8.222 14.555 1.00 11.69 C ATOM 522 CD2 TYR A 53 13.031 8.501 16.250 1.00 12.58 C ATOM 523 CE1 TYR A 53 14.344 9.389 13.914 1.00 12.13 C ATOM 524 CE2 TYR A 53 12.595 9.673 15.609 1.00 11.18 C ATOM 525 CZ TYR A 53 13.249 10.099 14.433 1.00 12.78 C ATOM 526 OH TYR A 53 12.835 11.232 13.768 1.00 13.53 O ATOM 527 H TYR A 53 17.441 6.546 16.077 1.00 0.00 H ATOM 528 HH TYR A 53 13.438 11.343 13.043 1.00 0.00 H ATOM 529 N GLY A 54 15.528 5.554 19.391 1.00 11.09 N ATOM 530 CA GLY A 54 15.313 4.366 20.196 1.00 12.39 C ATOM 531 C GLY A 54 16.548 3.841 20.907 1.00 12.38 C ATOM 532 O GLY A 54 17.600 4.477 20.912 1.00 12.04 O ATOM 533 H GLY A 54 15.342 6.431 19.783 1.00 0.00 H ATOM 534 N ILE A 55 16.400 2.659 21.482 1.00 12.03 N ATOM 535 CA ILE A 55 17.394 2.012 22.282 1.00 14.08 C ATOM 536 C ILE A 55 18.731 1.831 21.570 1.00 13.44 C ATOM 537 O ILE A 55 19.773 1.881 22.223 1.00 14.03 O ATOM 538 CB ILE A 55 16.742 0.685 22.776 1.00 16.07 C ATOM 539 CG1 ILE A 55 17.565 0.308 23.977 1.00 19.08 C ATOM 540 CG2 ILE A 55 16.615 -0.418 21.702 1.00 16.12 C ATOM 541 CD1 ILE A 55 16.748 -0.127 25.191 1.00 22.18 C ATOM 542 H ILE A 55 15.560 2.200 21.329 1.00 0.00 H ATOM 543 N LEU A 56 18.713 1.619 20.252 1.00 11.87 N ATOM 544 CA LEU A 56 19.958 1.504 19.543 1.00 13.07 C ATOM 545 C LEU A 56 20.184 2.668 18.584 1.00 13.45 C ATOM 546 O LEU A 56 21.067 2.595 17.721 1.00 12.48 O ATOM 547 CB LEU A 56 19.981 0.193 18.808 1.00 15.00 C ATOM 548 CG LEU A 56 20.241 -1.023 19.702 1.00 16.48 C ATOM 549 CD1 LEU A 56 19.874 -2.278 18.907 1.00 20.25 C ATOM 550 CD2 LEU A 56 21.683 -1.019 20.185 1.00 18.03 C ATOM 551 H LEU A 56 17.854 1.542 19.767 1.00 0.00 H ATOM 552 N GLN A 57 19.404 3.774 18.739 1.00 12.14 N ATOM 553 CA GLN A 57 19.635 5.023 18.036 1.00 11.59 C ATOM 554 C GLN A 57 19.830 4.873 16.520 1.00 12.27 C ATOM 555 O GLN A 57 20.820 5.311 15.906 1.00 13.45 O ATOM 556 CB GLN A 57 20.855 5.694 18.678 1.00 12.22 C ATOM 557 CG GLN A 57 20.556 6.240 20.069 1.00 12.24 C ATOM 558 CD GLN A 57 19.611 7.425 20.050 1.00 13.65 C ATOM 559 OE1 GLN A 57 20.045 8.555 19.847 1.00 14.60 O ATOM 560 NE2 GLN A 57 18.304 7.233 20.185 1.00 12.42 N ATOM 561 H GLN A 57 18.664 3.726 19.374 1.00 0.00 H ATOM 562 HE21 GLN A 57 17.959 6.320 20.328 1.00 0.00 H ATOM 563 HE22 GLN A 57 17.719 8.019 20.148 1.00 0.00 H ATOM 564 N ILE A 58 18.836 4.239 15.910 1.00 12.14 N ATOM 565 CA ILE A 58 18.854 3.980 14.494 1.00 12.98 C ATOM 566 C ILE A 58 18.528 5.265 13.760 1.00 12.67 C ATOM 567 O ILE A 58 17.628 6.011 14.128 1.00 12.98 O ATOM 568 CB ILE A 58 17.859 2.834 14.276 1.00 14.39 C ATOM 569 CG1 ILE A 58 18.484 1.562 14.885 1.00 13.26 C ATOM 570 CG2 ILE A 58 17.510 2.664 12.770 1.00 15.51 C ATOM 571 CD1 ILE A 58 17.506 0.395 14.800 1.00 16.82 C ATOM 572 H ILE A 58 18.035 3.995 16.431 1.00 0.00 H ATOM 573 N ASN A 59 19.315 5.539 12.737 1.00 13.50 N ATOM 574 CA ASN A 59 19.295 6.786 11.980 1.00 15.12 C ATOM 575 C ASN A 59 18.282 6.883 10.847 1.00 14.38 C ATOM 576 O ASN A 59 18.171 5.954 10.041 1.00 15.83 O ATOM 577 CB ASN A 59 20.717 7.023 11.442 1.00 17.96 C ATOM 578 CG ASN A 59 20.842 8.403 10.831 1.00 19.14 C ATOM 579 OD1 ASN A 59 20.850 8.534 9.619 1.00 21.29 O ATOM 580 ND2 ASN A 59 20.881 9.472 11.583 1.00 18.99 N ATOM 581 H ASN A 59 19.899 4.844 12.450 1.00 0.00 H ATOM 582 HD21 ASN A 59 20.827 9.396 12.543 1.00 0.00 H ATOM 583 HD22 ASN A 59 21.012 10.332 11.141 1.00 0.00 H ATOM 584 N SER A 60 17.639 8.026 10.704 1.00 13.04 N ATOM 585 CA SER A 60 16.580 8.216 9.723 1.00 14.52 C ATOM 586 C SER A 60 17.117 8.490 8.338 1.00 15.75 C ATOM 587 O SER A 60 16.344 8.519 7.385 1.00 16.62 O ATOM 588 CB SER A 60 15.685 9.391 10.130 1.00 13.63 C ATOM 589 OG SER A 60 16.456 10.590 10.192 1.00 14.04 O ATOM 590 H SER A 60 17.845 8.770 11.299 1.00 0.00 H ATOM 591 HG SER A 60 15.849 11.315 10.418 1.00 0.00 H ATOM 592 N ARG A 61 18.363 8.779 8.089 1.00 16.23 N ATOM 593 CA ARG A 61 18.834 8.951 6.713 1.00 20.19 C ATOM 594 C ARG A 61 18.763 7.650 5.915 1.00 19.36 C ATOM 595 O ARG A 61 18.410 7.638 4.732 1.00 19.87 O ATOM 596 CB ARG A 61 20.236 9.507 6.840 1.00 24.58 C ATOM 597 CG ARG A 61 21.318 9.493 5.755 1.00 33.48 C ATOM 598 CD ARG A 61 21.008 10.391 4.582 1.00 38.91 C ATOM 599 NE ARG A 61 20.198 9.692 3.587 1.00 45.79 N ATOM 600 CZ ARG A 61 20.684 9.299 2.389 1.00 47.04 C ATOM 601 NH1 ARG A 61 21.958 9.521 2.014 1.00 50.08 N ATOM 602 NH2 ARG A 61 19.872 8.704 1.508 1.00 49.41 N ATOM 603 H ARG A 61 18.949 8.878 8.845 1.00 0.00 H ATOM 604 HE ARG A 61 19.266 9.501 3.798 1.00 0.00 H ATOM 605 HH11 ARG A 61 22.592 9.988 2.632 1.00 0.00 H ATOM 606 HH12 ARG A 61 22.283 9.207 1.120 1.00 0.00 H ATOM 607 HH21 ARG A 61 18.913 8.553 1.739 1.00 0.00 H ATOM 608 HH22 ARG A 61 20.228 8.408 0.620 1.00 0.00 H ATOM 609 N TRP A 62 19.054 6.520 6.555 1.00 18.90 N ATOM 610 CA TRP A 62 19.047 5.241 5.856 1.00 19.40 C ATOM 611 C TRP A 62 17.994 4.246 6.257 1.00 16.82 C ATOM 612 O TRP A 62 17.534 3.472 5.423 1.00 18.31 O ATOM 613 CB TRP A 62 20.345 4.472 6.011 1.00 22.76 C ATOM 614 CG TRP A 62 21.524 5.201 5.429 1.00 29.69 C ATOM 615 CD1 TRP A 62 22.357 5.967 6.204 1.00 33.22 C ATOM 616 CD2 TRP A 62 21.884 5.170 4.115 1.00 35.13 C ATOM 617 NE1 TRP A 62 23.263 6.431 5.374 1.00 34.42 N ATOM 618 CE2 TRP A 62 23.026 5.981 4.129 1.00 36.58 C ATOM 619 CE3 TRP A 62 21.428 4.578 2.934 1.00 38.81 C ATOM 620 CZ2 TRP A 62 23.738 6.213 2.953 1.00 39.08 C ATOM 621 CZ3 TRP A 62 22.142 4.808 1.752 1.00 40.00 C ATOM 622 CH2 TRP A 62 23.286 5.618 1.769 1.00 40.50 C ATOM 623 H TRP A 62 19.272 6.551 7.509 1.00 0.00 H ATOM 624 HE1 TRP A 62 24.000 7.024 5.624 1.00 0.00 H ATOM 625 N TRP A 63 17.566 4.234 7.516 1.00 15.03 N ATOM 626 CA TRP A 63 16.869 3.062 8.020 1.00 14.61 C ATOM 627 C TRP A 63 15.398 3.136 8.307 1.00 14.45 C ATOM 628 O TRP A 63 14.718 2.105 8.294 1.00 15.30 O ATOM 629 CB TRP A 63 17.606 2.577 9.293 1.00 15.16 C ATOM 630 CG TRP A 63 19.082 2.279 9.027 1.00 15.76 C ATOM 631 CD1 TRP A 63 20.091 3.112 9.459 1.00 16.96 C ATOM 632 CD2 TRP A 63 19.552 1.238 8.271 1.00 15.09 C ATOM 633 NE1 TRP A 63 21.207 2.612 8.968 1.00 15.80 N ATOM 634 CE2 TRP A 63 20.938 1.510 8.249 1.00 16.63 C ATOM 635 CE3 TRP A 63 19.009 0.122 7.609 1.00 15.50 C ATOM 636 CZ2 TRP A 63 21.812 0.659 7.546 1.00 16.86 C ATOM 637 CZ3 TRP A 63 19.889 -0.724 6.912 1.00 15.11 C ATOM 638 CH2 TRP A 63 21.273 -0.451 6.880 1.00 15.98 C ATOM 639 H TRP A 63 17.731 5.008 8.092 1.00 0.00 H ATOM 640 HE1 TRP A 63 22.099 2.980 9.134 1.00 0.00 H ATOM 641 N CYS A 64 14.882 4.315 8.595 1.00 13.72 N ATOM 642 CA CYS A 64 13.463 4.434 8.916 1.00 14.67 C ATOM 643 C CYS A 64 12.897 5.728 8.370 1.00 14.77 C ATOM 644 O CYS A 64 13.651 6.650 8.048 1.00 15.09 O ATOM 645 CB CYS A 64 13.236 4.383 10.438 1.00 13.72 C ATOM 646 SG CYS A 64 14.074 5.677 11.400 1.00 13.33 S ATOM 647 H CYS A 64 15.438 5.119 8.591 1.00 0.00 H ATOM 648 N ASN A 65 11.590 5.853 8.253 1.00 14.16 N ATOM 649 CA ASN A 65 11.032 7.078 7.758 1.00 15.10 C ATOM 650 C ASN A 65 10.464 7.950 8.871 1.00 13.19 C ATOM 651 O ASN A 65 9.617 7.479 9.648 1.00 13.06 O ATOM 652 CB ASN A 65 9.931 6.754 6.759 1.00 19.12 C ATOM 653 CG ASN A 65 9.286 8.068 6.308 1.00 23.42 C ATOM 654 OD1 ASN A 65 8.104 8.320 6.543 1.00 28.48 O ATOM 655 ND2 ASN A 65 10.046 9.012 5.786 1.00 22.97 N ATOM 656 H ASN A 65 11.004 5.110 8.493 1.00 0.00 H ATOM 657 HD21 ASN A 65 11.005 8.838 5.653 1.00 0.00 H ATOM 658 HD22 ASN A 65 9.602 9.823 5.480 1.00 0.00 H ATOM 659 N ASP A 66 10.910 9.198 8.956 1.00 12.56 N ATOM 660 CA ASP A 66 10.299 10.076 9.943 1.00 13.83 C ATOM 661 C ASP A 66 9.629 11.274 9.277 1.00 15.50 C ATOM 662 O ASP A 66 9.208 12.206 9.953 1.00 17.21 O ATOM 663 CB ASP A 66 11.324 10.574 10.940 1.00 13.31 C ATOM 664 CG ASP A 66 12.489 11.408 10.423 1.00 13.82 C ATOM 665 OD1 ASP A 66 12.552 11.754 9.241 1.00 14.09 O ATOM 666 OD2 ASP A 66 13.371 11.713 11.222 1.00 14.04 O ATOM 667 H ASP A 66 11.645 9.512 8.386 1.00 0.00 H ATOM 668 N GLY A 67 9.613 11.316 7.954 1.00 15.94 N ATOM 669 CA GLY A 67 8.913 12.380 7.253 1.00 17.80 C ATOM 670 C GLY A 67 9.616 13.706 7.256 1.00 18.25 C ATOM 671 O GLY A 67 9.086 14.666 6.703 1.00 21.98 O ATOM 672 H GLY A 67 10.089 10.627 7.448 1.00 0.00 H ATOM 673 N ARG A 68 10.838 13.814 7.756 1.00 17.34 N ATOM 674 CA ARG A 68 11.504 15.099 7.728 1.00 19.62 C ATOM 675 C ARG A 68 12.984 14.951 7.396 1.00 20.52 C ATOM 676 O ARG A 68 13.755 15.871 7.640 1.00 22.04 O ATOM 677 CB ARG A 68 11.302 15.809 9.083 1.00 19.01 C ATOM 678 CG ARG A 68 11.893 15.036 10.238 1.00 20.88 C ATOM 679 CD ARG A 68 11.860 15.900 11.471 1.00 22.93 C ATOM 680 NE ARG A 68 12.898 15.618 12.473 1.00 23.22 N ATOM 681 CZ ARG A 68 12.938 16.218 13.688 1.00 24.10 C ATOM 682 NH1 ARG A 68 11.997 17.124 14.040 1.00 25.13 N ATOM 683 NH2 ARG A 68 13.848 15.819 14.602 1.00 19.15 N ATOM 684 H ARG A 68 11.289 13.049 8.142 1.00 0.00 H ATOM 685 HE ARG A 68 13.612 14.991 12.250 1.00 0.00 H ATOM 686 HH11 ARG A 68 11.275 17.383 13.403 1.00 0.00 H ATOM 687 HH12 ARG A 68 12.036 17.550 14.944 1.00 0.00 H ATOM 688 HH21 ARG A 68 14.479 15.084 14.369 1.00 0.00 H ATOM 689 HH22 ARG A 68 13.861 16.238 15.508 1.00 0.00 H ATOM 690 N THR A 69 13.461 13.844 6.815 1.00 20.78 N ATOM 691 CA THR A 69 14.879 13.768 6.463 1.00 22.69 C ATOM 692 C THR A 69 14.864 13.730 4.942 1.00 27.10 C ATOM 693 O THR A 69 14.654 12.664 4.373 1.00 27.30 O ATOM 694 CB THR A 69 15.556 12.475 7.040 1.00 20.34 C ATOM 695 OG1 THR A 69 15.221 12.403 8.429 1.00 18.41 O ATOM 696 CG2 THR A 69 17.085 12.487 6.888 1.00 17.92 C ATOM 697 H THR A 69 12.873 13.081 6.676 1.00 0.00 H ATOM 698 HG1 THR A 69 14.284 12.368 8.526 1.00 0.00 H ATOM 699 N PRO A 70 14.914 14.850 4.210 1.00 31.17 N ATOM 700 CA PRO A 70 14.781 14.859 2.750 1.00 32.76 C ATOM 701 C PRO A 70 15.815 13.978 2.055 1.00 33.40 C ATOM 702 O PRO A 70 17.008 13.951 2.375 1.00 32.66 O ATOM 703 CB PRO A 70 14.901 16.325 2.333 1.00 34.41 C ATOM 704 CG PRO A 70 15.030 17.159 3.607 1.00 34.90 C ATOM 705 CD PRO A 70 15.174 16.175 4.769 1.00 33.05 C ATOM 706 N GLY A 71 15.297 13.189 1.118 1.00 34.86 N ATOM 707 CA GLY A 71 16.160 12.311 0.335 1.00 36.46 C ATOM 708 C GLY A 71 16.743 11.110 1.084 1.00 36.36 C ATOM 709 O GLY A 71 17.762 10.569 0.661 1.00 37.66 O ATOM 710 H GLY A 71 14.329 13.164 0.985 1.00 0.00 H ATOM 711 N SER A 72 16.072 10.626 2.126 1.00 35.73 N ATOM 712 CA SER A 72 16.534 9.503 2.917 1.00 34.55 C ATOM 713 C SER A 72 15.957 8.158 2.480 1.00 33.42 C ATOM 714 O SER A 72 14.879 8.121 1.864 1.00 32.57 O ATOM 715 CB SER A 72 16.170 9.805 4.340 1.00 34.99 C ATOM 716 OG SER A 72 14.758 10.010 4.471 1.00 36.09 O ATOM 717 H SER A 72 15.224 11.038 2.384 1.00 0.00 H ATOM 718 HG SER A 72 14.361 9.165 4.228 1.00 0.00 H ATOM 719 N ARG A 73 16.631 7.029 2.700 1.00 31.46 N ATOM 720 CA ARG A 73 16.026 5.732 2.404 1.00 30.86 C ATOM 721 C ARG A 73 15.350 5.211 3.676 1.00 29.09 C ATOM 722 O ARG A 73 15.563 5.674 4.807 1.00 30.45 O ATOM 723 CB ARG A 73 17.047 4.715 1.989 1.00 32.32 C ATOM 724 CG ARG A 73 17.831 5.061 0.750 1.00 38.96 C ATOM 725 CD ARG A 73 18.622 3.790 0.451 1.00 44.43 C ATOM 726 NE ARG A 73 19.573 3.939 -0.644 1.00 48.20 N ATOM 727 CZ ARG A 73 20.360 2.939 -1.085 1.00 49.79 C ATOM 728 NH1 ARG A 73 20.336 1.701 -0.557 1.00 50.68 N ATOM 729 NH2 ARG A 73 21.240 3.208 -2.058 1.00 51.00 N ATOM 730 H ARG A 73 17.531 7.071 3.085 1.00 0.00 H ATOM 731 HE ARG A 73 19.657 4.812 -1.076 1.00 0.00 H ATOM 732 HH11 ARG A 73 19.712 1.485 0.195 1.00 0.00 H ATOM 733 HH12 ARG A 73 20.937 0.987 -0.921 1.00 0.00 H ATOM 734 HH21 ARG A 73 21.302 4.134 -2.427 1.00 0.00 H ATOM 735 HH22 ARG A 73 21.840 2.486 -2.404 1.00 0.00 H ATOM 736 N ASN A 74 14.510 4.208 3.510 1.00 25.31 N ATOM 737 CA ASN A 74 13.812 3.636 4.638 1.00 21.30 C ATOM 738 C ASN A 74 14.076 2.149 4.519 1.00 19.43 C ATOM 739 O ASN A 74 13.162 1.365 4.267 1.00 19.18 O ATOM 740 CB ASN A 74 12.332 3.995 4.516 1.00 18.41 C ATOM 741 CG ASN A 74 11.452 3.376 5.593 1.00 17.36 C ATOM 742 OD1 ASN A 74 11.896 2.807 6.582 1.00 17.52 O ATOM 743 ND2 ASN A 74 10.146 3.393 5.452 1.00 18.52 N ATOM 744 H ASN A 74 14.388 3.829 2.619 1.00 0.00 H ATOM 745 HD21 ASN A 74 9.735 3.785 4.667 1.00 0.00 H ATOM 746 HD22 ASN A 74 9.620 2.969 6.163 1.00 0.00 H ATOM 747 N LEU A 75 15.337 1.738 4.682 1.00 19.23 N ATOM 748 CA LEU A 75 15.694 0.337 4.466 1.00 19.98 C ATOM 749 C LEU A 75 15.089 -0.697 5.413 1.00 18.82 C ATOM 750 O LEU A 75 14.958 -1.860 5.030 1.00 19.08 O ATOM 751 CB LEU A 75 17.235 0.245 4.442 1.00 21.14 C ATOM 752 CG LEU A 75 17.918 0.996 3.281 1.00 22.14 C ATOM 753 CD1 LEU A 75 19.403 1.169 3.508 1.00 23.17 C ATOM 754 CD2 LEU A 75 17.684 0.219 2.011 1.00 25.45 C ATOM 755 H LEU A 75 16.029 2.388 4.933 1.00 0.00 H ATOM 756 N CYS A 76 14.658 -0.347 6.631 1.00 17.14 N ATOM 757 CA CYS A 76 13.960 -1.291 7.496 1.00 17.06 C ATOM 758 C CYS A 76 12.454 -1.292 7.286 1.00 18.63 C ATOM 759 O CYS A 76 11.730 -2.047 7.929 1.00 18.41 O ATOM 760 CB CYS A 76 14.269 -0.977 8.957 1.00 15.38 C ATOM 761 SG CYS A 76 16.005 -1.401 9.295 1.00 17.22 S ATOM 762 H CYS A 76 14.823 0.549 6.974 1.00 0.00 H ATOM 763 N ASN A 77 11.952 -0.430 6.394 1.00 20.09 N ATOM 764 CA ASN A 77 10.521 -0.342 6.064 1.00 23.19 C ATOM 765 C ASN A 77 9.608 -0.134 7.265 1.00 21.97 C ATOM 766 O ASN A 77 8.613 -0.836 7.495 1.00 20.82 O ATOM 767 CB ASN A 77 10.048 -1.607 5.296 1.00 27.94 C ATOM 768 CG ASN A 77 10.794 -1.715 3.972 1.00 35.14 C ATOM 769 OD1 ASN A 77 11.520 -2.684 3.735 1.00 40.48 O ATOM 770 ND2 ASN A 77 10.705 -0.742 3.061 1.00 39.72 N ATOM 771 H ASN A 77 12.570 0.160 5.928 1.00 0.00 H ATOM 772 HD21 ASN A 77 10.169 0.043 3.263 1.00 0.00 H ATOM 773 HD22 ASN A 77 11.211 -0.875 2.229 1.00 0.00 H ATOM 774 N ILE A 78 9.941 0.945 7.990 1.00 19.06 N ATOM 775 CA ILE A 78 9.258 1.279 9.220 1.00 19.04 C ATOM 776 C ILE A 78 9.253 2.797 9.436 1.00 17.98 C ATOM 777 O ILE A 78 10.181 3.533 9.063 1.00 17.22 O ATOM 778 CB ILE A 78 9.906 0.697 10.510 1.00 18.93 C ATOM 779 CG1 ILE A 78 11.396 0.919 10.441 1.00 19.81 C ATOM 780 CG2 ILE A 78 9.435 -0.723 10.732 1.00 22.35 C ATOM 781 CD1 ILE A 78 12.017 0.609 11.795 1.00 23.60 C ATOM 782 H ILE A 78 10.680 1.509 7.686 1.00 0.00 H ATOM 783 N PRO A 79 8.211 3.337 10.067 1.00 17.37 N ATOM 784 CA PRO A 79 8.253 4.697 10.605 1.00 16.59 C ATOM 785 C PRO A 79 9.219 4.708 11.782 1.00 15.01 C ATOM 786 O PRO A 79 9.255 3.768 12.600 1.00 14.89 O ATOM 787 CB PRO A 79 6.825 4.999 10.985 1.00 16.58 C ATOM 788 CG PRO A 79 6.241 3.633 11.318 1.00 19.67 C ATOM 789 CD PRO A 79 6.990 2.609 10.456 1.00 18.44 C ATOM 790 N CYS A 80 9.978 5.797 11.896 1.00 14.65 N ATOM 791 CA CYS A 80 10.953 5.895 12.976 1.00 13.61 C ATOM 792 C CYS A 80 10.306 5.825 14.366 1.00 14.71 C ATOM 793 O CYS A 80 10.897 5.260 15.308 1.00 15.26 O ATOM 794 CB CYS A 80 11.720 7.189 12.781 1.00 14.96 C ATOM 795 SG CYS A 80 12.770 7.236 11.287 1.00 13.42 S ATOM 796 H CYS A 80 9.902 6.533 11.255 1.00 0.00 H ATOM 797 N SER A 81 9.043 6.260 14.513 1.00 13.71 N ATOM 798 CA SER A 81 8.329 6.175 15.796 1.00 14.95 C ATOM 799 C SER A 81 8.190 4.745 16.320 1.00 15.17 C ATOM 800 O SER A 81 8.173 4.505 17.544 1.00 16.61 O ATOM 801 CB SER A 81 6.920 6.751 15.679 1.00 14.00 C ATOM 802 OG SER A 81 6.228 6.130 14.596 1.00 17.30 O ATOM 803 H SER A 81 8.588 6.656 13.743 1.00 0.00 H ATOM 804 HG SER A 81 6.717 6.294 13.790 1.00 0.00 H ATOM 805 N ALA A 82 8.137 3.774 15.388 1.00 15.25 N ATOM 806 CA ALA A 82 8.053 2.356 15.737 1.00 17.06 C ATOM 807 C ALA A 82 9.255 1.945 16.588 1.00 17.01 C ATOM 808 O ALA A 82 9.173 1.066 17.444 1.00 18.29 O ATOM 809 CB ALA A 82 8.047 1.503 14.473 1.00 17.50 C ATOM 810 H ALA A 82 8.140 4.021 14.439 1.00 0.00 H ATOM 811 N LEU A 83 10.405 2.584 16.404 1.00 16.40 N ATOM 812 CA LEU A 83 11.621 2.274 17.152 1.00 16.32 C ATOM 813 C LEU A 83 11.632 2.823 18.550 1.00 15.75 C ATOM 814 O LEU A 83 12.600 2.590 19.265 1.00 16.59 O ATOM 815 CB LEU A 83 12.827 2.821 16.420 1.00 15.88 C ATOM 816 CG LEU A 83 13.034 2.288 14.999 1.00 18.12 C ATOM 817 CD1 LEU A 83 14.204 3.008 14.352 1.00 19.20 C ATOM 818 CD2 LEU A 83 13.224 0.780 15.057 1.00 17.50 C ATOM 819 H LEU A 83 10.438 3.310 15.743 1.00 0.00 H ATOM 820 N LEU A 84 10.591 3.556 18.954 1.00 14.87 N ATOM 821 CA LEU A 84 10.553 4.140 20.286 1.00 15.85 C ATOM 822 C LEU A 84 9.665 3.393 21.269 1.00 18.41 C ATOM 823 O LEU A 84 9.525 3.745 22.444 1.00 18.94 O ATOM 824 CB LEU A 84 10.075 5.573 20.211 1.00 16.05 C ATOM 825 CG LEU A 84 10.859 6.478 19.272 1.00 18.11 C ATOM 826 CD1 LEU A 84 10.305 7.876 19.332 1.00 18.85 C ATOM 827 CD2 LEU A 84 12.301 6.570 19.717 1.00 15.38 C ATOM 828 H LEU A 84 9.849 3.718 18.345 1.00 0.00 H ATOM 829 N SER A 85 9.052 2.328 20.770 1.00 19.24 N ATOM 830 CA SER A 85 8.159 1.474 21.536 1.00 20.40 C ATOM 831 C SER A 85 8.773 0.804 22.749 1.00 19.98 C ATOM 832 O SER A 85 9.973 0.533 22.788 1.00 20.82 O ATOM 833 CB SER A 85 7.638 0.433 20.555 1.00 20.72 C ATOM 834 OG SER A 85 6.787 -0.542 21.140 1.00 26.04 O ATOM 835 H SER A 85 9.231 2.104 19.837 1.00 0.00 H ATOM 836 HG SER A 85 6.005 -0.098 21.494 1.00 0.00 H ATOM 837 N SER A 86 7.979 0.432 23.747 1.00 20.45 N ATOM 838 CA SER A 86 8.509 -0.411 24.829 1.00 22.08 C ATOM 839 C SER A 86 8.861 -1.840 24.324 1.00 21.87 C ATOM 840 O SER A 86 9.684 -2.559 24.905 1.00 23.64 O ATOM 841 CB SER A 86 7.464 -0.475 25.942 1.00 24.21 C ATOM 842 OG SER A 86 6.173 -0.734 25.386 1.00 28.18 O ATOM 843 H SER A 86 7.035 0.689 23.745 1.00 0.00 H ATOM 844 HG SER A 86 6.160 -1.595 24.956 1.00 0.00 H ATOM 845 N ASP A 87 8.203 -2.276 23.244 1.00 20.46 N ATOM 846 CA ASP A 87 8.484 -3.562 22.634 1.00 21.48 C ATOM 847 C ASP A 87 9.690 -3.373 21.709 1.00 20.43 C ATOM 848 O ASP A 87 9.565 -2.735 20.654 1.00 20.86 O ATOM 849 CB ASP A 87 7.260 -4.009 21.840 1.00 23.57 C ATOM 850 CG ASP A 87 7.328 -5.384 21.142 1.00 27.99 C ATOM 851 OD1 ASP A 87 8.402 -5.913 20.870 1.00 26.52 O ATOM 852 OD2 ASP A 87 6.274 -5.956 20.870 1.00 30.70 O ATOM 853 H ASP A 87 7.516 -1.716 22.834 1.00 0.00 H ATOM 854 N ILE A 88 10.817 -4.016 21.979 1.00 18.91 N ATOM 855 CA ILE A 88 12.002 -3.752 21.174 1.00 16.81 C ATOM 856 C ILE A 88 12.048 -4.505 19.862 1.00 17.49 C ATOM 857 O ILE A 88 13.057 -4.389 19.136 1.00 15.42 O ATOM 858 CB ILE A 88 13.279 -4.095 21.961 1.00 17.62 C ATOM 859 CG1 ILE A 88 13.341 -5.626 22.311 1.00 17.93 C ATOM 860 CG2 ILE A 88 13.327 -3.127 23.155 1.00 17.93 C ATOM 861 CD1 ILE A 88 14.715 -6.081 22.787 1.00 18.98 C ATOM 862 H ILE A 88 10.848 -4.648 22.732 1.00 0.00 H ATOM 863 N THR A 89 11.015 -5.299 19.494 1.00 17.48 N ATOM 864 CA THR A 89 11.065 -6.103 18.265 1.00 18.29 C ATOM 865 C THR A 89 11.497 -5.318 17.000 1.00 17.68 C ATOM 866 O THR A 89 12.416 -5.744 16.286 1.00 16.45 O ATOM 867 CB THR A 89 9.681 -6.754 18.034 1.00 18.80 C ATOM 868 OG1 THR A 89 9.452 -7.562 19.180 1.00 21.87 O ATOM 869 CG2 THR A 89 9.610 -7.612 16.776 1.00 20.88 C ATOM 870 H THR A 89 10.210 -5.331 20.049 1.00 0.00 H ATOM 871 HG1 THR A 89 10.146 -8.196 19.207 1.00 0.00 H ATOM 872 N ALA A 90 10.897 -4.150 16.728 1.00 15.38 N ATOM 873 CA ALA A 90 11.228 -3.395 15.543 1.00 15.40 C ATOM 874 C ALA A 90 12.669 -2.936 15.568 1.00 13.71 C ATOM 875 O ALA A 90 13.342 -3.028 14.530 1.00 14.07 O ATOM 876 CB ALA A 90 10.329 -2.148 15.388 1.00 15.57 C ATOM 877 H ALA A 90 10.237 -3.814 17.354 1.00 0.00 H ATOM 878 N SER A 91 13.145 -2.466 16.720 1.00 13.31 N ATOM 879 CA SER A 91 14.544 -2.048 16.820 1.00 13.92 C ATOM 880 C SER A 91 15.498 -3.213 16.617 1.00 13.40 C ATOM 881 O SER A 91 16.472 -3.077 15.876 1.00 14.74 O ATOM 882 CB SER A 91 14.813 -1.407 18.178 1.00 15.63 C ATOM 883 OG SER A 91 14.290 -0.094 18.194 1.00 15.63 O ATOM 884 H SER A 91 12.575 -2.412 17.521 1.00 0.00 H ATOM 885 HG SER A 91 13.331 -0.143 18.162 1.00 0.00 H ATOM 886 N VAL A 92 15.185 -4.381 17.171 1.00 13.89 N ATOM 887 CA VAL A 92 16.017 -5.577 16.992 1.00 15.44 C ATOM 888 C VAL A 92 16.078 -6.026 15.532 1.00 15.61 C ATOM 889 O VAL A 92 17.172 -6.241 14.978 1.00 15.71 O ATOM 890 CB VAL A 92 15.467 -6.741 17.885 1.00 16.19 C ATOM 891 CG1 VAL A 92 16.171 -8.091 17.604 1.00 17.68 C ATOM 892 CG2 VAL A 92 15.719 -6.351 19.322 1.00 17.37 C ATOM 893 H VAL A 92 14.390 -4.441 17.734 1.00 0.00 H ATOM 894 N ASN A 93 14.901 -6.147 14.904 1.00 15.76 N ATOM 895 CA ASN A 93 14.828 -6.549 13.509 1.00 17.71 C ATOM 896 C ASN A 93 15.569 -5.595 12.586 1.00 17.25 C ATOM 897 O ASN A 93 16.265 -6.060 11.689 1.00 17.35 O ATOM 898 CB ASN A 93 13.389 -6.627 13.012 1.00 20.04 C ATOM 899 CG ASN A 93 12.699 -7.863 13.554 1.00 24.34 C ATOM 900 OD1 ASN A 93 13.281 -8.764 14.158 1.00 24.78 O ATOM 901 ND2 ASN A 93 11.385 -7.947 13.400 1.00 28.30 N ATOM 902 H ASN A 93 14.086 -5.955 15.406 1.00 0.00 H ATOM 903 HD21 ASN A 93 10.917 -7.241 12.913 1.00 0.00 H ATOM 904 HD22 ASN A 93 10.947 -8.757 13.731 1.00 0.00 H ATOM 905 N CYS A 94 15.497 -4.269 12.792 1.00 13.41 N ATOM 906 CA CYS A 94 16.233 -3.337 11.964 1.00 13.42 C ATOM 907 C CYS A 94 17.747 -3.410 12.236 1.00 12.32 C ATOM 908 O CYS A 94 18.563 -3.362 11.310 1.00 11.83 O ATOM 909 CB CYS A 94 15.687 -1.949 12.252 1.00 14.22 C ATOM 910 SG CYS A 94 16.341 -0.680 11.159 1.00 16.11 S ATOM 911 H CYS A 94 14.964 -3.927 13.541 1.00 0.00 H ATOM 912 N ALA A 95 18.139 -3.522 13.528 1.00 13.18 N ATOM 913 CA ALA A 95 19.543 -3.666 13.951 1.00 13.95 C ATOM 914 C ALA A 95 20.198 -4.876 13.246 1.00 14.06 C ATOM 915 O ALA A 95 21.328 -4.797 12.763 1.00 13.40 O ATOM 916 CB ALA A 95 19.635 -3.869 15.477 1.00 12.31 C ATOM 917 H ALA A 95 17.453 -3.501 14.228 1.00 0.00 H ATOM 918 N LYS A 96 19.474 -5.999 13.118 1.00 14.72 N ATOM 919 CA LYS A 96 19.974 -7.145 12.368 1.00 15.85 C ATOM 920 C LYS A 96 20.286 -6.795 10.919 1.00 15.57 C ATOM 921 O LYS A 96 21.312 -7.213 10.402 1.00 17.03 O ATOM 922 CB LYS A 96 18.924 -8.248 12.456 1.00 18.58 C ATOM 923 CG LYS A 96 18.848 -8.938 13.828 1.00 18.05 C ATOM 924 CD LYS A 96 17.715 -9.963 13.737 1.00 20.19 C ATOM 925 CE LYS A 96 17.766 -10.840 14.971 1.00 22.13 C ATOM 926 NZ LYS A 96 16.622 -11.721 14.956 1.00 21.90 N ATOM 927 H LYS A 96 18.585 -6.031 13.532 1.00 0.00 H ATOM 928 HZ1 LYS A 96 16.642 -12.312 14.103 1.00 0.00 H ATOM 929 HZ2 LYS A 96 15.751 -11.150 14.966 1.00 0.00 H ATOM 930 HZ3 LYS A 96 16.638 -12.330 15.802 1.00 0.00 H ATOM 931 N LYS A 97 19.497 -5.974 10.231 1.00 15.48 N ATOM 932 CA LYS A 97 19.817 -5.565 8.860 1.00 17.56 C ATOM 933 C LYS A 97 21.055 -4.644 8.857 1.00 15.56 C ATOM 934 O LYS A 97 21.995 -4.792 8.064 1.00 15.12 O ATOM 935 CB LYS A 97 18.604 -4.859 8.289 1.00 20.33 C ATOM 936 CG LYS A 97 18.668 -4.740 6.787 1.00 28.09 C ATOM 937 CD LYS A 97 17.385 -4.097 6.243 1.00 34.88 C ATOM 938 CE LYS A 97 16.227 -5.102 6.241 1.00 38.87 C ATOM 939 NZ LYS A 97 14.979 -4.598 5.647 1.00 41.59 N ATOM 940 H LYS A 97 18.665 -5.647 10.640 1.00 0.00 H ATOM 941 HZ1 LYS A 97 15.142 -4.408 4.641 1.00 0.00 H ATOM 942 HZ2 LYS A 97 14.648 -3.729 6.119 1.00 0.00 H ATOM 943 HZ3 LYS A 97 14.239 -5.327 5.742 1.00 0.00 H ATOM 944 N ILE A 98 21.131 -3.710 9.821 1.00 13.57 N ATOM 945 CA ILE A 98 22.271 -2.811 9.894 1.00 14.77 C ATOM 946 C ILE A 98 23.592 -3.573 10.127 1.00 13.59 C ATOM 947 O ILE A 98 24.551 -3.368 9.388 1.00 14.66 O ATOM 948 CB ILE A 98 22.038 -1.779 11.022 1.00 14.58 C ATOM 949 CG1 ILE A 98 20.794 -0.947 10.747 1.00 15.04 C ATOM 950 CG2 ILE A 98 23.261 -0.860 11.115 1.00 14.62 C ATOM 951 CD1 ILE A 98 20.439 -0.024 11.914 1.00 14.99 C ATOM 952 H ILE A 98 20.420 -3.643 10.492 1.00 0.00 H ATOM 953 N VAL A 99 23.677 -4.453 11.109 1.00 14.35 N ATOM 954 CA VAL A 99 24.917 -5.136 11.420 1.00 15.46 C ATOM 955 C VAL A 99 25.331 -6.074 10.297 1.00 18.06 C ATOM 956 O VAL A 99 26.498 -6.454 10.212 1.00 17.93 O ATOM 957 CB VAL A 99 24.746 -5.901 12.762 1.00 15.46 C ATOM 958 CG1 VAL A 99 23.934 -7.166 12.584 1.00 15.00 C ATOM 959 CG2 VAL A 99 26.119 -6.206 13.325 1.00 17.22 C ATOM 960 H VAL A 99 22.864 -4.666 11.616 1.00 0.00 H ATOM 961 N SER A 100 24.402 -6.445 9.416 1.00 18.99 N ATOM 962 CA SER A 100 24.715 -7.290 8.286 1.00 22.47 C ATOM 963 C SER A 100 25.198 -6.484 7.087 1.00 23.41 C ATOM 964 O SER A 100 25.721 -7.064 6.143 1.00 24.00 O ATOM 965 CB SER A 100 23.466 -8.103 7.915 1.00 22.31 C ATOM 966 OG SER A 100 23.041 -8.909 9.009 1.00 23.64 O ATOM 967 H SER A 100 23.468 -6.176 9.551 1.00 0.00 H ATOM 968 HG SER A 100 22.260 -9.392 8.739 1.00 0.00 H ATOM 969 N ASP A 101 25.159 -5.159 7.139 1.00 24.70 N ATOM 970 CA ASP A 101 25.444 -4.299 6.009 1.00 26.99 C ATOM 971 C ASP A 101 26.877 -4.287 5.495 1.00 28.56 C ATOM 972 O ASP A 101 27.143 -3.742 4.410 1.00 30.44 O ATOM 973 CB ASP A 101 25.031 -2.881 6.388 1.00 28.97 C ATOM 974 CG ASP A 101 24.662 -2.003 5.212 1.00 33.43 C ATOM 975 OD1 ASP A 101 23.989 -2.483 4.293 1.00 34.74 O ATOM 976 OD2 ASP A 101 25.056 -0.836 5.227 1.00 36.80 O ATOM 977 H ASP A 101 24.901 -4.743 7.989 1.00 0.00 H ATOM 978 N GLY A 102 27.845 -4.795 6.256 1.00 26.99 N ATOM 979 CA GLY A 102 29.210 -4.795 5.763 1.00 25.59 C ATOM 980 C GLY A 102 30.168 -4.332 6.842 1.00 24.06 C ATOM 981 O GLY A 102 31.234 -4.923 6.967 1.00 24.82 O ATOM 982 H GLY A 102 27.648 -5.169 7.136 1.00 0.00 H ATOM 983 N ASN A 103 29.807 -3.353 7.678 1.00 22.83 N ATOM 984 CA ASN A 103 30.739 -2.868 8.678 1.00 21.58 C ATOM 985 C ASN A 103 30.482 -3.411 10.068 1.00 17.60 C ATOM 986 O ASN A 103 31.092 -2.952 11.025 1.00 16.69 O ATOM 987 CB ASN A 103 30.725 -1.355 8.722 1.00 26.00 C ATOM 988 CG ASN A 103 31.144 -0.835 7.349 1.00 32.68 C ATOM 989 OD1 ASN A 103 32.233 -1.101 6.842 1.00 35.86 O ATOM 990 ND2 ASN A 103 30.284 -0.130 6.604 1.00 33.29 N ATOM 991 H ASN A 103 28.914 -2.966 7.628 1.00 0.00 H ATOM 992 HD21 ASN A 103 29.389 0.039 6.954 1.00 0.00 H ATOM 993 HD22 ASN A 103 30.612 0.184 5.738 1.00 0.00 H ATOM 994 N GLY A 104 29.631 -4.419 10.216 1.00 15.29 N ATOM 995 CA GLY A 104 29.355 -5.029 11.494 1.00 14.09 C ATOM 996 C GLY A 104 28.850 -3.965 12.463 1.00 14.19 C ATOM 997 O GLY A 104 28.182 -2.993 12.086 1.00 14.03 O ATOM 998 H GLY A 104 29.138 -4.731 9.433 1.00 0.00 H ATOM 999 N MET A 105 29.215 -4.083 13.740 1.00 13.68 N ATOM 1000 CA MET A 105 28.738 -3.156 14.764 1.00 13.29 C ATOM 1001 C MET A 105 29.431 -1.801 14.772 1.00 12.25 C ATOM 1002 O MET A 105 29.077 -0.910 15.554 1.00 12.81 O ATOM 1003 CB MET A 105 28.870 -3.801 16.139 1.00 11.78 C ATOM 1004 CG MET A 105 27.728 -4.787 16.383 1.00 13.97 C ATOM 1005 SD MET A 105 27.545 -5.273 18.124 1.00 14.31 S ATOM 1006 CE MET A 105 26.713 -3.831 18.729 1.00 16.30 C ATOM 1007 H MET A 105 29.815 -4.814 13.994 1.00 0.00 H ATOM 1008 N ASN A 106 30.437 -1.589 13.908 1.00 12.88 N ATOM 1009 CA ASN A 106 31.070 -0.258 13.778 1.00 12.66 C ATOM 1010 C ASN A 106 30.070 0.765 13.279 1.00 11.81 C ATOM 1011 O ASN A 106 30.344 1.948 13.385 1.00 14.02 O ATOM 1012 CB ASN A 106 32.257 -0.277 12.797 1.00 12.96 C ATOM 1013 CG ASN A 106 33.355 -1.194 13.292 1.00 13.87 C ATOM 1014 OD1 ASN A 106 33.569 -2.270 12.719 1.00 19.06 O ATOM 1015 ND2 ASN A 106 34.007 -0.880 14.399 1.00 12.12 N ATOM 1016 H ASN A 106 30.740 -2.322 13.324 1.00 0.00 H ATOM 1017 HD21 ASN A 106 33.779 -0.064 14.870 1.00 0.00 H ATOM 1018 HD22 ASN A 106 34.703 -1.501 14.682 1.00 0.00 H ATOM 1019 N ALA A 107 28.919 0.343 12.757 1.00 12.49 N ATOM 1020 CA ALA A 107 27.810 1.232 12.420 1.00 14.06 C ATOM 1021 C ALA A 107 27.325 2.028 13.638 1.00 15.00 C ATOM 1022 O ALA A 107 26.741 3.103 13.464 1.00 16.84 O ATOM 1023 CB ALA A 107 26.623 0.452 11.916 1.00 14.91 C ATOM 1024 H ALA A 107 28.810 -0.610 12.576 1.00 0.00 H ATOM 1025 N TRP A 108 27.582 1.597 14.876 1.00 12.69 N ATOM 1026 CA TRP A 108 27.184 2.335 16.071 1.00 13.19 C ATOM 1027 C TRP A 108 28.437 2.953 16.626 1.00 13.39 C ATOM 1028 O TRP A 108 29.329 2.257 17.147 1.00 12.56 O ATOM 1029 CB TRP A 108 26.556 1.396 17.116 1.00 14.01 C ATOM 1030 CG TRP A 108 25.151 0.939 16.698 1.00 13.33 C ATOM 1031 CD1 TRP A 108 24.052 1.719 16.972 1.00 14.48 C ATOM 1032 CD2 TRP A 108 24.804 -0.209 16.028 1.00 12.18 C ATOM 1033 NE1 TRP A 108 23.012 1.070 16.476 1.00 14.96 N ATOM 1034 CE2 TRP A 108 23.415 -0.079 15.907 1.00 13.55 C ATOM 1035 CE3 TRP A 108 25.434 -1.326 15.509 1.00 13.05 C ATOM 1036 CZ2 TRP A 108 22.643 -1.049 15.275 1.00 12.88 C ATOM 1037 CZ3 TRP A 108 24.661 -2.305 14.865 1.00 14.69 C ATOM 1038 CH2 TRP A 108 23.271 -2.176 14.746 1.00 13.19 C ATOM 1039 H TRP A 108 28.077 0.762 14.996 1.00 0.00 H ATOM 1040 HE1 TRP A 108 22.088 1.384 16.546 1.00 0.00 H ATOM 1041 N VAL A 109 28.502 4.289 16.575 1.00 14.92 N ATOM 1042 CA VAL A 109 29.709 5.014 17.005 1.00 15.52 C ATOM 1043 C VAL A 109 30.044 4.759 18.481 1.00 14.00 C ATOM 1044 O VAL A 109 31.211 4.629 18.874 1.00 13.90 O ATOM 1045 CB VAL A 109 29.547 6.556 16.802 1.00 17.15 C ATOM 1046 CG1 VAL A 109 30.820 7.316 17.197 1.00 18.52 C ATOM 1047 CG2 VAL A 109 29.360 6.853 15.325 1.00 21.45 C ATOM 1048 H VAL A 109 27.720 4.787 16.249 1.00 0.00 H ATOM 1049 N ALA A 110 29.025 4.682 19.338 1.00 14.02 N ATOM 1050 CA ALA A 110 29.322 4.471 20.750 1.00 14.67 C ATOM 1051 C ALA A 110 29.847 3.053 20.981 1.00 14.53 C ATOM 1052 O ALA A 110 30.723 2.860 21.835 1.00 14.05 O ATOM 1053 CB ALA A 110 28.084 4.678 21.622 1.00 16.26 C ATOM 1054 H ALA A 110 28.096 4.728 19.029 1.00 0.00 H ATOM 1055 N TRP A 111 29.406 2.056 20.196 1.00 13.86 N ATOM 1056 CA TRP A 111 29.983 0.719 20.321 1.00 12.85 C ATOM 1057 C TRP A 111 31.463 0.739 19.960 1.00 12.45 C ATOM 1058 O TRP A 111 32.314 0.188 20.653 1.00 12.36 O ATOM 1059 CB TRP A 111 29.265 -0.305 19.397 1.00 13.23 C ATOM 1060 CG TRP A 111 29.911 -1.701 19.487 1.00 11.97 C ATOM 1061 CD1 TRP A 111 29.632 -2.584 20.506 1.00 12.14 C ATOM 1062 CD2 TRP A 111 30.844 -2.197 18.603 1.00 13.67 C ATOM 1063 NE1 TRP A 111 30.381 -3.620 20.281 1.00 11.23 N ATOM 1064 CE2 TRP A 111 31.114 -3.457 19.175 1.00 12.56 C ATOM 1065 CE3 TRP A 111 31.484 -1.777 17.418 1.00 12.58 C ATOM 1066 CZ2 TRP A 111 32.046 -4.296 18.537 1.00 15.47 C ATOM 1067 CZ3 TRP A 111 32.402 -2.622 16.793 1.00 13.76 C ATOM 1068 CH2 TRP A 111 32.684 -3.875 17.347 1.00 14.08 C ATOM 1069 H TRP A 111 28.696 2.224 19.549 1.00 0.00 H ATOM 1070 HE1 TRP A 111 30.371 -4.400 20.826 1.00 0.00 H ATOM 1071 N ARG A 112 31.779 1.388 18.860 1.00 14.13 N ATOM 1072 CA ARG A 112 33.141 1.459 18.358 1.00 16.61 C ATOM 1073 C ARG A 112 33.998 2.175 19.400 1.00 15.61 C ATOM 1074 O ARG A 112 35.058 1.714 19.780 1.00 14.66 O ATOM 1075 CB ARG A 112 33.105 2.242 17.062 1.00 18.09 C ATOM 1076 CG ARG A 112 34.267 1.990 16.194 1.00 25.15 C ATOM 1077 CD ARG A 112 34.337 3.042 15.081 1.00 28.45 C ATOM 1078 NE ARG A 112 33.060 3.353 14.458 1.00 33.99 N ATOM 1079 CZ ARG A 112 32.682 4.626 14.244 1.00 36.01 C ATOM 1080 NH1 ARG A 112 33.453 5.658 14.605 1.00 36.81 N ATOM 1081 NH2 ARG A 112 31.532 4.889 13.612 1.00 36.30 N ATOM 1082 H ARG A 112 31.064 1.821 18.337 1.00 0.00 H ATOM 1083 HE ARG A 112 32.462 2.622 14.194 1.00 0.00 H ATOM 1084 HH11 ARG A 112 34.333 5.495 15.046 1.00 0.00 H ATOM 1085 HH12 ARG A 112 33.147 6.593 14.422 1.00 0.00 H ATOM 1086 HH21 ARG A 112 30.951 4.140 13.292 1.00 0.00 H ATOM 1087 HH22 ARG A 112 31.258 5.836 13.442 1.00 0.00 H ATOM 1088 N ASN A 113 33.529 3.263 19.981 1.00 14.01 N ATOM 1089 CA ASN A 113 34.399 4.034 20.839 1.00 15.69 C ATOM 1090 C ASN A 113 34.383 3.593 22.274 1.00 16.22 C ATOM 1091 O ASN A 113 35.296 3.924 23.028 1.00 16.29 O ATOM 1092 CB ASN A 113 34.023 5.517 20.774 1.00 16.15 C ATOM 1093 CG ASN A 113 34.405 6.172 19.449 1.00 17.19 C ATOM 1094 OD1 ASN A 113 35.359 5.764 18.780 1.00 17.93 O ATOM 1095 ND2 ASN A 113 33.669 7.177 18.984 1.00 16.54 N ATOM 1096 H ASN A 113 32.591 3.521 19.858 1.00 0.00 H ATOM 1097 HD21 ASN A 113 32.909 7.489 19.498 1.00 0.00 H ATOM 1098 HD22 ASN A 113 33.948 7.567 18.124 1.00 0.00 H ATOM 1099 N ARG A 114 33.396 2.811 22.727 1.00 15.10 N ATOM 1100 CA ARG A 114 33.270 2.521 24.161 1.00 15.81 C ATOM 1101 C ARG A 114 33.083 1.071 24.531 1.00 15.27 C ATOM 1102 O ARG A 114 33.194 0.739 25.711 1.00 15.41 O ATOM 1103 CB ARG A 114 32.089 3.319 24.735 1.00 15.99 C ATOM 1104 CG ARG A 114 32.304 4.825 24.482 1.00 16.00 C ATOM 1105 CD ARG A 114 31.205 5.679 25.010 1.00 17.10 C ATOM 1106 NE ARG A 114 31.275 5.831 26.447 1.00 16.71 N ATOM 1107 CZ ARG A 114 30.413 6.608 27.079 1.00 15.81 C ATOM 1108 NH1 ARG A 114 29.460 7.275 26.425 1.00 16.77 N ATOM 1109 NH2 ARG A 114 30.498 6.697 28.388 1.00 16.57 N ATOM 1110 H ARG A 114 32.733 2.448 22.107 1.00 0.00 H ATOM 1111 HE ARG A 114 31.955 5.352 26.949 1.00 0.00 H ATOM 1112 HH11 ARG A 114 29.386 7.201 25.430 1.00 0.00 H ATOM 1113 HH12 ARG A 114 28.822 7.863 26.922 1.00 0.00 H ATOM 1114 HH21 ARG A 114 31.212 6.188 28.875 1.00 0.00 H ATOM 1115 HH22 ARG A 114 29.870 7.281 28.902 1.00 0.00 H ATOM 1116 N CYS A 115 32.744 0.252 23.535 1.00 13.77 N ATOM 1117 CA CYS A 115 32.555 -1.156 23.812 1.00 13.83 C ATOM 1118 C CYS A 115 33.569 -2.074 23.147 1.00 14.59 C ATOM 1119 O CYS A 115 33.956 -3.115 23.696 1.00 14.64 O ATOM 1120 CB CYS A 115 31.186 -1.609 23.356 1.00 12.52 C ATOM 1121 SG CYS A 115 29.832 -0.664 24.079 1.00 13.69 S ATOM 1122 H CYS A 115 32.619 0.591 22.630 1.00 0.00 H ATOM 1123 N LYS A 116 33.866 -1.800 21.860 1.00 14.51 N ATOM 1124 CA LYS A 116 34.837 -2.537 21.061 1.00 14.34 C ATOM 1125 C LYS A 116 36.157 -2.705 21.785 1.00 15.21 C ATOM 1126 O LYS A 116 36.750 -1.750 22.260 1.00 14.77 O ATOM 1127 CB LYS A 116 35.114 -1.817 19.740 1.00 15.63 C ATOM 1128 CG LYS A 116 35.884 -2.646 18.681 1.00 14.19 C ATOM 1129 CD LYS A 116 36.101 -1.839 17.382 1.00 15.26 C ATOM 1130 CE LYS A 116 36.709 -2.754 16.331 1.00 15.76 C ATOM 1131 NZ LYS A 116 36.776 -2.028 15.082 1.00 14.92 N ATOM 1132 H LYS A 116 33.460 -1.013 21.468 1.00 0.00 H ATOM 1133 HZ1 LYS A 116 37.371 -1.188 15.192 1.00 0.00 H ATOM 1134 HZ2 LYS A 116 35.822 -1.750 14.792 1.00 0.00 H ATOM 1135 HZ3 LYS A 116 37.183 -2.649 14.351 1.00 0.00 H ATOM 1136 N GLY A 117 36.584 -3.967 21.871 1.00 17.60 N ATOM 1137 CA GLY A 117 37.839 -4.323 22.539 1.00 20.24 C ATOM 1138 C GLY A 117 37.768 -4.259 24.061 1.00 20.95 C ATOM 1139 O GLY A 117 38.807 -4.278 24.718 1.00 23.93 O ATOM 1140 H GLY A 117 36.036 -4.686 21.521 1.00 0.00 H ATOM 1141 N THR A 118 36.595 -4.155 24.671 1.00 19.52 N ATOM 1142 CA THR A 118 36.541 -4.137 26.114 1.00 19.00 C ATOM 1143 C THR A 118 35.946 -5.477 26.517 1.00 18.79 C ATOM 1144 O THR A 118 35.497 -6.297 25.693 1.00 18.17 O ATOM 1145 CB THR A 118 35.664 -2.937 26.651 1.00 19.89 C ATOM 1146 OG1 THR A 118 34.301 -3.216 26.337 1.00 18.27 O ATOM 1147 CG2 THR A 118 36.084 -1.580 26.049 1.00 18.89 C ATOM 1148 H THR A 118 35.761 -4.072 24.158 1.00 0.00 H ATOM 1149 HG1 THR A 118 34.021 -4.012 26.775 1.00 0.00 H ATOM 1150 N ASP A 119 35.964 -5.710 27.828 1.00 20.25 N ATOM 1151 CA ASP A 119 35.357 -6.908 28.404 1.00 22.63 C ATOM 1152 C ASP A 119 33.835 -6.743 28.415 1.00 21.93 C ATOM 1153 O ASP A 119 33.215 -6.487 29.453 1.00 21.85 O ATOM 1154 CB ASP A 119 35.925 -7.081 29.814 1.00 26.38 C ATOM 1155 CG ASP A 119 35.480 -8.309 30.611 1.00 29.86 C ATOM 1156 OD1 ASP A 119 35.591 -8.286 31.845 1.00 31.51 O ATOM 1157 OD2 ASP A 119 35.020 -9.277 30.004 1.00 32.26 O ATOM 1158 H ASP A 119 36.396 -5.056 28.418 1.00 0.00 H ATOM 1159 N VAL A 120 33.183 -6.910 27.255 1.00 21.39 N ATOM 1160 CA VAL A 120 31.740 -6.705 27.129 1.00 19.80 C ATOM 1161 C VAL A 120 30.938 -7.759 27.876 1.00 20.85 C ATOM 1162 O VAL A 120 29.758 -7.606 28.147 1.00 19.30 O ATOM 1163 CB VAL A 120 31.346 -6.670 25.621 1.00 18.49 C ATOM 1164 CG1 VAL A 120 31.970 -5.434 24.992 1.00 17.55 C ATOM 1165 CG2 VAL A 120 31.833 -7.892 24.879 1.00 17.89 C ATOM 1166 H VAL A 120 33.701 -7.195 26.466 1.00 0.00 H ATOM 1167 N GLN A 121 31.573 -8.837 28.296 1.00 22.46 N ATOM 1168 CA GLN A 121 30.965 -9.885 29.083 1.00 24.52 C ATOM 1169 C GLN A 121 30.444 -9.354 30.414 1.00 21.68 C ATOM 1170 O GLN A 121 29.440 -9.830 30.947 1.00 20.63 O ATOM 1171 CB GLN A 121 32.005 -11.005 29.344 1.00 30.97 C ATOM 1172 CG GLN A 121 32.652 -11.714 28.158 1.00 39.34 C ATOM 1173 CD GLN A 121 33.883 -11.054 27.524 1.00 44.57 C ATOM 1174 OE1 GLN A 121 33.952 -9.852 27.198 1.00 46.25 O ATOM 1175 NE2 GLN A 121 34.947 -11.855 27.404 1.00 48.84 N ATOM 1176 H GLN A 121 32.507 -8.946 28.031 1.00 0.00 H ATOM 1177 HE21 GLN A 121 34.884 -12.784 27.694 1.00 0.00 H ATOM 1178 HE22 GLN A 121 35.747 -11.467 26.996 1.00 0.00 H ATOM 1179 N ALA A 122 31.124 -8.357 30.962 1.00 19.77 N ATOM 1180 CA ALA A 122 30.705 -7.698 32.193 1.00 20.10 C ATOM 1181 C ALA A 122 29.271 -7.186 32.107 1.00 19.93 C ATOM 1182 O ALA A 122 28.561 -7.157 33.106 1.00 17.90 O ATOM 1183 CB ALA A 122 31.598 -6.489 32.499 1.00 20.68 C ATOM 1184 H ALA A 122 31.946 -8.050 30.529 1.00 0.00 H ATOM 1185 N TRP A 123 28.803 -6.815 30.902 1.00 18.66 N ATOM 1186 CA TRP A 123 27.437 -6.313 30.767 1.00 18.79 C ATOM 1187 C TRP A 123 26.334 -7.330 30.989 1.00 17.89 C ATOM 1188 O TRP A 123 25.169 -6.955 31.179 1.00 18.79 O ATOM 1189 CB TRP A 123 27.265 -5.669 29.386 1.00 17.48 C ATOM 1190 CG TRP A 123 28.019 -4.355 29.397 1.00 18.90 C ATOM 1191 CD1 TRP A 123 29.231 -4.240 28.780 1.00 19.33 C ATOM 1192 CD2 TRP A 123 27.629 -3.200 30.037 1.00 17.26 C ATOM 1193 NE1 TRP A 123 29.626 -3.016 29.027 1.00 17.84 N ATOM 1194 CE2 TRP A 123 28.719 -2.359 29.764 1.00 17.69 C ATOM 1195 CE3 TRP A 123 26.548 -2.744 30.800 1.00 19.07 C ATOM 1196 CZ2 TRP A 123 28.740 -1.049 30.251 1.00 18.99 C ATOM 1197 CZ3 TRP A 123 26.558 -1.438 31.293 1.00 20.25 C ATOM 1198 CH2 TRP A 123 27.650 -0.599 31.018 1.00 20.47 C ATOM 1199 H TRP A 123 29.372 -6.897 30.111 1.00 0.00 H ATOM 1200 HE1 TRP A 123 30.454 -2.627 28.691 1.00 0.00 H ATOM 1201 N ILE A 124 26.643 -8.613 30.914 1.00 18.09 N ATOM 1202 CA ILE A 124 25.598 -9.576 31.227 1.00 19.96 C ATOM 1203 C ILE A 124 25.903 -10.367 32.486 1.00 21.87 C ATOM 1204 O ILE A 124 25.142 -11.282 32.829 1.00 19.94 O ATOM 1205 CB ILE A 124 25.361 -10.571 30.058 1.00 19.44 C ATOM 1206 CG1 ILE A 124 26.609 -11.367 29.700 1.00 19.96 C ATOM 1207 CG2 ILE A 124 24.858 -9.755 28.862 1.00 19.57 C ATOM 1208 CD1 ILE A 124 26.260 -12.364 28.604 1.00 24.01 C ATOM 1209 H ILE A 124 27.552 -8.905 30.681 1.00 0.00 H ATOM 1210 N ARG A 125 27.020 -10.113 33.186 1.00 23.37 N ATOM 1211 CA ARG A 125 27.288 -10.895 34.388 1.00 27.39 C ATOM 1212 C ARG A 125 26.228 -10.674 35.457 1.00 27.41 C ATOM 1213 O ARG A 125 25.657 -9.591 35.606 1.00 27.40 O ATOM 1214 CB ARG A 125 28.683 -10.576 34.981 1.00 31.78 C ATOM 1215 CG ARG A 125 29.749 -11.315 34.152 1.00 39.32 C ATOM 1216 CD ARG A 125 31.126 -11.488 34.830 1.00 45.08 C ATOM 1217 NE ARG A 125 32.186 -10.685 34.205 1.00 49.99 N ATOM 1218 CZ ARG A 125 32.773 -10.972 33.023 1.00 51.00 C ATOM 1219 NH1 ARG A 125 32.455 -12.045 32.283 1.00 50.39 N ATOM 1220 NH2 ARG A 125 33.688 -10.123 32.563 1.00 51.46 N ATOM 1221 H ARG A 125 27.632 -9.387 32.922 1.00 0.00 H ATOM 1222 HE ARG A 125 32.495 -9.884 34.682 1.00 0.00 H ATOM 1223 HH11 ARG A 125 31.748 -12.674 32.596 1.00 0.00 H ATOM 1224 HH12 ARG A 125 32.918 -12.199 31.410 1.00 0.00 H ATOM 1225 HH21 ARG A 125 33.927 -9.307 33.090 1.00 0.00 H ATOM 1226 HH22 ARG A 125 34.141 -10.302 31.689 1.00 0.00 H ATOM 1227 N GLY A 126 25.902 -11.783 36.124 1.00 27.47 N ATOM 1228 CA GLY A 126 24.895 -11.751 37.164 1.00 26.78 C ATOM 1229 C GLY A 126 23.472 -11.898 36.639 1.00 27.47 C ATOM 1230 O GLY A 126 22.532 -12.058 37.438 1.00 29.70 O ATOM 1231 H GLY A 126 26.347 -12.622 35.913 1.00 0.00 H ATOM 1232 N CYS A 127 23.237 -11.902 35.323 1.00 26.06 N ATOM 1233 CA CYS A 127 21.882 -11.999 34.786 1.00 24.44 C ATOM 1234 C CYS A 127 21.495 -13.465 34.657 1.00 25.89 C ATOM 1235 O CYS A 127 22.313 -14.310 34.273 1.00 24.21 O ATOM 1236 CB CYS A 127 21.796 -11.324 33.405 1.00 22.61 C ATOM 1237 SG CYS A 127 22.320 -9.583 33.484 1.00 21.51 S ATOM 1238 H CYS A 127 23.986 -11.822 34.696 1.00 0.00 H ATOM 1239 N ARG A 128 20.270 -13.823 35.063 1.00 27.34 N ATOM 1240 CA ARG A 128 19.811 -15.198 34.888 1.00 30.28 C ATOM 1241 C ARG A 128 19.420 -15.326 33.429 1.00 30.25 C ATOM 1242 O ARG A 128 18.365 -14.749 32.979 1.00 32.20 O ATOM 1243 CB ARG A 128 18.649 -15.456 35.834 1.00 32.83 C ATOM 1244 CG ARG A 128 18.240 -16.917 35.851 1.00 38.39 C ATOM 1245 CD ARG A 128 17.056 -17.105 36.775 1.00 41.95 C ATOM 1246 NE ARG A 128 17.391 -16.910 38.183 1.00 48.01 N ATOM 1247 CZ ARG A 128 16.743 -16.030 38.977 1.00 50.20 C ATOM 1248 NH1 ARG A 128 15.745 -15.268 38.497 1.00 50.84 N ATOM 1249 NH2 ARG A 128 17.071 -15.939 40.282 1.00 51.97 N ATOM 1250 H ARG A 128 19.686 -13.177 35.518 1.00 0.00 H ATOM 1251 HE ARG A 128 18.119 -17.438 38.571 1.00 0.00 H ATOM 1252 HH11 ARG A 128 15.469 -15.346 37.539 1.00 0.00 H ATOM 1253 HH12 ARG A 128 15.276 -14.622 39.100 1.00 0.00 H ATOM 1254 HH21 ARG A 128 17.796 -16.515 40.656 1.00 0.00 H ATOM 1255 HH22 ARG A 128 16.594 -15.285 40.870 1.00 0.00 H ATOM 1256 N LEU A 129 20.161 -15.795 32.514 1.00 31.46 N ATOM 1257 CA LEU A 129 19.757 -15.821 31.111 1.00 34.70 C ATOM 1258 C LEU A 129 19.493 -17.242 30.694 1.00 37.39 C ATOM 1259 O LEU A 129 18.843 -17.443 29.663 1.00 38.33 O ATOM 1260 CB LEU A 129 20.847 -15.200 30.338 1.00 33.98 C ATOM 1261 CG LEU A 129 21.028 -13.715 30.364 1.00 35.22 C ATOM 1262 CD1 LEU A 129 22.331 -13.387 29.653 1.00 36.36 C ATOM 1263 CD2 LEU A 129 19.843 -13.050 29.695 1.00 36.32 C ATOM 1264 OXT LEU A 129 19.998 -18.125 31.411 1.00 40.39 O ATOM 1265 H LEU A 129 20.949 -16.197 32.823 1.00 0.00 H TER 1266 LEU A 129 HETATM 1267 O HOH A 201 31.356 7.859 21.107 1.00 10.09 O HETATM 1268 O HOH A 202 16.619 1.729 18.212 1.00 14.25 O HETATM 1269 O HOH A 203 11.700 13.437 14.957 1.00 16.70 O HETATM 1270 O HOH A 204 13.045 9.850 7.036 1.00 16.29 O HETATM 1271 O HOH A 205 28.934 -11.249 26.132 1.00 16.41 O HETATM 1272 O HOH A 206 15.074 13.907 11.267 1.00 16.37 O HETATM 1273 O HOH A 207 33.204 4.481 28.144 1.00 18.96 O HETATM 1274 O HOH A 208 11.245 -1.236 18.645 1.00 18.54 O HETATM 1275 O HOH A 209 28.134 8.104 29.736 1.00 18.48 O HETATM 1276 O HOH A 210 11.076 5.750 28.354 1.00 18.66 O HETATM 1277 O HOH A 211 11.890 11.713 5.186 1.00 21.13 O HETATM 1278 O HOH A 212 36.133 0.801 22.905 1.00 22.45 O HETATM 1279 O HOH A 213 21.744 3.902 12.363 1.00 21.91 O HETATM 1280 O HOH A 214 22.706 9.199 18.822 1.00 22.72 O HETATM 1281 O HOH A 215 27.319 -2.395 9.429 1.00 24.87 O HETATM 1282 O HOH A 216 14.414 7.871 5.949 1.00 22.36 O HETATM 1283 O HOH A 217 13.963 1.527 21.226 1.00 26.12 O HETATM 1284 O HOH A 218 33.357 -9.559 22.266 1.00 24.39 O HETATM 1285 O HOH A 219 20.227 -14.804 21.318 1.00 23.30 O HETATM 1286 O HOH A 220 17.165 -5.657 35.114 1.00 23.22 O HETATM 1287 O HOH A 221 5.697 10.229 6.666 1.00 26.02 O HETATM 1288 O HOH A 222 12.350 7.838 4.442 1.00 27.29 O HETATM 1289 O HOH A 223 18.110 8.426 27.330 1.00 24.21 O HETATM 1290 O HOH A 224 8.587 -3.480 18.118 1.00 26.20 O HETATM 1291 O HOH A 225 18.499 0.924 33.658 1.00 27.75 O HETATM 1292 O HOH A 226 10.533 19.274 12.231 1.00 26.89 O HETATM 1293 O HOH A 227 18.676 16.265 19.788 1.00 28.37 O HETATM 1294 O HOH A 228 12.184 -0.466 21.279 1.00 24.75 O HETATM 1295 O HOH A 229 7.542 3.273 27.295 1.00 26.29 O HETATM 1296 O HOH A 230 26.299 5.687 15.430 1.00 28.05 O HETATM 1297 O HOH A 231 32.369 -2.708 28.344 1.00 28.84 O HETATM 1298 O HOH A 232 10.328 2.726 32.315 1.00 30.35 O HETATM 1299 O HOH A 233 7.661 4.018 24.470 1.00 29.81 O HETATM 1300 O HOH A 234 13.010 -3.993 9.700 1.00 30.03 O HETATM 1301 O HOH A 235 13.005 -8.819 29.543 1.00 30.43 O HETATM 1302 O HOH A 236 25.062 7.582 18.224 1.00 29.53 O HETATM 1303 O HOH A 237 33.686 1.798 28.180 1.00 29.19 O HETATM 1304 O HOH A 238 28.800 7.847 23.630 1.00 30.78 O HETATM 1305 O HOH A 239 19.490 3.217 -5.278 1.00 30.16 O HETATM 1306 O HOH A 240 19.708 -5.406 35.889 1.00 31.21 O HETATM 1307 O HOH A 241 35.498 -7.011 22.981 1.00 30.24 O HETATM 1308 O HOH A 242 15.585 -8.303 10.282 1.00 31.09 O HETATM 1309 O HOH A 243 28.644 -6.531 8.294 1.00 30.67 O HETATM 1310 O HOH A 244 32.076 -13.286 12.890 1.00 31.18 O HETATM 1311 O HOH A 245 25.056 7.396 26.634 1.00 33.79 O HETATM 1312 O HOH A 246 6.880 -0.682 17.357 1.00 30.83 O HETATM 1313 O HOH A 247 15.325 -14.534 27.110 1.00 34.59 O HETATM 1314 O HOH A 248 33.693 -6.095 21.242 1.00 31.33 O HETATM 1315 O HOH A 249 24.778 -14.067 32.966 1.00 33.33 O HETATM 1316 O HOH A 250 23.715 -14.597 12.370 1.00 36.72 O HETATM 1317 O HOH A 251 12.393 -1.404 33.305 1.00 35.79 O HETATM 1318 O HOH A 252 30.826 -15.549 12.862 1.00 38.16 O HETATM 1319 O HOH A 253 22.268 -17.612 33.472 1.00 35.41 O HETATM 1320 O HOH A 254 36.102 0.109 29.489 1.00 36.45 O HETATM 1321 O HOH A 255 8.327 17.538 7.625 1.00 35.72 O HETATM 1322 O HOH A 256 20.358 10.803 21.917 1.00 41.31 O HETATM 1323 O HOH A 257 25.341 14.090 11.046 1.00 35.57 O HETATM 1324 O HOH A 258 12.312 -2.872 11.918 1.00 37.63 O HETATM 1325 O HOH A 259 22.676 -3.576 36.992 1.00 37.37 O HETATM 1326 O HOH A 260 25.120 12.619 6.209 1.00 41.14 O HETATM 1327 O HOH A 261 22.957 10.356 8.861 1.00 43.58 O HETATM 1328 O HOH A 262 10.608 -6.271 24.438 1.00 38.13 O HETATM 1329 O HOH A 263 9.239 -4.364 26.939 1.00 39.57 O HETATM 1330 O HOH A 264 6.192 3.779 19.518 1.00 39.25 O HETATM 1331 O HOH A 265 14.341 -5.475 8.193 1.00 37.83 O HETATM 1332 O HOH A 266 7.359 5.944 29.659 1.00 41.38 O HETATM 1333 O HOH A 267 24.929 5.590 29.055 1.00 44.81 O HETATM 1334 O HOH A 268 14.771 -16.296 25.159 1.00 41.19 O HETATM 1335 O HOH A 269 23.545 -0.531 33.768 1.00 45.02 O HETATM 1336 O HOH A 270 21.109 9.120 23.758 1.00 44.08 O HETATM 1337 O HOH A 271 21.878 -5.354 5.352 1.00 41.51 O HETATM 1338 O HOH A 272 33.588 -3.929 30.868 1.00 42.76 O HETATM 1339 O HOH A 273 20.237 -8.117 5.939 1.00 42.53 O HETATM 1340 O HOH A 274 20.849 -1.244 34.697 1.00 43.34 O HETATM 1341 O HOH A 275 13.440 -0.221 1.501 1.00 44.82 O HETATM 1342 O HOH A 276 25.627 7.897 30.194 1.00 47.41 O HETATM 1343 O HOH A 277 23.530 -8.365 38.821 1.00 46.44 O HETATM 1344 O HOH A 278 39.568 -0.498 18.972 1.00 46.89 O HETATM 1345 O HOH A 279 37.145 -0.266 12.400 1.00 45.88 O HETATM 1346 O HOH A 280 3.952 -0.818 27.805 1.00 46.32 O HETATM 1347 O HOH A 281 38.758 0.082 15.708 1.00 49.12 O HETATM 1348 O HOH A 282 27.048 4.216 10.606 1.00 50.22 O HETATM 1349 O HOH A 283 38.007 4.782 18.988 1.00 48.93 O HETATM 1350 O HOH A 284 19.891 -9.840 38.329 1.00 50.27 O HETATM 1351 O HOH A 285 4.540 4.389 16.103 1.00 49.12 O HETATM 1352 O HOH A 286 19.481 -9.313 8.618 1.00 45.66 O HETATM 1353 O HOH A 287 13.380 -11.018 16.341 1.00 52.15 O HETATM 1354 O HOH A 288 23.041 12.080 17.600 1.00 49.10 O HETATM 1355 O HOH A 289 37.445 1.374 18.788 1.00 49.32 O HETATM 1356 O HOH A 290 37.634 -8.200 22.407 1.00 47.11 O HETATM 1357 O HOH A 291 23.913 2.389 12.945 1.00 48.98 O HETATM 1358 O HOH A 292 29.168 -2.753 33.321 1.00 50.63 O HETATM 1359 O HOH A 293 9.703 -15.901 22.600 1.00 46.39 O HETATM 1360 O HOH A 294 39.658 -7.034 20.609 1.00 51.08 O HETATM 1361 O HOH A 295 26.024 14.749 14.388 1.00 51.76 O HETATM 1362 O HOH A 296 17.708 -12.704 34.300 1.00 49.83 O HETATM 1363 O HOH A 297 31.613 -11.629 25.433 1.00 51.05 O HETATM 1364 O HOH A 298 37.029 -3.696 29.803 1.00 53.29 O HETATM 1365 O HOH A 299 10.750 -11.283 15.699 1.00 50.93 O HETATM 1366 O HOH A 300 27.332 -14.025 26.449 1.00 49.66 O HETATM 1367 O HOH A 301 19.150 19.938 12.403 1.00 51.59 O HETATM 1368 O HOH A 302 17.585 5.770 30.323 1.00 52.32 O HETATM 1369 O HOH A 303 24.098 8.449 13.743 1.00 55.56 O HETATM 1370 O HOH A 304 9.149 5.153 3.406 1.00 49.46 O HETATM 1371 O HOH A 305 18.422 5.476 -3.752 1.00 51.86 O HETATM 1372 O HOH A 306 6.229 -1.923 14.551 1.00 54.17 O HETATM 1373 O HOH A 307 36.446 5.221 15.958 1.00 48.77 O HETATM 1374 O HOH A 308 7.627 13.698 3.931 1.00 51.58 O HETATM 1375 O HOH A 309 13.034 18.425 11.507 1.00 56.09 O HETATM 1376 O HOH A 310 15.821 15.017 20.523 1.00 54.40 O HETATM 1377 O HOH A 311 23.331 4.481 16.291 1.00 52.41 O HETATM 1378 O HOH A 312 25.652 -0.297 8.517 1.00 58.11 O HETATM 1379 O HOH A 313 16.062 17.482 7.696 1.00 56.76 O HETATM 1380 O HOH A 314 30.354 -10.839 10.871 1.00 59.91 O HETATM 1381 O HOH A 315 23.855 4.390 10.119 1.00 62.76 O HETATM 1382 O HOH A 316 11.326 -6.242 6.258 1.00 62.11 O HETATM 1383 O HOH A 317 10.364 -5.226 12.432 1.00 62.66 O 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 293 0 0 8 3 0 0 6 1382 1 8 10 END