HEADER HYDROLASE 30-MAR-04 1VED TITLE THE CRYSTAL STRUCTURE OF THE ORTHORHOMBIC FORM OF HEN EGG TITLE 2 WHITE LYSOZYME AT 1.9 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, ORTHRHOMBIC, MICROGRAVITY, KEYWDS 2 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 1VED 1 VERSN REVDAT 1 13-APR-04 1VED 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 ORTHORHOMBIC FORM OF JRNL TITL 2 HEN EGG WHITE LYSOZYME AT 1.9 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. 1.90 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 34.10 REMARK 3 DATA CUTOFF (SIGMA(F)) : 3.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 904653.970 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 89.7 REMARK 3 NUMBER OF REFLECTIONS : 9139 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) : 0.174 REMARK 3 FREE R VALUE : 0.220 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.300 REMARK 3 FREE R VALUE TEST SET COUNT : 487 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.010 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) : 1.90 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.02 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 80.50 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1261 REMARK 3 BIN R VALUE (WORKING SET) : 0.2080 REMARK 3 BIN FREE R VALUE : 0.2780 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.80 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 77 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.032 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1001 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 78 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 18.40 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 25.10 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.43000 REMARK 3 B22 (A**2) : -3.31000 REMARK 3 B33 (A**2) : 2.88000 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) : 0.19 REMARK 3 ESD FROM SIGMAA (A) : 0.12 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) : 0.25 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.18 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.004 REMARK 3 BOND ANGLES (DEGREES) : 1.20 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.10 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.69 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) : 1.350 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.130 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.250 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.480 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.31 REMARK 3 BSOL : 37.19 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 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 3 : ION.PARAM REMARK 3 PARAMETER FILE 4 : &_1_PARAMETER_INFILE_4 REMARK 3 PARAMETER FILE 5 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : ION.TOP REMARK 3 TOPOLOGY FILE 4 : &_1_TOPOLOGY_INFILE_4 REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1VED COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 31-MAR-04. REMARK 100 THE RCSB ID CODE IS RCSB006523. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 09-SEP-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 RUH3R 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 II REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 9270 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900 REMARK 200 RESOLUTION RANGE LOW (A) : 34.100 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 91.7 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) : 1.90 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.93 REMARK 200 COMPLETENESS FOR SHELL (%) : 84.7 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 : 3.600 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 (%): 42.48 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.14 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z 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 29.60500 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 15.18000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 34.10000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 15.18000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 29.60500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 34.10000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 236 DISTANCE = 5.57 ANGSTROMS REMARK 525 HOH A 267 DISTANCE = 6.40 ANGSTROMS REMARK 525 HOH A 294 DISTANCE = 5.26 ANGSTROMS REMARK 525 HOH A 298 DISTANCE = 8.39 ANGSTROMS 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: 1VDS RELATED DB: PDB REMARK 900 THE SAME PROTEIN, THE TETRAGONAL FORM AT 1.6 A RESOLUTION REMARK 900 IN SPACE 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 DBREF 1VED 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 *78(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 SER A 100 1 13 HELIX 6 6 ASP A 101 GLY A 102 5 2 HELIX 7 7 ASN A 103 ALA A 107 5 5 HELIX 8 8 TRP A 108 CYS A 115 1 8 HELIX 9 9 ASP A 119 ILE A 124 5 6 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 2.03 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.03 SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.03 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.03 CRYST1 59.210 68.200 30.360 90.00 90.00 90.00 P 21 21 21 4 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 0.016889 0.000000 0.000000 0.00000 SCALE2 0.000000 0.014663 0.000000 0.00000 SCALE3 0.000000 0.000000 0.032938 0.00000 ATOM 1 N LYS A 1 -6.027 22.722 11.846 1.00 23.95 N ATOM 2 CA LYS A 1 -6.589 21.434 11.354 1.00 25.06 C ATOM 3 C LYS A 1 -5.535 20.572 10.676 1.00 24.63 C ATOM 4 O LYS A 1 -4.617 21.083 10.034 1.00 24.88 O ATOM 5 CB LYS A 1 -7.723 21.704 10.360 1.00 25.99 C ATOM 6 CG LYS A 1 -8.228 20.463 9.646 1.00 28.37 C ATOM 7 CD LYS A 1 -9.333 20.802 8.663 1.00 29.46 C ATOM 8 CE LYS A 1 -9.837 19.549 7.960 1.00 31.54 C ATOM 9 NZ LYS A 1 -11.046 19.826 7.139 1.00 33.79 N ATOM 10 N VAL A 2 -5.663 19.260 10.837 1.00 23.69 N ATOM 11 CA VAL A 2 -4.753 18.318 10.202 1.00 24.39 C ATOM 12 C VAL A 2 -5.576 17.522 9.195 1.00 24.75 C ATOM 13 O VAL A 2 -6.467 16.759 9.574 1.00 23.30 O ATOM 14 CB VAL A 2 -4.126 17.345 11.218 1.00 25.47 C ATOM 15 CG1 VAL A 2 -3.288 16.303 10.486 1.00 24.98 C ATOM 16 CG2 VAL A 2 -3.258 18.116 12.208 1.00 26.02 C ATOM 17 N PHE A 3 -5.286 17.718 7.914 1.00 22.94 N ATOM 18 CA PHE A 3 -6.008 17.025 6.851 1.00 22.55 C ATOM 19 C PHE A 3 -5.558 15.592 6.672 1.00 21.75 C ATOM 20 O PHE A 3 -4.411 15.246 6.955 1.00 20.66 O ATOM 21 CB PHE A 3 -5.803 17.713 5.496 1.00 22.29 C ATOM 22 CG PHE A 3 -6.676 18.906 5.266 1.00 22.05 C ATOM 23 CD1 PHE A 3 -6.373 20.133 5.846 1.00 21.45 C ATOM 24 CD2 PHE A 3 -7.785 18.814 4.428 1.00 21.40 C ATOM 25 CE1 PHE A 3 -7.160 21.249 5.590 1.00 20.31 C ATOM 26 CE2 PHE A 3 -8.576 19.927 4.168 1.00 18.90 C ATOM 27 CZ PHE A 3 -8.263 21.146 4.749 1.00 19.59 C ATOM 28 N GLY A 4 -6.477 14.765 6.186 1.00 21.10 N ATOM 29 CA GLY A 4 -6.136 13.395 5.882 1.00 20.02 C ATOM 30 C GLY A 4 -5.634 13.502 4.453 1.00 19.32 C ATOM 31 O GLY A 4 -5.986 14.451 3.751 1.00 17.63 O ATOM 32 N ARG A 5 -4.819 12.556 4.009 1.00 19.75 N ATOM 33 CA ARG A 5 -4.289 12.599 2.650 1.00 19.88 C ATOM 34 C ARG A 5 -5.360 12.786 1.575 1.00 19.56 C ATOM 35 O ARG A 5 -5.285 13.714 0.768 1.00 17.60 O ATOM 36 CB ARG A 5 -3.493 11.321 2.366 1.00 21.09 C ATOM 37 CG ARG A 5 -2.955 11.223 0.951 1.00 22.20 C ATOM 38 CD ARG A 5 -1.971 10.071 0.828 1.00 21.66 C ATOM 39 NE ARG A 5 -2.587 8.775 1.097 1.00 23.28 N ATOM 40 CZ ARG A 5 -3.348 8.107 0.235 1.00 23.77 C ATOM 41 NH1 ARG A 5 -3.595 8.608 -0.969 1.00 22.92 N ATOM 42 NH2 ARG A 5 -3.858 6.929 0.576 1.00 23.54 N ATOM 43 N CYS A 6 -6.358 11.906 1.562 1.00 19.00 N ATOM 44 CA CYS A 6 -7.417 11.982 0.558 1.00 18.20 C ATOM 45 C CYS A 6 -8.328 13.188 0.702 1.00 18.06 C ATOM 46 O CYS A 6 -8.812 13.733 -0.293 1.00 18.01 O ATOM 47 CB CYS A 6 -8.251 10.703 0.569 1.00 19.12 C ATOM 48 SG CYS A 6 -7.368 9.259 -0.102 1.00 19.22 S ATOM 49 N GLU A 7 -8.569 13.598 1.942 1.00 18.45 N ATOM 50 CA GLU A 7 -9.406 14.761 2.204 1.00 17.59 C ATOM 51 C GLU A 7 -8.742 16.009 1.599 1.00 16.08 C ATOM 52 O GLU A 7 -9.415 16.868 1.026 1.00 14.92 O ATOM 53 CB GLU A 7 -9.579 14.938 3.713 1.00 18.99 C ATOM 54 CG GLU A 7 -10.345 16.184 4.117 1.00 23.31 C ATOM 55 CD GLU A 7 -10.346 16.400 5.621 1.00 26.31 C ATOM 56 OE1 GLU A 7 -9.431 15.879 6.299 1.00 26.60 O ATOM 57 OE2 GLU A 7 -11.247 17.104 6.124 1.00 27.66 O ATOM 58 N LEU A 8 -7.422 16.108 1.727 1.00 14.15 N ATOM 59 CA LEU A 8 -6.715 17.265 1.179 1.00 14.68 C ATOM 60 C LEU A 8 -6.689 17.219 -0.349 1.00 14.44 C ATOM 61 O LEU A 8 -6.832 18.244 -1.012 1.00 15.54 O ATOM 62 CB LEU A 8 -5.281 17.339 1.719 1.00 14.21 C ATOM 63 CG LEU A 8 -4.503 18.561 1.205 1.00 16.82 C ATOM 64 CD1 LEU A 8 -5.199 19.830 1.666 1.00 16.76 C ATOM 65 CD2 LEU A 8 -3.064 18.528 1.702 1.00 17.80 C ATOM 66 N ALA A 9 -6.504 16.028 -0.907 1.00 15.64 N ATOM 67 CA ALA A 9 -6.480 15.874 -2.354 1.00 14.71 C ATOM 68 C ALA A 9 -7.801 16.382 -2.938 1.00 16.17 C ATOM 69 O ALA A 9 -7.814 17.084 -3.950 1.00 15.32 O ATOM 70 CB ALA A 9 -6.269 14.408 -2.722 1.00 14.33 C ATOM 71 N ALA A 10 -8.909 16.036 -2.287 1.00 15.79 N ATOM 72 CA ALA A 10 -10.229 16.463 -2.748 1.00 16.58 C ATOM 73 C ALA A 10 -10.379 17.971 -2.618 1.00 17.36 C ATOM 74 O ALA A 10 -10.944 18.626 -3.498 1.00 18.54 O ATOM 75 CB ALA A 10 -11.323 15.760 -1.942 1.00 18.07 C ATOM 76 N ALA A 11 -9.879 18.521 -1.515 1.00 15.77 N ATOM 77 CA ALA A 11 -9.966 19.959 -1.283 1.00 14.55 C ATOM 78 C ALA A 11 -9.163 20.726 -2.335 1.00 15.26 C ATOM 79 O ALA A 11 -9.635 21.722 -2.885 1.00 16.29 O ATOM 80 CB ALA A 11 -9.461 20.293 0.117 1.00 15.15 C ATOM 81 N MET A 12 -7.953 20.260 -2.623 1.00 14.99 N ATOM 82 CA MET A 12 -7.113 20.929 -3.613 1.00 17.11 C ATOM 83 C MET A 12 -7.689 20.822 -5.023 1.00 17.69 C ATOM 84 O MET A 12 -7.594 21.764 -5.812 1.00 18.77 O ATOM 85 CB MET A 12 -5.695 20.354 -3.580 1.00 16.11 C ATOM 86 CG MET A 12 -4.973 20.632 -2.274 1.00 13.95 C ATOM 87 SD MET A 12 -3.282 19.981 -2.262 1.00 18.02 S ATOM 88 CE MET A 12 -2.444 21.270 -1.398 1.00 17.18 C ATOM 89 N LYS A 13 -8.291 19.680 -5.337 1.00 17.33 N ATOM 90 CA LYS A 13 -8.884 19.483 -6.653 1.00 20.60 C ATOM 91 C LYS A 13 -10.029 20.472 -6.834 1.00 20.82 C ATOM 92 O LYS A 13 -10.217 21.041 -7.911 1.00 18.43 O ATOM 93 CB LYS A 13 -9.416 18.056 -6.787 1.00 22.91 C ATOM 94 CG LYS A 13 -9.906 17.717 -8.182 1.00 27.16 C ATOM 95 CD LYS A 13 -10.204 16.232 -8.306 1.00 32.02 C ATOM 96 CE LYS A 13 -10.622 15.865 -9.726 1.00 35.57 C ATOM 97 NZ LYS A 13 -10.921 14.408 -9.849 1.00 37.78 N ATOM 98 N ARG A 14 -10.791 20.659 -5.762 1.00 22.23 N ATOM 99 CA ARG A 14 -11.929 21.570 -5.747 1.00 23.63 C ATOM 100 C ARG A 14 -11.464 23.010 -5.979 1.00 24.13 C ATOM 101 O ARG A 14 -12.184 23.817 -6.573 1.00 22.81 O ATOM 102 CB ARG A 14 -12.645 21.441 -4.397 1.00 27.13 C ATOM 103 CG ARG A 14 -13.976 22.144 -4.284 1.00 32.20 C ATOM 104 CD ARG A 14 -14.788 21.571 -3.113 1.00 36.41 C ATOM 105 NE ARG A 14 -14.101 21.687 -1.824 1.00 38.41 N ATOM 106 CZ ARG A 14 -13.666 20.655 -1.101 1.00 39.79 C ATOM 107 NH1 ARG A 14 -13.839 19.409 -1.527 1.00 37.05 N ATOM 108 NH2 ARG A 14 -13.051 20.870 0.056 1.00 39.29 N ATOM 109 N HIS A 15 -10.259 23.331 -5.515 1.00 22.66 N ATOM 110 CA HIS A 15 -9.721 24.674 -5.695 1.00 23.49 C ATOM 111 C HIS A 15 -8.899 24.840 -6.977 1.00 22.98 C ATOM 112 O HIS A 15 -8.143 25.805 -7.122 1.00 23.31 O ATOM 113 CB HIS A 15 -8.894 25.089 -4.475 1.00 25.02 C ATOM 114 CG HIS A 15 -9.723 25.394 -3.268 1.00 26.18 C ATOM 115 ND1 HIS A 15 -10.119 24.426 -2.371 1.00 28.12 N ATOM 116 CD2 HIS A 15 -10.277 26.553 -2.836 1.00 27.01 C ATOM 117 CE1 HIS A 15 -10.880 24.973 -1.439 1.00 27.58 C ATOM 118 NE2 HIS A 15 -10.991 26.263 -1.701 1.00 28.24 N ATOM 119 N GLY A 16 -9.060 23.891 -7.898 1.00 21.12 N ATOM 120 CA GLY A 16 -8.380 23.942 -9.183 1.00 21.86 C ATOM 121 C GLY A 16 -6.868 23.806 -9.255 1.00 22.15 C ATOM 122 O GLY A 16 -6.244 24.408 -10.131 1.00 23.56 O ATOM 123 N LEU A 17 -6.268 23.023 -8.364 1.00 20.65 N ATOM 124 CA LEU A 17 -4.819 22.840 -8.390 1.00 19.16 C ATOM 125 C LEU A 17 -4.384 21.683 -9.278 1.00 20.92 C ATOM 126 O LEU A 17 -3.212 21.591 -9.651 1.00 20.33 O ATOM 127 CB LEU A 17 -4.271 22.603 -6.981 1.00 21.17 C ATOM 128 CG LEU A 17 -4.081 23.821 -6.079 1.00 20.61 C ATOM 129 CD1 LEU A 17 -3.523 23.371 -4.737 1.00 19.52 C ATOM 130 CD2 LEU A 17 -3.137 24.813 -6.753 1.00 20.91 C ATOM 131 N ASP A 18 -5.314 20.795 -9.620 1.00 19.80 N ATOM 132 CA ASP A 18 -4.956 19.652 -10.456 1.00 21.37 C ATOM 133 C ASP A 18 -4.535 20.100 -11.853 1.00 21.32 C ATOM 134 O ASP A 18 -5.346 20.638 -12.612 1.00 20.39 O ATOM 135 CB ASP A 18 -6.120 18.659 -10.550 1.00 22.95 C ATOM 136 CG ASP A 18 -5.720 17.356 -11.229 1.00 25.28 C ATOM 137 OD1 ASP A 18 -4.510 17.041 -11.259 1.00 25.38 O ATOM 138 OD2 ASP A 18 -6.614 16.634 -11.719 1.00 27.23 O ATOM 139 N ASN A 19 -3.260 19.872 -12.166 1.00 20.64 N ATOM 140 CA ASN A 19 -2.655 20.227 -13.451 1.00 22.26 C ATOM 141 C ASN A 19 -2.421 21.725 -13.637 1.00 22.57 C ATOM 142 O ASN A 19 -2.146 22.183 -14.746 1.00 23.65 O ATOM 143 CB ASN A 19 -3.495 19.687 -14.616 1.00 22.26 C ATOM 144 CG ASN A 19 -3.556 18.176 -14.633 1.00 25.29 C ATOM 145 OD1 ASN A 19 -2.524 17.502 -14.603 1.00 25.89 O ATOM 146 ND2 ASN A 19 -4.767 17.631 -14.684 1.00 26.46 N ATOM 147 N TYR A 20 -2.520 22.486 -12.551 1.00 21.25 N ATOM 148 CA TYR A 20 -2.306 23.925 -12.615 1.00 20.08 C ATOM 149 C TYR A 20 -0.854 24.216 -13.001 1.00 19.99 C ATOM 150 O TYR A 20 0.079 23.730 -12.359 1.00 16.46 O ATOM 151 CB TYR A 20 -2.612 24.565 -11.263 1.00 22.68 C ATOM 152 CG TYR A 20 -2.616 26.071 -11.300 1.00 24.22 C ATOM 153 CD1 TYR A 20 -3.730 26.772 -11.764 1.00 25.16 C ATOM 154 CD2 TYR A 20 -1.492 26.799 -10.906 1.00 25.06 C ATOM 155 CE1 TYR A 20 -3.724 28.159 -11.838 1.00 25.28 C ATOM 156 CE2 TYR A 20 -1.478 28.187 -10.979 1.00 26.19 C ATOM 157 CZ TYR A 20 -2.595 28.857 -11.446 1.00 25.82 C ATOM 158 OH TYR A 20 -2.578 30.226 -11.537 1.00 29.64 O ATOM 159 N ARG A 21 -0.669 25.013 -14.050 1.00 20.86 N ATOM 160 CA ARG A 21 0.668 25.357 -14.534 1.00 22.12 C ATOM 161 C ARG A 21 1.517 24.127 -14.837 1.00 22.70 C ATOM 162 O ARG A 21 2.743 24.171 -14.750 1.00 23.02 O ATOM 163 CB ARG A 21 1.389 26.257 -13.526 1.00 23.23 C ATOM 164 CG ARG A 21 0.870 27.688 -13.518 1.00 28.54 C ATOM 165 CD ARG A 21 1.081 28.367 -14.871 1.00 32.46 C ATOM 166 NE ARG A 21 0.582 29.741 -14.886 1.00 37.92 N ATOM 167 CZ ARG A 21 -0.705 30.081 -14.899 1.00 40.26 C ATOM 168 NH1 ARG A 21 -1.650 29.148 -14.905 1.00 41.72 N ATOM 169 NH2 ARG A 21 -1.052 31.361 -14.903 1.00 41.07 N ATOM 170 N GLY A 22 0.854 23.027 -15.186 1.00 22.08 N ATOM 171 CA GLY A 22 1.560 21.806 -15.525 1.00 21.22 C ATOM 172 C GLY A 22 1.884 20.863 -14.382 1.00 22.24 C ATOM 173 O GLY A 22 2.659 19.926 -14.563 1.00 21.99 O ATOM 174 N TYR A 23 1.299 21.091 -13.209 1.00 19.92 N ATOM 175 CA TYR A 23 1.573 20.229 -12.060 1.00 18.78 C ATOM 176 C TYR A 23 0.347 19.434 -11.628 1.00 17.85 C ATOM 177 O TYR A 23 -0.644 20.001 -11.165 1.00 15.59 O ATOM 178 CB TYR A 23 2.100 21.070 -10.894 1.00 19.42 C ATOM 179 CG TYR A 23 3.462 21.664 -11.174 1.00 19.61 C ATOM 180 CD1 TYR A 23 4.619 20.903 -11.014 1.00 20.59 C ATOM 181 CD2 TYR A 23 3.591 22.965 -11.653 1.00 22.70 C ATOM 182 CE1 TYR A 23 5.873 21.422 -11.328 1.00 21.65 C ATOM 183 CE2 TYR A 23 4.844 23.496 -11.971 1.00 22.97 C ATOM 184 CZ TYR A 23 5.977 22.715 -11.805 1.00 23.04 C ATOM 185 OH TYR A 23 7.218 23.227 -12.109 1.00 26.67 O ATOM 186 N SER A 24 0.425 18.116 -11.796 1.00 16.96 N ATOM 187 CA SER A 24 -0.672 17.229 -11.431 1.00 17.93 C ATOM 188 C SER A 24 -0.955 17.309 -9.937 1.00 16.34 C ATOM 189 O SER A 24 -0.089 17.683 -9.153 1.00 15.47 O ATOM 190 CB SER A 24 -0.339 15.788 -11.816 1.00 18.46 C ATOM 191 OG SER A 24 0.820 15.348 -11.136 1.00 23.94 O ATOM 192 N LEU A 25 -2.181 16.957 -9.563 1.00 15.67 N ATOM 193 CA LEU A 25 -2.630 16.981 -8.171 1.00 15.37 C ATOM 194 C LEU A 25 -1.670 16.311 -7.186 1.00 14.42 C ATOM 195 O LEU A 25 -1.425 16.829 -6.099 1.00 14.19 O ATOM 196 CB LEU A 25 -4.001 16.305 -8.067 1.00 16.18 C ATOM 197 CG LEU A 25 -4.680 16.397 -6.700 1.00 16.50 C ATOM 198 CD1 LEU A 25 -4.941 17.862 -6.362 1.00 16.96 C ATOM 199 CD2 LEU A 25 -5.988 15.610 -6.726 1.00 17.77 C ATOM 200 N GLY A 26 -1.138 15.153 -7.564 1.00 13.36 N ATOM 201 CA GLY A 26 -0.223 14.447 -6.685 1.00 13.59 C ATOM 202 C GLY A 26 0.966 15.275 -6.235 1.00 15.68 C ATOM 203 O GLY A 26 1.479 15.091 -5.127 1.00 14.49 O ATOM 204 N ASN A 27 1.421 16.180 -7.097 1.00 16.06 N ATOM 205 CA ASN A 27 2.558 17.035 -6.770 1.00 16.24 C ATOM 206 C ASN A 27 2.220 17.930 -5.579 1.00 16.47 C ATOM 207 O ASN A 27 3.023 18.087 -4.656 1.00 16.02 O ATOM 208 CB ASN A 27 2.933 17.910 -7.975 1.00 15.05 C ATOM 209 CG ASN A 27 3.750 17.161 -9.019 1.00 16.97 C ATOM 210 OD1 ASN A 27 4.918 16.852 -8.801 1.00 15.96 O ATOM 211 ND2 ASN A 27 3.133 16.868 -10.162 1.00 17.67 N ATOM 212 N TRP A 28 1.024 18.508 -5.602 1.00 15.15 N ATOM 213 CA TRP A 28 0.588 19.402 -4.538 1.00 14.26 C ATOM 214 C TRP A 28 0.365 18.694 -3.202 1.00 15.59 C ATOM 215 O TRP A 28 0.691 19.235 -2.143 1.00 14.92 O ATOM 216 CB TRP A 28 -0.687 20.138 -4.961 1.00 14.14 C ATOM 217 CG TRP A 28 -0.503 20.962 -6.209 1.00 16.65 C ATOM 218 CD1 TRP A 28 -0.783 20.584 -7.495 1.00 16.05 C ATOM 219 CD2 TRP A 28 0.053 22.282 -6.291 1.00 16.44 C ATOM 220 NE1 TRP A 28 -0.434 21.587 -8.371 1.00 15.49 N ATOM 221 CE2 TRP A 28 0.081 22.639 -7.659 1.00 17.23 C ATOM 222 CE3 TRP A 28 0.533 23.196 -5.340 1.00 18.60 C ATOM 223 CZ2 TRP A 28 0.571 23.875 -8.103 1.00 18.94 C ATOM 224 CZ3 TRP A 28 1.022 24.427 -5.781 1.00 18.46 C ATOM 225 CH2 TRP A 28 1.036 24.753 -7.152 1.00 19.88 C ATOM 226 N VAL A 29 -0.191 17.488 -3.250 1.00 13.54 N ATOM 227 CA VAL A 29 -0.440 16.726 -2.033 1.00 13.75 C ATOM 228 C VAL A 29 0.898 16.289 -1.451 1.00 15.29 C ATOM 229 O VAL A 29 1.106 16.322 -0.235 1.00 15.24 O ATOM 230 CB VAL A 29 -1.332 15.496 -2.330 1.00 13.48 C ATOM 231 CG1 VAL A 29 -1.479 14.626 -1.088 1.00 12.73 C ATOM 232 CG2 VAL A 29 -2.702 15.969 -2.805 1.00 11.17 C ATOM 233 N CYS A 30 1.817 15.906 -2.327 1.00 14.34 N ATOM 234 CA CYS A 30 3.136 15.482 -1.882 1.00 16.28 C ATOM 235 C CYS A 30 3.853 16.655 -1.214 1.00 15.78 C ATOM 236 O CYS A 30 4.475 16.498 -0.162 1.00 15.51 O ATOM 237 CB CYS A 30 3.953 14.971 -3.072 1.00 15.32 C ATOM 238 SG CYS A 30 5.587 14.335 -2.604 1.00 18.74 S ATOM 239 N ALA A 31 3.753 17.835 -1.819 1.00 15.58 N ATOM 240 CA ALA A 31 4.399 19.023 -1.270 1.00 15.83 C ATOM 241 C ALA A 31 3.873 19.361 0.130 1.00 16.90 C ATOM 242 O ALA A 31 4.656 19.667 1.027 1.00 17.52 O ATOM 243 CB ALA A 31 4.205 20.210 -2.216 1.00 16.60 C ATOM 244 N ALA A 32 2.555 19.304 0.320 1.00 14.71 N ATOM 245 CA ALA A 32 1.956 19.605 1.624 1.00 13.81 C ATOM 246 C ALA A 32 2.387 18.593 2.690 1.00 14.22 C ATOM 247 O ALA A 32 2.567 18.941 3.856 1.00 15.30 O ATOM 248 CB ALA A 32 0.416 19.625 1.518 1.00 13.02 C ATOM 249 N LYS A 33 2.546 17.340 2.284 1.00 16.17 N ATOM 250 CA LYS A 33 2.951 16.286 3.206 1.00 16.70 C ATOM 251 C LYS A 33 4.321 16.559 3.814 1.00 17.84 C ATOM 252 O LYS A 33 4.485 16.517 5.033 1.00 19.55 O ATOM 253 CB LYS A 33 2.974 14.939 2.482 1.00 17.71 C ATOM 254 CG LYS A 33 3.614 13.803 3.269 1.00 19.64 C ATOM 255 CD LYS A 33 2.867 13.517 4.559 1.00 21.52 C ATOM 256 CE LYS A 33 3.552 12.415 5.358 1.00 24.72 C ATOM 257 NZ LYS A 33 2.812 12.138 6.623 1.00 29.56 N ATOM 258 N PHE A 34 5.303 16.847 2.969 1.00 17.62 N ATOM 259 CA PHE A 34 6.654 17.086 3.460 1.00 19.82 C ATOM 260 C PHE A 34 6.934 18.513 3.912 1.00 20.07 C ATOM 261 O PHE A 34 7.966 18.779 4.532 1.00 21.62 O ATOM 262 CB PHE A 34 7.665 16.639 2.402 1.00 21.81 C ATOM 263 CG PHE A 34 7.622 15.160 2.132 1.00 23.44 C ATOM 264 CD1 PHE A 34 7.968 14.252 3.131 1.00 25.06 C ATOM 265 CD2 PHE A 34 7.181 14.673 0.906 1.00 23.12 C ATOM 266 CE1 PHE A 34 7.867 12.877 2.917 1.00 23.74 C ATOM 267 CE2 PHE A 34 7.076 13.299 0.677 1.00 24.09 C ATOM 268 CZ PHE A 34 7.420 12.398 1.685 1.00 24.55 C ATOM 269 N GLU A 35 6.020 19.431 3.614 1.00 18.96 N ATOM 270 CA GLU A 35 6.196 20.818 4.029 1.00 18.51 C ATOM 271 C GLU A 35 5.583 21.065 5.400 1.00 19.71 C ATOM 272 O GLU A 35 6.188 21.722 6.249 1.00 19.26 O ATOM 273 CB GLU A 35 5.544 21.776 3.025 1.00 18.70 C ATOM 274 CG GLU A 35 6.314 21.992 1.737 1.00 16.72 C ATOM 275 CD GLU A 35 7.564 22.821 1.932 1.00 18.29 C ATOM 276 OE1 GLU A 35 7.751 23.389 3.029 1.00 17.75 O ATOM 277 OE2 GLU A 35 8.358 22.914 0.979 1.00 18.83 O ATOM 278 N SER A 36 4.392 20.514 5.626 1.00 18.72 N ATOM 279 CA SER A 36 3.682 20.738 6.881 1.00 19.81 C ATOM 280 C SER A 36 3.053 19.501 7.509 1.00 20.61 C ATOM 281 O SER A 36 2.399 19.602 8.546 1.00 19.14 O ATOM 282 CB SER A 36 2.566 21.746 6.640 1.00 18.65 C ATOM 283 OG SER A 36 1.566 21.157 5.820 1.00 19.92 O ATOM 284 N ASN A 37 3.231 18.347 6.882 1.00 21.71 N ATOM 285 CA ASN A 37 2.628 17.118 7.380 1.00 23.04 C ATOM 286 C ASN A 37 1.110 17.305 7.477 1.00 22.14 C ATOM 287 O ASN A 37 0.463 16.834 8.413 1.00 21.32 O ATOM 288 CB ASN A 37 3.215 16.740 8.743 1.00 25.68 C ATOM 289 CG ASN A 37 3.070 15.261 9.040 1.00 31.28 C ATOM 290 OD1 ASN A 37 3.254 14.421 8.156 1.00 32.60 O ATOM 291 ND2 ASN A 37 2.750 14.931 10.286 1.00 33.53 N ATOM 292 N PHE A 38 0.562 18.011 6.490 1.00 20.19 N ATOM 293 CA PHE A 38 -0.870 18.282 6.383 1.00 20.19 C ATOM 294 C PHE A 38 -1.483 19.106 7.518 1.00 20.17 C ATOM 295 O PHE A 38 -2.694 19.062 7.727 1.00 20.16 O ATOM 296 CB PHE A 38 -1.649 16.965 6.243 1.00 20.26 C ATOM 297 CG PHE A 38 -1.221 16.114 5.069 1.00 20.32 C ATOM 298 CD1 PHE A 38 -0.950 16.690 3.830 1.00 19.45 C ATOM 299 CD2 PHE A 38 -1.137 14.727 5.193 1.00 20.40 C ATOM 300 CE1 PHE A 38 -0.608 15.902 2.731 1.00 19.52 C ATOM 301 CE2 PHE A 38 -0.796 13.926 4.099 1.00 18.98 C ATOM 302 CZ PHE A 38 -0.530 14.518 2.864 1.00 18.88 C ATOM 303 N ASN A 39 -0.660 19.863 8.241 1.00 18.81 N ATOM 304 CA ASN A 39 -1.157 20.684 9.346 1.00 20.04 C ATOM 305 C ASN A 39 -1.283 22.137 8.889 1.00 19.53 C ATOM 306 O ASN A 39 -0.288 22.759 8.512 1.00 17.60 O ATOM 307 CB ASN A 39 -0.199 20.598 10.543 1.00 21.27 C ATOM 308 CG ASN A 39 -0.849 21.035 11.845 1.00 23.34 C ATOM 309 OD1 ASN A 39 -1.465 22.096 11.921 1.00 24.99 O ATOM 310 ND2 ASN A 39 -0.713 20.212 12.880 1.00 25.42 N ATOM 311 N THR A 40 -2.498 22.681 8.930 1.00 18.33 N ATOM 312 CA THR A 40 -2.719 24.058 8.492 1.00 18.85 C ATOM 313 C THR A 40 -2.089 25.103 9.404 1.00 18.16 C ATOM 314 O THR A 40 -1.966 26.261 9.026 1.00 19.49 O ATOM 315 CB THR A 40 -4.229 24.391 8.367 1.00 20.08 C ATOM 316 OG1 THR A 40 -4.853 24.303 9.654 1.00 20.43 O ATOM 317 CG2 THR A 40 -4.912 23.423 7.396 1.00 21.30 C ATOM 318 N GLN A 41 -1.670 24.698 10.595 1.00 19.00 N ATOM 319 CA GLN A 41 -1.085 25.652 11.531 1.00 19.77 C ATOM 320 C GLN A 41 0.420 25.541 11.716 1.00 19.10 C ATOM 321 O GLN A 41 0.981 26.135 12.637 1.00 18.13 O ATOM 322 CB GLN A 41 -1.775 25.529 12.886 1.00 22.64 C ATOM 323 CG GLN A 41 -3.191 26.056 12.883 1.00 27.32 C ATOM 324 CD GLN A 41 -3.794 26.073 14.263 1.00 30.30 C ATOM 325 OE1 GLN A 41 -3.094 26.301 15.249 1.00 31.87 O ATOM 326 NE2 GLN A 41 -5.102 25.848 14.346 1.00 32.21 N ATOM 327 N ALA A 42 1.073 24.785 10.843 1.00 18.03 N ATOM 328 CA ALA A 42 2.513 24.618 10.924 1.00 18.91 C ATOM 329 C ALA A 42 3.211 25.946 10.645 1.00 18.82 C ATOM 330 O ALA A 42 2.794 26.703 9.773 1.00 17.99 O ATOM 331 CB ALA A 42 2.974 23.567 9.917 1.00 19.35 C ATOM 332 N THR A 43 4.263 26.228 11.405 1.00 20.09 N ATOM 333 CA THR A 43 5.043 27.447 11.223 1.00 21.42 C ATOM 334 C THR A 43 6.506 27.105 11.474 1.00 23.21 C ATOM 335 O THR A 43 6.823 26.279 12.332 1.00 24.46 O ATOM 336 CB THR A 43 4.627 28.572 12.205 1.00 22.84 C ATOM 337 OG1 THR A 43 4.907 28.166 13.549 1.00 25.99 O ATOM 338 CG2 THR A 43 3.153 28.879 12.073 1.00 21.71 C ATOM 339 N ASN A 44 7.394 27.730 10.711 1.00 22.36 N ATOM 340 CA ASN A 44 8.822 27.489 10.859 1.00 24.22 C ATOM 341 C ASN A 44 9.560 28.804 10.695 1.00 23.02 C ATOM 342 O ASN A 44 9.373 29.513 9.702 1.00 21.90 O ATOM 343 CB ASN A 44 9.311 26.491 9.805 1.00 27.14 C ATOM 344 CG ASN A 44 10.785 26.174 9.946 1.00 30.51 C ATOM 345 OD1 ASN A 44 11.208 25.583 10.939 1.00 33.85 O ATOM 346 ND2 ASN A 44 11.580 26.574 8.956 1.00 32.34 N ATOM 347 N ARG A 45 10.400 29.129 11.670 1.00 22.77 N ATOM 348 CA ARG A 45 11.163 30.366 11.629 1.00 24.26 C ATOM 349 C ARG A 45 12.494 30.126 10.920 1.00 23.15 C ATOM 350 O ARG A 45 13.094 29.062 11.059 1.00 23.50 O ATOM 351 CB ARG A 45 11.380 30.879 13.054 1.00 28.23 C ATOM 352 CG ARG A 45 11.973 32.273 13.134 1.00 35.76 C ATOM 353 CD ARG A 45 11.491 32.995 14.383 1.00 41.71 C ATOM 354 NE ARG A 45 12.140 34.292 14.545 1.00 48.33 N ATOM 355 CZ ARG A 45 13.427 34.452 14.842 1.00 51.61 C ATOM 356 NH1 ARG A 45 14.210 33.394 15.015 1.00 53.27 N ATOM 357 NH2 ARG A 45 13.935 35.672 14.958 1.00 54.33 N ATOM 358 N ASN A 46 12.946 31.110 10.148 1.00 23.12 N ATOM 359 CA ASN A 46 14.201 30.980 9.412 1.00 23.52 C ATOM 360 C ASN A 46 15.260 31.954 9.908 1.00 24.17 C ATOM 361 O ASN A 46 14.958 32.878 10.660 1.00 23.04 O ATOM 362 CB ASN A 46 13.966 31.200 7.916 1.00 23.51 C ATOM 363 CG ASN A 46 12.942 30.240 7.339 1.00 25.37 C ATOM 364 OD1 ASN A 46 11.773 30.585 7.175 1.00 27.26 O ATOM 365 ND2 ASN A 46 13.379 29.020 7.042 1.00 24.11 N ATOM 366 N THR A 47 16.498 31.749 9.464 1.00 24.89 N ATOM 367 CA THR A 47 17.619 32.593 9.872 1.00 25.15 C ATOM 368 C THR A 47 17.517 34.042 9.409 1.00 25.81 C ATOM 369 O THR A 47 18.021 34.943 10.081 1.00 25.79 O ATOM 370 CB THR A 47 18.966 32.024 9.369 1.00 26.42 C ATOM 371 OG1 THR A 47 19.022 32.111 7.940 1.00 27.75 O ATOM 372 CG2 THR A 47 19.113 30.572 9.782 1.00 26.36 C ATOM 373 N ASP A 48 16.875 34.276 8.268 1.00 25.25 N ATOM 374 CA ASP A 48 16.745 35.640 7.761 1.00 24.69 C ATOM 375 C ASP A 48 15.629 36.417 8.454 1.00 25.16 C ATOM 376 O ASP A 48 15.297 37.532 8.055 1.00 26.19 O ATOM 377 CB ASP A 48 16.514 35.628 6.246 1.00 25.87 C ATOM 378 CG ASP A 48 15.196 34.977 5.851 1.00 27.24 C ATOM 379 OD1 ASP A 48 14.449 34.519 6.744 1.00 24.40 O ATOM 380 OD2 ASP A 48 14.911 34.926 4.636 1.00 29.07 O ATOM 381 N GLY A 49 15.052 35.826 9.495 1.00 23.40 N ATOM 382 CA GLY A 49 13.986 36.494 10.223 1.00 23.99 C ATOM 383 C GLY A 49 12.598 36.244 9.657 1.00 22.92 C ATOM 384 O GLY A 49 11.606 36.717 10.210 1.00 22.19 O ATOM 385 N SER A 50 12.520 35.502 8.555 1.00 20.47 N ATOM 386 CA SER A 50 11.228 35.209 7.949 1.00 19.71 C ATOM 387 C SER A 50 10.634 33.954 8.576 1.00 18.63 C ATOM 388 O SER A 50 11.319 33.199 9.272 1.00 18.35 O ATOM 389 CB SER A 50 11.369 35.006 6.437 1.00 19.37 C ATOM 390 OG SER A 50 12.008 33.778 6.137 1.00 21.38 O ATOM 391 N THR A 51 9.350 33.738 8.334 1.00 17.88 N ATOM 392 CA THR A 51 8.676 32.569 8.871 1.00 16.28 C ATOM 393 C THR A 51 7.844 31.949 7.754 1.00 15.56 C ATOM 394 O THR A 51 7.315 32.664 6.896 1.00 14.58 O ATOM 395 CB THR A 51 7.755 32.963 10.047 1.00 16.65 C ATOM 396 OG1 THR A 51 8.535 33.591 11.070 1.00 17.71 O ATOM 397 CG2 THR A 51 7.061 31.738 10.628 1.00 15.20 C ATOM 398 N ASP A 52 7.752 30.622 7.754 1.00 15.53 N ATOM 399 CA ASP A 52 6.960 29.912 6.754 1.00 16.20 C ATOM 400 C ASP A 52 5.642 29.582 7.438 1.00 15.77 C ATOM 401 O ASP A 52 5.627 29.058 8.555 1.00 16.30 O ATOM 402 CB ASP A 52 7.673 28.638 6.299 1.00 16.28 C ATOM 403 CG ASP A 52 9.034 28.922 5.686 1.00 21.93 C ATOM 404 OD1 ASP A 52 9.130 29.847 4.852 1.00 23.71 O ATOM 405 OD2 ASP A 52 10.003 28.221 6.031 1.00 23.10 O ATOM 406 N TYR A 53 4.541 29.881 6.755 1.00 15.12 N ATOM 407 CA TYR A 53 3.211 29.697 7.311 1.00 16.71 C ATOM 408 C TYR A 53 2.273 28.739 6.582 1.00 15.96 C ATOM 409 O TYR A 53 2.214 28.712 5.357 1.00 16.31 O ATOM 410 CB TYR A 53 2.507 31.059 7.373 1.00 15.72 C ATOM 411 CG TYR A 53 3.107 32.062 8.328 1.00 16.43 C ATOM 412 CD1 TYR A 53 2.668 32.140 9.647 1.00 18.31 C ATOM 413 CD2 TYR A 53 4.101 32.952 7.910 1.00 16.98 C ATOM 414 CE1 TYR A 53 3.195 33.078 10.529 1.00 18.14 C ATOM 415 CE2 TYR A 53 4.639 33.896 8.788 1.00 16.18 C ATOM 416 CZ TYR A 53 4.179 33.951 10.095 1.00 18.08 C ATOM 417 OH TYR A 53 4.690 34.875 10.974 1.00 19.46 O ATOM 418 N GLY A 54 1.523 27.969 7.362 1.00 18.06 N ATOM 419 CA GLY A 54 0.525 27.082 6.795 1.00 16.06 C ATOM 420 C GLY A 54 0.889 25.763 6.160 1.00 16.52 C ATOM 421 O GLY A 54 2.048 25.339 6.123 1.00 14.86 O ATOM 422 N ILE A 55 -0.147 25.125 5.628 1.00 15.92 N ATOM 423 CA ILE A 55 -0.027 23.824 4.996 1.00 16.32 C ATOM 424 C ILE A 55 0.972 23.795 3.839 1.00 16.00 C ATOM 425 O ILE A 55 1.549 22.748 3.543 1.00 17.05 O ATOM 426 CB ILE A 55 -1.424 23.328 4.544 1.00 17.74 C ATOM 427 CG1 ILE A 55 -1.347 21.859 4.125 1.00 19.39 C ATOM 428 CG2 ILE A 55 -1.971 24.226 3.438 1.00 17.91 C ATOM 429 CD1 ILE A 55 -2.686 21.175 4.134 1.00 23.49 C ATOM 430 N LEU A 56 1.189 24.938 3.193 1.00 16.30 N ATOM 431 CA LEU A 56 2.148 24.998 2.094 1.00 16.29 C ATOM 432 C LEU A 56 3.396 25.810 2.467 1.00 18.15 C ATOM 433 O LEU A 56 4.212 26.147 1.607 1.00 17.89 O ATOM 434 CB LEU A 56 1.489 25.565 0.827 1.00 18.40 C ATOM 435 CG LEU A 56 0.503 24.606 0.139 1.00 21.45 C ATOM 436 CD1 LEU A 56 -0.017 25.222 -1.158 1.00 21.93 C ATOM 437 CD2 LEU A 56 1.196 23.287 -0.161 1.00 22.36 C ATOM 438 N GLN A 57 3.534 26.116 3.754 1.00 16.55 N ATOM 439 CA GLN A 57 4.696 26.847 4.257 1.00 15.96 C ATOM 440 C GLN A 57 5.113 28.028 3.379 1.00 17.75 C ATOM 441 O GLN A 57 6.219 28.060 2.830 1.00 16.42 O ATOM 442 CB GLN A 57 5.864 25.869 4.418 1.00 16.26 C ATOM 443 CG GLN A 57 5.633 24.840 5.519 1.00 16.78 C ATOM 444 CD GLN A 57 5.791 25.436 6.915 1.00 19.37 C ATOM 445 OE1 GLN A 57 6.907 25.627 7.394 1.00 20.54 O ATOM 446 NE2 GLN A 57 4.671 25.745 7.564 1.00 18.14 N ATOM 447 N ILE A 58 4.220 29.004 3.261 1.00 17.52 N ATOM 448 CA ILE A 58 4.481 30.192 2.463 1.00 17.65 C ATOM 449 C ILE A 58 5.313 31.183 3.284 1.00 16.60 C ATOM 450 O ILE A 58 4.982 31.493 4.426 1.00 15.44 O ATOM 451 CB ILE A 58 3.150 30.786 1.990 1.00 18.14 C ATOM 452 CG1 ILE A 58 2.480 29.769 1.053 1.00 19.33 C ATOM 453 CG2 ILE A 58 3.372 32.118 1.292 1.00 18.35 C ATOM 454 CD1 ILE A 58 1.071 30.117 0.639 1.00 20.25 C ATOM 455 N ASN A 59 6.399 31.662 2.680 1.00 16.40 N ATOM 456 CA ASN A 59 7.359 32.556 3.331 1.00 15.95 C ATOM 457 C ASN A 59 6.951 34.023 3.482 1.00 17.30 C ATOM 458 O ASN A 59 6.453 34.647 2.544 1.00 18.61 O ATOM 459 CB ASN A 59 8.701 32.437 2.595 1.00 17.75 C ATOM 460 CG ASN A 59 9.827 33.157 3.305 1.00 18.15 C ATOM 461 OD1 ASN A 59 10.106 34.318 3.026 1.00 21.10 O ATOM 462 ND2 ASN A 59 10.473 32.468 4.236 1.00 20.17 N ATOM 463 N SER A 60 7.189 34.566 4.677 1.00 16.33 N ATOM 464 CA SER A 60 6.834 35.940 5.015 1.00 18.09 C ATOM 465 C SER A 60 7.750 37.012 4.441 1.00 18.99 C ATOM 466 O SER A 60 7.484 38.203 4.600 1.00 18.23 O ATOM 467 CB SER A 60 6.792 36.113 6.534 1.00 18.60 C ATOM 468 OG SER A 60 8.093 35.984 7.089 1.00 17.52 O ATOM 469 N ARG A 61 8.839 36.614 3.798 1.00 19.77 N ATOM 470 CA ARG A 61 9.721 37.621 3.236 1.00 22.13 C ATOM 471 C ARG A 61 9.212 38.095 1.882 1.00 21.59 C ATOM 472 O ARG A 61 9.288 39.282 1.565 1.00 24.07 O ATOM 473 CB ARG A 61 11.141 37.080 3.094 1.00 23.82 C ATOM 474 CG ARG A 61 12.122 38.091 2.526 1.00 27.74 C ATOM 475 CD ARG A 61 13.534 37.538 2.545 1.00 31.85 C ATOM 476 NE ARG A 61 14.491 38.454 1.934 1.00 36.23 N ATOM 477 CZ ARG A 61 15.798 38.223 1.861 1.00 37.21 C ATOM 478 NH1 ARG A 61 16.303 37.101 2.364 1.00 34.79 N ATOM 479 NH2 ARG A 61 16.597 39.113 1.284 1.00 37.75 N ATOM 480 N TRP A 62 8.657 37.178 1.097 1.00 18.96 N ATOM 481 CA TRP A 62 8.178 37.533 -0.232 1.00 17.72 C ATOM 482 C TRP A 62 6.674 37.542 -0.440 1.00 15.82 C ATOM 483 O TRP A 62 6.156 38.381 -1.171 1.00 17.16 O ATOM 484 CB TRP A 62 8.754 36.569 -1.279 1.00 19.59 C ATOM 485 CG TRP A 62 10.219 36.319 -1.177 1.00 23.70 C ATOM 486 CD1 TRP A 62 10.827 35.178 -0.741 1.00 26.00 C ATOM 487 CD2 TRP A 62 11.268 37.235 -1.504 1.00 25.66 C ATOM 488 NE1 TRP A 62 12.194 35.325 -0.776 1.00 26.62 N ATOM 489 CE2 TRP A 62 12.493 36.578 -1.241 1.00 27.14 C ATOM 490 CE3 TRP A 62 11.295 38.546 -1.995 1.00 27.82 C ATOM 491 CZ2 TRP A 62 13.734 37.191 -1.451 1.00 28.53 C ATOM 492 CZ3 TRP A 62 12.532 39.157 -2.205 1.00 30.46 C ATOM 493 CH2 TRP A 62 13.734 38.475 -1.932 1.00 29.24 C ATOM 494 N TRP A 63 5.973 36.625 0.216 1.00 14.55 N ATOM 495 CA TRP A 63 4.555 36.465 -0.044 1.00 16.47 C ATOM 496 C TRP A 63 3.469 37.016 0.855 1.00 15.97 C ATOM 497 O TRP A 63 2.463 37.508 0.349 1.00 19.17 O ATOM 498 CB TRP A 63 4.307 34.976 -0.303 1.00 16.42 C ATOM 499 CG TRP A 63 5.338 34.414 -1.236 1.00 18.05 C ATOM 500 CD1 TRP A 63 6.373 33.580 -0.914 1.00 19.16 C ATOM 501 CD2 TRP A 63 5.476 34.705 -2.631 1.00 20.25 C ATOM 502 NE1 TRP A 63 7.147 33.337 -2.024 1.00 19.38 N ATOM 503 CE2 TRP A 63 6.620 34.015 -3.090 1.00 18.80 C ATOM 504 CE3 TRP A 63 4.744 35.486 -3.538 1.00 19.47 C ATOM 505 CZ2 TRP A 63 7.050 34.081 -4.421 1.00 20.83 C ATOM 506 CZ3 TRP A 63 5.173 35.552 -4.860 1.00 21.76 C ATOM 507 CH2 TRP A 63 6.317 34.852 -5.288 1.00 21.75 C ATOM 508 N CYS A 64 3.630 36.920 2.169 1.00 14.49 N ATOM 509 CA CYS A 64 2.605 37.439 3.068 1.00 16.13 C ATOM 510 C CYS A 64 3.247 38.360 4.099 1.00 16.94 C ATOM 511 O CYS A 64 4.455 38.318 4.319 1.00 17.39 O ATOM 512 CB CYS A 64 1.878 36.287 3.771 1.00 15.26 C ATOM 513 SG CYS A 64 2.974 35.231 4.774 1.00 16.50 S ATOM 514 N ASN A 65 2.439 39.199 4.730 1.00 19.42 N ATOM 515 CA ASN A 65 2.970 40.115 5.730 1.00 20.86 C ATOM 516 C ASN A 65 2.652 39.670 7.154 1.00 20.14 C ATOM 517 O ASN A 65 1.497 39.414 7.485 1.00 19.49 O ATOM 518 CB ASN A 65 2.419 41.525 5.504 1.00 24.60 C ATOM 519 CG ASN A 65 2.903 42.512 6.555 1.00 27.97 C ATOM 520 OD1 ASN A 65 2.431 42.512 7.690 1.00 33.43 O ATOM 521 ND2 ASN A 65 3.862 43.347 6.183 1.00 33.40 N ATOM 522 N ASP A 66 3.679 39.556 7.991 1.00 19.20 N ATOM 523 CA ASP A 66 3.446 39.178 9.377 1.00 20.72 C ATOM 524 C ASP A 66 3.903 40.298 10.312 1.00 20.96 C ATOM 525 O ASP A 66 3.923 40.138 11.527 1.00 22.18 O ATOM 526 CB ASP A 66 4.125 37.840 9.725 1.00 18.09 C ATOM 527 CG ASP A 66 5.643 37.896 9.666 1.00 20.21 C ATOM 528 OD1 ASP A 66 6.223 38.962 9.367 1.00 21.17 O ATOM 529 OD2 ASP A 66 6.262 36.843 9.926 1.00 19.28 O ATOM 530 N GLY A 67 4.260 41.435 9.718 1.00 21.85 N ATOM 531 CA GLY A 67 4.679 42.602 10.479 1.00 21.75 C ATOM 532 C GLY A 67 5.997 42.541 11.229 1.00 23.37 C ATOM 533 O GLY A 67 6.386 43.526 11.861 1.00 21.80 O ATOM 534 N ARG A 68 6.694 41.411 11.161 1.00 24.04 N ATOM 535 CA ARG A 68 7.965 41.276 11.870 1.00 24.48 C ATOM 536 C ARG A 68 9.110 40.772 10.998 1.00 25.09 C ATOM 537 O ARG A 68 10.145 40.334 11.513 1.00 26.34 O ATOM 538 CB ARG A 68 7.806 40.338 13.068 1.00 26.78 C ATOM 539 CG ARG A 68 7.402 38.908 12.712 1.00 30.29 C ATOM 540 CD ARG A 68 7.857 37.952 13.804 1.00 35.18 C ATOM 541 NE ARG A 68 9.305 38.060 13.985 1.00 43.17 N ATOM 542 CZ ARG A 68 9.990 37.517 14.986 1.00 45.50 C ATOM 543 NH1 ARG A 68 11.305 37.683 15.049 1.00 46.66 N ATOM 544 NH2 ARG A 68 9.365 36.813 15.923 1.00 47.59 N ATOM 545 N THR A 69 8.932 40.845 9.684 1.00 23.88 N ATOM 546 CA THR A 69 9.947 40.376 8.753 1.00 23.66 C ATOM 547 C THR A 69 10.541 41.525 7.946 1.00 25.29 C ATOM 548 O THR A 69 9.831 42.225 7.223 1.00 25.54 O ATOM 549 CB THR A 69 9.355 39.337 7.777 1.00 22.67 C ATOM 550 OG1 THR A 69 8.676 38.314 8.523 1.00 19.74 O ATOM 551 CG2 THR A 69 10.461 38.705 6.935 1.00 19.78 C ATOM 552 N PRO A 70 11.860 41.738 8.062 1.00 27.59 N ATOM 553 CA PRO A 70 12.533 42.814 7.327 1.00 29.33 C ATOM 554 C PRO A 70 12.591 42.551 5.825 1.00 30.15 C ATOM 555 O PRO A 70 12.875 41.433 5.393 1.00 32.48 O ATOM 556 CB PRO A 70 13.920 42.843 7.963 1.00 29.69 C ATOM 557 CG PRO A 70 14.146 41.406 8.311 1.00 31.37 C ATOM 558 CD PRO A 70 12.814 41.021 8.926 1.00 29.22 C ATOM 559 N GLY A 71 12.313 43.585 5.038 1.00 31.57 N ATOM 560 CA GLY A 71 12.347 43.456 3.592 1.00 33.62 C ATOM 561 C GLY A 71 11.196 42.678 2.981 1.00 35.00 C ATOM 562 O GLY A 71 11.309 42.175 1.861 1.00 35.56 O ATOM 563 N SER A 72 10.085 42.580 3.702 1.00 34.81 N ATOM 564 CA SER A 72 8.927 41.849 3.204 1.00 34.68 C ATOM 565 C SER A 72 8.295 42.567 2.016 1.00 34.01 C ATOM 566 O SER A 72 8.201 43.797 2.001 1.00 34.65 O ATOM 567 CB SER A 72 7.894 41.670 4.320 1.00 36.14 C ATOM 568 OG SER A 72 7.503 42.920 4.855 1.00 40.54 O ATOM 569 N ARG A 73 7.862 41.794 1.024 1.00 30.58 N ATOM 570 CA ARG A 73 7.251 42.353 -0.176 1.00 29.76 C ATOM 571 C ARG A 73 5.752 42.090 -0.294 1.00 27.74 C ATOM 572 O ARG A 73 5.068 42.741 -1.084 1.00 27.65 O ATOM 573 CB ARG A 73 7.961 41.820 -1.422 1.00 31.47 C ATOM 574 CG ARG A 73 9.388 42.316 -1.574 1.00 37.08 C ATOM 575 CD ARG A 73 9.915 42.036 -2.972 1.00 42.72 C ATOM 576 NE ARG A 73 11.242 42.610 -3.190 1.00 48.97 N ATOM 577 CZ ARG A 73 11.521 43.908 -3.105 1.00 51.50 C ATOM 578 NH1 ARG A 73 12.757 44.338 -3.319 1.00 53.37 N ATOM 579 NH2 ARG A 73 10.565 44.780 -2.805 1.00 53.49 N ATOM 580 N ASN A 74 5.248 41.128 0.474 1.00 25.15 N ATOM 581 CA ASN A 74 3.821 40.798 0.468 1.00 23.84 C ATOM 582 C ASN A 74 3.236 40.725 -0.945 1.00 22.92 C ATOM 583 O ASN A 74 2.272 41.424 -1.260 1.00 23.57 O ATOM 584 CB ASN A 74 3.056 41.847 1.277 1.00 24.94 C ATOM 585 CG ASN A 74 1.635 41.423 1.593 1.00 25.43 C ATOM 586 OD1 ASN A 74 0.819 42.233 2.033 1.00 28.63 O ATOM 587 ND2 ASN A 74 1.336 40.152 1.380 1.00 19.00 N ATOM 588 N LEU A 75 3.806 39.873 -1.791 1.00 21.32 N ATOM 589 CA LEU A 75 3.330 39.744 -3.165 1.00 20.93 C ATOM 590 C LEU A 75 1.969 39.059 -3.315 1.00 21.81 C ATOM 591 O LEU A 75 1.350 39.141 -4.378 1.00 21.79 O ATOM 592 CB LEU A 75 4.384 39.031 -4.020 1.00 21.19 C ATOM 593 CG LEU A 75 5.664 39.861 -4.195 1.00 23.01 C ATOM 594 CD1 LEU A 75 6.715 39.062 -4.941 1.00 23.66 C ATOM 595 CD2 LEU A 75 5.333 41.146 -4.939 1.00 24.54 C ATOM 596 N CYS A 76 1.504 38.378 -2.271 1.00 19.86 N ATOM 597 CA CYS A 76 0.191 37.740 -2.330 1.00 20.82 C ATOM 598 C CYS A 76 -0.848 38.675 -1.731 1.00 21.31 C ATOM 599 O CYS A 76 -2.048 38.383 -1.732 1.00 21.13 O ATOM 600 CB CYS A 76 0.192 36.415 -1.575 1.00 19.33 C ATOM 601 SG CYS A 76 0.851 35.041 -2.563 1.00 17.95 S ATOM 602 N ASN A 77 -0.360 39.798 -1.218 1.00 22.73 N ATOM 603 CA ASN A 77 -1.190 40.835 -0.611 1.00 24.50 C ATOM 604 C ASN A 77 -2.135 40.290 0.445 1.00 23.81 C ATOM 605 O ASN A 77 -3.348 40.499 0.373 1.00 24.14 O ATOM 606 CB ASN A 77 -1.989 41.564 -1.695 1.00 27.72 C ATOM 607 CG ASN A 77 -2.585 42.864 -1.199 1.00 30.58 C ATOM 608 OD1 ASN A 77 -1.888 43.693 -0.614 1.00 33.62 O ATOM 609 ND2 ASN A 77 -3.876 43.053 -1.435 1.00 34.06 N ATOM 610 N ILE A 78 -1.575 39.596 1.431 1.00 22.40 N ATOM 611 CA ILE A 78 -2.370 39.018 2.509 1.00 21.96 C ATOM 612 C ILE A 78 -1.573 38.892 3.798 1.00 21.87 C ATOM 613 O ILE A 78 -0.351 38.747 3.772 1.00 21.87 O ATOM 614 CB ILE A 78 -2.851 37.589 2.174 1.00 24.33 C ATOM 615 CG1 ILE A 78 -1.646 36.721 1.807 1.00 23.69 C ATOM 616 CG2 ILE A 78 -3.882 37.613 1.064 1.00 27.23 C ATOM 617 CD1 ILE A 78 -1.969 35.251 1.687 1.00 27.17 C ATOM 618 N PRO A 79 -2.258 38.954 4.948 1.00 20.45 N ATOM 619 CA PRO A 79 -1.553 38.819 6.224 1.00 21.07 C ATOM 620 C PRO A 79 -1.211 37.335 6.330 1.00 19.28 C ATOM 621 O PRO A 79 -1.990 36.492 5.880 1.00 17.28 O ATOM 622 CB PRO A 79 -2.601 39.256 7.247 1.00 20.86 C ATOM 623 CG PRO A 79 -3.887 38.863 6.599 1.00 22.54 C ATOM 624 CD PRO A 79 -3.672 39.304 5.166 1.00 21.77 C ATOM 625 N CYS A 80 -0.056 37.005 6.900 1.00 17.72 N ATOM 626 CA CYS A 80 0.322 35.599 7.010 1.00 18.75 C ATOM 627 C CYS A 80 -0.643 34.804 7.884 1.00 19.28 C ATOM 628 O CYS A 80 -0.788 33.597 7.710 1.00 18.49 O ATOM 629 CB CYS A 80 1.737 35.452 7.567 1.00 18.24 C ATOM 630 SG CYS A 80 3.053 36.204 6.554 1.00 17.63 S ATOM 631 N SER A 81 -1.296 35.480 8.825 1.00 20.90 N ATOM 632 CA SER A 81 -2.243 34.817 9.719 1.00 22.33 C ATOM 633 C SER A 81 -3.376 34.142 8.945 1.00 23.01 C ATOM 634 O SER A 81 -3.942 33.146 9.399 1.00 25.04 O ATOM 635 CB SER A 81 -2.844 35.829 10.697 1.00 24.77 C ATOM 636 OG SER A 81 -3.625 36.787 10.003 1.00 27.10 O ATOM 637 N ALA A 82 -3.708 34.690 7.781 1.00 21.76 N ATOM 638 CA ALA A 82 -4.778 34.132 6.957 1.00 22.38 C ATOM 639 C ALA A 82 -4.400 32.767 6.395 1.00 22.64 C ATOM 640 O ALA A 82 -5.269 31.990 5.993 1.00 23.01 O ATOM 641 CB ALA A 82 -5.113 35.090 5.814 1.00 23.65 C ATOM 642 N LEU A 83 -3.101 32.476 6.372 1.00 21.37 N ATOM 643 CA LEU A 83 -2.616 31.203 5.852 1.00 21.40 C ATOM 644 C LEU A 83 -2.664 30.084 6.896 1.00 21.99 C ATOM 645 O LEU A 83 -2.346 28.934 6.598 1.00 22.10 O ATOM 646 CB LEU A 83 -1.185 31.365 5.335 1.00 21.03 C ATOM 647 CG LEU A 83 -0.975 32.431 4.254 1.00 20.82 C ATOM 648 CD1 LEU A 83 0.490 32.459 3.835 1.00 18.82 C ATOM 649 CD2 LEU A 83 -1.862 32.131 3.056 1.00 20.71 C ATOM 650 N LEU A 84 -3.069 30.420 8.117 1.00 22.15 N ATOM 651 CA LEU A 84 -3.143 29.429 9.188 1.00 23.49 C ATOM 652 C LEU A 84 -4.587 29.002 9.444 1.00 25.48 C ATOM 653 O LEU A 84 -4.893 28.382 10.463 1.00 27.01 O ATOM 654 CB LEU A 84 -2.538 30.002 10.474 1.00 23.70 C ATOM 655 CG LEU A 84 -1.069 30.442 10.427 1.00 22.35 C ATOM 656 CD1 LEU A 84 -0.698 31.113 11.738 1.00 24.48 C ATOM 657 CD2 LEU A 84 -0.174 29.250 10.162 1.00 22.71 C ATOM 658 N SER A 85 -5.470 29.339 8.511 1.00 25.16 N ATOM 659 CA SER A 85 -6.883 29.004 8.628 1.00 26.41 C ATOM 660 C SER A 85 -7.151 27.545 8.297 1.00 26.46 C ATOM 661 O SER A 85 -6.342 26.894 7.634 1.00 25.03 O ATOM 662 CB SER A 85 -7.705 29.884 7.688 1.00 27.91 C ATOM 663 OG SER A 85 -9.029 29.395 7.576 1.00 30.10 O ATOM 664 N SER A 86 -8.293 27.036 8.757 1.00 25.77 N ATOM 665 CA SER A 86 -8.673 25.655 8.485 1.00 26.59 C ATOM 666 C SER A 86 -9.106 25.502 7.030 1.00 25.51 C ATOM 667 O SER A 86 -9.028 24.412 6.466 1.00 26.77 O ATOM 668 CB SER A 86 -9.796 25.212 9.426 1.00 29.17 C ATOM 669 OG SER A 86 -9.284 25.012 10.732 1.00 33.85 O ATOM 670 N ASP A 87 -9.570 26.597 6.434 1.00 23.76 N ATOM 671 CA ASP A 87 -9.969 26.603 5.031 1.00 24.42 C ATOM 672 C ASP A 87 -8.717 26.979 4.238 1.00 22.14 C ATOM 673 O ASP A 87 -8.151 28.054 4.443 1.00 20.34 O ATOM 674 CB ASP A 87 -11.073 27.637 4.784 1.00 28.09 C ATOM 675 CG ASP A 87 -11.227 27.986 3.308 1.00 33.39 C ATOM 676 OD1 ASP A 87 -11.157 27.071 2.460 1.00 36.66 O ATOM 677 OD2 ASP A 87 -11.428 29.178 2.994 1.00 37.29 O ATOM 678 N ILE A 88 -8.296 26.104 3.330 1.00 19.66 N ATOM 679 CA ILE A 88 -7.083 26.339 2.544 1.00 18.95 C ATOM 680 C ILE A 88 -7.166 27.336 1.386 1.00 18.34 C ATOM 681 O ILE A 88 -6.174 27.544 0.691 1.00 17.93 O ATOM 682 CB ILE A 88 -6.533 25.010 1.971 1.00 19.67 C ATOM 683 CG1 ILE A 88 -7.523 24.423 0.958 1.00 18.67 C ATOM 684 CG2 ILE A 88 -6.283 24.020 3.107 1.00 21.52 C ATOM 685 CD1 ILE A 88 -6.981 23.231 0.179 1.00 22.50 C ATOM 686 N THR A 89 -8.324 27.960 1.180 1.00 18.38 N ATOM 687 CA THR A 89 -8.484 28.908 0.078 1.00 19.72 C ATOM 688 C THR A 89 -7.357 29.938 -0.042 1.00 19.62 C ATOM 689 O THR A 89 -6.750 30.081 -1.109 1.00 20.00 O ATOM 690 CB THR A 89 -9.825 29.675 0.176 1.00 21.72 C ATOM 691 OG1 THR A 89 -10.917 28.744 0.160 1.00 22.54 O ATOM 692 CG2 THR A 89 -9.977 30.630 -1.003 1.00 24.95 C ATOM 693 N ALA A 90 -7.084 30.659 1.042 1.00 18.51 N ATOM 694 CA ALA A 90 -6.040 31.685 1.033 1.00 19.14 C ATOM 695 C ALA A 90 -4.682 31.111 0.631 1.00 17.75 C ATOM 696 O ALA A 90 -3.966 31.700 -0.185 1.00 18.11 O ATOM 697 CB ALA A 90 -5.943 32.353 2.412 1.00 17.22 C ATOM 698 N SER A 91 -4.330 29.963 1.203 1.00 15.60 N ATOM 699 CA SER A 91 -3.058 29.320 0.884 1.00 16.30 C ATOM 700 C SER A 91 -3.006 28.889 -0.584 1.00 17.33 C ATOM 701 O SER A 91 -1.988 29.073 -1.250 1.00 15.32 O ATOM 702 CB SER A 91 -2.828 28.101 1.781 1.00 16.20 C ATOM 703 OG SER A 91 -2.541 28.489 3.114 1.00 13.95 O ATOM 704 N VAL A 92 -4.100 28.317 -1.086 1.00 16.43 N ATOM 705 CA VAL A 92 -4.145 27.879 -2.479 1.00 16.12 C ATOM 706 C VAL A 92 -4.011 29.062 -3.437 1.00 16.24 C ATOM 707 O VAL A 92 -3.219 29.014 -4.381 1.00 15.14 O ATOM 708 CB VAL A 92 -5.464 27.129 -2.802 1.00 17.51 C ATOM 709 CG1 VAL A 92 -5.581 26.891 -4.305 1.00 17.25 C ATOM 710 CG2 VAL A 92 -5.496 25.799 -2.062 1.00 18.82 C ATOM 711 N ASN A 93 -4.785 30.117 -3.194 1.00 15.69 N ATOM 712 CA ASN A 93 -4.739 31.296 -4.054 1.00 18.73 C ATOM 713 C ASN A 93 -3.350 31.905 -4.115 1.00 17.25 C ATOM 714 O ASN A 93 -2.908 32.342 -5.173 1.00 19.21 O ATOM 715 CB ASN A 93 -5.749 32.350 -3.593 1.00 22.77 C ATOM 716 CG ASN A 93 -7.180 31.924 -3.845 1.00 27.98 C ATOM 717 OD1 ASN A 93 -7.460 31.210 -4.807 1.00 31.69 O ATOM 718 ND2 ASN A 93 -8.096 32.368 -2.991 1.00 29.67 N ATOM 719 N CYS A 94 -2.657 31.929 -2.985 1.00 16.07 N ATOM 720 CA CYS A 94 -1.308 32.482 -2.959 1.00 17.14 C ATOM 721 C CYS A 94 -0.337 31.521 -3.659 1.00 15.75 C ATOM 722 O CYS A 94 0.545 31.955 -4.396 1.00 16.10 O ATOM 723 CB CYS A 94 -0.882 32.750 -1.511 1.00 14.48 C ATOM 724 SG CYS A 94 0.787 33.460 -1.295 1.00 14.93 S ATOM 725 N ALA A 95 -0.511 30.217 -3.447 1.00 15.37 N ATOM 726 CA ALA A 95 0.356 29.224 -4.085 1.00 16.35 C ATOM 727 C ALA A 95 0.282 29.340 -5.604 1.00 17.29 C ATOM 728 O ALA A 95 1.282 29.157 -6.300 1.00 16.22 O ATOM 729 CB ALA A 95 -0.041 27.810 -3.654 1.00 16.53 C ATOM 730 N LYS A 96 -0.908 29.637 -6.120 1.00 17.29 N ATOM 731 CA LYS A 96 -1.084 29.781 -7.560 1.00 17.41 C ATOM 732 C LYS A 96 -0.262 30.955 -8.091 1.00 18.33 C ATOM 733 O LYS A 96 0.249 30.906 -9.210 1.00 18.54 O ATOM 734 CB LYS A 96 -2.560 29.987 -7.900 1.00 16.87 C ATOM 735 CG LYS A 96 -3.424 28.738 -7.741 1.00 15.87 C ATOM 736 CD LYS A 96 -4.892 29.069 -8.009 1.00 16.71 C ATOM 737 CE LYS A 96 -5.773 27.827 -7.943 1.00 19.46 C ATOM 738 NZ LYS A 96 -7.201 28.148 -8.236 1.00 21.36 N ATOM 739 N LYS A 97 -0.135 32.006 -7.286 1.00 18.37 N ATOM 740 CA LYS A 97 0.640 33.174 -7.686 1.00 19.12 C ATOM 741 C LYS A 97 2.133 32.857 -7.608 1.00 20.42 C ATOM 742 O LYS A 97 2.915 33.316 -8.436 1.00 21.62 O ATOM 743 CB LYS A 97 0.298 34.368 -6.786 1.00 20.24 C ATOM 744 CG LYS A 97 -1.172 34.774 -6.856 1.00 22.23 C ATOM 745 CD LYS A 97 -1.505 35.884 -5.876 1.00 26.74 C ATOM 746 CE LYS A 97 -2.990 36.230 -5.920 1.00 28.81 C ATOM 747 NZ LYS A 97 -3.325 37.347 -4.988 1.00 30.07 N ATOM 748 N ILE A 98 2.520 32.066 -6.612 1.00 19.30 N ATOM 749 CA ILE A 98 3.914 31.677 -6.435 1.00 20.86 C ATOM 750 C ILE A 98 4.390 30.794 -7.589 1.00 23.93 C ATOM 751 O ILE A 98 5.443 31.041 -8.173 1.00 22.88 O ATOM 752 CB ILE A 98 4.109 30.905 -5.112 1.00 21.35 C ATOM 753 CG1 ILE A 98 3.798 31.822 -3.926 1.00 20.42 C ATOM 754 CG2 ILE A 98 5.535 30.372 -5.015 1.00 20.33 C ATOM 755 CD1 ILE A 98 3.764 31.103 -2.584 1.00 19.95 C ATOM 756 N VAL A 99 3.609 29.771 -7.926 1.00 26.19 N ATOM 757 CA VAL A 99 3.989 28.855 -8.998 1.00 29.40 C ATOM 758 C VAL A 99 4.012 29.536 -10.365 1.00 32.91 C ATOM 759 O VAL A 99 4.658 29.053 -11.300 1.00 33.57 O ATOM 760 CB VAL A 99 3.043 27.630 -9.052 1.00 28.58 C ATOM 761 CG1 VAL A 99 1.715 28.017 -9.669 1.00 29.66 C ATOM 762 CG2 VAL A 99 3.695 26.506 -9.837 1.00 29.92 C ATOM 763 N SER A 100 3.305 30.656 -10.480 1.00 34.19 N ATOM 764 CA SER A 100 3.259 31.406 -11.730 1.00 37.81 C ATOM 765 C SER A 100 4.413 32.400 -11.768 1.00 40.16 C ATOM 766 O SER A 100 4.569 33.145 -12.732 1.00 40.35 O ATOM 767 CB SER A 100 1.935 32.163 -11.848 1.00 36.57 C ATOM 768 OG SER A 100 0.832 31.280 -11.778 1.00 38.24 O ATOM 769 N ASP A 101 5.211 32.400 -10.703 1.00 44.14 N ATOM 770 CA ASP A 101 6.363 33.290 -10.561 1.00 47.01 C ATOM 771 C ASP A 101 7.406 33.102 -11.655 1.00 48.15 C ATOM 772 O ASP A 101 8.039 34.067 -12.093 1.00 48.96 O ATOM 773 CB ASP A 101 7.009 33.079 -9.184 1.00 49.69 C ATOM 774 CG ASP A 101 8.368 33.750 -9.056 1.00 52.50 C ATOM 775 OD1 ASP A 101 9.335 33.277 -9.692 1.00 54.27 O ATOM 776 OD2 ASP A 101 8.468 34.751 -8.314 1.00 52.53 O ATOM 777 N GLY A 102 7.592 31.860 -12.090 1.00 47.51 N ATOM 778 CA GLY A 102 8.563 31.593 -13.133 1.00 46.74 C ATOM 779 C GLY A 102 9.535 30.486 -12.784 1.00 45.72 C ATOM 780 O GLY A 102 10.467 30.215 -13.542 1.00 45.87 O ATOM 781 N ASN A 103 9.330 29.845 -11.638 1.00 43.83 N ATOM 782 CA ASN A 103 10.210 28.761 -11.225 1.00 41.14 C ATOM 783 C ASN A 103 9.422 27.528 -10.795 1.00 37.47 C ATOM 784 O ASN A 103 9.921 26.690 -10.044 1.00 36.01 O ATOM 785 CB ASN A 103 11.129 29.226 -10.093 1.00 44.43 C ATOM 786 CG ASN A 103 12.230 28.224 -9.788 1.00 46.99 C ATOM 787 OD1 ASN A 103 12.940 27.767 -10.688 1.00 48.45 O ATOM 788 ND2 ASN A 103 12.381 27.883 -8.513 1.00 50.07 N ATOM 789 N GLY A 104 8.189 27.423 -11.283 1.00 33.57 N ATOM 790 CA GLY A 104 7.353 26.283 -10.954 1.00 29.58 C ATOM 791 C GLY A 104 7.265 25.999 -9.468 1.00 27.24 C ATOM 792 O GLY A 104 7.231 26.918 -8.651 1.00 27.35 O ATOM 793 N MET A 105 7.242 24.720 -9.112 1.00 24.57 N ATOM 794 CA MET A 105 7.140 24.336 -7.713 1.00 22.60 C ATOM 795 C MET A 105 8.478 24.245 -6.997 1.00 22.18 C ATOM 796 O MET A 105 8.553 23.734 -5.881 1.00 20.74 O ATOM 797 CB MET A 105 6.385 23.008 -7.580 1.00 22.28 C ATOM 798 CG MET A 105 4.895 23.121 -7.885 1.00 22.88 C ATOM 799 SD MET A 105 4.010 21.587 -7.556 1.00 22.40 S ATOM 800 CE MET A 105 3.994 21.606 -5.761 1.00 20.85 C ATOM 801 N ASN A 106 9.541 24.735 -7.627 1.00 23.30 N ATOM 802 CA ASN A 106 10.843 24.702 -6.971 1.00 25.27 C ATOM 803 C ASN A 106 10.867 25.683 -5.796 1.00 26.11 C ATOM 804 O ASN A 106 11.825 25.713 -5.019 1.00 25.25 O ATOM 805 CB ASN A 106 11.963 25.031 -7.962 1.00 27.24 C ATOM 806 CG ASN A 106 12.218 23.903 -8.940 1.00 28.48 C ATOM 807 OD1 ASN A 106 12.492 22.768 -8.542 1.00 29.86 O ATOM 808 ND2 ASN A 106 12.128 24.206 -10.228 1.00 31.53 N ATOM 809 N ALA A 107 9.806 26.481 -5.668 1.00 24.93 N ATOM 810 CA ALA A 107 9.699 27.439 -4.572 1.00 22.79 C ATOM 811 C ALA A 107 9.543 26.665 -3.264 1.00 23.10 C ATOM 812 O ALA A 107 9.779 27.194 -2.177 1.00 22.83 O ATOM 813 CB ALA A 107 8.494 28.353 -4.785 1.00 24.47 C ATOM 814 N TRP A 108 9.136 25.406 -3.379 1.00 20.41 N ATOM 815 CA TRP A 108 8.955 24.557 -2.214 1.00 19.91 C ATOM 816 C TRP A 108 10.112 23.573 -2.121 1.00 20.92 C ATOM 817 O TRP A 108 10.209 22.635 -2.910 1.00 20.90 O ATOM 818 CB TRP A 108 7.611 23.824 -2.309 1.00 18.70 C ATOM 819 CG TRP A 108 6.455 24.744 -2.068 1.00 19.06 C ATOM 820 CD1 TRP A 108 6.020 25.211 -0.861 1.00 20.79 C ATOM 821 CD2 TRP A 108 5.619 25.360 -3.060 1.00 20.82 C ATOM 822 NE1 TRP A 108 4.965 26.079 -1.037 1.00 20.86 N ATOM 823 CE2 TRP A 108 4.699 26.190 -2.375 1.00 20.85 C ATOM 824 CE3 TRP A 108 5.560 25.295 -4.460 1.00 20.23 C ATOM 825 CZ2 TRP A 108 3.729 26.947 -3.043 1.00 20.21 C ATOM 826 CZ3 TRP A 108 4.595 26.051 -5.125 1.00 21.20 C ATOM 827 CH2 TRP A 108 3.691 26.867 -4.412 1.00 20.35 C ATOM 828 N VAL A 109 10.994 23.810 -1.153 1.00 22.17 N ATOM 829 CA VAL A 109 12.170 22.974 -0.937 1.00 23.48 C ATOM 830 C VAL A 109 11.833 21.495 -0.802 1.00 22.12 C ATOM 831 O VAL A 109 12.436 20.651 -1.467 1.00 23.68 O ATOM 832 CB VAL A 109 12.932 23.406 0.336 1.00 23.93 C ATOM 833 CG1 VAL A 109 14.223 22.611 0.462 1.00 25.32 C ATOM 834 CG2 VAL A 109 13.225 24.902 0.286 1.00 29.96 C ATOM 835 N ALA A 110 10.870 21.188 0.061 1.00 22.40 N ATOM 836 CA ALA A 110 10.461 19.807 0.301 1.00 21.78 C ATOM 837 C ALA A 110 9.974 19.127 -0.974 1.00 21.92 C ATOM 838 O ALA A 110 10.173 17.923 -1.152 1.00 21.97 O ATOM 839 CB ALA A 110 9.373 19.762 1.372 1.00 21.59 C ATOM 840 N TRP A 111 9.332 19.890 -1.856 1.00 21.19 N ATOM 841 CA TRP A 111 8.847 19.325 -3.112 1.00 20.82 C ATOM 842 C TRP A 111 10.040 18.966 -3.992 1.00 21.48 C ATOM 843 O TRP A 111 10.098 17.871 -4.560 1.00 19.66 O ATOM 844 CB TRP A 111 7.959 20.318 -3.868 1.00 21.20 C ATOM 845 CG TRP A 111 7.527 19.790 -5.209 1.00 21.57 C ATOM 846 CD1 TRP A 111 6.490 18.929 -5.462 1.00 20.59 C ATOM 847 CD2 TRP A 111 8.180 20.010 -6.464 1.00 22.29 C ATOM 848 NE1 TRP A 111 6.464 18.598 -6.797 1.00 19.81 N ATOM 849 CE2 TRP A 111 7.490 19.245 -7.434 1.00 22.98 C ATOM 850 CE3 TRP A 111 9.285 20.777 -6.865 1.00 23.86 C ATOM 851 CZ2 TRP A 111 7.872 19.224 -8.781 1.00 23.73 C ATOM 852 CZ3 TRP A 111 9.664 20.756 -8.204 1.00 23.17 C ATOM 853 CH2 TRP A 111 8.958 19.982 -9.146 1.00 24.48 C ATOM 854 N ARG A 112 10.988 19.896 -4.104 1.00 23.61 N ATOM 855 CA ARG A 112 12.180 19.673 -4.920 1.00 25.43 C ATOM 856 C ARG A 112 12.946 18.452 -4.447 1.00 24.03 C ATOM 857 O ARG A 112 13.346 17.606 -5.245 1.00 25.47 O ATOM 858 CB ARG A 112 13.133 20.871 -4.853 1.00 28.41 C ATOM 859 CG ARG A 112 12.562 22.187 -5.326 1.00 35.80 C ATOM 860 CD ARG A 112 13.625 23.283 -5.304 1.00 39.38 C ATOM 861 NE ARG A 112 14.294 23.396 -4.007 1.00 44.19 N ATOM 862 CZ ARG A 112 14.600 24.551 -3.420 1.00 45.60 C ATOM 863 NH1 ARG A 112 14.294 25.700 -4.010 1.00 46.84 N ATOM 864 NH2 ARG A 112 15.212 24.561 -2.241 1.00 46.83 N ATOM 865 N ASN A 113 13.150 18.370 -3.140 1.00 23.51 N ATOM 866 CA ASN A 113 13.911 17.276 -2.556 1.00 25.85 C ATOM 867 C ASN A 113 13.215 15.929 -2.428 1.00 26.57 C ATOM 868 O ASN A 113 13.864 14.893 -2.566 1.00 28.30 O ATOM 869 CB ASN A 113 14.429 17.689 -1.175 1.00 24.57 C ATOM 870 CG ASN A 113 15.427 18.829 -1.241 1.00 24.81 C ATOM 871 OD1 ASN A 113 15.747 19.446 -0.224 1.00 26.92 O ATOM 872 ND2 ASN A 113 15.931 19.110 -2.438 1.00 22.58 N ATOM 873 N ARG A 114 11.908 15.923 -2.182 1.00 26.01 N ATOM 874 CA ARG A 114 11.227 14.653 -1.974 1.00 26.11 C ATOM 875 C ARG A 114 10.055 14.264 -2.866 1.00 25.21 C ATOM 876 O ARG A 114 9.536 13.154 -2.737 1.00 25.90 O ATOM 877 CB ARG A 114 10.797 14.574 -0.509 1.00 28.32 C ATOM 878 CG ARG A 114 11.922 14.945 0.445 1.00 33.30 C ATOM 879 CD ARG A 114 11.646 14.468 1.846 1.00 36.01 C ATOM 880 NE ARG A 114 11.488 13.019 1.881 1.00 39.54 N ATOM 881 CZ ARG A 114 11.329 12.313 2.993 1.00 41.21 C ATOM 882 NH1 ARG A 114 11.311 12.924 4.170 1.00 42.59 N ATOM 883 NH2 ARG A 114 11.173 10.997 2.926 1.00 41.52 N ATOM 884 N CYS A 115 9.637 15.148 -3.765 1.00 23.19 N ATOM 885 CA CYS A 115 8.512 14.842 -4.648 1.00 22.43 C ATOM 886 C CYS A 115 8.913 14.798 -6.114 1.00 23.43 C ATOM 887 O CYS A 115 8.567 13.865 -6.841 1.00 23.73 O ATOM 888 CB CYS A 115 7.398 15.877 -4.461 1.00 18.99 C ATOM 889 SG CYS A 115 6.781 15.969 -2.755 1.00 19.17 S ATOM 890 N LYS A 116 9.636 15.821 -6.543 1.00 25.96 N ATOM 891 CA LYS A 116 10.085 15.922 -7.923 1.00 29.30 C ATOM 892 C LYS A 116 10.744 14.635 -8.382 1.00 30.25 C ATOM 893 O LYS A 116 11.642 14.123 -7.720 1.00 31.40 O ATOM 894 CB LYS A 116 11.071 17.084 -8.061 1.00 31.07 C ATOM 895 CG LYS A 116 11.599 17.313 -9.470 1.00 33.74 C ATOM 896 CD LYS A 116 12.538 18.511 -9.485 1.00 37.78 C ATOM 897 CE LYS A 116 12.949 18.900 -10.898 1.00 40.31 C ATOM 898 NZ LYS A 116 13.651 20.218 -10.906 1.00 41.72 N ATOM 899 N GLY A 117 10.279 14.109 -9.511 1.00 33.03 N ATOM 900 CA GLY A 117 10.849 12.891 -10.058 1.00 34.49 C ATOM 901 C GLY A 117 10.341 11.577 -9.490 1.00 35.66 C ATOM 902 O GLY A 117 10.781 10.510 -9.922 1.00 36.17 O ATOM 903 N THR A 118 9.430 11.635 -8.523 1.00 34.23 N ATOM 904 CA THR A 118 8.888 10.417 -7.931 1.00 32.36 C ATOM 905 C THR A 118 7.511 10.113 -8.511 1.00 31.18 C ATOM 906 O THR A 118 6.993 10.862 -9.342 1.00 31.64 O ATOM 907 CB THR A 118 8.754 10.542 -6.402 1.00 32.64 C ATOM 908 OG1 THR A 118 7.816 11.580 -6.085 1.00 33.19 O ATOM 909 CG2 THR A 118 10.099 10.871 -5.775 1.00 32.06 C ATOM 910 N ASP A 119 6.925 9.001 -8.085 1.00 30.68 N ATOM 911 CA ASP A 119 5.597 8.633 -8.553 1.00 29.54 C ATOM 912 C ASP A 119 4.615 9.366 -7.649 1.00 28.66 C ATOM 913 O ASP A 119 4.173 8.838 -6.627 1.00 25.88 O ATOM 914 CB ASP A 119 5.395 7.117 -8.460 1.00 31.46 C ATOM 915 CG ASP A 119 3.975 6.693 -8.808 1.00 33.21 C ATOM 916 OD1 ASP A 119 3.353 7.333 -9.685 1.00 34.44 O ATOM 917 OD2 ASP A 119 3.488 5.710 -8.212 1.00 33.63 O ATOM 918 N VAL A 120 4.302 10.602 -8.024 1.00 29.15 N ATOM 919 CA VAL A 120 3.393 11.427 -7.243 1.00 27.84 C ATOM 920 C VAL A 120 1.947 10.958 -7.324 1.00 26.66 C ATOM 921 O VAL A 120 1.111 11.394 -6.532 1.00 26.43 O ATOM 922 CB VAL A 120 3.479 12.921 -7.660 1.00 28.21 C ATOM 923 CG1 VAL A 120 4.833 13.497 -7.244 1.00 29.86 C ATOM 924 CG2 VAL A 120 3.274 13.064 -9.161 1.00 29.47 C ATOM 925 N GLN A 121 1.648 10.077 -8.277 1.00 26.15 N ATOM 926 CA GLN A 121 0.296 9.538 -8.410 1.00 25.73 C ATOM 927 C GLN A 121 -0.021 8.753 -7.147 1.00 24.05 C ATOM 928 O GLN A 121 -1.181 8.604 -6.776 1.00 23.02 O ATOM 929 CB GLN A 121 0.188 8.594 -9.616 1.00 28.73 C ATOM 930 CG GLN A 121 0.022 9.270 -10.957 1.00 33.88 C ATOM 931 CD GLN A 121 -1.287 10.016 -11.071 1.00 36.39 C ATOM 932 OE1 GLN A 121 -1.556 10.936 -10.301 1.00 37.90 O ATOM 933 NE2 GLN A 121 -2.115 9.620 -12.033 1.00 36.58 N ATOM 934 N ALA A 122 1.027 8.245 -6.502 1.00 22.80 N ATOM 935 CA ALA A 122 0.880 7.464 -5.280 1.00 21.01 C ATOM 936 C ALA A 122 0.124 8.253 -4.221 1.00 21.28 C ATOM 937 O ALA A 122 -0.590 7.682 -3.393 1.00 20.15 O ATOM 938 CB ALA A 122 2.252 7.068 -4.744 1.00 21.48 C ATOM 939 N TRP A 123 0.274 9.570 -4.250 1.00 20.30 N ATOM 940 CA TRP A 123 -0.388 10.401 -3.260 1.00 21.04 C ATOM 941 C TRP A 123 -1.894 10.512 -3.409 1.00 20.86 C ATOM 942 O TRP A 123 -2.573 10.893 -2.455 1.00 21.78 O ATOM 943 CB TRP A 123 0.255 11.786 -3.224 1.00 21.32 C ATOM 944 CG TRP A 123 1.671 11.694 -2.770 1.00 20.18 C ATOM 945 CD1 TRP A 123 2.785 11.647 -3.558 1.00 20.86 C ATOM 946 CD2 TRP A 123 2.124 11.513 -1.422 1.00 21.05 C ATOM 947 NE1 TRP A 123 3.906 11.441 -2.786 1.00 20.03 N ATOM 948 CE2 TRP A 123 3.529 11.354 -1.470 1.00 20.42 C ATOM 949 CE3 TRP A 123 1.479 11.464 -0.178 1.00 21.76 C ATOM 950 CZ2 TRP A 123 4.301 11.150 -0.320 1.00 21.51 C ATOM 951 CZ3 TRP A 123 2.249 11.259 0.969 1.00 23.62 C ATOM 952 CH2 TRP A 123 3.646 11.105 0.887 1.00 22.09 C ATOM 953 N ILE A 124 -2.426 10.177 -4.583 1.00 19.84 N ATOM 954 CA ILE A 124 -3.872 10.249 -4.780 1.00 22.27 C ATOM 955 C ILE A 124 -4.540 8.886 -4.971 1.00 22.17 C ATOM 956 O ILE A 124 -5.765 8.787 -4.997 1.00 21.30 O ATOM 957 CB ILE A 124 -4.248 11.141 -5.984 1.00 23.85 C ATOM 958 CG1 ILE A 124 -3.642 10.577 -7.267 1.00 25.47 C ATOM 959 CG2 ILE A 124 -3.791 12.570 -5.731 1.00 24.40 C ATOM 960 CD1 ILE A 124 -4.215 11.183 -8.524 1.00 29.65 C ATOM 961 N ARG A 125 -3.747 7.831 -5.110 1.00 23.33 N ATOM 962 CA ARG A 125 -4.334 6.508 -5.281 1.00 24.41 C ATOM 963 C ARG A 125 -5.079 6.097 -4.014 1.00 24.78 C ATOM 964 O ARG A 125 -4.673 6.435 -2.900 1.00 23.42 O ATOM 965 CB ARG A 125 -3.257 5.471 -5.622 1.00 25.64 C ATOM 966 CG ARG A 125 -2.796 5.524 -7.077 1.00 28.53 C ATOM 967 CD ARG A 125 -2.131 4.215 -7.482 1.00 28.10 C ATOM 968 NE ARG A 125 -0.851 4.018 -6.814 1.00 29.29 N ATOM 969 CZ ARG A 125 0.299 4.525 -7.243 1.00 30.62 C ATOM 970 NH1 ARG A 125 0.333 5.261 -8.349 1.00 29.22 N ATOM 971 NH2 ARG A 125 1.414 4.298 -6.565 1.00 29.09 N ATOM 972 N GLY A 126 -6.177 5.372 -4.192 1.00 24.91 N ATOM 973 CA GLY A 126 -6.966 4.942 -3.053 1.00 24.38 C ATOM 974 C GLY A 126 -7.948 6.014 -2.617 1.00 25.91 C ATOM 975 O GLY A 126 -8.745 5.796 -1.705 1.00 25.89 O ATOM 976 N CYS A 127 -7.897 7.172 -3.270 1.00 25.29 N ATOM 977 CA CYS A 127 -8.790 8.279 -2.940 1.00 27.37 C ATOM 978 C CYS A 127 -10.006 8.341 -3.862 1.00 31.24 C ATOM 979 O CYS A 127 -9.941 7.920 -5.015 1.00 30.05 O ATOM 980 CB CYS A 127 -8.051 9.613 -3.046 1.00 26.19 C ATOM 981 SG CYS A 127 -6.664 9.890 -1.896 1.00 22.52 S ATOM 982 N ARG A 128 -11.110 8.874 -3.344 1.00 34.28 N ATOM 983 CA ARG A 128 -12.334 9.036 -4.124 1.00 40.15 C ATOM 984 C ARG A 128 -12.365 10.469 -4.647 1.00 41.25 C ATOM 985 O ARG A 128 -12.842 11.376 -3.966 1.00 42.80 O ATOM 986 CB ARG A 128 -13.572 8.794 -3.255 1.00 42.79 C ATOM 987 CG ARG A 128 -13.862 7.339 -2.939 1.00 48.66 C ATOM 988 CD ARG A 128 -14.108 6.537 -4.208 1.00 53.17 C ATOM 989 NE ARG A 128 -15.141 5.520 -4.017 1.00 57.84 N ATOM 990 CZ ARG A 128 -16.431 5.792 -3.836 1.00 59.36 C ATOM 991 NH1 ARG A 128 -16.852 7.051 -3.821 1.00 61.48 N ATOM 992 NH2 ARG A 128 -17.303 4.805 -3.670 1.00 59.98 N ATOM 993 N LEU A 129 -11.847 10.668 -5.854 1.00 43.48 N ATOM 994 CA LEU A 129 -11.805 11.992 -6.463 1.00 45.23 C ATOM 995 C LEU A 129 -12.732 12.098 -7.669 1.00 47.09 C ATOM 996 O LEU A 129 -13.632 12.964 -7.633 1.00 47.68 O ATOM 997 CB LEU A 129 -10.369 12.327 -6.881 1.00 44.68 C ATOM 998 CG LEU A 129 -9.411 12.869 -5.813 1.00 44.80 C ATOM 999 CD1 LEU A 129 -9.563 12.112 -4.512 1.00 44.43 C ATOM 1000 CD2 LEU A 129 -7.989 12.767 -6.333 1.00 45.35 C ATOM 1001 OXT LEU A 129 -12.545 11.321 -8.631 1.00 49.50 O TER 1002 LEU A 129 HETATM 1003 O HOH A 201 -2.976 11.244 6.165 1.00 27.70 O HETATM 1004 O HOH A 202 9.247 25.345 6.363 1.00 31.76 O HETATM 1005 O HOH A 203 7.289 30.457 0.140 1.00 24.61 O HETATM 1006 O HOH A 204 -6.228 26.162 11.549 1.00 26.05 O HETATM 1007 O HOH A 205 -8.456 11.503 4.085 1.00 24.78 O HETATM 1008 O HOH A 206 -8.607 30.714 3.574 1.00 31.11 O HETATM 1009 O HOH A 207 13.327 18.628 2.026 1.00 43.65 O HETATM 1010 O HOH A 208 -12.076 17.803 1.450 1.00 27.45 O HETATM 1011 O HOH A 209 -8.292 20.824 -9.961 1.00 27.91 O HETATM 1012 O HOH A 210 6.995 15.848 -10.275 1.00 33.34 O HETATM 1013 O HOH A 211 8.832 36.274 10.683 1.00 19.59 O HETATM 1014 O HOH A 212 0.255 27.773 3.476 1.00 16.74 O HETATM 1015 O HOH A 213 6.102 40.119 6.437 1.00 20.94 O HETATM 1016 O HOH A 214 -3.399 35.741 -2.715 1.00 30.48 O HETATM 1017 O HOH A 215 -4.428 34.372 -0.749 1.00 25.67 O HETATM 1018 O HOH A 216 -2.582 26.505 5.942 1.00 16.83 O HETATM 1019 O HOH A 217 -10.786 23.808 2.277 1.00 33.49 O HETATM 1020 O HOH A 218 -5.285 29.011 3.980 1.00 27.01 O HETATM 1021 O HOH A 219 -12.678 19.148 3.709 1.00 39.10 O HETATM 1022 O HOH A 220 2.434 17.121 -13.495 1.00 26.81 O HETATM 1023 O HOH A 221 -1.660 13.389 -9.916 1.00 28.36 O HETATM 1024 O HOH A 222 12.969 34.048 3.008 1.00 24.55 O HETATM 1025 O HOH A 223 7.036 42.339 7.844 1.00 27.82 O HETATM 1026 O HOH A 224 -5.005 26.781 5.275 1.00 32.38 O HETATM 1027 O HOH A 225 -3.824 22.420 13.421 1.00 30.51 O HETATM 1028 O HOH A 226 -11.512 9.177 -0.210 1.00 39.76 O HETATM 1029 O HOH A 227 2.340 7.979 -1.067 1.00 42.45 O HETATM 1030 O HOH A 228 -1.840 42.301 4.159 1.00 37.88 O HETATM 1031 O HOH A 229 6.256 10.672 -3.994 1.00 32.98 O HETATM 1032 O HOH A 230 5.777 7.903 -4.585 1.00 36.09 O HETATM 1033 O HOH A 231 -7.669 18.167 12.729 1.00 33.49 O HETATM 1034 O HOH A 232 -2.794 13.200 8.096 1.00 25.06 O HETATM 1035 O HOH A 233 16.815 21.115 -3.960 1.00 46.53 O HETATM 1036 O HOH A 235 -0.463 10.475 5.038 1.00 36.55 O HETATM 1037 O HOH A 236 0.124 6.728 5.505 1.00 43.24 O HETATM 1038 O HOH A 237 -6.490 24.568 17.450 1.00 46.62 O HETATM 1039 O HOH A 238 2.267 31.597 14.558 1.00 45.87 O HETATM 1040 O HOH A 239 14.749 16.449 3.162 1.00 42.57 O HETATM 1041 O HOH A 241 -7.235 4.709 -6.723 1.00 43.89 O HETATM 1042 O HOH A 243 -0.446 14.045 9.138 1.00 32.89 O HETATM 1043 O HOH A 245 16.527 29.262 7.548 1.00 43.41 O HETATM 1044 O HOH A 247 8.493 6.969 -6.527 1.00 45.49 O HETATM 1045 O HOH A 249 -7.936 8.342 -7.271 1.00 36.57 O HETATM 1046 O HOH A 252 -8.686 28.930 -5.305 1.00 41.80 O HETATM 1047 O HOH A 254 -7.415 13.771 -10.032 1.00 50.37 O HETATM 1048 O HOH A 255 6.531 29.116 -13.251 1.00 39.50 O HETATM 1049 O HOH A 257 -3.388 1.670 -5.354 1.00 54.28 O HETATM 1050 O HOH A 258 -11.643 12.230 -0.569 1.00 39.75 O HETATM 1051 O HOH A 261 9.648 31.855 -2.630 1.00 48.75 O HETATM 1052 O HOH A 265 -4.998 33.119 -7.091 1.00 41.13 O HETATM 1053 O HOH A 266 6.093 39.733 2.560 1.00 31.24 O HETATM 1054 O HOH A 267 -0.316 3.587 4.727 1.00 34.05 O HETATM 1055 O HOH A 268 -7.788 23.464 13.559 1.00 39.42 O HETATM 1056 O HOH A 270 16.941 31.905 5.545 1.00 47.01 O HETATM 1057 O HOH A 272 9.089 28.093 2.234 1.00 49.58 O HETATM 1058 O HOH A 277 -7.882 32.862 5.544 1.00 33.39 O HETATM 1059 O HOH A 278 10.025 25.678 1.189 1.00 41.90 O HETATM 1060 O HOH A 279 8.132 10.827 -2.176 1.00 48.20 O HETATM 1061 O HOH A 280 -7.200 19.344 15.327 1.00 51.33 O HETATM 1062 O HOH A 283 4.908 24.371 -16.925 1.00 41.40 O HETATM 1063 O HOH A 285 10.321 27.663 -16.274 1.00 43.66 O HETATM 1064 O HOH A 286 -4.271 30.061 14.676 1.00 58.94 O HETATM 1065 O HOH A 292 3.864 16.703 12.445 1.00 52.69 O HETATM 1066 O HOH A 294 5.602 9.160 3.310 1.00 53.26 O HETATM 1067 O HOH A 298 -3.865 14.566 18.224 1.00 44.28 O HETATM 1068 O HOH A 309 -5.398 22.749 15.934 1.00 36.63 O HETATM 1069 O HOH A 320 -10.038 28.344 10.686 1.00 44.33 O HETATM 1070 O HOH A 321 16.417 38.944 11.606 1.00 51.81 O HETATM 1071 O HOH A 331 -11.444 22.099 11.734 1.00 45.43 O HETATM 1072 O HOH A 332 11.931 16.073 4.237 1.00 45.44 O HETATM 1073 O HOH A 333 -6.691 2.061 -5.593 1.00 42.24 O HETATM 1074 O HOH A 334 -8.212 9.819 -9.785 1.00 34.69 O HETATM 1075 O HOH A 335 9.216 21.475 -12.754 1.00 42.79 O HETATM 1076 O HOH A 336 -14.861 24.267 -2.017 1.00 46.39 O HETATM 1077 O HOH A 400 -9.371 16.259 9.244 1.00 38.99 O HETATM 1078 O HOH A 401 5.607 19.903 9.620 1.00 40.58 O HETATM 1079 O HOH A 402 14.368 39.261 5.689 1.00 42.80 O HETATM 1080 O HOH A 403 2.572 38.266 13.588 1.00 43.05 O CONECT 48 981 CONECT 238 889 CONECT 513 630 CONECT 601 724 CONECT 630 513 CONECT 724 601 CONECT 889 238 CONECT 981 48 MASTER 254 0 0 9 3 0 0 6 1079 1 8 10 END