HEADER HYDROLASE 05-MAR-98 1LYO TITLE CROSS-LINKED LYSOZYME CRYSTAL IN NEAT WATER COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME; COMPND 3 CHAIN: A; COMPND 4 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 CELL: EGG; SOURCE 6 CELLULAR_LOCATION: CYTOPLASM (WHITE) KEYWDS HYDROLASE (O-GLYCOSYL), HYDROLASE, LYSOZYME, CROSS-LINKED EXPDTA X-RAY DIFFRACTION AUTHOR Q.HUANG,Z.WANG,G.ZHU,M.QIAN,M.SHAO,Y.JIA,Y.TANG REVDAT 2 24-FEB-09 1LYO 1 VERSN REVDAT 1 27-MAY-98 1LYO 0 JRNL AUTH Z.WANG,G.ZHU,Q.HUANG,M.QIAN,M.SHAO,Y.JIA,Y.TANG JRNL TITL X-RAY STUDIES ON CROSS-LINKED LYSOZYME CRYSTALS IN JRNL TITL 2 ACETONITRILE-WATER MIXTURE. JRNL REF BIOCHIM.BIOPHYS.ACTA V.1384 335 1998 JRNL REFN ISSN 0006-3002 JRNL PMID 9659395 JRNL DOI 10.1016/S0167-4838(98)00027-2 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.93 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) : 1.93 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 0.000 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 79.2 REMARK 3 NUMBER OF REFLECTIONS : 7580 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : 0.185 REMARK 3 FREE R VALUE : 0.214 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 14.000 REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1001 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 73 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 32.20 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.011 REMARK 3 BOND ANGLES (DEGREES) : 1.60 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.80 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.43 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) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO REMARK 3 PARAMETER FILE 2 : PARAM19.SOL REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO REMARK 3 TOPOLOGY FILE 2 : TOP19.SOL REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LYO COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : DEC-95 REMARK 200 TEMPERATURE (KELVIN) : 285 REMARK 200 PH : 4.3 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 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : GRAPHITE(002) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU REMARK 200 INTENSITY-INTEGRATION SOFTWARE : R-AXIS REMARK 200 DATA SCALING SOFTWARE : R-AXIS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 7746 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.930 REMARK 200 RESOLUTION RANGE LOW (A) : 80.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 79.4 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : 0.05500 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 11.2000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: DIRECT REFINEMENT REMARK 200 SOFTWARE USED: X-PLOR 3.1 REMARK 200 STARTING MODEL: PDB ENTRY 6LYT REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 41.09 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.09 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PROTEIN WAS CRYSTALLIZED FROM REMARK 280 SODIUM ACETATE BUFFER (PH 4.3) CONTAINING 6.0% (W/V) SODIUM REMARK 280 CHLORIDE 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 18.95500 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.73500 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.73500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 28.43250 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.73500 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.73500 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.47750 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.73500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.73500 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 28.43250 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.73500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.73500 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.47750 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 18.95500 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: 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 14.26 -176.89 REMARK 500 ASN A 77 68.52 39.81 REMARK 500 ILE A 88 0.44 -64.58 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 226 DISTANCE = 6.51 ANGSTROMS REMARK 525 HOH A 239 DISTANCE = 6.15 ANGSTROMS REMARK 525 HOH A 267 DISTANCE = 5.20 ANGSTROMS DBREF 1LYO 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 *73(H2 O) HELIX 1 1 ARG A 5 ARG A 14 1 10 HELIX 2 2 TYR A 20 GLY A 22 5 3 HELIX 3 3 LEU A 25 SER A 36 1 12 SHEET 1 A 3 THR A 43 ARG A 45 0 SHEET 2 A 3 THR A 51 TYR A 53 -1 N ASP A 52 O ASN A 44 SHEET 3 A 3 ILE A 58 ASN A 59 -1 O ILE A 58 N TYR A 53 SSBOND 1 CYS A 6 CYS A 127 1555 1555 2.02 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.02 SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.03 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.01 CRYST1 79.470 79.470 37.910 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 0.012583 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012583 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026378 0.00000 ATOM 1 N LYS A 1 3.159 10.107 10.479 1.00 32.60 N ATOM 2 CA LYS A 1 2.454 10.473 9.220 1.00 34.77 C ATOM 3 C LYS A 1 2.446 11.979 9.021 1.00 35.24 C ATOM 4 O LYS A 1 2.346 12.742 9.989 1.00 30.13 O ATOM 5 CB LYS A 1 1.016 9.993 9.258 1.00 36.45 C ATOM 6 CG LYS A 1 0.177 10.531 8.151 1.00 39.04 C ATOM 7 CD LYS A 1 -1.242 10.149 8.439 1.00 47.62 C ATOM 8 CE LYS A 1 -2.202 10.608 7.357 1.00 50.75 C ATOM 9 NZ LYS A 1 -3.588 10.263 7.805 1.00 56.78 N ATOM 10 N VAL A 2 2.594 12.384 7.763 1.00 35.97 N ATOM 11 CA VAL A 2 2.598 13.786 7.350 1.00 37.50 C ATOM 12 C VAL A 2 1.178 14.067 6.838 1.00 36.92 C ATOM 13 O VAL A 2 0.715 13.427 5.892 1.00 40.34 O ATOM 14 CB VAL A 2 3.631 14.047 6.214 1.00 35.38 C ATOM 15 CG1 VAL A 2 3.618 15.504 5.822 1.00 37.59 C ATOM 16 CG2 VAL A 2 5.033 13.684 6.671 1.00 37.80 C ATOM 17 N PHE A 3 0.471 14.965 7.519 1.00 32.89 N ATOM 18 CA PHE A 3 -0.892 15.322 7.168 1.00 29.94 C ATOM 19 C PHE A 3 -1.051 16.363 6.084 1.00 30.86 C ATOM 20 O PHE A 3 -0.136 17.114 5.752 1.00 34.24 O ATOM 21 CB PHE A 3 -1.610 15.863 8.385 1.00 26.40 C ATOM 22 CG PHE A 3 -2.253 14.826 9.206 1.00 27.12 C ATOM 23 CD1 PHE A 3 -1.547 14.205 10.227 1.00 23.91 C ATOM 24 CD2 PHE A 3 -3.597 14.496 8.992 1.00 26.24 C ATOM 25 CE1 PHE A 3 -2.169 13.266 11.036 1.00 27.91 C ATOM 26 CE2 PHE A 3 -4.245 13.558 9.791 1.00 27.02 C ATOM 27 CZ PHE A 3 -3.533 12.935 10.823 1.00 30.16 C ATOM 28 N GLY A 4 -2.255 16.405 5.546 1.00 33.01 N ATOM 29 CA GLY A 4 -2.580 17.403 4.564 1.00 27.08 C ATOM 30 C GLY A 4 -3.360 18.396 5.400 1.00 27.42 C ATOM 31 O GLY A 4 -3.939 18.020 6.400 1.00 27.87 O ATOM 32 N ARG A 5 -3.398 19.647 4.987 1.00 29.56 N ATOM 33 CA ARG A 5 -4.118 20.673 5.712 1.00 29.79 C ATOM 34 C ARG A 5 -5.574 20.326 6.073 1.00 29.64 C ATOM 35 O ARG A 5 -5.968 20.392 7.243 1.00 29.96 O ATOM 36 CB ARG A 5 -4.053 21.957 4.902 1.00 30.27 C ATOM 37 CG ARG A 5 -4.689 23.129 5.560 1.00 32.38 C ATOM 38 CD ARG A 5 -4.518 24.332 4.670 1.00 38.06 C ATOM 39 NE ARG A 5 -5.043 24.122 3.317 1.00 40.45 N ATOM 40 CZ ARG A 5 -6.267 24.473 2.915 1.00 42.10 C ATOM 41 NH1 ARG A 5 -7.114 25.057 3.761 1.00 38.52 N ATOM 42 NH2 ARG A 5 -6.641 24.244 1.656 1.00 40.62 N ATOM 43 N CYS A 6 -6.357 19.939 5.073 1.00 32.71 N ATOM 44 CA CYS A 6 -7.778 19.588 5.244 1.00 31.14 C ATOM 45 C CYS A 6 -7.949 18.237 5.919 1.00 26.39 C ATOM 46 O CYS A 6 -8.939 17.983 6.594 1.00 28.00 O ATOM 47 CB CYS A 6 -8.477 19.537 3.883 1.00 34.22 C ATOM 48 SG CYS A 6 -8.442 21.082 2.937 1.00 36.88 S ATOM 49 N GLU A 7 -7.007 17.344 5.665 1.00 26.49 N ATOM 50 CA GLU A 7 -7.026 16.023 6.267 1.00 28.82 C ATOM 51 C GLU A 7 -6.826 16.191 7.767 1.00 27.87 C ATOM 52 O GLU A 7 -7.465 15.513 8.562 1.00 30.78 O ATOM 53 CB GLU A 7 -5.929 15.159 5.662 1.00 29.83 C ATOM 54 CG GLU A 7 -5.809 13.837 6.314 1.00 36.31 C ATOM 55 CD GLU A 7 -4.669 13.021 5.758 1.00 40.97 C ATOM 56 OE1 GLU A 7 -3.545 13.561 5.598 1.00 40.65 O ATOM 57 OE2 GLU A 7 -4.906 11.821 5.496 1.00 44.69 O ATOM 58 N LEU A 8 -5.938 17.104 8.153 1.00 30.27 N ATOM 59 CA LEU A 8 -5.698 17.403 9.560 1.00 29.05 C ATOM 60 C LEU A 8 -6.904 18.167 10.148 1.00 26.33 C ATOM 61 O LEU A 8 -7.351 17.871 11.253 1.00 28.69 O ATOM 62 CB LEU A 8 -4.427 18.238 9.717 1.00 30.81 C ATOM 63 CG LEU A 8 -4.064 18.572 11.162 1.00 32.28 C ATOM 64 CD1 LEU A 8 -3.744 17.300 11.935 1.00 30.57 C ATOM 65 CD2 LEU A 8 -2.875 19.519 11.177 1.00 36.81 C ATOM 66 N ALA A 9 -7.413 19.162 9.426 1.00 23.86 N ATOM 67 CA ALA A 9 -8.580 19.928 9.881 1.00 22.03 C ATOM 68 C ALA A 9 -9.769 19.013 10.244 1.00 23.98 C ATOM 69 O ALA A 9 -10.396 19.158 11.305 1.00 25.79 O ATOM 70 CB ALA A 9 -8.991 20.941 8.814 1.00 19.70 C ATOM 71 N ALA A 10 -10.035 18.021 9.407 1.00 24.67 N ATOM 72 CA ALA A 10 -11.138 17.094 9.667 1.00 28.82 C ATOM 73 C ALA A 10 -10.889 16.249 10.909 1.00 29.84 C ATOM 74 O ALA A 10 -11.772 16.060 11.754 1.00 33.21 O ATOM 75 CB ALA A 10 -11.360 16.188 8.456 1.00 27.07 C ATOM 76 N ALA A 11 -9.673 15.733 11.024 1.00 32.41 N ATOM 77 CA ALA A 11 -9.325 14.898 12.168 1.00 28.49 C ATOM 78 C ALA A 11 -9.425 15.687 13.458 1.00 28.57 C ATOM 79 O ALA A 11 -9.838 15.142 14.475 1.00 29.59 O ATOM 80 CB ALA A 11 -7.919 14.298 12.002 1.00 29.58 C ATOM 81 N MET A 12 -9.082 16.973 13.427 1.00 28.06 N ATOM 82 CA MET A 12 -9.146 17.787 14.643 1.00 28.91 C ATOM 83 C MET A 12 -10.584 18.120 14.989 1.00 30.35 C ATOM 84 O MET A 12 -10.955 18.174 16.161 1.00 32.45 O ATOM 85 CB MET A 12 -8.313 19.062 14.493 1.00 26.83 C ATOM 86 CG MET A 12 -6.809 18.801 14.487 1.00 29.04 C ATOM 87 SD MET A 12 -5.786 20.257 14.125 1.00 32.80 S ATOM 88 CE MET A 12 -4.334 20.002 15.153 1.00 21.87 C ATOM 89 N LYS A 13 -11.402 18.324 13.965 1.00 32.17 N ATOM 90 CA LYS A 13 -12.807 18.637 14.193 1.00 36.85 C ATOM 91 C LYS A 13 -13.488 17.454 14.840 1.00 37.32 C ATOM 92 O LYS A 13 -14.163 17.613 15.853 1.00 37.24 O ATOM 93 CB LYS A 13 -13.515 18.996 12.879 1.00 38.69 C ATOM 94 CG LYS A 13 -14.957 19.526 13.056 1.00 42.71 C ATOM 95 CD LYS A 13 -15.638 19.849 11.715 1.00 43.04 C ATOM 96 CE LYS A 13 -17.006 20.493 11.919 1.00 44.17 C ATOM 97 NZ LYS A 13 -17.613 20.908 10.616 1.00 44.10 N ATOM 98 N ARG A 14 -13.269 16.265 14.266 1.00 39.21 N ATOM 99 CA ARG A 14 -13.856 15.018 14.764 1.00 39.05 C ATOM 100 C ARG A 14 -13.384 14.660 16.168 1.00 39.05 C ATOM 101 O ARG A 14 -14.058 13.935 16.913 1.00 32.19 O ATOM 102 CB ARG A 14 -13.537 13.866 13.820 1.00 40.74 C ATOM 103 CG ARG A 14 -14.161 12.568 14.264 1.00 47.58 C ATOM 104 CD ARG A 14 -13.887 11.446 13.299 1.00 54.48 C ATOM 105 NE ARG A 14 -12.453 11.239 13.097 1.00 60.16 N ATOM 106 CZ ARG A 14 -11.706 10.371 13.781 1.00 63.18 C ATOM 107 NH1 ARG A 14 -12.248 9.608 14.731 1.00 63.54 N ATOM 108 NH2 ARG A 14 -10.407 10.266 13.506 1.00 65.10 N ATOM 109 N HIS A 15 -12.210 15.170 16.521 1.00 36.66 N ATOM 110 CA HIS A 15 -11.643 14.913 17.826 1.00 32.57 C ATOM 111 C HIS A 15 -12.053 15.996 18.781 1.00 32.30 C ATOM 112 O HIS A 15 -11.602 16.038 19.920 1.00 30.01 O ATOM 113 CB HIS A 15 -10.126 14.763 17.749 1.00 32.19 C ATOM 114 CG HIS A 15 -9.682 13.396 17.324 1.00 32.48 C ATOM 115 ND1 HIS A 15 -9.413 13.070 16.016 1.00 34.84 N ATOM 116 CD2 HIS A 15 -9.487 12.262 18.041 1.00 34.80 C ATOM 117 CE1 HIS A 15 -9.069 11.795 15.933 1.00 35.49 C ATOM 118 NE2 HIS A 15 -9.107 11.284 17.149 1.00 38.88 N ATOM 119 N GLY A 16 -12.970 16.837 18.319 1.00 36.00 N ATOM 120 CA GLY A 16 -13.486 17.908 19.145 1.00 39.82 C ATOM 121 C GLY A 16 -12.545 19.057 19.407 1.00 40.56 C ATOM 122 O GLY A 16 -12.309 19.407 20.559 1.00 44.97 O ATOM 123 N LEU A 17 -11.967 19.627 18.356 1.00 38.48 N ATOM 124 CA LEU A 17 -11.089 20.765 18.562 1.00 37.07 C ATOM 125 C LEU A 17 -11.703 22.075 18.106 1.00 38.55 C ATOM 126 O LEU A 17 -11.420 23.111 18.697 1.00 42.55 O ATOM 127 CB LEU A 17 -9.703 20.550 17.950 1.00 30.49 C ATOM 128 CG LEU A 17 -8.771 19.749 18.867 1.00 29.90 C ATOM 129 CD1 LEU A 17 -7.372 19.757 18.282 1.00 29.91 C ATOM 130 CD2 LEU A 17 -8.774 20.315 20.289 1.00 25.07 C ATOM 131 N ASP A 18 -12.599 22.016 17.119 1.00 39.03 N ATOM 132 CA ASP A 18 -13.277 23.201 16.599 1.00 38.88 C ATOM 133 C ASP A 18 -13.892 24.012 17.734 1.00 39.54 C ATOM 134 O ASP A 18 -14.698 23.507 18.508 1.00 38.04 O ATOM 135 CB ASP A 18 -14.390 22.810 15.628 1.00 45.64 C ATOM 136 CG ASP A 18 -14.758 23.948 14.652 1.00 51.29 C ATOM 137 OD1 ASP A 18 -14.465 25.145 14.920 1.00 52.42 O ATOM 138 OD2 ASP A 18 -15.333 23.629 13.583 1.00 55.35 O ATOM 139 N ASN A 19 -13.459 25.261 17.843 1.00 40.62 N ATOM 140 CA ASN A 19 -13.925 26.191 18.860 1.00 37.76 C ATOM 141 C ASN A 19 -13.740 25.706 20.285 1.00 36.45 C ATOM 142 O ASN A 19 -14.354 26.231 21.216 1.00 32.13 O ATOM 143 CB ASN A 19 -15.363 26.626 18.583 1.00 43.22 C ATOM 144 CG ASN A 19 -15.440 27.743 17.552 1.00 48.80 C ATOM 145 OD1 ASN A 19 -15.297 28.916 17.906 1.00 53.89 O ATOM 146 ND2 ASN A 19 -15.641 27.390 16.272 1.00 44.85 N ATOM 147 N TYR A 20 -12.836 24.752 20.471 1.00 33.39 N ATOM 148 CA TYR A 20 -12.570 24.244 21.805 1.00 29.99 C ATOM 149 C TYR A 20 -11.957 25.383 22.607 1.00 32.98 C ATOM 150 O TYR A 20 -10.982 26.020 22.166 1.00 33.02 O ATOM 151 CB TYR A 20 -11.612 23.067 21.770 1.00 26.87 C ATOM 152 CG TYR A 20 -11.388 22.510 23.144 1.00 26.23 C ATOM 153 CD1 TYR A 20 -12.340 21.704 23.744 1.00 23.14 C ATOM 154 CD2 TYR A 20 -10.254 22.841 23.877 1.00 24.63 C ATOM 155 CE1 TYR A 20 -12.178 21.252 25.043 1.00 24.69 C ATOM 156 CE2 TYR A 20 -10.080 22.389 25.175 1.00 24.28 C ATOM 157 CZ TYR A 20 -11.045 21.603 25.751 1.00 26.96 C ATOM 158 OH TYR A 20 -10.892 21.176 27.047 1.00 32.14 O ATOM 159 N ARG A 21 -12.582 25.679 23.746 1.00 31.33 N ATOM 160 CA ARG A 21 -12.150 26.752 24.639 1.00 30.07 C ATOM 161 C ARG A 21 -12.119 28.114 23.972 1.00 28.42 C ATOM 162 O ARG A 21 -11.477 29.043 24.471 1.00 31.77 O ATOM 163 CB ARG A 21 -10.783 26.436 25.230 1.00 35.52 C ATOM 164 CG ARG A 21 -10.813 25.557 26.453 1.00 37.17 C ATOM 165 CD ARG A 21 -11.252 26.356 27.631 1.00 43.53 C ATOM 166 NE ARG A 21 -11.091 25.640 28.890 1.00 50.29 N ATOM 167 CZ ARG A 21 -11.755 24.536 29.229 1.00 53.29 C ATOM 168 NH1 ARG A 21 -12.633 23.986 28.392 1.00 55.06 N ATOM 169 NH2 ARG A 21 -11.591 24.024 30.444 1.00 53.52 N ATOM 170 N GLY A 22 -12.859 28.256 22.878 1.00 25.65 N ATOM 171 CA GLY A 22 -12.896 29.522 22.154 1.00 26.48 C ATOM 172 C GLY A 22 -12.028 29.578 20.902 1.00 24.05 C ATOM 173 O GLY A 22 -12.206 30.446 20.034 1.00 21.85 O ATOM 174 N TYR A 23 -11.129 28.604 20.768 1.00 22.51 N ATOM 175 CA TYR A 23 -10.230 28.555 19.635 1.00 19.26 C ATOM 176 C TYR A 23 -10.788 27.788 18.478 1.00 23.04 C ATOM 177 O TYR A 23 -10.889 26.568 18.517 1.00 20.30 O ATOM 178 CB TYR A 23 -8.896 27.967 20.066 1.00 19.94 C ATOM 179 CG TYR A 23 -8.201 28.861 21.067 1.00 12.60 C ATOM 180 CD1 TYR A 23 -7.466 29.968 20.644 1.00 18.30 C ATOM 181 CD2 TYR A 23 -8.289 28.620 22.417 1.00 8.83 C ATOM 182 CE1 TYR A 23 -6.842 30.808 21.548 1.00 10.77 C ATOM 183 CE2 TYR A 23 -7.668 29.447 23.326 1.00 12.76 C ATOM 184 CZ TYR A 23 -6.948 30.545 22.881 1.00 14.50 C ATOM 185 OH TYR A 23 -6.350 31.388 23.800 1.00 21.74 O ATOM 186 N SER A 24 -11.128 28.527 17.430 1.00 25.93 N ATOM 187 CA SER A 24 -11.672 27.934 16.223 1.00 26.31 C ATOM 188 C SER A 24 -10.649 27.016 15.586 1.00 28.49 C ATOM 189 O SER A 24 -9.462 27.044 15.924 1.00 32.40 O ATOM 190 CB SER A 24 -12.121 29.018 15.227 1.00 27.77 C ATOM 191 OG SER A 24 -11.048 29.838 14.797 1.00 31.48 O ATOM 192 N LEU A 25 -11.123 26.247 14.617 1.00 28.04 N ATOM 193 CA LEU A 25 -10.332 25.251 13.904 1.00 23.92 C ATOM 194 C LEU A 25 -9.075 25.816 13.255 1.00 20.26 C ATOM 195 O LEU A 25 -7.983 25.255 13.405 1.00 19.07 O ATOM 196 CB LEU A 25 -11.223 24.570 12.851 1.00 22.90 C ATOM 197 CG LEU A 25 -10.870 23.148 12.443 1.00 17.51 C ATOM 198 CD1 LEU A 25 -10.602 22.314 13.688 1.00 20.92 C ATOM 199 CD2 LEU A 25 -12.022 22.592 11.673 1.00 20.78 C ATOM 200 N GLY A 26 -9.215 26.964 12.606 1.00 20.24 N ATOM 201 CA GLY A 26 -8.095 27.575 11.924 1.00 17.92 C ATOM 202 C GLY A 26 -6.918 27.792 12.838 1.00 22.48 C ATOM 203 O GLY A 26 -5.784 27.748 12.370 1.00 30.26 O ATOM 204 N ASN A 27 -7.165 27.999 14.130 1.00 22.03 N ATOM 205 CA ASN A 27 -6.075 28.228 15.084 1.00 23.32 C ATOM 206 C ASN A 27 -5.228 26.999 15.287 1.00 25.71 C ATOM 207 O ASN A 27 -3.989 27.081 15.332 1.00 21.76 O ATOM 208 CB ASN A 27 -6.606 28.678 16.436 1.00 23.41 C ATOM 209 CG ASN A 27 -7.089 30.086 16.400 1.00 27.12 C ATOM 210 OD1 ASN A 27 -6.299 31.026 16.300 1.00 25.45 O ATOM 211 ND2 ASN A 27 -8.407 30.259 16.380 1.00 28.30 N ATOM 212 N TRP A 28 -5.901 25.852 15.390 1.00 24.20 N ATOM 213 CA TRP A 28 -5.228 24.582 15.608 1.00 19.18 C ATOM 214 C TRP A 28 -4.451 24.121 14.398 1.00 15.89 C ATOM 215 O TRP A 28 -3.361 23.606 14.540 1.00 19.10 O ATOM 216 CB TRP A 28 -6.249 23.550 16.066 1.00 18.55 C ATOM 217 CG TRP A 28 -6.980 23.965 17.339 1.00 16.04 C ATOM 218 CD1 TRP A 28 -8.211 24.539 17.428 1.00 18.29 C ATOM 219 CD2 TRP A 28 -6.516 23.805 18.689 1.00 17.41 C ATOM 220 NE1 TRP A 28 -8.555 24.743 18.752 1.00 16.56 N ATOM 221 CE2 TRP A 28 -7.528 24.308 19.546 1.00 12.65 C ATOM 222 CE3 TRP A 28 -5.333 23.287 19.256 1.00 16.74 C ATOM 223 CZ2 TRP A 28 -7.397 24.316 20.928 1.00 18.06 C ATOM 224 CZ3 TRP A 28 -5.203 23.297 20.636 1.00 16.26 C ATOM 225 CH2 TRP A 28 -6.233 23.812 21.460 1.00 18.22 C ATOM 226 N VAL A 29 -4.996 24.342 13.208 1.00 16.14 N ATOM 227 CA VAL A 29 -4.326 23.956 11.958 1.00 17.63 C ATOM 228 C VAL A 29 -3.106 24.863 11.774 1.00 21.48 C ATOM 229 O VAL A 29 -2.015 24.410 11.435 1.00 26.27 O ATOM 230 CB VAL A 29 -5.286 24.098 10.731 1.00 18.76 C ATOM 231 CG1 VAL A 29 -4.553 23.847 9.381 1.00 19.71 C ATOM 232 CG2 VAL A 29 -6.462 23.144 10.881 1.00 15.40 C ATOM 233 N CYS A 30 -3.296 26.156 11.960 1.00 19.75 N ATOM 234 CA CYS A 30 -2.200 27.088 11.847 1.00 19.66 C ATOM 235 C CYS A 30 -1.026 26.698 12.763 1.00 17.98 C ATOM 236 O CYS A 30 0.127 26.659 12.341 1.00 24.04 O ATOM 237 CB CYS A 30 -2.688 28.468 12.236 1.00 17.90 C ATOM 238 SG CYS A 30 -1.415 29.722 11.980 1.00 22.15 S ATOM 239 N ALA A 31 -1.328 26.404 14.022 1.00 21.63 N ATOM 240 CA ALA A 31 -0.332 26.029 15.021 1.00 18.94 C ATOM 241 C ALA A 31 0.437 24.763 14.693 1.00 20.36 C ATOM 242 O ALA A 31 1.637 24.703 14.947 1.00 23.85 O ATOM 243 CB ALA A 31 -1.006 25.890 16.382 1.00 20.06 C ATOM 244 N ALA A 32 -0.276 23.723 14.237 1.00 18.98 N ATOM 245 CA ALA A 32 0.318 22.435 13.844 1.00 15.03 C ATOM 246 C ALA A 32 1.290 22.681 12.689 1.00 15.50 C ATOM 247 O ALA A 32 2.388 22.156 12.681 1.00 16.20 O ATOM 248 CB ALA A 32 -0.763 21.463 13.416 1.00 15.55 C ATOM 249 N LYS A 33 0.862 23.472 11.711 1.00 16.09 N ATOM 250 CA LYS A 33 1.683 23.844 10.571 1.00 14.55 C ATOM 251 C LYS A 33 3.046 24.396 11.009 1.00 16.60 C ATOM 252 O LYS A 33 4.066 23.858 10.640 1.00 23.16 O ATOM 253 CB LYS A 33 0.969 24.919 9.744 1.00 19.05 C ATOM 254 CG LYS A 33 1.791 25.462 8.581 1.00 16.80 C ATOM 255 CD LYS A 33 2.184 24.349 7.629 1.00 25.49 C ATOM 256 CE LYS A 33 3.022 24.870 6.473 1.00 30.49 C ATOM 257 NZ LYS A 33 3.158 23.803 5.416 1.00 36.51 N ATOM 258 N PHE A 34 3.057 25.419 11.851 1.00 19.50 N ATOM 259 CA PHE A 34 4.304 26.038 12.287 1.00 19.61 C ATOM 260 C PHE A 34 5.035 25.313 13.383 1.00 19.94 C ATOM 261 O PHE A 34 6.222 25.555 13.598 1.00 26.36 O ATOM 262 CB PHE A 34 4.069 27.509 12.651 1.00 15.53 C ATOM 263 CG PHE A 34 3.612 28.309 11.486 1.00 16.82 C ATOM 264 CD1 PHE A 34 4.282 28.224 10.289 1.00 18.82 C ATOM 265 CD2 PHE A 34 2.478 29.073 11.547 1.00 18.13 C ATOM 266 CE1 PHE A 34 3.811 28.895 9.160 1.00 20.66 C ATOM 267 CE2 PHE A 34 2.011 29.737 10.430 1.00 21.56 C ATOM 268 CZ PHE A 34 2.671 29.650 9.238 1.00 18.99 C ATOM 269 N GLU A 35 4.346 24.413 14.072 1.00 21.84 N ATOM 270 CA GLU A 35 4.978 23.685 15.150 1.00 16.84 C ATOM 271 C GLU A 35 5.647 22.440 14.654 1.00 17.62 C ATOM 272 O GLU A 35 6.754 22.144 15.055 1.00 14.44 O ATOM 273 CB GLU A 35 3.966 23.328 16.232 1.00 18.20 C ATOM 274 CG GLU A 35 3.519 24.508 17.096 1.00 21.02 C ATOM 275 CD GLU A 35 4.551 24.961 18.116 1.00 22.09 C ATOM 276 OE1 GLU A 35 5.543 24.251 18.315 1.00 25.78 O ATOM 277 OE2 GLU A 35 4.367 26.013 18.761 1.00 23.01 O ATOM 278 N SER A 36 5.008 21.730 13.741 1.00 16.60 N ATOM 279 CA SER A 36 5.589 20.485 13.273 1.00 18.85 C ATOM 280 C SER A 36 5.541 20.226 11.781 1.00 22.81 C ATOM 281 O SER A 36 5.979 19.176 11.323 1.00 25.53 O ATOM 282 CB SER A 36 4.850 19.346 13.931 1.00 18.63 C ATOM 283 OG SER A 36 3.514 19.371 13.478 1.00 12.90 O ATOM 284 N ASN A 37 4.981 21.151 11.019 1.00 24.10 N ATOM 285 CA ASN A 37 4.836 20.969 9.585 1.00 26.52 C ATOM 286 C ASN A 37 3.925 19.814 9.212 1.00 25.91 C ATOM 287 O ASN A 37 4.111 19.151 8.186 1.00 27.32 O ATOM 288 CB ASN A 37 6.172 20.827 8.904 1.00 27.76 C ATOM 289 CG ASN A 37 6.357 21.875 7.867 1.00 34.25 C ATOM 290 OD1 ASN A 37 7.271 22.686 7.951 1.00 41.82 O ATOM 291 ND2 ASN A 37 5.418 21.945 6.929 1.00 37.49 N ATOM 292 N PHE A 38 2.907 19.626 10.040 1.00 23.66 N ATOM 293 CA PHE A 38 1.910 18.582 9.860 1.00 28.72 C ATOM 294 C PHE A 38 2.521 17.194 9.982 1.00 27.81 C ATOM 295 O PHE A 38 1.927 16.220 9.541 1.00 29.44 O ATOM 296 CB PHE A 38 1.226 18.715 8.492 1.00 24.58 C ATOM 297 CG PHE A 38 0.458 19.979 8.324 1.00 18.70 C ATOM 298 CD1 PHE A 38 -0.137 20.587 9.404 1.00 17.19 C ATOM 299 CD2 PHE A 38 0.275 20.520 7.066 1.00 17.14 C ATOM 300 CE1 PHE A 38 -0.912 21.703 9.238 1.00 21.02 C ATOM 301 CE2 PHE A 38 -0.506 21.646 6.890 1.00 17.72 C ATOM 302 CZ PHE A 38 -1.100 22.236 7.978 1.00 17.67 C ATOM 303 N ASN A 39 3.649 17.104 10.675 1.00 26.70 N ATOM 304 CA ASN A 39 4.351 15.842 10.821 1.00 20.86 C ATOM 305 C ASN A 39 4.208 15.293 12.214 1.00 18.47 C ATOM 306 O ASN A 39 4.743 15.850 13.183 1.00 20.38 O ATOM 307 CB ASN A 39 5.811 16.057 10.471 1.00 20.38 C ATOM 308 CG ASN A 39 6.603 14.785 10.477 1.00 24.92 C ATOM 309 OD1 ASN A 39 6.064 13.690 10.666 1.00 26.63 O ATOM 310 ND2 ASN A 39 7.897 14.912 10.273 1.00 27.19 N ATOM 311 N THR A 40 3.544 14.144 12.314 1.00 21.34 N ATOM 312 CA THR A 40 3.317 13.541 13.612 1.00 21.13 C ATOM 313 C THR A 40 4.591 13.077 14.286 1.00 22.54 C ATOM 314 O THR A 40 4.628 12.997 15.507 1.00 26.77 O ATOM 315 CB THR A 40 2.299 12.342 13.563 1.00 18.00 C ATOM 316 OG1 THR A 40 2.867 11.252 12.826 1.00 20.86 O ATOM 317 CG2 THR A 40 0.974 12.758 12.917 1.00 15.15 C ATOM 318 N GLN A 41 5.640 12.789 13.509 1.00 22.83 N ATOM 319 CA GLN A 41 6.906 12.303 14.070 1.00 21.05 C ATOM 320 C GLN A 41 7.941 13.328 14.492 1.00 22.27 C ATOM 321 O GLN A 41 9.041 12.954 14.903 1.00 26.67 O ATOM 322 CB GLN A 41 7.569 11.356 13.091 1.00 20.75 C ATOM 323 CG GLN A 41 6.891 10.021 13.013 1.00 21.34 C ATOM 324 CD GLN A 41 7.687 9.048 12.163 1.00 25.46 C ATOM 325 OE1 GLN A 41 7.416 8.887 10.973 1.00 23.15 O ATOM 326 NE2 GLN A 41 8.710 8.443 12.753 1.00 19.43 N ATOM 327 N ALA A 42 7.624 14.609 14.357 1.00 24.17 N ATOM 328 CA ALA A 42 8.559 15.677 14.714 1.00 23.27 C ATOM 329 C ALA A 42 8.944 15.758 16.196 1.00 21.53 C ATOM 330 O ALA A 42 8.103 15.648 17.095 1.00 18.74 O ATOM 331 CB ALA A 42 8.024 17.049 14.241 1.00 19.02 C ATOM 332 N THR A 43 10.234 15.983 16.433 1.00 18.84 N ATOM 333 CA THR A 43 10.752 16.144 17.768 1.00 18.54 C ATOM 334 C THR A 43 11.726 17.301 17.729 1.00 19.26 C ATOM 335 O THR A 43 12.360 17.565 16.696 1.00 19.88 O ATOM 336 CB THR A 43 11.533 14.922 18.254 1.00 21.69 C ATOM 337 OG1 THR A 43 12.499 14.526 17.265 1.00 19.81 O ATOM 338 CG2 THR A 43 10.602 13.795 18.585 1.00 21.90 C ATOM 339 N ASN A 44 11.808 18.013 18.845 1.00 23.22 N ATOM 340 CA ASN A 44 12.737 19.118 18.986 1.00 25.78 C ATOM 341 C ASN A 44 13.255 19.228 20.394 1.00 25.48 C ATOM 342 O ASN A 44 12.494 19.274 21.362 1.00 26.32 O ATOM 343 CB ASN A 44 12.145 20.428 18.496 1.00 31.09 C ATOM 344 CG ASN A 44 12.098 20.485 17.005 1.00 34.83 C ATOM 345 OD1 ASN A 44 13.118 20.704 16.354 1.00 40.45 O ATOM 346 ND2 ASN A 44 10.935 20.210 16.439 1.00 38.12 N ATOM 347 N ARG A 45 14.576 19.211 20.491 1.00 27.71 N ATOM 348 CA ARG A 45 15.278 19.281 21.757 1.00 32.01 C ATOM 349 C ARG A 45 15.432 20.716 22.197 1.00 32.62 C ATOM 350 O ARG A 45 15.816 21.571 21.403 1.00 33.75 O ATOM 351 CB ARG A 45 16.662 18.639 21.605 1.00 35.04 C ATOM 352 CG ARG A 45 17.435 18.437 22.909 1.00 38.67 C ATOM 353 CD ARG A 45 16.612 17.667 23.922 1.00 42.02 C ATOM 354 NE ARG A 45 17.388 17.100 25.023 1.00 45.03 N ATOM 355 CZ ARG A 45 18.137 16.003 24.926 1.00 47.28 C ATOM 356 NH1 ARG A 45 18.297 15.398 23.751 1.00 47.52 N ATOM 357 NH2 ARG A 45 18.781 15.546 25.992 1.00 46.04 N ATOM 358 N ASN A 46 15.151 20.975 23.463 1.00 31.58 N ATOM 359 CA ASN A 46 15.273 22.314 23.993 1.00 32.49 C ATOM 360 C ASN A 46 16.520 22.423 24.864 1.00 33.85 C ATOM 361 O ASN A 46 17.097 21.415 25.276 1.00 35.22 O ATOM 362 CB ASN A 46 14.009 22.680 24.771 1.00 33.19 C ATOM 363 CG ASN A 46 12.743 22.590 23.912 1.00 32.10 C ATOM 364 OD1 ASN A 46 11.768 21.951 24.295 1.00 29.10 O ATOM 365 ND2 ASN A 46 12.756 23.245 22.753 1.00 37.89 N ATOM 366 N THR A 47 16.918 23.655 25.160 1.00 38.93 N ATOM 367 CA THR A 47 18.109 23.945 25.968 1.00 40.81 C ATOM 368 C THR A 47 18.039 23.425 27.386 1.00 38.31 C ATOM 369 O THR A 47 19.044 23.016 27.963 1.00 41.41 O ATOM 370 CB THR A 47 18.399 25.467 26.014 1.00 47.24 C ATOM 371 OG1 THR A 47 17.251 26.173 26.512 1.00 51.04 O ATOM 372 CG2 THR A 47 18.736 25.981 24.607 1.00 50.46 C ATOM 373 N ASP A 48 16.861 23.508 27.982 1.00 37.09 N ATOM 374 CA ASP A 48 16.699 23.006 29.320 1.00 33.78 C ATOM 375 C ASP A 48 16.721 21.480 29.335 1.00 35.74 C ATOM 376 O ASP A 48 16.531 20.871 30.384 1.00 43.66 O ATOM 377 CB ASP A 48 15.420 23.556 29.951 1.00 34.93 C ATOM 378 CG ASP A 48 14.152 23.140 29.231 1.00 33.92 C ATOM 379 OD1 ASP A 48 14.137 22.171 28.462 1.00 36.53 O ATOM 380 OD2 ASP A 48 13.128 23.788 29.465 1.00 37.99 O ATOM 381 N GLY A 49 16.909 20.858 28.170 1.00 34.46 N ATOM 382 CA GLY A 49 16.969 19.404 28.105 1.00 30.97 C ATOM 383 C GLY A 49 15.680 18.646 27.839 1.00 30.54 C ATOM 384 O GLY A 49 15.686 17.419 27.699 1.00 26.26 O ATOM 385 N SER A 50 14.557 19.341 27.847 1.00 25.26 N ATOM 386 CA SER A 50 13.318 18.674 27.552 1.00 22.07 C ATOM 387 C SER A 50 13.256 18.590 26.027 1.00 21.23 C ATOM 388 O SER A 50 14.094 19.171 25.328 1.00 21.77 O ATOM 389 CB SER A 50 12.156 19.483 28.072 1.00 25.26 C ATOM 390 OG SER A 50 12.137 20.730 27.417 1.00 26.32 O ATOM 391 N THR A 51 12.232 17.922 25.521 1.00 18.74 N ATOM 392 CA THR A 51 12.059 17.741 24.079 1.00 19.85 C ATOM 393 C THR A 51 10.566 17.922 23.766 1.00 21.39 C ATOM 394 O THR A 51 9.711 17.647 24.634 1.00 21.16 O ATOM 395 CB THR A 51 12.533 16.329 23.657 1.00 14.96 C ATOM 396 OG1 THR A 51 13.894 16.150 24.083 1.00 21.49 O ATOM 397 CG2 THR A 51 12.440 16.127 22.133 1.00 12.19 C ATOM 398 N ASP A 52 10.267 18.449 22.580 1.00 17.78 N ATOM 399 CA ASP A 52 8.899 18.657 22.164 1.00 19.49 C ATOM 400 C ASP A 52 8.527 17.531 21.213 1.00 20.78 C ATOM 401 O ASP A 52 9.308 17.173 20.321 1.00 22.19 O ATOM 402 CB ASP A 52 8.771 19.988 21.480 1.00 19.52 C ATOM 403 CG ASP A 52 9.110 21.131 22.384 1.00 20.94 C ATOM 404 OD1 ASP A 52 8.771 21.099 23.583 1.00 20.93 O ATOM 405 OD2 ASP A 52 9.713 22.100 21.886 1.00 31.47 O ATOM 406 N TYR A 53 7.305 17.031 21.345 1.00 22.73 N ATOM 407 CA TYR A 53 6.882 15.883 20.557 1.00 18.25 C ATOM 408 C TYR A 53 5.632 16.025 19.755 1.00 19.16 C ATOM 409 O TYR A 53 4.643 16.537 20.240 1.00 23.21 O ATOM 410 CB TYR A 53 6.613 14.684 21.487 1.00 18.24 C ATOM 411 CG TYR A 53 7.815 14.142 22.186 1.00 19.06 C ATOM 412 CD1 TYR A 53 8.255 14.719 23.372 1.00 17.61 C ATOM 413 CD2 TYR A 53 8.569 13.099 21.634 1.00 18.92 C ATOM 414 CE1 TYR A 53 9.406 14.293 23.988 1.00 17.27 C ATOM 415 CE2 TYR A 53 9.732 12.670 22.250 1.00 15.67 C ATOM 416 CZ TYR A 53 10.132 13.278 23.421 1.00 17.09 C ATOM 417 OH TYR A 53 11.241 12.858 24.090 1.00 21.95 O ATOM 418 N GLY A 54 5.668 15.504 18.548 1.00 19.54 N ATOM 419 CA GLY A 54 4.478 15.457 17.749 1.00 18.43 C ATOM 420 C GLY A 54 4.036 16.666 17.019 1.00 17.55 C ATOM 421 O GLY A 54 4.691 17.701 17.029 1.00 17.86 O ATOM 422 N ILE A 55 2.880 16.486 16.396 1.00 14.20 N ATOM 423 CA ILE A 55 2.212 17.455 15.574 1.00 19.22 C ATOM 424 C ILE A 55 1.970 18.762 16.303 1.00 19.74 C ATOM 425 O ILE A 55 2.013 19.828 15.701 1.00 20.69 O ATOM 426 CB ILE A 55 0.902 16.834 14.981 1.00 19.59 C ATOM 427 CG1 ILE A 55 0.339 17.709 13.889 1.00 24.69 C ATOM 428 CG2 ILE A 55 -0.161 16.625 16.058 1.00 19.70 C ATOM 429 CD1 ILE A 55 -0.527 16.956 12.950 1.00 33.29 C ATOM 430 N LEU A 56 1.701 18.691 17.600 1.00 24.08 N ATOM 431 CA LEU A 56 1.490 19.911 18.372 1.00 24.65 C ATOM 432 C LEU A 56 2.697 20.201 19.252 1.00 26.57 C ATOM 433 O LEU A 56 2.613 21.064 20.104 1.00 28.67 O ATOM 434 CB LEU A 56 0.211 19.864 19.237 1.00 24.90 C ATOM 435 CG LEU A 56 -1.099 20.607 18.852 1.00 26.58 C ATOM 436 CD1 LEU A 56 -0.915 21.610 17.730 1.00 22.93 C ATOM 437 CD2 LEU A 56 -2.168 19.628 18.458 1.00 24.72 C ATOM 438 N GLN A 57 3.797 19.464 19.085 1.00 24.20 N ATOM 439 CA GLN A 57 5.018 19.703 19.854 1.00 15.52 C ATOM 440 C GLN A 57 4.824 19.887 21.364 1.00 19.26 C ATOM 441 O GLN A 57 5.243 20.888 21.960 1.00 17.02 O ATOM 442 CB GLN A 57 5.744 20.899 19.263 1.00 17.70 C ATOM 443 CG GLN A 57 6.278 20.661 17.885 1.00 16.12 C ATOM 444 CD GLN A 57 7.513 19.769 17.871 1.00 19.87 C ATOM 445 OE1 GLN A 57 8.594 20.200 18.225 1.00 21.35 O ATOM 446 NE2 GLN A 57 7.346 18.538 17.445 1.00 22.56 N ATOM 447 N ILE A 58 4.246 18.868 21.984 1.00 19.37 N ATOM 448 CA ILE A 58 3.957 18.887 23.399 1.00 20.31 C ATOM 449 C ILE A 58 5.264 18.620 24.138 1.00 22.98 C ATOM 450 O ILE A 58 6.001 17.702 23.784 1.00 21.11 O ATOM 451 CB ILE A 58 2.825 17.878 23.693 1.00 22.46 C ATOM 452 CG1 ILE A 58 1.528 18.382 23.013 1.00 21.41 C ATOM 453 CG2 ILE A 58 2.678 17.610 25.200 1.00 23.77 C ATOM 454 CD1 ILE A 58 0.353 17.480 23.190 1.00 19.07 C ATOM 455 N ASN A 59 5.538 19.469 25.133 1.00 24.48 N ATOM 456 CA ASN A 59 6.767 19.452 25.914 1.00 21.75 C ATOM 457 C ASN A 59 6.895 18.383 26.999 1.00 26.12 C ATOM 458 O ASN A 59 5.978 18.200 27.794 1.00 28.78 O ATOM 459 CB ASN A 59 6.963 20.835 26.505 1.00 18.30 C ATOM 460 CG ASN A 59 8.291 20.983 27.205 1.00 17.60 C ATOM 461 OD1 ASN A 59 8.374 20.885 28.423 1.00 20.50 O ATOM 462 ND2 ASN A 59 9.336 21.227 26.445 1.00 17.86 N ATOM 463 N SER A 60 8.058 17.725 27.066 1.00 28.06 N ATOM 464 CA SER A 60 8.314 16.654 28.032 1.00 26.70 C ATOM 465 C SER A 60 8.503 17.045 29.491 1.00 32.47 C ATOM 466 O SER A 60 8.407 16.200 30.374 1.00 34.46 O ATOM 467 CB SER A 60 9.485 15.771 27.591 1.00 28.47 C ATOM 468 OG SER A 60 10.699 16.487 27.568 1.00 29.66 O ATOM 469 N ARG A 61 8.761 18.316 29.760 1.00 37.65 N ATOM 470 CA ARG A 61 8.940 18.770 31.143 1.00 41.28 C ATOM 471 C ARG A 61 7.620 18.709 31.973 1.00 38.92 C ATOM 472 O ARG A 61 7.639 18.272 33.136 1.00 39.15 O ATOM 473 CB ARG A 61 9.556 20.182 31.129 1.00 44.27 C ATOM 474 CG ARG A 61 9.703 20.904 32.461 1.00 51.25 C ATOM 475 CD ARG A 61 10.781 20.313 33.361 1.00 59.40 C ATOM 476 NE ARG A 61 11.081 21.185 34.504 1.00 66.00 N ATOM 477 CZ ARG A 61 10.397 21.222 35.652 1.00 68.74 C ATOM 478 NH1 ARG A 61 9.341 20.435 35.854 1.00 70.06 N ATOM 479 NH2 ARG A 61 10.786 22.045 36.623 1.00 69.98 N ATOM 480 N TRP A 62 6.480 19.027 31.351 1.00 34.59 N ATOM 481 CA TRP A 62 5.191 19.041 32.062 1.00 35.99 C ATOM 482 C TRP A 62 4.133 18.067 31.604 1.00 30.28 C ATOM 483 O TRP A 62 3.396 17.522 32.405 1.00 32.37 O ATOM 484 CB TRP A 62 4.522 20.419 31.944 1.00 39.68 C ATOM 485 CG TRP A 62 5.326 21.522 32.434 1.00 46.39 C ATOM 486 CD1 TRP A 62 6.033 22.405 31.682 1.00 47.13 C ATOM 487 CD2 TRP A 62 5.609 21.827 33.799 1.00 49.10 C ATOM 488 NE1 TRP A 62 6.759 23.237 32.497 1.00 51.89 N ATOM 489 CE2 TRP A 62 6.518 22.901 33.804 1.00 51.32 C ATOM 490 CE3 TRP A 62 5.197 21.286 35.020 1.00 52.23 C ATOM 491 CZ2 TRP A 62 7.022 23.449 34.981 1.00 55.58 C ATOM 492 CZ3 TRP A 62 5.698 21.829 36.192 1.00 55.84 C ATOM 493 CH2 TRP A 62 6.602 22.897 36.164 1.00 56.91 C ATOM 494 N TRP A 63 4.048 17.870 30.305 1.00 29.02 N ATOM 495 CA TRP A 63 2.994 17.073 29.746 1.00 27.53 C ATOM 496 C TRP A 63 3.145 15.598 29.521 1.00 27.91 C ATOM 497 O TRP A 63 2.208 14.843 29.778 1.00 26.69 O ATOM 498 CB TRP A 63 2.524 17.791 28.501 1.00 25.74 C ATOM 499 CG TRP A 63 2.295 19.212 28.852 1.00 27.02 C ATOM 500 CD1 TRP A 63 3.128 20.241 28.597 1.00 28.41 C ATOM 501 CD2 TRP A 63 1.217 19.753 29.659 1.00 27.50 C ATOM 502 NE1 TRP A 63 2.662 21.395 29.203 1.00 30.85 N ATOM 503 CE2 TRP A 63 1.490 21.122 29.858 1.00 28.08 C ATOM 504 CE3 TRP A 63 0.059 19.210 30.235 1.00 26.11 C ATOM 505 CZ2 TRP A 63 0.648 21.961 30.612 1.00 24.21 C ATOM 506 CZ3 TRP A 63 -0.768 20.042 30.982 1.00 23.85 C ATOM 507 CH2 TRP A 63 -0.466 21.404 31.163 1.00 22.14 C ATOM 508 N CYS A 64 4.308 15.158 29.075 1.00 29.03 N ATOM 509 CA CYS A 64 4.494 13.741 28.831 1.00 27.02 C ATOM 510 C CYS A 64 5.794 13.252 29.432 1.00 30.82 C ATOM 511 O CYS A 64 6.640 14.058 29.840 1.00 27.91 O ATOM 512 CB CYS A 64 4.420 13.442 27.325 1.00 26.30 C ATOM 513 SG CYS A 64 5.696 14.186 26.257 1.00 29.26 S ATOM 514 N ASN A 65 5.922 11.937 29.573 1.00 29.52 N ATOM 515 CA ASN A 65 7.150 11.375 30.132 1.00 29.54 C ATOM 516 C ASN A 65 7.987 10.732 29.038 1.00 29.02 C ATOM 517 O ASN A 65 7.469 9.948 28.238 1.00 30.12 O ATOM 518 CB ASN A 65 6.822 10.347 31.209 1.00 29.71 C ATOM 519 CG ASN A 65 8.056 9.696 31.769 1.00 32.25 C ATOM 520 OD1 ASN A 65 9.058 10.355 32.017 1.00 36.66 O ATOM 521 ND2 ASN A 65 8.000 8.385 31.949 1.00 35.06 N ATOM 522 N ASP A 66 9.248 11.119 28.934 1.00 25.12 N ATOM 523 CA ASP A 66 10.095 10.513 27.935 1.00 23.46 C ATOM 524 C ASP A 66 11.258 9.809 28.607 1.00 25.09 C ATOM 525 O ASP A 66 12.210 9.396 27.949 1.00 29.40 O ATOM 526 CB ASP A 66 10.573 11.522 26.889 1.00 19.92 C ATOM 527 CG ASP A 66 11.486 12.588 27.456 1.00 19.85 C ATOM 528 OD1 ASP A 66 11.747 12.622 28.666 1.00 21.58 O ATOM 529 OD2 ASP A 66 11.980 13.397 26.658 1.00 18.50 O ATOM 530 N GLY A 67 11.212 9.731 29.924 1.00 23.46 N ATOM 531 CA GLY A 67 12.258 9.041 30.637 1.00 27.96 C ATOM 532 C GLY A 67 13.642 9.599 30.400 1.00 31.48 C ATOM 533 O GLY A 67 14.563 8.842 30.124 1.00 41.48 O ATOM 534 N ARG A 68 13.794 10.914 30.475 1.00 29.27 N ATOM 535 CA ARG A 68 15.094 11.554 30.303 1.00 30.76 C ATOM 536 C ARG A 68 14.984 13.061 30.516 1.00 33.11 C ATOM 537 O ARG A 68 15.868 13.816 30.121 1.00 37.23 O ATOM 538 CB ARG A 68 15.753 11.227 28.940 1.00 27.63 C ATOM 539 CG ARG A 68 15.317 12.090 27.758 1.00 30.85 C ATOM 540 CD ARG A 68 16.230 11.980 26.543 1.00 28.32 C ATOM 541 NE ARG A 68 15.798 12.900 25.497 1.00 30.66 N ATOM 542 CZ ARG A 68 16.310 12.966 24.267 1.00 34.59 C ATOM 543 NH1 ARG A 68 17.301 12.165 23.899 1.00 37.05 N ATOM 544 NH2 ARG A 68 15.803 13.820 23.377 1.00 36.33 N ATOM 545 N THR A 69 13.866 13.500 31.091 1.00 35.74 N ATOM 546 CA THR A 69 13.654 14.913 31.385 1.00 37.73 C ATOM 547 C THR A 69 13.388 14.974 32.882 1.00 46.03 C ATOM 548 O THR A 69 12.332 14.535 33.357 1.00 48.96 O ATOM 549 CB THR A 69 12.419 15.517 30.651 1.00 33.57 C ATOM 550 OG1 THR A 69 12.543 15.324 29.235 1.00 28.08 O ATOM 551 CG2 THR A 69 12.310 17.022 30.953 1.00 24.83 C ATOM 552 N PRO A 70 14.366 15.459 33.660 1.00 51.56 N ATOM 553 CA PRO A 70 14.180 15.547 35.112 1.00 53.25 C ATOM 554 C PRO A 70 13.123 16.587 35.486 1.00 52.54 C ATOM 555 O PRO A 70 12.970 17.626 34.820 1.00 51.38 O ATOM 556 CB PRO A 70 15.573 15.915 35.608 1.00 53.97 C ATOM 557 CG PRO A 70 16.100 16.764 34.479 1.00 54.80 C ATOM 558 CD PRO A 70 15.688 15.973 33.263 1.00 54.60 C ATOM 559 N GLY A 71 12.427 16.311 36.579 1.00 51.59 N ATOM 560 CA GLY A 71 11.372 17.190 37.033 1.00 54.26 C ATOM 561 C GLY A 71 10.162 17.014 36.144 1.00 50.71 C ATOM 562 O GLY A 71 9.248 17.834 36.168 1.00 53.92 O ATOM 563 N SER A 72 10.185 15.957 35.338 1.00 46.34 N ATOM 564 CA SER A 72 9.107 15.626 34.424 1.00 44.99 C ATOM 565 C SER A 72 7.801 15.392 35.215 1.00 45.88 C ATOM 566 O SER A 72 7.686 14.421 35.961 1.00 44.96 O ATOM 567 CB SER A 72 9.519 14.378 33.644 1.00 44.10 C ATOM 568 OG SER A 72 8.442 13.784 32.950 1.00 50.58 O ATOM 569 N ARG A 73 6.813 16.268 35.043 1.00 46.01 N ATOM 570 CA ARG A 73 5.558 16.133 35.776 1.00 40.43 C ATOM 571 C ARG A 73 4.499 15.255 35.117 1.00 35.27 C ATOM 572 O ARG A 73 3.565 14.801 35.767 1.00 36.97 O ATOM 573 CB ARG A 73 5.043 17.510 36.188 1.00 47.58 C ATOM 574 CG ARG A 73 6.037 18.192 37.152 1.00 56.91 C ATOM 575 CD ARG A 73 5.431 19.271 38.013 1.00 66.29 C ATOM 576 NE ARG A 73 4.140 18.860 38.566 1.00 76.34 N ATOM 577 CZ ARG A 73 3.016 19.580 38.480 1.00 80.81 C ATOM 578 NH1 ARG A 73 3.007 20.763 37.864 1.00 81.81 N ATOM 579 NH2 ARG A 73 1.883 19.105 38.991 1.00 83.48 N ATOM 580 N ASN A 74 4.684 14.967 33.839 1.00 31.42 N ATOM 581 CA ASN A 74 3.790 14.090 33.094 1.00 28.11 C ATOM 582 C ASN A 74 2.294 14.290 33.336 1.00 30.39 C ATOM 583 O ASN A 74 1.583 13.314 33.556 1.00 30.50 O ATOM 584 CB ASN A 74 4.167 12.638 33.392 1.00 22.95 C ATOM 585 CG ASN A 74 3.519 11.651 32.452 1.00 23.51 C ATOM 586 OD1 ASN A 74 3.625 10.452 32.637 1.00 28.82 O ATOM 587 ND2 ASN A 74 2.900 12.139 31.414 1.00 20.67 N ATOM 588 N LEU A 75 1.800 15.517 33.151 1.00 31.37 N ATOM 589 CA LEU A 75 0.378 15.858 33.370 1.00 33.94 C ATOM 590 C LEU A 75 -0.678 15.108 32.560 1.00 32.89 C ATOM 591 O LEU A 75 -1.770 14.836 33.061 1.00 37.33 O ATOM 592 CB LEU A 75 0.161 17.366 33.255 1.00 36.62 C ATOM 593 CG LEU A 75 0.266 18.188 34.546 1.00 35.65 C ATOM 594 CD1 LEU A 75 1.168 17.502 35.532 1.00 40.67 C ATOM 595 CD2 LEU A 75 0.756 19.609 34.264 1.00 35.42 C ATOM 596 N CYS A 76 -0.380 14.781 31.315 1.00 30.94 N ATOM 597 CA CYS A 76 -1.333 14.021 30.518 1.00 31.27 C ATOM 598 C CYS A 76 -1.113 12.516 30.738 1.00 32.73 C ATOM 599 O CYS A 76 -1.744 11.692 30.072 1.00 32.71 O ATOM 600 CB CYS A 76 -1.215 14.372 29.030 1.00 31.64 C ATOM 601 SG CYS A 76 -1.386 16.149 28.654 1.00 26.01 S ATOM 602 N ASN A 77 -0.232 12.173 31.691 1.00 34.94 N ATOM 603 CA ASN A 77 0.117 10.780 32.051 1.00 41.35 C ATOM 604 C ASN A 77 0.236 9.855 30.835 1.00 37.59 C ATOM 605 O ASN A 77 -0.523 8.911 30.660 1.00 40.43 O ATOM 606 CB ASN A 77 -0.839 10.205 33.128 1.00 48.36 C ATOM 607 CG ASN A 77 -0.278 10.342 34.573 1.00 54.68 C ATOM 608 OD1 ASN A 77 0.516 9.500 35.029 1.00 59.27 O ATOM 609 ND2 ASN A 77 -0.695 11.397 35.289 1.00 55.11 N ATOM 610 N ILE A 78 1.260 10.093 30.036 1.00 34.34 N ATOM 611 CA ILE A 78 1.425 9.344 28.825 1.00 31.85 C ATOM 612 C ILE A 78 2.879 9.430 28.379 1.00 32.58 C ATOM 613 O ILE A 78 3.589 10.397 28.688 1.00 30.50 O ATOM 614 CB ILE A 78 0.517 9.988 27.760 1.00 32.44 C ATOM 615 CG1 ILE A 78 0.194 9.010 26.665 1.00 32.75 C ATOM 616 CG2 ILE A 78 1.141 11.282 27.194 1.00 28.17 C ATOM 617 CD1 ILE A 78 -0.923 9.502 25.816 1.00 38.45 C ATOM 618 N PRO A 79 3.382 8.363 27.762 1.00 31.84 N ATOM 619 CA PRO A 79 4.773 8.410 27.303 1.00 30.15 C ATOM 620 C PRO A 79 4.796 9.311 26.074 1.00 25.82 C ATOM 621 O PRO A 79 3.867 9.275 25.259 1.00 21.71 O ATOM 622 CB PRO A 79 5.059 6.959 26.939 1.00 27.40 C ATOM 623 CG PRO A 79 3.691 6.450 26.494 1.00 31.55 C ATOM 624 CD PRO A 79 2.784 7.032 27.553 1.00 29.75 C ATOM 625 N CYS A 80 5.826 10.139 25.947 1.00 23.56 N ATOM 626 CA CYS A 80 5.932 11.040 24.802 1.00 21.18 C ATOM 627 C CYS A 80 5.837 10.389 23.415 1.00 20.67 C ATOM 628 O CYS A 80 5.358 11.008 22.473 1.00 19.05 O ATOM 629 CB CYS A 80 7.192 11.857 24.905 1.00 21.49 C ATOM 630 SG CYS A 80 7.233 12.866 26.403 1.00 27.42 S ATOM 631 N SER A 81 6.251 9.126 23.309 1.00 19.50 N ATOM 632 CA SER A 81 6.196 8.395 22.051 1.00 18.33 C ATOM 633 C SER A 81 4.743 8.168 21.627 1.00 18.28 C ATOM 634 O SER A 81 4.444 7.940 20.465 1.00 18.25 O ATOM 635 CB SER A 81 6.927 7.048 22.189 1.00 24.14 C ATOM 636 OG SER A 81 6.510 6.320 23.347 1.00 25.71 O ATOM 637 N ALA A 82 3.825 8.251 22.575 1.00 20.93 N ATOM 638 CA ALA A 82 2.431 8.077 22.242 1.00 23.07 C ATOM 639 C ALA A 82 1.979 9.277 21.420 1.00 27.62 C ATOM 640 O ALA A 82 0.967 9.206 20.729 1.00 34.75 O ATOM 641 CB ALA A 82 1.629 7.985 23.481 1.00 22.40 C ATOM 642 N LEU A 83 2.728 10.381 21.489 1.00 29.76 N ATOM 643 CA LEU A 83 2.385 11.606 20.757 1.00 25.52 C ATOM 644 C LEU A 83 2.953 11.683 19.335 1.00 27.88 C ATOM 645 O LEU A 83 2.687 12.640 18.606 1.00 26.39 O ATOM 646 CB LEU A 83 2.857 12.838 21.526 1.00 24.99 C ATOM 647 CG LEU A 83 2.417 12.990 22.983 1.00 24.06 C ATOM 648 CD1 LEU A 83 2.922 14.354 23.521 1.00 18.40 C ATOM 649 CD2 LEU A 83 0.884 12.819 23.112 1.00 23.18 C ATOM 650 N LEU A 84 3.765 10.703 18.952 1.00 25.20 N ATOM 651 CA LEU A 84 4.360 10.693 17.629 1.00 23.82 C ATOM 652 C LEU A 84 3.600 9.754 16.730 1.00 26.13 C ATOM 653 O LEU A 84 4.032 9.448 15.620 1.00 32.00 O ATOM 654 CB LEU A 84 5.811 10.249 17.691 1.00 26.25 C ATOM 655 CG LEU A 84 6.835 11.062 18.492 1.00 27.87 C ATOM 656 CD1 LEU A 84 8.239 10.645 18.068 1.00 25.95 C ATOM 657 CD2 LEU A 84 6.650 12.509 18.230 1.00 24.79 C ATOM 658 N SER A 85 2.483 9.267 17.234 1.00 26.49 N ATOM 659 CA SER A 85 1.625 8.344 16.513 1.00 27.85 C ATOM 660 C SER A 85 0.909 9.010 15.329 1.00 27.97 C ATOM 661 O SER A 85 0.709 10.228 15.317 1.00 30.73 O ATOM 662 CB SER A 85 0.599 7.785 17.495 1.00 28.90 C ATOM 663 OG SER A 85 -0.412 7.084 16.805 1.00 34.77 O ATOM 664 N SER A 86 0.506 8.206 14.350 1.00 27.46 N ATOM 665 CA SER A 86 -0.210 8.717 13.187 1.00 33.23 C ATOM 666 C SER A 86 -1.702 8.973 13.492 1.00 32.94 C ATOM 667 O SER A 86 -2.441 9.464 12.644 1.00 34.51 O ATOM 668 CB SER A 86 -0.051 7.765 12.003 1.00 34.94 C ATOM 669 OG SER A 86 -0.459 6.452 12.347 1.00 38.92 O ATOM 670 N ASP A 87 -2.131 8.593 14.693 1.00 32.31 N ATOM 671 CA ASP A 87 -3.493 8.783 15.187 1.00 33.39 C ATOM 672 C ASP A 87 -3.338 9.882 16.239 1.00 32.90 C ATOM 673 O ASP A 87 -2.916 9.632 17.374 1.00 33.67 O ATOM 674 CB ASP A 87 -3.988 7.480 15.830 1.00 36.16 C ATOM 675 CG ASP A 87 -5.088 7.703 16.855 1.00 39.54 C ATOM 676 OD1 ASP A 87 -6.083 8.378 16.532 1.00 38.98 O ATOM 677 OD2 ASP A 87 -4.951 7.202 17.993 1.00 42.17 O ATOM 678 N ILE A 88 -3.727 11.087 15.863 1.00 29.60 N ATOM 679 CA ILE A 88 -3.580 12.256 16.710 1.00 27.69 C ATOM 680 C ILE A 88 -4.358 12.301 18.002 1.00 26.42 C ATOM 681 O ILE A 88 -4.243 13.265 18.751 1.00 26.26 O ATOM 682 CB ILE A 88 -3.926 13.532 15.933 1.00 31.03 C ATOM 683 CG1 ILE A 88 -5.432 13.565 15.608 1.00 30.79 C ATOM 684 CG2 ILE A 88 -3.055 13.632 14.689 1.00 28.30 C ATOM 685 CD1 ILE A 88 -5.935 14.887 15.051 1.00 29.79 C ATOM 686 N THR A 89 -5.127 11.272 18.303 1.00 26.19 N ATOM 687 CA THR A 89 -5.924 11.284 19.537 1.00 24.14 C ATOM 688 C THR A 89 -5.224 11.706 20.831 1.00 25.17 C ATOM 689 O THR A 89 -5.690 12.600 21.539 1.00 30.58 O ATOM 690 CB THR A 89 -6.608 9.929 19.761 1.00 23.80 C ATOM 691 OG1 THR A 89 -7.422 9.629 18.619 1.00 25.07 O ATOM 692 CG2 THR A 89 -7.479 9.985 20.990 1.00 17.60 C ATOM 693 N ALA A 90 -4.121 11.053 21.165 1.00 24.13 N ATOM 694 CA ALA A 90 -3.400 11.381 22.389 1.00 25.20 C ATOM 695 C ALA A 90 -2.916 12.821 22.419 1.00 25.49 C ATOM 696 O ALA A 90 -2.889 13.431 23.490 1.00 25.08 O ATOM 697 CB ALA A 90 -2.213 10.436 22.564 1.00 27.27 C ATOM 698 N SER A 91 -2.438 13.314 21.268 1.00 24.36 N ATOM 699 CA SER A 91 -1.939 14.685 21.128 1.00 24.56 C ATOM 700 C SER A 91 -3.117 15.618 21.301 1.00 24.25 C ATOM 701 O SER A 91 -3.012 16.636 21.965 1.00 29.36 O ATOM 702 CB SER A 91 -1.313 14.938 19.746 1.00 23.28 C ATOM 703 OG SER A 91 0.033 14.483 19.662 1.00 21.67 O ATOM 704 N VAL A 92 -4.248 15.257 20.707 1.00 26.06 N ATOM 705 CA VAL A 92 -5.439 16.076 20.815 1.00 23.81 C ATOM 706 C VAL A 92 -5.915 16.117 22.270 1.00 27.21 C ATOM 707 O VAL A 92 -6.059 17.202 22.860 1.00 31.33 O ATOM 708 CB VAL A 92 -6.535 15.569 19.880 1.00 22.68 C ATOM 709 CG1 VAL A 92 -7.826 16.299 20.171 1.00 27.59 C ATOM 710 CG2 VAL A 92 -6.136 15.819 18.419 1.00 17.93 C ATOM 711 N ASN A 93 -6.007 14.954 22.907 1.00 26.08 N ATOM 712 CA ASN A 93 -6.479 14.909 24.286 1.00 26.38 C ATOM 713 C ASN A 93 -5.602 15.676 25.246 1.00 28.92 C ATOM 714 O ASN A 93 -6.095 16.259 26.213 1.00 33.61 O ATOM 715 CB ASN A 93 -6.593 13.475 24.784 1.00 30.20 C ATOM 716 CG ASN A 93 -7.744 12.718 24.151 1.00 35.94 C ATOM 717 OD1 ASN A 93 -8.686 13.307 23.608 1.00 36.47 O ATOM 718 ND2 ASN A 93 -7.673 11.390 24.216 1.00 41.01 N ATOM 719 N CYS A 94 -4.292 15.601 25.034 1.00 26.69 N ATOM 720 CA CYS A 94 -3.338 16.294 25.894 1.00 24.86 C ATOM 721 C CYS A 94 -3.397 17.790 25.547 1.00 25.36 C ATOM 722 O CYS A 94 -3.336 18.650 26.438 1.00 25.71 O ATOM 723 CB CYS A 94 -1.923 15.707 25.698 1.00 23.21 C ATOM 724 SG CYS A 94 -0.626 16.357 26.800 1.00 27.09 S ATOM 725 N ALA A 95 -3.594 18.101 24.268 1.00 22.82 N ATOM 726 CA ALA A 95 -3.684 19.496 23.824 1.00 20.41 C ATOM 727 C ALA A 95 -4.816 20.182 24.584 1.00 25.14 C ATOM 728 O ALA A 95 -4.661 21.307 25.077 1.00 29.69 O ATOM 729 CB ALA A 95 -3.942 19.559 22.345 1.00 18.44 C ATOM 730 N LYS A 96 -5.936 19.482 24.732 1.00 28.07 N ATOM 731 CA LYS A 96 -7.078 20.035 25.450 1.00 27.42 C ATOM 732 C LYS A 96 -6.736 20.446 26.861 1.00 27.15 C ATOM 733 O LYS A 96 -7.274 21.427 27.339 1.00 31.80 O ATOM 734 CB LYS A 96 -8.216 19.036 25.522 1.00 31.17 C ATOM 735 CG LYS A 96 -8.863 18.725 24.205 1.00 33.73 C ATOM 736 CD LYS A 96 -10.009 17.751 24.430 1.00 36.76 C ATOM 737 CE LYS A 96 -10.887 17.621 23.197 1.00 41.86 C ATOM 738 NZ LYS A 96 -12.085 16.764 23.493 1.00 45.30 N ATOM 739 N LYS A 97 -5.894 19.680 27.554 1.00 26.54 N ATOM 740 CA LYS A 97 -5.521 20.022 28.928 1.00 29.81 C ATOM 741 C LYS A 97 -4.624 21.256 28.942 1.00 30.99 C ATOM 742 O LYS A 97 -4.767 22.148 29.782 1.00 33.39 O ATOM 743 CB LYS A 97 -4.786 18.872 29.626 1.00 33.06 C ATOM 744 CG LYS A 97 -5.527 17.546 29.666 1.00 44.02 C ATOM 745 CD LYS A 97 -4.792 16.523 30.543 1.00 49.27 C ATOM 746 CE LYS A 97 -4.863 16.875 32.033 1.00 51.57 C ATOM 747 NZ LYS A 97 -6.162 16.476 32.677 1.00 54.94 N ATOM 748 N ILE A 98 -3.672 21.300 28.021 1.00 28.77 N ATOM 749 CA ILE A 98 -2.769 22.439 27.946 1.00 26.50 C ATOM 750 C ILE A 98 -3.574 23.737 27.689 1.00 23.10 C ATOM 751 O ILE A 98 -3.388 24.747 28.361 1.00 20.25 O ATOM 752 CB ILE A 98 -1.714 22.222 26.817 1.00 21.81 C ATOM 753 CG1 ILE A 98 -0.943 20.927 27.044 1.00 20.11 C ATOM 754 CG2 ILE A 98 -0.746 23.381 26.759 1.00 23.58 C ATOM 755 CD1 ILE A 98 -0.019 20.613 25.932 1.00 19.23 C ATOM 756 N VAL A 99 -4.494 23.696 26.740 1.00 25.07 N ATOM 757 CA VAL A 99 -5.280 24.886 26.421 1.00 28.91 C ATOM 758 C VAL A 99 -6.211 25.320 27.568 1.00 32.51 C ATOM 759 O VAL A 99 -6.556 26.504 27.662 1.00 36.51 O ATOM 760 CB VAL A 99 -6.050 24.724 25.058 1.00 25.72 C ATOM 761 CG1 VAL A 99 -7.286 23.920 25.235 1.00 26.59 C ATOM 762 CG2 VAL A 99 -6.371 26.071 24.449 1.00 23.20 C ATOM 763 N SER A 100 -6.556 24.384 28.459 1.00 34.38 N ATOM 764 CA SER A 100 -7.433 24.649 29.608 1.00 37.39 C ATOM 765 C SER A 100 -6.614 25.072 30.807 1.00 42.29 C ATOM 766 O SER A 100 -7.145 25.382 31.865 1.00 43.98 O ATOM 767 CB SER A 100 -8.190 23.388 30.026 1.00 34.55 C ATOM 768 OG SER A 100 -8.977 22.857 28.983 1.00 36.56 O ATOM 769 N ASP A 101 -5.305 25.024 30.636 1.00 50.81 N ATOM 770 CA ASP A 101 -4.329 25.342 31.664 1.00 53.61 C ATOM 771 C ASP A 101 -4.474 26.751 32.236 1.00 53.15 C ATOM 772 O ASP A 101 -3.985 27.050 33.327 1.00 52.85 O ATOM 773 CB ASP A 101 -2.952 25.174 31.027 1.00 59.72 C ATOM 774 CG ASP A 101 -1.855 24.987 32.027 1.00 65.17 C ATOM 775 OD1 ASP A 101 -2.117 24.401 33.108 1.00 68.07 O ATOM 776 OD2 ASP A 101 -0.717 25.407 31.701 1.00 67.74 O ATOM 777 N GLY A 102 -5.138 27.624 31.492 1.00 52.34 N ATOM 778 CA GLY A 102 -5.296 28.989 31.949 1.00 52.21 C ATOM 779 C GLY A 102 -4.557 29.947 31.040 1.00 50.82 C ATOM 780 O GLY A 102 -4.984 31.094 30.882 1.00 53.82 O ATOM 781 N ASN A 103 -3.492 29.464 30.396 1.00 44.72 N ATOM 782 CA ASN A 103 -2.679 30.275 29.489 1.00 40.55 C ATOM 783 C ASN A 103 -3.152 30.236 28.008 1.00 34.84 C ATOM 784 O ASN A 103 -2.608 30.912 27.130 1.00 31.75 O ATOM 785 CB ASN A 103 -1.222 29.845 29.609 1.00 46.29 C ATOM 786 CG ASN A 103 -0.269 30.836 28.977 1.00 52.81 C ATOM 787 OD1 ASN A 103 0.549 30.476 28.113 1.00 55.67 O ATOM 788 ND2 ASN A 103 -0.362 32.099 29.402 1.00 52.42 N ATOM 789 N GLY A 104 -4.183 29.452 27.742 1.00 29.27 N ATOM 790 CA GLY A 104 -4.725 29.380 26.407 1.00 19.57 C ATOM 791 C GLY A 104 -3.727 28.853 25.421 1.00 18.30 C ATOM 792 O GLY A 104 -2.805 28.168 25.810 1.00 22.02 O ATOM 793 N MET A 105 -3.910 29.179 24.150 1.00 14.66 N ATOM 794 CA MET A 105 -3.010 28.716 23.115 1.00 19.85 C ATOM 795 C MET A 105 -1.705 29.487 23.122 1.00 21.63 C ATOM 796 O MET A 105 -0.905 29.344 22.193 1.00 20.10 O ATOM 797 CB MET A 105 -3.647 28.812 21.728 1.00 18.92 C ATOM 798 CG MET A 105 -4.601 27.687 21.403 1.00 21.59 C ATOM 799 SD MET A 105 -4.972 27.547 19.656 1.00 23.55 S ATOM 800 CE MET A 105 -3.512 26.585 19.153 1.00 17.12 C ATOM 801 N ASN A 106 -1.488 30.319 24.152 1.00 26.68 N ATOM 802 CA ASN A 106 -0.234 31.078 24.261 1.00 27.87 C ATOM 803 C ASN A 106 0.891 30.141 24.660 1.00 25.78 C ATOM 804 O ASN A 106 2.075 30.489 24.561 1.00 23.46 O ATOM 805 CB ASN A 106 -0.347 32.234 25.243 1.00 27.61 C ATOM 806 CG ASN A 106 -1.222 33.326 24.717 1.00 32.70 C ATOM 807 OD1 ASN A 106 -0.906 33.948 23.699 1.00 34.70 O ATOM 808 ND2 ASN A 106 -2.376 33.522 25.357 1.00 35.99 N ATOM 809 N ALA A 107 0.489 28.926 25.043 1.00 25.45 N ATOM 810 CA ALA A 107 1.391 27.858 25.410 1.00 25.25 C ATOM 811 C ALA A 107 2.165 27.440 24.163 1.00 25.63 C ATOM 812 O ALA A 107 3.133 26.711 24.262 1.00 33.69 O ATOM 813 CB ALA A 107 0.612 26.679 25.935 1.00 24.50 C ATOM 814 N TRP A 108 1.686 27.806 22.982 1.00 21.04 N ATOM 815 CA TRP A 108 2.385 27.456 21.774 1.00 20.40 C ATOM 816 C TRP A 108 2.968 28.720 21.189 1.00 24.49 C ATOM 817 O TRP A 108 2.266 29.573 20.627 1.00 22.64 O ATOM 818 CB TRP A 108 1.467 26.758 20.764 1.00 27.14 C ATOM 819 CG TRP A 108 1.160 25.319 21.091 1.00 27.80 C ATOM 820 CD1 TRP A 108 1.910 24.224 20.748 1.00 29.22 C ATOM 821 CD2 TRP A 108 0.006 24.811 21.793 1.00 28.81 C ATOM 822 NE1 TRP A 108 1.294 23.072 21.193 1.00 31.18 N ATOM 823 CE2 TRP A 108 0.126 23.397 21.831 1.00 30.11 C ATOM 824 CE3 TRP A 108 -1.117 25.406 22.387 1.00 25.85 C ATOM 825 CZ2 TRP A 108 -0.830 22.578 22.432 1.00 27.16 C ATOM 826 CZ3 TRP A 108 -2.069 24.587 22.986 1.00 27.16 C ATOM 827 CH2 TRP A 108 -1.919 23.189 23.001 1.00 24.85 C ATOM 828 N VAL A 109 4.279 28.830 21.336 1.00 24.03 N ATOM 829 CA VAL A 109 5.046 29.957 20.831 1.00 23.66 C ATOM 830 C VAL A 109 4.818 30.238 19.356 1.00 23.05 C ATOM 831 O VAL A 109 4.717 31.402 18.971 1.00 24.29 O ATOM 832 CB VAL A 109 6.539 29.748 21.116 1.00 26.85 C ATOM 833 CG1 VAL A 109 7.387 30.771 20.360 1.00 28.87 C ATOM 834 CG2 VAL A 109 6.769 29.870 22.618 1.00 27.17 C ATOM 835 N ALA A 110 4.736 29.197 18.525 1.00 22.65 N ATOM 836 CA ALA A 110 4.475 29.407 17.102 1.00 19.25 C ATOM 837 C ALA A 110 3.064 29.981 16.911 1.00 25.57 C ATOM 838 O ALA A 110 2.817 30.707 15.957 1.00 28.11 O ATOM 839 CB ALA A 110 4.604 28.114 16.321 1.00 20.03 C ATOM 840 N TRP A 111 2.135 29.658 17.804 1.00 23.42 N ATOM 841 CA TRP A 111 0.790 30.189 17.671 1.00 21.54 C ATOM 842 C TRP A 111 0.856 31.661 17.997 1.00 21.01 C ATOM 843 O TRP A 111 0.362 32.510 17.250 1.00 22.17 O ATOM 844 CB TRP A 111 -0.206 29.522 18.630 1.00 20.95 C ATOM 845 CG TRP A 111 -1.578 30.101 18.428 1.00 19.78 C ATOM 846 CD1 TRP A 111 -2.363 29.915 17.346 1.00 20.50 C ATOM 847 CD2 TRP A 111 -2.249 31.073 19.246 1.00 21.69 C ATOM 848 NE1 TRP A 111 -3.459 30.715 17.414 1.00 21.13 N ATOM 849 CE2 TRP A 111 -3.425 31.434 18.572 1.00 17.79 C ATOM 850 CE3 TRP A 111 -1.973 31.670 20.484 1.00 21.96 C ATOM 851 CZ2 TRP A 111 -4.339 32.373 19.087 1.00 20.27 C ATOM 852 CZ3 TRP A 111 -2.895 32.609 20.998 1.00 21.50 C ATOM 853 CH2 TRP A 111 -4.057 32.943 20.295 1.00 18.49 C ATOM 854 N ARG A 112 1.438 31.945 19.151 1.00 23.02 N ATOM 855 CA ARG A 112 1.591 33.306 19.630 1.00 26.85 C ATOM 856 C ARG A 112 2.243 34.233 18.594 1.00 28.76 C ATOM 857 O ARG A 112 1.727 35.318 18.296 1.00 25.53 O ATOM 858 CB ARG A 112 2.438 33.310 20.902 1.00 31.28 C ATOM 859 CG ARG A 112 2.166 34.510 21.794 1.00 39.51 C ATOM 860 CD ARG A 112 3.258 34.738 22.815 1.00 43.01 C ATOM 861 NE ARG A 112 3.566 33.536 23.579 1.00 46.94 N ATOM 862 CZ ARG A 112 4.793 33.054 23.733 1.00 48.68 C ATOM 863 NH1 ARG A 112 5.826 33.667 23.163 1.00 50.03 N ATOM 864 NH2 ARG A 112 4.993 31.994 24.501 1.00 48.31 N ATOM 865 N ASN A 113 3.348 33.780 18.009 1.00 26.33 N ATOM 866 CA ASN A 113 4.096 34.598 17.062 1.00 26.10 C ATOM 867 C ASN A 113 3.629 34.566 15.623 1.00 23.80 C ATOM 868 O ASN A 113 3.888 35.495 14.877 1.00 25.61 O ATOM 869 CB ASN A 113 5.586 34.213 17.095 1.00 25.52 C ATOM 870 CG ASN A 113 6.244 34.541 18.406 1.00 22.48 C ATOM 871 OD1 ASN A 113 5.895 35.521 19.048 1.00 23.28 O ATOM 872 ND2 ASN A 113 7.202 33.719 18.820 1.00 21.01 N ATOM 873 N ARG A 114 2.993 33.485 15.200 1.00 27.44 N ATOM 874 CA ARG A 114 2.585 33.381 13.797 1.00 26.96 C ATOM 875 C ARG A 114 1.108 33.135 13.475 1.00 28.49 C ATOM 876 O ARG A 114 0.726 33.198 12.311 1.00 29.36 O ATOM 877 CB ARG A 114 3.446 32.320 13.113 1.00 27.18 C ATOM 878 CG ARG A 114 4.891 32.346 13.602 1.00 25.19 C ATOM 879 CD ARG A 114 5.713 31.268 13.000 1.00 25.56 C ATOM 880 NE ARG A 114 5.860 31.450 11.565 1.00 29.45 N ATOM 881 CZ ARG A 114 6.553 30.632 10.785 1.00 28.53 C ATOM 882 NH1 ARG A 114 7.172 29.576 11.302 1.00 30.39 N ATOM 883 NH2 ARG A 114 6.612 30.863 9.489 1.00 29.68 N ATOM 884 N CYS A 115 0.279 32.857 14.480 1.00 28.87 N ATOM 885 CA CYS A 115 -1.139 32.606 14.226 1.00 28.20 C ATOM 886 C CYS A 115 -2.051 33.594 14.910 1.00 31.74 C ATOM 887 O CYS A 115 -3.085 33.984 14.349 1.00 31.35 O ATOM 888 CB CYS A 115 -1.518 31.187 14.651 1.00 28.01 C ATOM 889 SG CYS A 115 -0.530 29.931 13.784 1.00 24.83 S ATOM 890 N LYS A 116 -1.680 33.966 16.131 1.00 32.72 N ATOM 891 CA LYS A 116 -2.427 34.934 16.925 1.00 35.88 C ATOM 892 C LYS A 116 -2.693 36.174 16.057 1.00 38.84 C ATOM 893 O LYS A 116 -1.758 36.741 15.449 1.00 36.41 O ATOM 894 CB LYS A 116 -1.611 35.325 18.164 1.00 35.09 C ATOM 895 CG LYS A 116 -2.357 36.119 19.237 1.00 37.57 C ATOM 896 CD LYS A 116 -1.416 36.465 20.399 1.00 39.67 C ATOM 897 CE LYS A 116 -2.148 37.064 21.622 1.00 43.70 C ATOM 898 NZ LYS A 116 -1.227 37.399 22.786 1.00 42.28 N ATOM 899 N GLY A 117 -3.981 36.493 15.904 1.00 40.09 N ATOM 900 CA GLY A 117 -4.404 37.659 15.145 1.00 39.24 C ATOM 901 C GLY A 117 -4.067 37.698 13.665 1.00 39.84 C ATOM 902 O GLY A 117 -3.469 38.668 13.187 1.00 37.10 O ATOM 903 N THR A 118 -4.424 36.643 12.940 1.00 36.49 N ATOM 904 CA THR A 118 -4.200 36.582 11.496 1.00 35.85 C ATOM 905 C THR A 118 -5.471 35.957 10.948 1.00 36.21 C ATOM 906 O THR A 118 -6.334 35.536 11.726 1.00 34.49 O ATOM 907 CB THR A 118 -2.989 35.690 11.143 1.00 36.97 C ATOM 908 OG1 THR A 118 -3.157 34.391 11.725 1.00 38.19 O ATOM 909 CG2 THR A 118 -1.699 36.299 11.654 1.00 35.30 C ATOM 910 N ASP A 119 -5.642 35.901 9.634 1.00 42.30 N ATOM 911 CA ASP A 119 -6.867 35.256 9.169 1.00 46.34 C ATOM 912 C ASP A 119 -6.687 33.741 9.272 1.00 42.79 C ATOM 913 O ASP A 119 -6.410 33.076 8.267 1.00 42.07 O ATOM 914 CB ASP A 119 -7.261 35.670 7.734 1.00 53.21 C ATOM 915 CG ASP A 119 -8.694 35.198 7.347 1.00 55.84 C ATOM 916 OD1 ASP A 119 -9.587 35.142 8.232 1.00 54.69 O ATOM 917 OD2 ASP A 119 -8.930 34.896 6.151 1.00 56.45 O ATOM 918 N VAL A 120 -6.863 33.201 10.483 1.00 40.77 N ATOM 919 CA VAL A 120 -6.711 31.756 10.719 1.00 40.98 C ATOM 920 C VAL A 120 -7.715 30.929 9.921 1.00 42.89 C ATOM 921 O VAL A 120 -7.521 29.735 9.744 1.00 43.70 O ATOM 922 CB VAL A 120 -6.815 31.366 12.223 1.00 39.13 C ATOM 923 CG1 VAL A 120 -5.614 31.887 13.001 1.00 36.70 C ATOM 924 CG2 VAL A 120 -8.095 31.908 12.826 1.00 36.48 C ATOM 925 N GLN A 121 -8.772 31.573 9.426 1.00 42.95 N ATOM 926 CA GLN A 121 -9.801 30.914 8.629 1.00 40.16 C ATOM 927 C GLN A 121 -9.225 30.406 7.327 1.00 35.91 C ATOM 928 O GLN A 121 -9.759 29.490 6.729 1.00 35.12 O ATOM 929 CB GLN A 121 -10.890 31.895 8.217 1.00 50.26 C ATOM 930 CG GLN A 121 -11.621 32.623 9.319 1.00 60.85 C ATOM 931 CD GLN A 121 -12.914 33.260 8.795 1.00 66.18 C ATOM 932 OE1 GLN A 121 -14.015 32.851 9.175 1.00 68.49 O ATOM 933 NE2 GLN A 121 -12.780 34.239 7.897 1.00 66.35 N ATOM 934 N ALA A 122 -8.204 31.079 6.827 1.00 28.50 N ATOM 935 CA ALA A 122 -7.607 30.681 5.574 1.00 29.39 C ATOM 936 C ALA A 122 -7.074 29.255 5.597 1.00 32.03 C ATOM 937 O ALA A 122 -6.893 28.635 4.542 1.00 34.37 O ATOM 938 CB ALA A 122 -6.517 31.640 5.212 1.00 31.56 C ATOM 939 N TRP A 123 -6.855 28.741 6.802 1.00 31.15 N ATOM 940 CA TRP A 123 -6.310 27.407 7.019 1.00 35.19 C ATOM 941 C TRP A 123 -7.239 26.231 6.736 1.00 37.25 C ATOM 942 O TRP A 123 -6.773 25.104 6.522 1.00 33.31 O ATOM 943 CB TRP A 123 -5.742 27.303 8.447 1.00 34.82 C ATOM 944 CG TRP A 123 -4.521 28.151 8.663 1.00 36.15 C ATOM 945 CD1 TRP A 123 -4.430 29.303 9.389 1.00 36.11 C ATOM 946 CD2 TRP A 123 -3.217 27.920 8.106 1.00 35.06 C ATOM 947 NE1 TRP A 123 -3.156 29.810 9.316 1.00 34.82 N ATOM 948 CE2 TRP A 123 -2.390 28.979 8.540 1.00 33.31 C ATOM 949 CE3 TRP A 123 -2.673 26.917 7.292 1.00 34.91 C ATOM 950 CZ2 TRP A 123 -1.045 29.067 8.186 1.00 31.67 C ATOM 951 CZ3 TRP A 123 -1.335 27.001 6.938 1.00 34.84 C ATOM 952 CH2 TRP A 123 -0.537 28.071 7.389 1.00 32.90 C ATOM 953 N ILE A 124 -8.544 26.474 6.783 1.00 38.36 N ATOM 954 CA ILE A 124 -9.512 25.411 6.524 1.00 43.56 C ATOM 955 C ILE A 124 -10.406 25.709 5.322 1.00 44.21 C ATOM 956 O ILE A 124 -11.404 25.023 5.095 1.00 45.22 O ATOM 957 CB ILE A 124 -10.401 25.123 7.763 1.00 46.07 C ATOM 958 CG1 ILE A 124 -11.153 26.389 8.186 1.00 47.67 C ATOM 959 CG2 ILE A 124 -9.558 24.580 8.911 1.00 44.71 C ATOM 960 CD1 ILE A 124 -11.991 26.225 9.444 1.00 49.98 C ATOM 961 N ARG A 125 -10.058 26.738 4.560 1.00 47.27 N ATOM 962 CA ARG A 125 -10.837 27.101 3.393 1.00 50.67 C ATOM 963 C ARG A 125 -10.559 26.163 2.251 1.00 49.21 C ATOM 964 O ARG A 125 -9.414 25.871 1.941 1.00 48.11 O ATOM 965 CB ARG A 125 -10.537 28.534 2.949 1.00 57.52 C ATOM 966 CG ARG A 125 -11.293 29.593 3.745 1.00 65.22 C ATOM 967 CD ARG A 125 -11.134 30.999 3.160 1.00 70.25 C ATOM 968 NE ARG A 125 -11.920 31.968 3.925 1.00 74.53 N ATOM 969 CZ ARG A 125 -11.451 32.688 4.943 1.00 76.02 C ATOM 970 NH1 ARG A 125 -10.172 32.611 5.287 1.00 73.96 N ATOM 971 NH2 ARG A 125 -12.254 33.533 5.577 1.00 75.74 N ATOM 972 N GLY A 126 -11.620 25.691 1.621 1.00 48.16 N ATOM 973 CA GLY A 126 -11.449 24.805 0.491 1.00 47.64 C ATOM 974 C GLY A 126 -11.465 23.386 0.962 1.00 46.39 C ATOM 975 O GLY A 126 -11.280 22.444 0.192 1.00 49.95 O ATOM 976 N CYS A 127 -11.722 23.235 2.246 1.00 47.24 N ATOM 977 CA CYS A 127 -11.771 21.923 2.837 1.00 48.53 C ATOM 978 C CYS A 127 -13.229 21.544 3.006 1.00 50.14 C ATOM 979 O CYS A 127 -14.086 22.411 3.111 1.00 51.78 O ATOM 980 CB CYS A 127 -11.069 21.928 4.200 1.00 45.90 C ATOM 981 SG CYS A 127 -9.307 22.383 4.217 1.00 38.19 S ATOM 982 N ARG A 128 -13.517 20.250 3.006 1.00 56.21 N ATOM 983 CA ARG A 128 -14.887 19.803 3.202 1.00 62.59 C ATOM 984 C ARG A 128 -15.122 19.582 4.705 1.00 64.47 C ATOM 985 O ARG A 128 -16.070 20.141 5.278 1.00 67.38 O ATOM 986 CB ARG A 128 -15.137 18.524 2.415 1.00 65.30 C ATOM 987 CG ARG A 128 -16.592 18.111 2.356 1.00 69.57 C ATOM 988 CD ARG A 128 -16.921 17.528 0.991 1.00 73.15 C ATOM 989 NE ARG A 128 -15.995 16.463 0.602 1.00 77.76 N ATOM 990 CZ ARG A 128 -15.010 16.597 -0.288 1.00 81.76 C ATOM 991 NH1 ARG A 128 -14.808 17.764 -0.899 1.00 82.38 N ATOM 992 NH2 ARG A 128 -14.214 15.562 -0.557 1.00 81.80 N ATOM 993 N LEU A 129 -14.170 18.882 5.331 1.00 65.21 N ATOM 994 CA LEU A 129 -14.165 18.530 6.758 1.00 67.86 C ATOM 995 C LEU A 129 -14.998 17.277 7.078 1.00 70.72 C ATOM 996 O LEU A 129 -14.675 16.217 6.488 1.00 72.27 O ATOM 997 CB LEU A 129 -14.555 19.724 7.650 1.00 63.55 C ATOM 998 CG LEU A 129 -13.438 20.677 8.089 1.00 62.23 C ATOM 999 CD1 LEU A 129 -12.102 20.307 7.473 1.00 59.46 C ATOM 1000 CD2 LEU A 129 -13.822 22.095 7.725 1.00 63.23 C ATOM 1001 OXT LEU A 129 -15.925 17.347 7.919 1.00 71.56 O TER 1002 LEU A 129 HETATM 1003 O HOH A 201 3.374 20.500 4.788 1.00 37.03 O HETATM 1004 O HOH A 202 -4.075 22.813 0.556 1.00 47.81 O HETATM 1005 O HOH A 203 -11.199 28.954 11.761 1.00 22.03 O HETATM 1006 O HOH A 204 -8.054 31.691 26.160 1.00 17.83 O HETATM 1007 O HOH A 205 -10.792 31.888 23.619 1.00 18.97 O HETATM 1008 O HOH A 206 -9.354 33.135 15.522 1.00 31.04 O HETATM 1009 O HOH A 207 -6.366 33.934 15.821 1.00 45.79 O HETATM 1010 O HOH A 208 9.355 23.157 19.394 1.00 33.75 O HETATM 1011 O HOH A 209 1.698 16.639 19.662 1.00 20.93 O HETATM 1012 O HOH A 210 11.990 13.576 14.947 1.00 25.37 O HETATM 1013 O HOH A 211 2.394 23.118 23.931 1.00 32.68 O HETATM 1014 O HOH A 212 2.581 10.226 6.162 1.00 49.42 O HETATM 1015 O HOH A 213 -1.652 21.028 3.277 1.00 36.23 O HETATM 1016 O HOH A 214 -14.905 9.098 15.957 1.00 41.36 O HETATM 1017 O HOH A 215 -13.681 14.453 23.025 1.00 47.74 O HETATM 1018 O HOH A 216 -13.845 27.065 11.891 1.00 43.66 O HETATM 1019 O HOH A 217 1.925 33.675 9.757 1.00 35.50 O HETATM 1020 O HOH A 218 8.553 18.207 10.536 1.00 34.99 O HETATM 1021 O HOH A 219 6.374 10.430 6.993 1.00 30.01 O HETATM 1022 O HOH A 220 -7.491 10.942 9.307 1.00 51.86 O HETATM 1023 O HOH A 221 -14.390 24.622 5.214 1.00 42.51 O HETATM 1024 O HOH A 222 -11.382 31.533 17.320 1.00 19.95 O HETATM 1025 O HOH A 223 3.981 6.024 18.489 1.00 37.61 O HETATM 1026 O HOH A 224 -13.185 19.445 27.995 1.00 48.12 O HETATM 1027 O HOH A 225 3.637 7.616 10.260 1.00 24.83 O HETATM 1028 O HOH A 226 12.880 19.870 9.695 1.00 45.97 O HETATM 1029 O HOH A 227 14.204 15.316 26.948 1.00 29.15 O HETATM 1030 O HOH A 228 -9.448 19.000 29.676 1.00 43.24 O HETATM 1031 O HOH A 229 4.573 33.210 9.934 1.00 40.48 O HETATM 1032 O HOH A 230 -7.246 38.832 10.834 1.00 47.14 O HETATM 1033 O HOH A 231 -8.352 23.097 -0.665 1.00 52.82 O HETATM 1034 O HOH A 232 4.274 22.071 25.458 1.00 33.71 O HETATM 1035 O HOH A 233 -3.020 12.285 26.016 1.00 42.03 O HETATM 1036 O HOH A 234 11.543 11.965 32.218 1.00 30.49 O HETATM 1037 O HOH A 235 -9.271 15.649 31.429 1.00 50.26 O HETATM 1038 O HOH A 236 5.924 10.777 9.615 1.00 24.48 O HETATM 1039 O HOH A 237 -5.189 6.639 6.650 1.00 47.12 O HETATM 1040 O HOH A 238 -18.106 23.468 8.802 1.00 47.20 O HETATM 1041 O HOH A 239 -19.739 19.303 17.808 1.00 45.58 O HETATM 1042 O HOH A 240 -19.806 28.900 16.387 1.00 37.59 O HETATM 1043 O HOH A 241 10.348 19.446 12.170 1.00 27.59 O HETATM 1044 O HOH A 242 16.510 18.225 18.269 1.00 32.84 O HETATM 1045 O HOH A 243 -13.706 11.271 18.108 1.00 53.68 O HETATM 1046 O HOH A 244 -13.920 28.314 28.834 1.00 44.41 O HETATM 1047 O HOH A 245 -2.157 27.286 28.233 1.00 30.05 O HETATM 1048 O HOH A 246 -5.708 17.131 2.973 1.00 35.87 O HETATM 1049 O HOH A 247 -6.077 11.654 2.167 1.00 48.37 O HETATM 1050 O HOH A 248 -6.028 10.171 13.314 1.00 44.38 O HETATM 1051 O HOH A 249 9.352 17.992 7.913 1.00 47.55 O HETATM 1052 O HOH A 250 -3.086 8.582 19.941 1.00 32.71 O HETATM 1053 O HOH A 251 14.229 25.157 27.270 1.00 39.35 O HETATM 1054 O HOH A 252 -4.247 17.188 35.444 1.00 41.83 O HETATM 1055 O HOH A 253 -5.088 9.025 25.014 1.00 53.79 O HETATM 1056 O HOH A 254 -0.759 40.006 12.349 1.00 49.80 O HETATM 1057 O HOH A 255 9.206 24.152 15.883 1.00 42.40 O HETATM 1058 O HOH A 256 3.665 24.386 28.004 1.00 41.72 O HETATM 1059 O HOH A 257 -12.012 17.413 4.044 1.00 45.23 O HETATM 1060 O HOH A 258 -15.295 24.404 24.463 1.00 50.08 O HETATM 1061 O HOH A 259 -11.775 30.015 27.041 1.00 49.19 O HETATM 1062 O HOH A 260 -14.448 31.431 17.961 1.00 42.26 O HETATM 1063 O HOH A 261 -0.827 24.125 3.914 1.00 41.78 O HETATM 1064 O HOH A 262 7.869 26.582 15.221 1.00 43.46 O HETATM 1065 O HOH A 263 15.054 25.862 23.215 1.00 38.25 O HETATM 1066 O HOH A 264 1.601 13.652 16.671 1.00 39.20 O HETATM 1067 O HOH A 265 9.644 13.183 30.647 1.00 30.06 O HETATM 1068 O HOH A 266 8.012 3.828 24.829 1.00 49.66 O HETATM 1069 O HOH A 267 -5.017 34.745 2.734 1.00 49.62 O HETATM 1070 O HOH A 268 12.355 13.922 37.240 1.00 45.63 O HETATM 1071 O HOH A 269 -0.528 11.980 16.963 1.00 40.34 O HETATM 1072 O HOH A 270 -10.867 27.701 30.404 1.00 41.88 O HETATM 1073 O HOH A 271 14.285 19.603 32.717 1.00 44.43 O HETATM 1074 O HOH A 272 -0.536 7.048 20.448 1.00 40.54 O HETATM 1075 O HOH A 273 -2.637 32.505 9.436 1.00 48.48 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 255 0 0 3 3 11 0 6 1074 1 8 10 END