HEADER HYDROLASE 03-JUL-01 1JIT TITLE CRYSTAL STRUCTURE OF TETRAGONAL LYSOZYME GROWN IN PRESENCE TITLE 2 30% TREHALOSE COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME; 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; SOURCE 6 CELLULAR_LOCATION: CYTOPLASM KEYWDS GLYCOSIDASE, ENZYME-TETRAGONAL FORM, MUCOPEPTIDE N- KEYWDS 2 ACETYLMURAMYL HYDROLASE, HEN EGG-WHITE LYSOZYME EXPDTA X-RAY DIFFRACTION AUTHOR S.DATTA,B.K.BISWAL,M.VIJAYAN REVDAT 3 24-FEB-09 1JIT 1 VERSN REVDAT 2 01-APR-03 1JIT 1 JRNL REVDAT 1 02-NOV-01 1JIT 0 JRNL AUTH S.DATTA,B.K.BISWAL,M.VIJAYAN JRNL TITL THE EFFECT OF STABILIZING ADDITIVES ON THE JRNL TITL 2 STRUCTURE AND HYDRATION OF PROTEINS: A STUDY JRNL TITL 3 INVOLVING TETRAGONAL LYSOZYME. JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 57 1614 2001 JRNL REFN ISSN 0907-4449 JRNL PMID 11679726 JRNL DOI 10.1107/S090744490101280X REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH B.K.BISWAL,N.SUKUMAR,M.VIJAYAN REMARK 1 TITL HYDRATION, MOBILITY AND ACCESSIBILITY OF LYSOZYME: REMARK 1 TITL 2 STRUCUTRES OF A PH 6.5 ORTHORHOMBIC FORM AND ITS REMARK 1 TITL 3 LOW-HUMIDITY VARIANT AND A COMPARATIVE STUDY REMARK 1 TITL 4 INVOLVING 20 CRYSTALLOGRAPHICALLY INDEPENDENT REMARK 1 TITL 5 MOLECULES REMARK 1 REF ACTA CRYSTALLOGR.,SECT.D V. 56 1110 2000 REMARK 1 REFN ISSN 0907-4449 REMARK 1 DOI 10.1107/S0907444900008866 REMARK 1 REFERENCE 2 REMARK 1 AUTH K.MADHUSUDAN,R.KODANDAPANI,M.VIJAYAN REMARK 1 TITL PROTEIN HYDRATION AND WATER STRUCTURE: X-RAY REMARK 1 TITL 2 ANALYSIS OF A CLOSELY PACKED PROTEIN CRYSTAL WITH REMARK 1 TITL 3 VERY LOW SOLVENT CONTENT REMARK 1 REF ACTA CRYSTALLOGR.,SECT.D V. 49 234 1993 REMARK 1 REFN ISSN 0907-4449 REMARK 1 DOI 10.1107/S090744499200653X REMARK 2 REMARK 2 RESOLUTION. 1.90 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 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) : 30.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 541825.360 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 89.9 REMARK 3 NUMBER OF REFLECTIONS : 9009 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) : 0.193 REMARK 3 FREE R VALUE : 0.225 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.500 REMARK 3 FREE R VALUE TEST SET COUNT : 949 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.007 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) (%) : 87.40 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1270 REMARK 3 BIN R VALUE (WORKING SET) : 0.2290 REMARK 3 BIN FREE R VALUE : 0.2730 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.10 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 143 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.023 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 : 150 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 15.10 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 22.70 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.58000 REMARK 3 B22 (A**2) : 0.58000 REMARK 3 B33 (A**2) : -1.16000 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) : 0.20 REMARK 3 ESD FROM SIGMAA (A) : 0.15 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) : 0.16 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.006 REMARK 3 BOND ANGLES (DEGREES) : 1.30 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 22.70 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.72 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 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.42 REMARK 3 BSOL : 58.85 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 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1JIT COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-JUL-01. REMARK 100 THE RCSB ID CODE IS RCSB013820. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 293 REMARK 200 PH : 4.6 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 RU200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MAR REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 9275 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 92.3 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.06400 REMARK 200 FOR THE DATA SET : 11.3000 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) : 1.97 REMARK 200 COMPLETENESS FOR SHELL (%) : 93.0 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.22700 REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: PDB ENTRY 193L REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 40.97 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.08 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NA-ACETATE BUFFER, PH 4.6, 10% REMARK 280 NACL, 30% TREHALOSE, LIQUID DIFFUSION AT 293K 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 19.06000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.58500 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.58500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 28.59000 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.58500 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.58500 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.53000 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.58500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.58500 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 28.59000 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.58500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.58500 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.53000 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 19.06000 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 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 234 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 246 LIES ON A SPECIAL POSITION. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 238 O HOH A 238 8555 2.07 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 195 DISTANCE = 5.14 ANGSTROMS REMARK 525 HOH A 210 DISTANCE = 5.32 ANGSTROMS REMARK 525 HOH A 250 DISTANCE = 6.23 ANGSTROMS DBREF 1JIT 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 *150(H2 O) HELIX 1 1 GLY A 4 HIS A 15 1 12 HELIX 2 2 SER A 24 ASN A 37 1 14 HELIX 3 3 CYS A 80 SER A 85 5 6 HELIX 4 4 ILE A 88 ASP A 101 1 14 HELIX 5 5 ASN A 103 ALA A 107 5 5 HELIX 6 6 TRP A 108 CYS A 115 1 8 HELIX 7 7 ASP A 119 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 N ASP A 52 O ASN A 44 SHEET 3 A 3 ILE A 58 ASN A 59 -1 N ILE A 58 O TYR A 53 SSBOND 1 CYS A 6 CYS A 127 1555 1555 2.05 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 79.170 79.170 38.120 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 0.012631 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012631 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026233 0.00000 ATOM 1 N LYS A 1 3.400 10.150 10.390 1.00 20.52 N ATOM 2 CA LYS A 1 2.449 10.503 9.296 1.00 20.60 C ATOM 3 C LYS A 1 2.398 12.009 9.052 1.00 20.46 C ATOM 4 O LYS A 1 2.261 12.803 9.988 1.00 20.16 O ATOM 5 CB LYS A 1 1.043 9.999 9.650 1.00 21.08 C ATOM 6 CG LYS A 1 -0.030 10.275 8.603 1.00 22.09 C ATOM 7 CD LYS A 1 -1.388 9.774 9.094 1.00 23.01 C ATOM 8 CE LYS A 1 -2.481 9.915 8.035 1.00 23.85 C ATOM 9 NZ LYS A 1 -2.730 11.333 7.683 1.00 25.33 N ATOM 10 N VAL A 2 2.526 12.399 7.789 1.00 20.02 N ATOM 11 CA VAL A 2 2.451 13.804 7.428 1.00 19.96 C ATOM 12 C VAL A 2 1.029 14.027 6.936 1.00 20.18 C ATOM 13 O VAL A 2 0.617 13.459 5.922 1.00 20.40 O ATOM 14 CB VAL A 2 3.451 14.163 6.312 1.00 19.70 C ATOM 15 CG1 VAL A 2 3.325 15.632 5.954 1.00 19.56 C ATOM 16 CG2 VAL A 2 4.865 13.865 6.776 1.00 20.03 C ATOM 17 N PHE A 3 0.274 14.829 7.679 1.00 19.89 N ATOM 18 CA PHE A 3 -1.109 15.122 7.336 1.00 20.04 C ATOM 19 C PHE A 3 -1.260 16.161 6.244 1.00 20.13 C ATOM 20 O PHE A 3 -0.374 16.985 6.015 1.00 19.92 O ATOM 21 CB PHE A 3 -1.873 15.637 8.561 1.00 20.13 C ATOM 22 CG PHE A 3 -2.449 14.554 9.422 1.00 20.12 C ATOM 23 CD1 PHE A 3 -1.651 13.861 10.325 1.00 20.33 C ATOM 24 CD2 PHE A 3 -3.803 14.236 9.339 1.00 20.17 C ATOM 25 CE1 PHE A 3 -2.195 12.858 11.129 1.00 20.60 C ATOM 26 CE2 PHE A 3 -4.357 13.236 10.136 1.00 20.23 C ATOM 27 CZ PHE A 3 -3.551 12.547 11.037 1.00 20.75 C ATOM 28 N GLY A 4 -2.404 16.115 5.572 1.00 20.39 N ATOM 29 CA GLY A 4 -2.697 17.107 4.561 1.00 20.14 C ATOM 30 C GLY A 4 -3.428 18.173 5.356 1.00 20.06 C ATOM 31 O GLY A 4 -3.918 17.888 6.445 1.00 19.86 O ATOM 32 N ARG A 5 -3.503 19.392 4.837 1.00 20.19 N ATOM 33 CA ARG A 5 -4.181 20.472 5.544 1.00 20.43 C ATOM 34 C ARG A 5 -5.625 20.120 5.914 1.00 20.27 C ATOM 35 O ARG A 5 -5.991 20.120 7.094 1.00 19.74 O ATOM 36 CB ARG A 5 -4.156 21.735 4.681 1.00 20.80 C ATOM 37 CG ARG A 5 -4.793 22.963 5.298 1.00 21.54 C ATOM 38 CD ARG A 5 -4.472 24.186 4.444 1.00 21.78 C ATOM 39 NE ARG A 5 -5.061 24.113 3.107 1.00 22.93 N ATOM 40 CZ ARG A 5 -6.339 24.372 2.836 1.00 23.33 C ATOM 41 NH1 ARG A 5 -7.169 24.724 3.809 1.00 23.19 N ATOM 42 NH2 ARG A 5 -6.789 24.283 1.590 1.00 23.53 N ATOM 43 N CYS A 6 -6.442 19.820 4.907 1.00 20.13 N ATOM 44 CA CYS A 6 -7.844 19.486 5.143 1.00 19.94 C ATOM 45 C CYS A 6 -8.016 18.169 5.890 1.00 19.66 C ATOM 46 O CYS A 6 -8.952 18.010 6.671 1.00 19.83 O ATOM 47 CB CYS A 6 -8.603 19.426 3.815 1.00 20.46 C ATOM 48 SG CYS A 6 -8.687 21.114 3.031 1.00 22.02 S ATOM 49 N GLU A 7 -7.122 17.217 5.646 1.00 19.17 N ATOM 50 CA GLU A 7 -7.202 15.929 6.321 1.00 18.82 C ATOM 51 C GLU A 7 -7.054 16.119 7.831 1.00 18.25 C ATOM 52 O GLU A 7 -7.750 15.482 8.623 1.00 17.65 O ATOM 53 CB GLU A 7 -6.108 14.994 5.807 1.00 19.21 C ATOM 54 CG GLU A 7 -6.017 13.671 6.551 1.00 20.63 C ATOM 55 CD GLU A 7 -4.907 12.785 6.019 1.00 21.37 C ATOM 56 OE1 GLU A 7 -3.883 13.335 5.556 1.00 22.22 O ATOM 57 OE2 GLU A 7 -5.049 11.545 6.076 1.00 22.33 O ATOM 58 N LEU A 8 -6.148 17.007 8.226 1.00 17.77 N ATOM 59 CA LEU A 8 -5.925 17.267 9.641 1.00 17.55 C ATOM 60 C LEU A 8 -7.090 18.042 10.246 1.00 17.68 C ATOM 61 O LEU A 8 -7.526 17.754 11.360 1.00 17.69 O ATOM 62 CB LEU A 8 -4.626 18.052 9.838 1.00 17.81 C ATOM 63 CG LEU A 8 -4.288 18.368 11.294 1.00 17.35 C ATOM 64 CD1 LEU A 8 -4.180 17.081 12.097 1.00 17.72 C ATOM 65 CD2 LEU A 8 -2.994 19.147 11.341 1.00 17.65 C ATOM 66 N ALA A 9 -7.595 19.027 9.510 1.00 17.55 N ATOM 67 CA ALA A 9 -8.713 19.820 9.997 1.00 17.68 C ATOM 68 C ALA A 9 -9.891 18.899 10.321 1.00 17.78 C ATOM 69 O ALA A 9 -10.541 19.047 11.353 1.00 17.64 O ATOM 70 CB ALA A 9 -9.118 20.857 8.946 1.00 17.74 C ATOM 71 N ALA A 10 -10.153 17.938 9.441 1.00 17.92 N ATOM 72 CA ALA A 10 -11.259 17.006 9.645 1.00 17.97 C ATOM 73 C ALA A 10 -10.998 16.128 10.860 1.00 17.94 C ATOM 74 O ALA A 10 -11.892 15.884 11.666 1.00 17.99 O ATOM 75 CB ALA A 10 -11.452 16.146 8.411 1.00 17.82 C ATOM 76 N ALA A 11 -9.769 15.650 10.993 1.00 18.04 N ATOM 77 CA ALA A 11 -9.426 14.808 12.126 1.00 18.14 C ATOM 78 C ALA A 11 -9.585 15.573 13.440 1.00 18.51 C ATOM 79 O ALA A 11 -10.115 15.038 14.411 1.00 18.38 O ATOM 80 CB ALA A 11 -8.001 14.295 11.982 1.00 18.52 C ATOM 81 N MET A 12 -9.130 16.825 13.471 1.00 18.81 N ATOM 82 CA MET A 12 -9.241 17.631 14.684 1.00 19.25 C ATOM 83 C MET A 12 -10.702 17.925 15.020 1.00 19.93 C ATOM 84 O MET A 12 -11.105 17.853 16.185 1.00 19.60 O ATOM 85 CB MET A 12 -8.458 18.943 14.527 1.00 18.87 C ATOM 86 CG MET A 12 -6.948 18.736 14.437 1.00 18.65 C ATOM 87 SD MET A 12 -5.974 20.253 14.263 1.00 18.33 S ATOM 88 CE MET A 12 -4.661 19.934 15.437 1.00 17.87 C ATOM 89 N LYS A 13 -11.488 18.248 13.994 1.00 20.77 N ATOM 90 CA LYS A 13 -12.904 18.550 14.174 1.00 22.46 C ATOM 91 C LYS A 13 -13.605 17.352 14.798 1.00 22.86 C ATOM 92 O LYS A 13 -14.385 17.494 15.736 1.00 23.10 O ATOM 93 CB LYS A 13 -13.559 18.882 12.825 1.00 22.91 C ATOM 94 CG LYS A 13 -15.032 19.290 12.927 1.00 24.44 C ATOM 95 CD LYS A 13 -15.649 19.480 11.548 1.00 25.15 C ATOM 96 CE LYS A 13 -17.123 19.870 11.619 1.00 25.72 C ATOM 97 NZ LYS A 13 -17.316 21.278 12.063 1.00 27.26 N ATOM 98 N ARG A 14 -13.311 16.170 14.268 1.00 23.72 N ATOM 99 CA ARG A 14 -13.896 14.926 14.754 1.00 24.27 C ATOM 100 C ARG A 14 -13.537 14.668 16.219 1.00 24.26 C ATOM 101 O ARG A 14 -14.304 14.046 16.951 1.00 23.92 O ATOM 102 CB ARG A 14 -13.410 13.759 13.888 1.00 25.06 C ATOM 103 CG ARG A 14 -13.843 12.392 14.379 1.00 26.91 C ATOM 104 CD ARG A 14 -12.953 11.306 13.794 1.00 28.05 C ATOM 105 NE ARG A 14 -13.083 10.055 14.536 1.00 29.65 N ATOM 106 CZ ARG A 14 -12.141 9.120 14.594 1.00 29.99 C ATOM 107 NH1 ARG A 14 -10.994 9.290 13.952 1.00 30.52 N ATOM 108 NH2 ARG A 14 -12.341 8.017 15.301 1.00 30.79 N ATOM 109 N HIS A 15 -12.367 15.141 16.644 1.00 24.39 N ATOM 110 CA HIS A 15 -11.943 14.943 18.026 1.00 24.46 C ATOM 111 C HIS A 15 -12.375 16.059 18.964 1.00 24.41 C ATOM 112 O HIS A 15 -11.920 16.124 20.106 1.00 24.52 O ATOM 113 CB HIS A 15 -10.428 14.756 18.108 1.00 24.72 C ATOM 114 CG HIS A 15 -9.970 13.387 17.720 1.00 25.37 C ATOM 115 ND1 HIS A 15 -9.872 12.979 16.402 1.00 25.88 N ATOM 116 CD2 HIS A 15 -9.594 12.324 18.463 1.00 25.73 C ATOM 117 CE1 HIS A 15 -9.454 11.729 16.358 1.00 25.68 C ATOM 118 NE2 HIS A 15 -9.277 11.307 17.605 1.00 25.99 N ATOM 119 N GLY A 16 -13.244 16.940 18.475 1.00 24.31 N ATOM 120 CA GLY A 16 -13.761 18.018 19.300 1.00 24.23 C ATOM 121 C GLY A 16 -12.942 19.276 19.530 1.00 24.29 C ATOM 122 O GLY A 16 -13.230 20.018 20.469 1.00 24.38 O ATOM 123 N LEU A 17 -11.940 19.541 18.696 1.00 24.24 N ATOM 124 CA LEU A 17 -11.132 20.746 18.872 1.00 24.12 C ATOM 125 C LEU A 17 -11.754 22.016 18.302 1.00 24.44 C ATOM 126 O LEU A 17 -11.388 23.118 18.712 1.00 24.32 O ATOM 127 CB LEU A 17 -9.736 20.563 18.268 1.00 23.44 C ATOM 128 CG LEU A 17 -8.739 19.747 19.088 1.00 23.25 C ATOM 129 CD1 LEU A 17 -7.406 19.701 18.345 1.00 23.13 C ATOM 130 CD2 LEU A 17 -8.562 20.367 20.465 1.00 22.83 C ATOM 131 N ASP A 18 -12.684 21.886 17.360 1.00 24.86 N ATOM 132 CA ASP A 18 -13.303 23.080 16.792 1.00 25.29 C ATOM 133 C ASP A 18 -14.063 23.834 17.873 1.00 25.11 C ATOM 134 O ASP A 18 -15.012 23.311 18.453 1.00 24.77 O ATOM 135 CB ASP A 18 -14.246 22.722 15.644 1.00 26.56 C ATOM 136 CG ASP A 18 -14.888 23.948 15.018 1.00 27.90 C ATOM 137 OD1 ASP A 18 -14.187 24.977 14.847 1.00 28.52 O ATOM 138 OD2 ASP A 18 -16.092 23.880 14.688 1.00 28.80 O ATOM 139 N ASN A 19 -13.620 25.060 18.141 1.00 24.65 N ATOM 140 CA ASN A 19 -14.215 25.923 19.155 1.00 24.70 C ATOM 141 C ASN A 19 -13.931 25.494 20.589 1.00 23.95 C ATOM 142 O ASN A 19 -14.550 26.006 21.521 1.00 23.69 O ATOM 143 CB ASN A 19 -15.726 26.039 18.949 1.00 25.83 C ATOM 144 CG ASN A 19 -16.078 26.757 17.672 1.00 26.97 C ATOM 145 OD1 ASN A 19 -15.610 27.866 17.427 1.00 28.42 O ATOM 146 ND2 ASN A 19 -16.906 26.132 16.845 1.00 28.00 N ATOM 147 N TYR A 20 -12.998 24.563 20.774 1.00 23.35 N ATOM 148 CA TYR A 20 -12.661 24.115 22.122 1.00 22.54 C ATOM 149 C TYR A 20 -12.057 25.287 22.893 1.00 22.42 C ATOM 150 O TYR A 20 -11.009 25.815 22.514 1.00 21.92 O ATOM 151 CB TYR A 20 -11.654 22.965 22.087 1.00 22.66 C ATOM 152 CG TYR A 20 -11.488 22.297 23.432 1.00 22.98 C ATOM 153 CD1 TYR A 20 -12.457 21.417 23.912 1.00 23.14 C ATOM 154 CD2 TYR A 20 -10.403 22.599 24.257 1.00 23.31 C ATOM 155 CE1 TYR A 20 -12.356 20.850 25.175 1.00 23.72 C ATOM 156 CE2 TYR A 20 -10.289 22.035 25.529 1.00 23.50 C ATOM 157 CZ TYR A 20 -11.276 21.170 25.982 1.00 23.66 C ATOM 158 OH TYR A 20 -11.209 20.641 27.246 1.00 24.55 O ATOM 159 N ARG A 21 -12.724 25.689 23.972 1.00 21.99 N ATOM 160 CA ARG A 21 -12.269 26.810 24.794 1.00 22.02 C ATOM 161 C ARG A 21 -12.268 28.103 23.995 1.00 20.95 C ATOM 162 O ARG A 21 -11.476 29.006 24.255 1.00 20.97 O ATOM 163 CB ARG A 21 -10.860 26.551 25.339 1.00 23.45 C ATOM 164 CG ARG A 21 -10.775 25.482 26.410 1.00 25.91 C ATOM 165 CD ARG A 21 -11.366 25.946 27.731 1.00 28.00 C ATOM 166 NE ARG A 21 -11.185 24.939 28.775 1.00 30.14 N ATOM 167 CZ ARG A 21 -11.669 25.041 30.010 1.00 31.05 C ATOM 168 NH1 ARG A 21 -12.374 26.109 30.365 1.00 31.92 N ATOM 169 NH2 ARG A 21 -11.459 24.067 30.888 1.00 31.57 N ATOM 170 N GLY A 22 -13.148 28.184 23.005 1.00 20.04 N ATOM 171 CA GLY A 22 -13.238 29.393 22.209 1.00 18.72 C ATOM 172 C GLY A 22 -12.268 29.522 21.052 1.00 17.82 C ATOM 173 O GLY A 22 -12.239 30.560 20.394 1.00 18.30 O ATOM 174 N TYR A 23 -11.475 28.487 20.793 1.00 16.82 N ATOM 175 CA TYR A 23 -10.514 28.526 19.690 1.00 15.93 C ATOM 176 C TYR A 23 -11.044 27.791 18.475 1.00 15.81 C ATOM 177 O TYR A 23 -11.196 26.570 18.503 1.00 15.52 O ATOM 178 CB TYR A 23 -9.184 27.903 20.118 1.00 15.36 C ATOM 179 CG TYR A 23 -8.449 28.732 21.134 1.00 14.74 C ATOM 180 CD1 TYR A 23 -7.678 29.826 20.743 1.00 14.66 C ATOM 181 CD2 TYR A 23 -8.572 28.463 22.495 1.00 14.59 C ATOM 182 CE1 TYR A 23 -7.038 30.627 21.685 1.00 14.37 C ATOM 183 CE2 TYR A 23 -7.939 29.258 23.441 1.00 14.15 C ATOM 184 CZ TYR A 23 -7.180 30.343 23.032 1.00 14.07 C ATOM 185 OH TYR A 23 -6.556 31.139 23.971 1.00 14.09 O ATOM 186 N SER A 24 -11.320 28.543 17.412 1.00 15.38 N ATOM 187 CA SER A 24 -11.838 27.974 16.167 1.00 15.53 C ATOM 188 C SER A 24 -10.830 27.018 15.535 1.00 15.33 C ATOM 189 O SER A 24 -9.621 27.135 15.747 1.00 15.20 O ATOM 190 CB SER A 24 -12.153 29.087 15.175 1.00 15.60 C ATOM 191 OG SER A 24 -10.961 29.737 14.770 1.00 16.03 O ATOM 192 N LEU A 25 -11.340 26.090 14.736 1.00 15.14 N ATOM 193 CA LEU A 25 -10.514 25.089 14.075 1.00 14.95 C ATOM 194 C LEU A 25 -9.290 25.671 13.375 1.00 14.69 C ATOM 195 O LEU A 25 -8.196 25.107 13.455 1.00 14.60 O ATOM 196 CB LEU A 25 -11.366 24.309 13.073 1.00 15.58 C ATOM 197 CG LEU A 25 -10.803 22.995 12.539 1.00 15.68 C ATOM 198 CD1 LEU A 25 -10.568 22.009 13.683 1.00 16.36 C ATOM 199 CD2 LEU A 25 -11.792 22.417 11.542 1.00 16.41 C ATOM 200 N GLY A 26 -9.471 26.793 12.688 1.00 14.46 N ATOM 201 CA GLY A 26 -8.354 27.414 11.996 1.00 14.28 C ATOM 202 C GLY A 26 -7.134 27.616 12.883 1.00 14.29 C ATOM 203 O GLY A 26 -6.000 27.465 12.422 1.00 14.34 O ATOM 204 N ASN A 27 -7.360 27.954 14.151 1.00 13.50 N ATOM 205 CA ASN A 27 -6.269 28.181 15.100 1.00 13.62 C ATOM 206 C ASN A 27 -5.423 26.930 15.347 1.00 13.26 C ATOM 207 O ASN A 27 -4.193 27.003 15.380 1.00 13.25 O ATOM 208 CB ASN A 27 -6.828 28.677 16.438 1.00 13.74 C ATOM 209 CG ASN A 27 -7.276 30.126 16.383 1.00 14.32 C ATOM 210 OD1 ASN A 27 -6.453 31.042 16.439 1.00 14.59 O ATOM 211 ND2 ASN A 27 -8.586 30.341 16.266 1.00 14.26 N ATOM 212 N TRP A 28 -6.084 25.789 15.526 1.00 12.98 N ATOM 213 CA TRP A 28 -5.383 24.531 15.786 1.00 12.68 C ATOM 214 C TRP A 28 -4.605 24.028 14.583 1.00 12.46 C ATOM 215 O TRP A 28 -3.525 23.454 14.734 1.00 12.40 O ATOM 216 CB TRP A 28 -6.362 23.439 16.221 1.00 13.39 C ATOM 217 CG TRP A 28 -7.097 23.760 17.477 1.00 14.00 C ATOM 218 CD1 TRP A 28 -8.370 24.248 17.583 1.00 14.20 C ATOM 219 CD2 TRP A 28 -6.594 23.652 18.814 1.00 14.30 C ATOM 220 NE1 TRP A 28 -8.687 24.453 18.909 1.00 13.76 N ATOM 221 CE2 TRP A 28 -7.615 24.096 19.680 1.00 14.31 C ATOM 222 CE3 TRP A 28 -5.372 23.223 19.358 1.00 14.78 C ATOM 223 CZ2 TRP A 28 -7.452 24.122 21.070 1.00 14.73 C ATOM 224 CZ3 TRP A 28 -5.213 23.253 20.738 1.00 14.77 C ATOM 225 CH2 TRP A 28 -6.250 23.698 21.579 1.00 15.18 C ATOM 226 N VAL A 29 -5.156 24.217 13.390 1.00 12.02 N ATOM 227 CA VAL A 29 -4.473 23.760 12.185 1.00 11.84 C ATOM 228 C VAL A 29 -3.259 24.636 11.941 1.00 11.77 C ATOM 229 O VAL A 29 -2.196 24.152 11.559 1.00 11.76 O ATOM 230 CB VAL A 29 -5.419 23.799 10.963 1.00 12.33 C ATOM 231 CG1 VAL A 29 -4.651 23.500 9.677 1.00 12.63 C ATOM 232 CG2 VAL A 29 -6.522 22.773 11.159 1.00 11.69 C ATOM 233 N CYS A 30 -3.411 25.932 12.188 1.00 11.49 N ATOM 234 CA CYS A 30 -2.308 26.869 12.009 1.00 11.90 C ATOM 235 C CYS A 30 -1.173 26.533 12.982 1.00 11.85 C ATOM 236 O CYS A 30 0.005 26.599 12.631 1.00 11.80 O ATOM 237 CB CYS A 30 -2.791 28.307 12.250 1.00 12.11 C ATOM 238 SG CYS A 30 -1.502 29.575 12.002 1.00 13.57 S ATOM 239 N ALA A 31 -1.539 26.167 14.204 1.00 12.22 N ATOM 240 CA ALA A 31 -0.552 25.831 15.222 1.00 12.95 C ATOM 241 C ALA A 31 0.212 24.579 14.821 1.00 13.44 C ATOM 242 O ALA A 31 1.430 24.510 14.985 1.00 13.79 O ATOM 243 CB ALA A 31 -1.232 25.626 16.570 1.00 13.40 C ATOM 244 N ALA A 32 -0.501 23.593 14.286 1.00 13.32 N ATOM 245 CA ALA A 32 0.136 22.353 13.869 1.00 13.80 C ATOM 246 C ALA A 32 1.071 22.582 12.688 1.00 14.27 C ATOM 247 O ALA A 32 2.152 22.002 12.633 1.00 14.32 O ATOM 248 CB ALA A 32 -0.918 21.311 13.507 1.00 13.71 C ATOM 249 N LYS A 33 0.659 23.431 11.748 1.00 14.08 N ATOM 250 CA LYS A 33 1.480 23.709 10.579 1.00 15.04 C ATOM 251 C LYS A 33 2.856 24.222 10.983 1.00 15.12 C ATOM 252 O LYS A 33 3.879 23.661 10.588 1.00 15.71 O ATOM 253 CB LYS A 33 0.795 24.741 9.675 1.00 15.84 C ATOM 254 CG LYS A 33 1.658 25.215 8.503 1.00 17.40 C ATOM 255 CD LYS A 33 1.996 24.072 7.553 1.00 18.79 C ATOM 256 CE LYS A 33 2.833 24.558 6.375 1.00 20.39 C ATOM 257 NZ LYS A 33 3.191 23.437 5.459 1.00 22.00 N ATOM 258 N PHE A 34 2.877 25.271 11.797 1.00 14.89 N ATOM 259 CA PHE A 34 4.132 25.867 12.221 1.00 14.94 C ATOM 260 C PHE A 34 4.881 25.186 13.356 1.00 15.32 C ATOM 261 O PHE A 34 6.070 25.430 13.537 1.00 15.86 O ATOM 262 CB PHE A 34 3.904 27.341 12.532 1.00 14.76 C ATOM 263 CG PHE A 34 3.454 28.127 11.337 1.00 14.54 C ATOM 264 CD1 PHE A 34 4.214 28.119 10.170 1.00 14.37 C ATOM 265 CD2 PHE A 34 2.264 28.842 11.358 1.00 14.40 C ATOM 266 CE1 PHE A 34 3.793 28.814 9.043 1.00 14.76 C ATOM 267 CE2 PHE A 34 1.835 29.543 10.234 1.00 14.96 C ATOM 268 CZ PHE A 34 2.600 29.524 9.072 1.00 14.93 C ATOM 269 N GLU A 35 4.204 24.337 14.121 1.00 15.17 N ATOM 270 CA GLU A 35 4.889 23.631 15.197 1.00 15.12 C ATOM 271 C GLU A 35 5.601 22.392 14.645 1.00 15.30 C ATOM 272 O GLU A 35 6.731 22.098 15.025 1.00 15.17 O ATOM 273 CB GLU A 35 3.898 23.187 16.284 1.00 15.23 C ATOM 274 CG GLU A 35 3.379 24.286 17.226 1.00 15.46 C ATOM 275 CD GLU A 35 4.466 24.874 18.115 1.00 16.29 C ATOM 276 OE1 GLU A 35 5.531 24.235 18.251 1.00 16.26 O ATOM 277 OE2 GLU A 35 4.251 25.970 18.685 1.00 16.60 O ATOM 278 N SER A 36 4.953 21.683 13.726 1.00 15.36 N ATOM 279 CA SER A 36 5.526 20.447 13.196 1.00 15.85 C ATOM 280 C SER A 36 5.420 20.234 11.687 1.00 15.87 C ATOM 281 O SER A 36 5.846 19.195 11.176 1.00 15.65 O ATOM 282 CB SER A 36 4.840 19.274 13.872 1.00 16.02 C ATOM 283 OG SER A 36 3.474 19.258 13.487 1.00 16.39 O ATOM 284 N ASN A 37 4.849 21.201 10.983 1.00 15.93 N ATOM 285 CA ASN A 37 4.651 21.091 9.544 1.00 16.45 C ATOM 286 C ASN A 37 3.767 19.876 9.263 1.00 16.02 C ATOM 287 O ASN A 37 3.971 19.144 8.294 1.00 15.76 O ATOM 288 CB ASN A 37 5.992 20.957 8.821 1.00 18.05 C ATOM 289 CG ASN A 37 5.872 21.203 7.331 1.00 19.68 C ATOM 290 OD1 ASN A 37 5.219 22.156 6.901 1.00 21.08 O ATOM 291 ND2 ASN A 37 6.509 20.354 6.534 1.00 21.11 N ATOM 292 N PHE A 38 2.781 19.675 10.129 1.00 15.25 N ATOM 293 CA PHE A 38 1.832 18.573 10.012 1.00 15.12 C ATOM 294 C PHE A 38 2.457 17.185 10.122 1.00 14.92 C ATOM 295 O PHE A 38 1.860 16.217 9.663 1.00 14.91 O ATOM 296 CB PHE A 38 1.071 18.656 8.684 1.00 15.22 C ATOM 297 CG PHE A 38 0.281 19.922 8.507 1.00 15.04 C ATOM 298 CD1 PHE A 38 -0.366 20.512 9.587 1.00 15.28 C ATOM 299 CD2 PHE A 38 0.135 20.490 7.242 1.00 15.36 C ATOM 300 CE1 PHE A 38 -1.145 21.660 9.415 1.00 15.62 C ATOM 301 CE2 PHE A 38 -0.644 21.640 7.057 1.00 15.92 C ATOM 302 CZ PHE A 38 -1.288 22.219 8.144 1.00 15.39 C ATOM 303 N ASN A 39 3.640 17.082 10.725 1.00 14.39 N ATOM 304 CA ASN A 39 4.315 15.785 10.862 1.00 14.33 C ATOM 305 C ASN A 39 4.186 15.231 12.286 1.00 13.97 C ATOM 306 O ASN A 39 4.717 15.809 13.234 1.00 13.59 O ATOM 307 CB ASN A 39 5.797 15.928 10.489 1.00 14.52 C ATOM 308 CG ASN A 39 6.539 14.605 10.515 1.00 14.86 C ATOM 309 OD1 ASN A 39 5.943 13.545 10.716 1.00 14.82 O ATOM 310 ND2 ASN A 39 7.852 14.660 10.304 1.00 15.10 N ATOM 311 N THR A 40 3.482 14.107 12.429 1.00 13.65 N ATOM 312 CA THR A 40 3.279 13.501 13.742 1.00 13.65 C ATOM 313 C THR A 40 4.562 13.000 14.402 1.00 13.98 C ATOM 314 O THR A 40 4.600 12.808 15.616 1.00 14.09 O ATOM 315 CB THR A 40 2.329 12.280 13.688 1.00 13.62 C ATOM 316 OG1 THR A 40 2.927 11.253 12.886 1.00 13.09 O ATOM 317 CG2 THR A 40 0.964 12.660 13.122 1.00 13.08 C ATOM 318 N GLN A 41 5.604 12.773 13.610 1.00 14.46 N ATOM 319 CA GLN A 41 6.856 12.258 14.160 1.00 14.90 C ATOM 320 C GLN A 41 7.872 13.336 14.525 1.00 15.08 C ATOM 321 O GLN A 41 9.012 13.032 14.879 1.00 15.25 O ATOM 322 CB GLN A 41 7.496 11.284 13.173 1.00 15.27 C ATOM 323 CG GLN A 41 6.646 10.072 12.847 1.00 15.97 C ATOM 324 CD GLN A 41 7.455 8.984 12.181 1.00 16.43 C ATOM 325 OE1 GLN A 41 8.330 8.384 12.804 1.00 17.00 O ATOM 326 NE2 GLN A 41 7.182 8.733 10.905 1.00 16.37 N ATOM 327 N ALA A 42 7.459 14.593 14.463 1.00 15.06 N ATOM 328 CA ALA A 42 8.372 15.684 14.776 1.00 15.31 C ATOM 329 C ALA A 42 8.816 15.731 16.241 1.00 15.30 C ATOM 330 O ALA A 42 8.010 15.564 17.156 1.00 14.82 O ATOM 331 CB ALA A 42 7.734 17.016 14.387 1.00 15.24 C ATOM 332 N THR A 43 10.114 15.945 16.443 1.00 15.66 N ATOM 333 CA THR A 43 10.688 16.071 17.776 1.00 16.36 C ATOM 334 C THR A 43 11.724 17.189 17.749 1.00 17.27 C ATOM 335 O THR A 43 12.363 17.434 16.723 1.00 17.45 O ATOM 336 CB THR A 43 11.392 14.775 18.258 1.00 16.04 C ATOM 337 OG1 THR A 43 12.461 14.437 17.362 1.00 15.84 O ATOM 338 CG2 THR A 43 10.399 13.623 18.341 1.00 15.82 C ATOM 339 N ASN A 44 11.879 17.872 18.876 1.00 18.44 N ATOM 340 CA ASN A 44 12.859 18.949 18.994 1.00 20.01 C ATOM 341 C ASN A 44 13.291 19.081 20.446 1.00 20.40 C ATOM 342 O ASN A 44 12.450 19.282 21.321 1.00 19.60 O ATOM 343 CB ASN A 44 12.270 20.281 18.518 1.00 21.27 C ATOM 344 CG ASN A 44 12.049 20.323 17.014 1.00 22.96 C ATOM 345 OD1 ASN A 44 10.985 19.947 16.518 1.00 24.36 O ATOM 346 ND2 ASN A 44 13.060 20.776 16.281 1.00 23.52 N ATOM 347 N ARG A 45 14.594 18.966 20.701 1.00 21.49 N ATOM 348 CA ARG A 45 15.106 19.071 22.067 1.00 22.73 C ATOM 349 C ARG A 45 15.361 20.543 22.393 1.00 22.93 C ATOM 350 O ARG A 45 15.793 21.317 21.530 1.00 22.50 O ATOM 351 CB ARG A 45 16.405 18.264 22.227 1.00 24.40 C ATOM 352 CG ARG A 45 16.642 17.688 23.643 1.00 26.91 C ATOM 353 CD ARG A 45 18.053 17.106 23.767 1.00 29.42 C ATOM 354 NE ARG A 45 18.121 15.848 24.519 1.00 31.54 N ATOM 355 CZ ARG A 45 17.873 15.718 25.820 1.00 32.10 C ATOM 356 NH1 ARG A 45 17.538 16.772 26.547 1.00 33.25 N ATOM 357 NH2 ARG A 45 17.963 14.526 26.396 1.00 33.03 N ATOM 358 N ASN A 46 15.082 20.921 23.638 1.00 22.93 N ATOM 359 CA ASN A 46 15.264 22.297 24.093 1.00 23.48 C ATOM 360 C ASN A 46 16.526 22.421 24.944 1.00 23.56 C ATOM 361 O ASN A 46 17.090 21.416 25.373 1.00 23.33 O ATOM 362 CB ASN A 46 14.037 22.738 24.899 1.00 23.91 C ATOM 363 CG ASN A 46 12.735 22.527 24.138 1.00 24.17 C ATOM 364 OD1 ASN A 46 11.832 21.825 24.599 1.00 24.93 O ATOM 365 ND2 ASN A 46 12.639 23.133 22.963 1.00 24.29 N ATOM 366 N THR A 47 16.963 23.652 25.191 1.00 24.17 N ATOM 367 CA THR A 47 18.175 23.883 25.976 1.00 24.61 C ATOM 368 C THR A 47 18.079 23.370 27.405 1.00 24.38 C ATOM 369 O THR A 47 19.088 22.995 27.996 1.00 24.52 O ATOM 370 CB THR A 47 18.541 25.385 26.029 1.00 25.16 C ATOM 371 OG1 THR A 47 17.492 26.117 26.672 1.00 26.09 O ATOM 372 CG2 THR A 47 18.747 25.930 24.628 1.00 25.28 C ATOM 373 N ASP A 48 16.869 23.345 27.958 1.00 24.10 N ATOM 374 CA ASP A 48 16.682 22.883 29.328 1.00 23.87 C ATOM 375 C ASP A 48 16.669 21.358 29.455 1.00 23.21 C ATOM 376 O ASP A 48 16.427 20.824 30.534 1.00 23.44 O ATOM 377 CB ASP A 48 15.393 23.478 29.915 1.00 24.26 C ATOM 378 CG ASP A 48 14.138 22.775 29.425 1.00 25.19 C ATOM 379 OD1 ASP A 48 14.174 22.150 28.343 1.00 24.86 O ATOM 380 OD2 ASP A 48 13.104 22.861 30.124 1.00 25.64 O ATOM 381 N GLY A 49 16.933 20.659 28.354 1.00 22.47 N ATOM 382 CA GLY A 49 16.953 19.205 28.396 1.00 21.26 C ATOM 383 C GLY A 49 15.630 18.532 28.072 1.00 20.64 C ATOM 384 O GLY A 49 15.581 17.309 27.897 1.00 20.91 O ATOM 385 N SER A 50 14.554 19.315 28.001 1.00 19.15 N ATOM 386 CA SER A 50 13.238 18.770 27.683 1.00 17.92 C ATOM 387 C SER A 50 13.114 18.615 26.165 1.00 16.87 C ATOM 388 O SER A 50 13.918 19.157 25.408 1.00 16.53 O ATOM 389 CB SER A 50 12.125 19.689 28.209 1.00 17.85 C ATOM 390 OG SER A 50 12.112 20.930 27.523 1.00 18.19 O ATOM 391 N THR A 51 12.107 17.870 25.725 1.00 15.88 N ATOM 392 CA THR A 51 11.907 17.640 24.298 1.00 15.19 C ATOM 393 C THR A 51 10.437 17.843 23.925 1.00 14.81 C ATOM 394 O THR A 51 9.547 17.516 24.710 1.00 14.85 O ATOM 395 CB THR A 51 12.350 16.197 23.920 1.00 15.25 C ATOM 396 OG1 THR A 51 13.748 16.032 24.204 1.00 14.73 O ATOM 397 CG2 THR A 51 12.111 15.923 22.446 1.00 14.37 C ATOM 398 N ASP A 52 10.188 18.404 22.742 1.00 14.56 N ATOM 399 CA ASP A 52 8.818 18.627 22.266 1.00 14.68 C ATOM 400 C ASP A 52 8.449 17.481 21.324 1.00 14.34 C ATOM 401 O ASP A 52 9.249 17.103 20.473 1.00 14.54 O ATOM 402 CB ASP A 52 8.718 19.966 21.535 1.00 15.22 C ATOM 403 CG ASP A 52 9.027 21.145 22.439 1.00 16.16 C ATOM 404 OD1 ASP A 52 8.770 21.047 23.653 1.00 16.84 O ATOM 405 OD2 ASP A 52 9.509 22.176 21.936 1.00 17.24 O ATOM 406 N TYR A 53 7.239 16.941 21.470 1.00 14.16 N ATOM 407 CA TYR A 53 6.809 15.800 20.661 1.00 13.91 C ATOM 408 C TYR A 53 5.514 15.928 19.870 1.00 14.19 C ATOM 409 O TYR A 53 4.528 16.495 20.340 1.00 13.87 O ATOM 410 CB TYR A 53 6.650 14.553 21.547 1.00 13.88 C ATOM 411 CG TYR A 53 7.890 14.112 22.282 1.00 13.53 C ATOM 412 CD1 TYR A 53 8.357 14.819 23.390 1.00 13.39 C ATOM 413 CD2 TYR A 53 8.613 12.993 21.858 1.00 13.21 C ATOM 414 CE1 TYR A 53 9.512 14.428 24.057 1.00 13.02 C ATOM 415 CE2 TYR A 53 9.768 12.595 22.516 1.00 12.97 C ATOM 416 CZ TYR A 53 10.215 13.317 23.615 1.00 12.84 C ATOM 417 OH TYR A 53 11.369 12.943 24.263 1.00 13.01 O ATOM 418 N GLY A 54 5.526 15.370 18.664 1.00 14.07 N ATOM 419 CA GLY A 54 4.330 15.341 17.847 1.00 14.08 C ATOM 420 C GLY A 54 3.876 16.553 17.066 1.00 14.05 C ATOM 421 O GLY A 54 4.537 17.586 16.997 1.00 13.38 O ATOM 422 N ILE A 55 2.695 16.387 16.489 1.00 14.15 N ATOM 423 CA ILE A 55 2.046 17.382 15.664 1.00 14.77 C ATOM 424 C ILE A 55 1.872 18.733 16.365 1.00 14.30 C ATOM 425 O ILE A 55 1.922 19.779 15.715 1.00 14.97 O ATOM 426 CB ILE A 55 0.683 16.825 15.190 1.00 15.73 C ATOM 427 CG1 ILE A 55 0.130 17.686 14.060 1.00 17.11 C ATOM 428 CG2 ILE A 55 -0.270 16.731 16.368 1.00 15.48 C ATOM 429 CD1 ILE A 55 -1.109 17.111 13.420 1.00 18.62 C ATOM 430 N LEU A 56 1.672 18.714 17.684 1.00 14.20 N ATOM 431 CA LEU A 56 1.515 19.954 18.450 1.00 14.03 C ATOM 432 C LEU A 56 2.703 20.242 19.376 1.00 13.88 C ATOM 433 O LEU A 56 2.623 21.100 20.258 1.00 13.56 O ATOM 434 CB LEU A 56 0.202 19.935 19.249 1.00 14.15 C ATOM 435 CG LEU A 56 -1.062 20.084 18.391 1.00 14.29 C ATOM 436 CD1 LEU A 56 -2.317 19.901 19.236 1.00 14.96 C ATOM 437 CD2 LEU A 56 -1.061 21.457 17.739 1.00 14.69 C ATOM 438 N GLN A 57 3.804 19.525 19.163 1.00 13.52 N ATOM 439 CA GLN A 57 5.028 19.717 19.940 1.00 13.82 C ATOM 440 C GLN A 57 4.804 19.908 21.437 1.00 13.97 C ATOM 441 O GLN A 57 5.167 20.937 22.007 1.00 14.01 O ATOM 442 CB GLN A 57 5.808 20.913 19.382 1.00 13.50 C ATOM 443 CG GLN A 57 6.336 20.700 17.973 1.00 13.69 C ATOM 444 CD GLN A 57 7.498 19.723 17.923 1.00 14.38 C ATOM 445 OE1 GLN A 57 8.654 20.108 18.104 1.00 15.39 O ATOM 446 NE2 GLN A 57 7.196 18.447 17.690 1.00 14.32 N ATOM 447 N ILE A 58 4.213 18.903 22.066 1.00 14.23 N ATOM 448 CA ILE A 58 3.942 18.945 23.493 1.00 14.93 C ATOM 449 C ILE A 58 5.223 18.640 24.271 1.00 15.37 C ATOM 450 O ILE A 58 5.899 17.642 24.017 1.00 14.97 O ATOM 451 CB ILE A 58 2.821 17.956 23.842 1.00 15.24 C ATOM 452 CG1 ILE A 58 1.497 18.480 23.261 1.00 15.11 C ATOM 453 CG2 ILE A 58 2.741 17.758 25.349 1.00 15.72 C ATOM 454 CD1 ILE A 58 0.313 17.539 23.430 1.00 15.23 C ATOM 455 N ASN A 59 5.532 19.509 25.230 1.00 15.71 N ATOM 456 CA ASN A 59 6.752 19.425 26.032 1.00 16.89 C ATOM 457 C ASN A 59 6.811 18.362 27.139 1.00 17.19 C ATOM 458 O ASN A 59 5.843 18.153 27.872 1.00 17.04 O ATOM 459 CB ASN A 59 7.032 20.814 26.611 1.00 17.38 C ATOM 460 CG ASN A 59 8.390 20.914 27.251 1.00 18.34 C ATOM 461 OD1 ASN A 59 8.524 20.769 28.459 1.00 19.20 O ATOM 462 ND2 ASN A 59 9.411 21.152 26.441 1.00 18.88 N ATOM 463 N SER A 60 7.973 17.718 27.262 1.00 17.79 N ATOM 464 CA SER A 60 8.200 16.662 28.254 1.00 18.57 C ATOM 465 C SER A 60 8.415 17.160 29.686 1.00 19.44 C ATOM 466 O SER A 60 8.337 16.383 30.629 1.00 19.20 O ATOM 467 CB SER A 60 9.404 15.797 27.843 1.00 18.73 C ATOM 468 OG SER A 60 10.610 16.551 27.815 1.00 18.46 O ATOM 469 N ARG A 61 8.697 18.447 29.848 1.00 20.42 N ATOM 470 CA ARG A 61 8.913 19.011 31.181 1.00 22.30 C ATOM 471 C ARG A 61 7.660 18.898 32.048 1.00 22.35 C ATOM 472 O ARG A 61 7.747 18.643 33.253 1.00 22.68 O ATOM 473 CB ARG A 61 9.318 20.487 31.065 1.00 23.72 C ATOM 474 CG ARG A 61 9.441 21.237 32.387 1.00 26.35 C ATOM 475 CD ARG A 61 10.637 20.761 33.183 1.00 28.04 C ATOM 476 NE ARG A 61 11.889 21.016 32.475 1.00 29.93 N ATOM 477 CZ ARG A 61 13.064 20.510 32.834 1.00 30.53 C ATOM 478 NH1 ARG A 61 13.147 19.719 33.898 1.00 31.52 N ATOM 479 NH2 ARG A 61 14.151 20.782 32.126 1.00 31.13 N ATOM 480 N TRP A 62 6.491 19.065 31.432 1.00 22.16 N ATOM 481 CA TRP A 62 5.243 19.019 32.184 1.00 21.87 C ATOM 482 C TRP A 62 4.173 18.030 31.750 1.00 20.84 C ATOM 483 O TRP A 62 3.444 17.505 32.587 1.00 20.72 O ATOM 484 CB TRP A 62 4.564 20.396 32.179 1.00 23.38 C ATOM 485 CG TRP A 62 5.446 21.551 32.495 1.00 25.61 C ATOM 486 CD1 TRP A 62 6.190 22.282 31.613 1.00 26.01 C ATOM 487 CD2 TRP A 62 5.687 22.112 33.787 1.00 26.66 C ATOM 488 NE1 TRP A 62 6.878 23.269 32.280 1.00 26.88 N ATOM 489 CE2 TRP A 62 6.589 23.186 33.617 1.00 27.35 C ATOM 490 CE3 TRP A 62 5.227 21.812 35.078 1.00 27.87 C ATOM 491 CZ2 TRP A 62 7.043 23.964 34.690 1.00 28.00 C ATOM 492 CZ3 TRP A 62 5.675 22.584 36.145 1.00 28.50 C ATOM 493 CH2 TRP A 62 6.579 23.649 35.941 1.00 28.47 C ATOM 494 N TRP A 63 4.076 17.768 30.452 1.00 19.49 N ATOM 495 CA TRP A 63 2.986 16.943 29.947 1.00 18.57 C ATOM 496 C TRP A 63 3.115 15.460 29.641 1.00 17.83 C ATOM 497 O TRP A 63 2.108 14.760 29.626 1.00 17.79 O ATOM 498 CB TRP A 63 2.393 17.656 28.735 1.00 18.13 C ATOM 499 CG TRP A 63 2.250 19.125 28.977 1.00 18.18 C ATOM 500 CD1 TRP A 63 3.087 20.112 28.545 1.00 18.24 C ATOM 501 CD2 TRP A 63 1.227 19.775 29.743 1.00 18.06 C ATOM 502 NE1 TRP A 63 2.653 21.335 28.997 1.00 18.44 N ATOM 503 CE2 TRP A 63 1.513 21.156 29.736 1.00 18.10 C ATOM 504 CE3 TRP A 63 0.097 19.318 30.441 1.00 18.03 C ATOM 505 CZ2 TRP A 63 0.710 22.095 30.398 1.00 18.00 C ATOM 506 CZ3 TRP A 63 -0.703 20.256 31.103 1.00 17.57 C ATOM 507 CH2 TRP A 63 -0.391 21.628 31.069 1.00 17.40 C ATOM 508 N CYS A 64 4.318 14.973 29.375 1.00 17.46 N ATOM 509 CA CYS A 64 4.483 13.550 29.083 1.00 17.04 C ATOM 510 C CYS A 64 5.810 13.049 29.627 1.00 16.95 C ATOM 511 O CYS A 64 6.696 13.838 29.951 1.00 16.99 O ATOM 512 CB CYS A 64 4.404 13.290 27.572 1.00 16.58 C ATOM 513 SG CYS A 64 5.700 14.128 26.608 1.00 15.91 S ATOM 514 N ASN A 65 5.940 11.731 29.733 1.00 16.86 N ATOM 515 CA ASN A 65 7.163 11.140 30.246 1.00 16.99 C ATOM 516 C ASN A 65 8.018 10.530 29.146 1.00 16.65 C ATOM 517 O ASN A 65 7.543 9.687 28.392 1.00 16.23 O ATOM 518 CB ASN A 65 6.835 10.055 31.273 1.00 18.08 C ATOM 519 CG ASN A 65 8.083 9.382 31.819 1.00 19.37 C ATOM 520 OD1 ASN A 65 8.944 10.037 32.399 1.00 20.51 O ATOM 521 ND2 ASN A 65 8.188 8.072 31.623 1.00 20.72 N ATOM 522 N ASP A 66 9.276 10.956 29.051 1.00 16.30 N ATOM 523 CA ASP A 66 10.170 10.386 28.051 1.00 16.77 C ATOM 524 C ASP A 66 11.380 9.755 28.734 1.00 17.26 C ATOM 525 O ASP A 66 12.356 9.385 28.081 1.00 17.67 O ATOM 526 CB ASP A 66 10.616 11.432 27.016 1.00 16.10 C ATOM 527 CG ASP A 66 11.432 12.568 27.616 1.00 15.91 C ATOM 528 OD1 ASP A 66 11.751 12.534 28.821 1.00 15.19 O ATOM 529 OD2 ASP A 66 11.758 13.510 26.858 1.00 15.73 O ATOM 530 N GLY A 67 11.297 9.644 30.055 1.00 17.50 N ATOM 531 CA GLY A 67 12.356 9.032 30.838 1.00 18.29 C ATOM 532 C GLY A 67 13.702 9.724 30.890 1.00 18.89 C ATOM 533 O GLY A 67 14.652 9.167 31.450 1.00 19.06 O ATOM 534 N ARG A 68 13.810 10.924 30.324 1.00 19.14 N ATOM 535 CA ARG A 68 15.086 11.628 30.345 1.00 20.32 C ATOM 536 C ARG A 68 14.989 13.109 30.691 1.00 21.09 C ATOM 537 O ARG A 68 15.908 13.874 30.402 1.00 21.35 O ATOM 538 CB ARG A 68 15.798 11.473 28.998 1.00 20.14 C ATOM 539 CG ARG A 68 15.173 12.243 27.854 1.00 20.04 C ATOM 540 CD ARG A 68 16.043 12.124 26.613 1.00 20.35 C ATOM 541 NE ARG A 68 15.665 13.045 25.545 1.00 20.45 N ATOM 542 CZ ARG A 68 16.218 13.037 24.335 1.00 20.48 C ATOM 543 NH1 ARG A 68 17.166 12.150 24.052 1.00 20.41 N ATOM 544 NH2 ARG A 68 15.840 13.920 23.414 1.00 19.58 N ATOM 545 N THR A 69 13.885 13.518 31.306 1.00 22.20 N ATOM 546 CA THR A 69 13.710 14.918 31.684 1.00 23.41 C ATOM 547 C THR A 69 13.583 14.965 33.205 1.00 24.99 C ATOM 548 O THR A 69 12.481 15.017 33.747 1.00 25.65 O ATOM 549 CB THR A 69 12.438 15.527 31.028 1.00 22.90 C ATOM 550 OG1 THR A 69 12.438 15.238 29.625 1.00 21.20 O ATOM 551 CG2 THR A 69 12.413 17.044 31.210 1.00 22.11 C ATOM 552 N PRO A 70 14.722 14.933 33.914 1.00 26.56 N ATOM 553 CA PRO A 70 14.768 14.965 35.380 1.00 27.62 C ATOM 554 C PRO A 70 13.857 15.997 36.049 1.00 28.66 C ATOM 555 O PRO A 70 13.817 17.164 35.655 1.00 28.96 O ATOM 556 CB PRO A 70 16.244 15.225 35.668 1.00 27.54 C ATOM 557 CG PRO A 70 16.924 14.493 34.547 1.00 27.29 C ATOM 558 CD PRO A 70 16.085 14.892 33.348 1.00 26.85 C ATOM 559 N GLY A 71 13.128 15.554 37.069 1.00 29.43 N ATOM 560 CA GLY A 71 12.241 16.451 37.785 1.00 30.17 C ATOM 561 C GLY A 71 11.120 17.002 36.928 1.00 30.52 C ATOM 562 O GLY A 71 10.699 18.146 37.103 1.00 31.05 O ATOM 563 N SER A 72 10.630 16.191 35.998 1.00 30.51 N ATOM 564 CA SER A 72 9.545 16.618 35.130 1.00 30.33 C ATOM 565 C SER A 72 8.221 16.026 35.602 1.00 30.22 C ATOM 566 O SER A 72 8.187 15.095 36.409 1.00 29.84 O ATOM 567 CB SER A 72 9.806 16.178 33.694 1.00 30.51 C ATOM 568 OG SER A 72 9.762 14.769 33.597 1.00 30.97 O ATOM 569 N ARG A 73 7.132 16.584 35.089 1.00 29.77 N ATOM 570 CA ARG A 73 5.796 16.125 35.429 1.00 29.78 C ATOM 571 C ARG A 73 5.257 15.354 34.232 1.00 28.86 C ATOM 572 O ARG A 73 5.811 15.431 33.136 1.00 29.52 O ATOM 573 CB ARG A 73 4.888 17.323 35.709 1.00 30.77 C ATOM 574 CG ARG A 73 5.403 18.255 36.787 1.00 32.52 C ATOM 575 CD ARG A 73 4.884 17.859 38.156 1.00 33.99 C ATOM 576 NE ARG A 73 3.448 18.095 38.273 1.00 35.30 N ATOM 577 CZ ARG A 73 2.752 17.923 39.393 1.00 35.98 C ATOM 578 NH1 ARG A 73 3.363 17.510 40.496 1.00 36.27 N ATOM 579 NH2 ARG A 73 1.448 18.168 39.413 1.00 36.22 N ATOM 580 N ASN A 74 4.186 14.605 34.449 1.00 27.34 N ATOM 581 CA ASN A 74 3.554 13.837 33.386 1.00 25.87 C ATOM 582 C ASN A 74 2.061 14.084 33.556 1.00 24.92 C ATOM 583 O ASN A 74 1.282 13.162 33.783 1.00 24.51 O ATOM 584 CB ASN A 74 3.884 12.348 33.536 1.00 25.77 C ATOM 585 CG ASN A 74 3.232 11.493 32.462 1.00 25.40 C ATOM 586 OD1 ASN A 74 2.746 12.004 31.453 1.00 25.06 O ATOM 587 ND2 ASN A 74 3.227 10.181 32.674 1.00 25.80 N ATOM 588 N LEU A 75 1.682 15.354 33.445 1.00 24.24 N ATOM 589 CA LEU A 75 0.296 15.774 33.624 1.00 23.70 C ATOM 590 C LEU A 75 -0.713 15.129 32.693 1.00 22.82 C ATOM 591 O LEU A 75 -1.892 15.030 33.032 1.00 22.54 O ATOM 592 CB LEU A 75 0.200 17.298 33.531 1.00 24.20 C ATOM 593 CG LEU A 75 0.875 18.011 34.704 1.00 24.68 C ATOM 594 CD1 LEU A 75 0.724 19.507 34.550 1.00 25.27 C ATOM 595 CD2 LEU A 75 0.241 17.545 36.010 1.00 25.30 C ATOM 596 N CYS A 76 -0.267 14.692 31.519 1.00 21.78 N ATOM 597 CA CYS A 76 -1.181 14.044 30.591 1.00 20.79 C ATOM 598 C CYS A 76 -1.202 12.539 30.804 1.00 20.84 C ATOM 599 O CYS A 76 -1.992 11.829 30.187 1.00 20.65 O ATOM 600 CB CYS A 76 -0.822 14.394 29.145 1.00 19.88 C ATOM 601 SG CYS A 76 -1.417 16.061 28.702 1.00 18.25 S ATOM 602 N ASN A 77 -0.326 12.057 31.683 1.00 21.22 N ATOM 603 CA ASN A 77 -0.274 10.636 32.012 1.00 21.45 C ATOM 604 C ASN A 77 -0.054 9.736 30.811 1.00 20.77 C ATOM 605 O ASN A 77 -0.755 8.739 30.628 1.00 20.31 O ATOM 606 CB ASN A 77 -1.571 10.228 32.714 1.00 23.30 C ATOM 607 CG ASN A 77 -1.712 10.865 34.078 1.00 25.00 C ATOM 608 OD1 ASN A 77 -1.063 10.445 35.038 1.00 26.72 O ATOM 609 ND2 ASN A 77 -2.550 11.896 34.173 1.00 26.17 N ATOM 610 N ILE A 78 0.932 10.082 29.996 1.00 19.95 N ATOM 611 CA ILE A 78 1.228 9.293 28.816 1.00 19.22 C ATOM 612 C ILE A 78 2.697 9.349 28.462 1.00 18.52 C ATOM 613 O ILE A 78 3.389 10.320 28.768 1.00 17.67 O ATOM 614 CB ILE A 78 0.487 9.806 27.561 1.00 19.37 C ATOM 615 CG1 ILE A 78 0.774 11.299 27.380 1.00 19.59 C ATOM 616 CG2 ILE A 78 -0.990 9.487 27.646 1.00 20.22 C ATOM 617 CD1 ILE A 78 0.457 11.828 25.989 1.00 19.98 C ATOM 618 N PRO A 79 3.195 8.284 27.814 1.00 18.08 N ATOM 619 CA PRO A 79 4.607 8.290 27.422 1.00 17.21 C ATOM 620 C PRO A 79 4.660 9.259 26.246 1.00 16.53 C ATOM 621 O PRO A 79 3.747 9.282 25.414 1.00 16.14 O ATOM 622 CB PRO A 79 4.845 6.850 26.972 1.00 17.87 C ATOM 623 CG PRO A 79 3.800 6.067 27.724 1.00 18.38 C ATOM 624 CD PRO A 79 2.594 6.961 27.626 1.00 18.14 C ATOM 625 N CYS A 80 5.711 10.066 26.170 1.00 15.94 N ATOM 626 CA CYS A 80 5.820 11.026 25.079 1.00 15.23 C ATOM 627 C CYS A 80 5.738 10.368 23.700 1.00 15.18 C ATOM 628 O CYS A 80 5.197 10.953 22.762 1.00 14.77 O ATOM 629 CB CYS A 80 7.122 11.818 25.198 1.00 15.30 C ATOM 630 SG CYS A 80 7.267 12.834 26.703 1.00 15.05 S ATOM 631 N SER A 81 6.256 9.147 23.584 1.00 14.96 N ATOM 632 CA SER A 81 6.241 8.427 22.310 1.00 15.42 C ATOM 633 C SER A 81 4.824 8.260 21.773 1.00 16.14 C ATOM 634 O SER A 81 4.608 8.146 20.567 1.00 16.26 O ATOM 635 CB SER A 81 6.885 7.043 22.468 1.00 15.16 C ATOM 636 OG SER A 81 6.103 6.208 23.304 1.00 14.36 O ATOM 637 N ALA A 82 3.854 8.246 22.674 1.00 16.49 N ATOM 638 CA ALA A 82 2.469 8.085 22.270 1.00 17.46 C ATOM 639 C ALA A 82 1.989 9.285 21.456 1.00 17.83 C ATOM 640 O ALA A 82 0.986 9.201 20.753 1.00 18.46 O ATOM 641 CB ALA A 82 1.592 7.902 23.502 1.00 17.77 C ATOM 642 N LEU A 83 2.713 10.396 21.555 1.00 18.10 N ATOM 643 CA LEU A 83 2.364 11.628 20.847 1.00 18.33 C ATOM 644 C LEU A 83 2.875 11.685 19.408 1.00 18.26 C ATOM 645 O LEU A 83 2.606 12.649 18.686 1.00 18.13 O ATOM 646 CB LEU A 83 2.902 12.836 21.618 1.00 18.26 C ATOM 647 CG LEU A 83 2.364 13.046 23.038 1.00 18.61 C ATOM 648 CD1 LEU A 83 3.101 14.206 23.700 1.00 18.54 C ATOM 649 CD2 LEU A 83 0.863 13.318 22.986 1.00 18.62 C ATOM 650 N LEU A 84 3.599 10.652 18.989 1.00 18.33 N ATOM 651 CA LEU A 84 4.151 10.609 17.639 1.00 19.07 C ATOM 652 C LEU A 84 3.371 9.647 16.742 1.00 19.75 C ATOM 653 O LEU A 84 3.718 9.444 15.577 1.00 19.90 O ATOM 654 CB LEU A 84 5.625 10.186 17.693 1.00 19.03 C ATOM 655 CG LEU A 84 6.547 11.018 18.597 1.00 19.35 C ATOM 656 CD1 LEU A 84 7.931 10.399 18.639 1.00 19.31 C ATOM 657 CD2 LEU A 84 6.629 12.442 18.076 1.00 19.07 C ATOM 658 N SER A 85 2.323 9.050 17.294 1.00 20.15 N ATOM 659 CA SER A 85 1.487 8.110 16.552 1.00 20.65 C ATOM 660 C SER A 85 0.771 8.760 15.368 1.00 20.93 C ATOM 661 O SER A 85 0.553 9.974 15.369 1.00 20.87 O ATOM 662 CB SER A 85 0.430 7.522 17.485 1.00 20.63 C ATOM 663 OG SER A 85 -0.559 6.828 16.748 1.00 20.63 O ATOM 664 N SER A 86 0.397 7.963 14.373 1.00 21.13 N ATOM 665 CA SER A 86 -0.340 8.502 13.229 1.00 21.61 C ATOM 666 C SER A 86 -1.774 8.803 13.664 1.00 21.67 C ATOM 667 O SER A 86 -2.514 9.465 12.946 1.00 21.63 O ATOM 668 CB SER A 86 -0.374 7.502 12.085 1.00 22.35 C ATOM 669 OG SER A 86 -0.823 6.272 12.603 1.00 23.50 O ATOM 670 N ASP A 87 -2.163 8.297 14.832 1.00 21.48 N ATOM 671 CA ASP A 87 -3.503 8.528 15.398 1.00 21.63 C ATOM 672 C ASP A 87 -3.282 9.712 16.342 1.00 21.14 C ATOM 673 O ASP A 87 -2.542 9.587 17.318 1.00 21.17 O ATOM 674 CB ASP A 87 -3.957 7.301 16.206 1.00 22.41 C ATOM 675 CG ASP A 87 -5.307 7.504 16.909 1.00 23.70 C ATOM 676 OD1 ASP A 87 -5.836 8.633 16.922 1.00 24.43 O ATOM 677 OD2 ASP A 87 -5.844 6.519 17.459 1.00 24.90 O ATOM 678 N ILE A 88 -3.905 10.853 16.048 1.00 20.71 N ATOM 679 CA ILE A 88 -3.717 12.061 16.861 1.00 19.97 C ATOM 680 C ILE A 88 -4.508 12.149 18.160 1.00 19.93 C ATOM 681 O ILE A 88 -4.411 13.147 18.882 1.00 19.64 O ATOM 682 CB ILE A 88 -4.036 13.337 16.054 1.00 19.94 C ATOM 683 CG1 ILE A 88 -5.536 13.382 15.725 1.00 19.83 C ATOM 684 CG2 ILE A 88 -3.190 13.378 14.786 1.00 19.73 C ATOM 685 CD1 ILE A 88 -5.997 14.696 15.112 1.00 19.65 C ATOM 686 N THR A 89 -5.283 11.116 18.465 1.00 19.55 N ATOM 687 CA THR A 89 -6.088 11.106 19.681 1.00 19.01 C ATOM 688 C THR A 89 -5.322 11.541 20.933 1.00 18.66 C ATOM 689 O THR A 89 -5.743 12.458 21.637 1.00 18.42 O ATOM 690 CB THR A 89 -6.683 9.710 19.923 1.00 19.48 C ATOM 691 OG1 THR A 89 -7.490 9.344 18.797 1.00 19.71 O ATOM 692 CG2 THR A 89 -7.549 9.709 21.173 1.00 20.11 C ATOM 693 N ALA A 90 -4.197 10.886 21.204 1.00 17.83 N ATOM 694 CA ALA A 90 -3.395 11.205 22.377 1.00 17.62 C ATOM 695 C ALA A 90 -2.955 12.666 22.387 1.00 17.32 C ATOM 696 O ALA A 90 -3.019 13.330 23.419 1.00 17.24 O ATOM 697 CB ALA A 90 -2.177 10.287 22.442 1.00 17.76 C ATOM 698 N SER A 91 -2.504 13.167 21.243 1.00 17.11 N ATOM 699 CA SER A 91 -2.065 14.556 21.159 1.00 17.25 C ATOM 700 C SER A 91 -3.222 15.503 21.447 1.00 17.45 C ATOM 701 O SER A 91 -3.079 16.471 22.190 1.00 17.42 O ATOM 702 CB SER A 91 -1.497 14.854 19.773 1.00 17.66 C ATOM 703 OG SER A 91 -0.253 14.208 19.589 1.00 17.86 O ATOM 704 N VAL A 92 -4.370 15.213 20.849 1.00 17.35 N ATOM 705 CA VAL A 92 -5.557 16.030 21.034 1.00 17.83 C ATOM 706 C VAL A 92 -6.032 16.072 22.481 1.00 17.89 C ATOM 707 O VAL A 92 -6.310 17.148 23.012 1.00 17.68 O ATOM 708 CB VAL A 92 -6.701 15.523 20.135 1.00 17.98 C ATOM 709 CG1 VAL A 92 -8.024 16.193 20.519 1.00 18.36 C ATOM 710 CG2 VAL A 92 -6.362 15.815 18.684 1.00 18.08 C ATOM 711 N ASN A 93 -6.130 14.913 23.124 1.00 18.04 N ATOM 712 CA ASN A 93 -6.587 14.886 24.507 1.00 18.43 C ATOM 713 C ASN A 93 -5.658 15.675 25.417 1.00 18.06 C ATOM 714 O ASN A 93 -6.109 16.363 26.331 1.00 17.79 O ATOM 715 CB ASN A 93 -6.701 13.447 25.010 1.00 19.93 C ATOM 716 CG ASN A 93 -7.873 12.710 24.391 1.00 20.95 C ATOM 717 OD1 ASN A 93 -8.060 11.511 24.611 1.00 22.59 O ATOM 718 ND2 ASN A 93 -8.671 13.427 23.611 1.00 21.53 N ATOM 719 N CYS A 94 -4.360 15.587 25.158 1.00 17.36 N ATOM 720 CA CYS A 94 -3.387 16.292 25.982 1.00 17.03 C ATOM 721 C CYS A 94 -3.420 17.797 25.712 1.00 16.71 C ATOM 722 O CYS A 94 -3.280 18.609 26.631 1.00 16.35 O ATOM 723 CB CYS A 94 -1.985 15.725 25.733 1.00 17.40 C ATOM 724 SG CYS A 94 -0.695 16.390 26.835 1.00 17.97 S ATOM 725 N ALA A 95 -3.616 18.165 24.451 1.00 16.15 N ATOM 726 CA ALA A 95 -3.686 19.569 24.074 1.00 16.22 C ATOM 727 C ALA A 95 -4.875 20.227 24.778 1.00 16.33 C ATOM 728 O ALA A 95 -4.800 21.380 25.196 1.00 16.50 O ATOM 729 CB ALA A 95 -3.829 19.693 22.569 1.00 15.48 C ATOM 730 N LYS A 96 -5.975 19.491 24.911 1.00 16.93 N ATOM 731 CA LYS A 96 -7.159 20.029 25.577 1.00 17.20 C ATOM 732 C LYS A 96 -6.845 20.373 27.029 1.00 17.44 C ATOM 733 O LYS A 96 -7.356 21.349 27.567 1.00 17.55 O ATOM 734 CB LYS A 96 -8.311 19.021 25.517 1.00 17.55 C ATOM 735 CG LYS A 96 -8.958 18.880 24.136 1.00 18.04 C ATOM 736 CD LYS A 96 -10.042 17.806 24.150 1.00 19.16 C ATOM 737 CE LYS A 96 -10.779 17.746 22.815 1.00 19.76 C ATOM 738 NZ LYS A 96 -11.708 16.584 22.732 1.00 19.81 N ATOM 739 N LYS A 97 -5.999 19.575 27.668 1.00 17.70 N ATOM 740 CA LYS A 97 -5.647 19.847 29.055 1.00 18.47 C ATOM 741 C LYS A 97 -4.745 21.078 29.110 1.00 18.19 C ATOM 742 O LYS A 97 -4.908 21.945 29.967 1.00 17.93 O ATOM 743 CB LYS A 97 -4.937 18.636 29.672 1.00 19.36 C ATOM 744 CG LYS A 97 -5.754 17.348 29.578 1.00 21.39 C ATOM 745 CD LYS A 97 -5.087 16.179 30.294 1.00 23.16 C ATOM 746 CE LYS A 97 -5.733 14.853 29.888 1.00 24.02 C ATOM 747 NZ LYS A 97 -5.156 13.668 30.588 1.00 25.25 N ATOM 748 N ILE A 98 -3.804 21.150 28.176 1.00 17.94 N ATOM 749 CA ILE A 98 -2.866 22.265 28.106 1.00 18.09 C ATOM 750 C ILE A 98 -3.566 23.607 27.893 1.00 18.63 C ATOM 751 O ILE A 98 -3.303 24.572 28.606 1.00 18.17 O ATOM 752 CB ILE A 98 -1.836 22.055 26.955 1.00 17.78 C ATOM 753 CG1 ILE A 98 -0.962 20.832 27.245 1.00 17.46 C ATOM 754 CG2 ILE A 98 -0.955 23.290 26.793 1.00 17.32 C ATOM 755 CD1 ILE A 98 -0.064 20.448 26.083 1.00 17.18 C ATOM 756 N VAL A 99 -4.463 23.660 26.911 1.00 19.40 N ATOM 757 CA VAL A 99 -5.171 24.896 26.591 1.00 20.34 C ATOM 758 C VAL A 99 -6.134 25.349 27.691 1.00 21.75 C ATOM 759 O VAL A 99 -6.556 26.503 27.711 1.00 21.78 O ATOM 760 CB VAL A 99 -5.937 24.757 25.244 1.00 20.05 C ATOM 761 CG1 VAL A 99 -7.162 23.881 25.429 1.00 19.85 C ATOM 762 CG2 VAL A 99 -6.314 26.129 24.701 1.00 19.61 C ATOM 763 N SER A 100 -6.476 24.441 28.603 1.00 23.06 N ATOM 764 CA SER A 100 -7.379 24.761 29.709 1.00 24.81 C ATOM 765 C SER A 100 -6.580 25.217 30.935 1.00 25.90 C ATOM 766 O SER A 100 -7.147 25.705 31.912 1.00 26.08 O ATOM 767 CB SER A 100 -8.209 23.530 30.095 1.00 24.72 C ATOM 768 OG SER A 100 -8.955 23.031 28.998 1.00 24.96 O ATOM 769 N ASP A 101 -5.261 25.053 30.859 1.00 26.97 N ATOM 770 CA ASP A 101 -4.331 25.385 31.938 1.00 27.95 C ATOM 771 C ASP A 101 -4.371 26.823 32.454 1.00 27.92 C ATOM 772 O ASP A 101 -4.214 27.054 33.652 1.00 28.66 O ATOM 773 CB ASP A 101 -2.903 25.040 31.495 1.00 28.75 C ATOM 774 CG ASP A 101 -1.905 25.102 32.630 1.00 29.83 C ATOM 775 OD1 ASP A 101 -2.131 24.423 33.657 1.00 30.41 O ATOM 776 OD2 ASP A 101 -0.890 25.822 32.493 1.00 30.59 O ATOM 777 N GLY A 102 -4.569 27.790 31.565 1.00 27.52 N ATOM 778 CA GLY A 102 -4.609 29.173 32.007 1.00 26.66 C ATOM 779 C GLY A 102 -4.221 30.194 30.952 1.00 25.95 C ATOM 780 O GLY A 102 -4.893 31.218 30.812 1.00 26.46 O ATOM 781 N ASN A 103 -3.148 29.929 30.208 1.00 24.80 N ATOM 782 CA ASN A 103 -2.702 30.856 29.169 1.00 23.53 C ATOM 783 C ASN A 103 -3.254 30.551 27.789 1.00 21.56 C ATOM 784 O ASN A 103 -2.833 31.143 26.797 1.00 21.00 O ATOM 785 CB ASN A 103 -1.179 30.905 29.111 1.00 25.25 C ATOM 786 CG ASN A 103 -0.602 31.833 30.148 1.00 27.14 C ATOM 787 OD1 ASN A 103 -0.717 31.585 31.350 1.00 28.69 O ATOM 788 ND2 ASN A 103 0.010 32.924 29.693 1.00 28.38 N ATOM 789 N GLY A 104 -4.208 29.632 27.736 1.00 19.66 N ATOM 790 CA GLY A 104 -4.820 29.280 26.472 1.00 18.15 C ATOM 791 C GLY A 104 -3.811 28.773 25.467 1.00 16.93 C ATOM 792 O GLY A 104 -2.874 28.058 25.821 1.00 16.45 O ATOM 793 N MET A 105 -3.995 29.152 24.209 1.00 16.24 N ATOM 794 CA MET A 105 -3.092 28.706 23.158 1.00 15.69 C ATOM 795 C MET A 105 -1.746 29.417 23.150 1.00 15.26 C ATOM 796 O MET A 105 -0.868 29.075 22.357 1.00 15.35 O ATOM 797 CB MET A 105 -3.764 28.835 21.794 1.00 15.41 C ATOM 798 CG MET A 105 -4.799 27.750 21.562 1.00 15.43 C ATOM 799 SD MET A 105 -5.288 27.544 19.838 1.00 16.35 S ATOM 800 CE MET A 105 -3.816 26.688 19.165 1.00 16.09 C ATOM 801 N ASN A 106 -1.582 30.404 24.026 1.00 14.79 N ATOM 802 CA ASN A 106 -0.313 31.117 24.108 1.00 14.72 C ATOM 803 C ASN A 106 0.780 30.143 24.541 1.00 14.75 C ATOM 804 O ASN A 106 1.963 30.434 24.395 1.00 14.50 O ATOM 805 CB ASN A 106 -0.410 32.281 25.098 1.00 15.35 C ATOM 806 CG ASN A 106 -1.265 33.413 24.574 1.00 15.01 C ATOM 807 OD1 ASN A 106 -0.910 34.073 23.598 1.00 15.42 O ATOM 808 ND2 ASN A 106 -2.407 33.639 25.216 1.00 16.10 N ATOM 809 N ALA A 107 0.370 28.983 25.057 1.00 14.82 N ATOM 810 CA ALA A 107 1.306 27.944 25.490 1.00 15.41 C ATOM 811 C ALA A 107 2.166 27.466 24.318 1.00 15.74 C ATOM 812 O ALA A 107 3.277 26.974 24.507 1.00 16.44 O ATOM 813 CB ALA A 107 0.542 26.769 26.089 1.00 15.31 C ATOM 814 N TRP A 108 1.642 27.605 23.107 1.00 15.72 N ATOM 815 CA TRP A 108 2.370 27.226 21.902 1.00 15.84 C ATOM 816 C TRP A 108 2.963 28.526 21.351 1.00 16.20 C ATOM 817 O TRP A 108 2.224 29.370 20.847 1.00 15.68 O ATOM 818 CB TRP A 108 1.408 26.617 20.876 1.00 15.22 C ATOM 819 CG TRP A 108 1.006 25.209 21.187 1.00 15.17 C ATOM 820 CD1 TRP A 108 1.724 24.080 20.917 1.00 15.30 C ATOM 821 CD2 TRP A 108 -0.165 24.778 21.899 1.00 14.97 C ATOM 822 NE1 TRP A 108 1.082 22.973 21.418 1.00 15.06 N ATOM 823 CE2 TRP A 108 -0.081 23.373 22.028 1.00 15.06 C ATOM 824 CE3 TRP A 108 -1.274 25.440 22.445 1.00 15.09 C ATOM 825 CZ2 TRP A 108 -1.061 22.616 22.677 1.00 14.88 C ATOM 826 CZ3 TRP A 108 -2.256 24.679 23.098 1.00 15.26 C ATOM 827 CH2 TRP A 108 -2.134 23.283 23.209 1.00 14.47 C ATOM 828 N VAL A 109 4.276 28.699 21.444 1.00 16.56 N ATOM 829 CA VAL A 109 4.877 29.932 20.952 1.00 17.19 C ATOM 830 C VAL A 109 4.789 30.143 19.435 1.00 16.49 C ATOM 831 O VAL A 109 4.883 31.279 18.973 1.00 16.81 O ATOM 832 CB VAL A 109 6.352 30.098 21.458 1.00 18.32 C ATOM 833 CG1 VAL A 109 6.739 28.937 22.331 1.00 18.82 C ATOM 834 CG2 VAL A 109 7.290 30.276 20.311 1.00 19.36 C ATOM 835 N ALA A 110 4.594 29.084 18.645 1.00 16.05 N ATOM 836 CA ALA A 110 4.489 29.283 17.197 1.00 15.66 C ATOM 837 C ALA A 110 3.113 29.859 16.876 1.00 15.47 C ATOM 838 O ALA A 110 2.952 30.621 15.922 1.00 15.52 O ATOM 839 CB ALA A 110 4.718 27.966 16.438 1.00 16.23 C ATOM 840 N TRP A 111 2.124 29.508 17.691 1.00 15.06 N ATOM 841 CA TRP A 111 0.767 30.011 17.510 1.00 14.88 C ATOM 842 C TRP A 111 0.773 31.482 17.899 1.00 15.32 C ATOM 843 O TRP A 111 0.232 32.327 17.193 1.00 14.96 O ATOM 844 CB TRP A 111 -0.222 29.270 18.420 1.00 14.42 C ATOM 845 CG TRP A 111 -1.625 29.851 18.357 1.00 13.58 C ATOM 846 CD1 TRP A 111 -2.569 29.616 17.392 1.00 13.30 C ATOM 847 CD2 TRP A 111 -2.199 30.827 19.238 1.00 13.30 C ATOM 848 NE1 TRP A 111 -3.687 30.385 17.616 1.00 12.76 N ATOM 849 CE2 TRP A 111 -3.485 31.142 18.749 1.00 12.88 C ATOM 850 CE3 TRP A 111 -1.748 31.473 20.404 1.00 13.06 C ATOM 851 CZ2 TRP A 111 -4.327 32.065 19.369 1.00 13.42 C ATOM 852 CZ3 TRP A 111 -2.586 32.392 21.025 1.00 13.26 C ATOM 853 CH2 TRP A 111 -3.860 32.681 20.504 1.00 13.13 C ATOM 854 N ARG A 112 1.394 31.773 19.034 1.00 15.75 N ATOM 855 CA ARG A 112 1.469 33.134 19.532 1.00 17.30 C ATOM 856 C ARG A 112 2.185 34.057 18.539 1.00 17.05 C ATOM 857 O ARG A 112 1.755 35.184 18.312 1.00 16.62 O ATOM 858 CB ARG A 112 2.200 33.142 20.878 1.00 18.84 C ATOM 859 CG ARG A 112 2.119 34.452 21.652 1.00 22.02 C ATOM 860 CD ARG A 112 3.313 34.569 22.583 1.00 23.92 C ATOM 861 NE ARG A 112 3.597 33.294 23.235 1.00 25.78 N ATOM 862 CZ ARG A 112 4.801 32.919 23.652 1.00 26.18 C ATOM 863 NH1 ARG A 112 5.845 33.721 23.486 1.00 26.66 N ATOM 864 NH2 ARG A 112 4.960 31.734 24.230 1.00 26.79 N ATOM 865 N ASN A 113 3.264 33.569 17.932 1.00 16.84 N ATOM 866 CA ASN A 113 4.036 34.380 16.990 1.00 17.00 C ATOM 867 C ASN A 113 3.633 34.321 15.527 1.00 16.91 C ATOM 868 O ASN A 113 3.947 35.236 14.763 1.00 17.06 O ATOM 869 CB ASN A 113 5.524 34.027 17.080 1.00 16.80 C ATOM 870 CG ASN A 113 6.118 34.374 18.422 1.00 17.33 C ATOM 871 OD1 ASN A 113 5.800 35.413 18.994 1.00 17.49 O ATOM 872 ND2 ASN A 113 6.988 33.512 18.931 1.00 17.04 N ATOM 873 N ARG A 114 2.932 33.270 15.124 1.00 16.78 N ATOM 874 CA ARG A 114 2.586 33.149 13.716 1.00 16.30 C ATOM 875 C ARG A 114 1.123 32.938 13.355 1.00 16.13 C ATOM 876 O ARG A 114 0.773 33.001 12.174 1.00 15.72 O ATOM 877 CB ARG A 114 3.434 32.039 13.105 1.00 16.87 C ATOM 878 CG ARG A 114 4.888 32.148 13.527 1.00 17.19 C ATOM 879 CD ARG A 114 5.733 31.069 12.932 1.00 17.86 C ATOM 880 NE ARG A 114 5.839 31.184 11.481 1.00 18.10 N ATOM 881 CZ ARG A 114 6.592 30.378 10.742 1.00 18.05 C ATOM 882 NH1 ARG A 114 7.289 29.415 11.332 1.00 18.11 N ATOM 883 NH2 ARG A 114 6.649 30.528 9.426 1.00 17.46 N ATOM 884 N CYS A 115 0.277 32.702 14.355 1.00 15.16 N ATOM 885 CA CYS A 115 -1.150 32.484 14.112 1.00 15.30 C ATOM 886 C CYS A 115 -2.030 33.522 14.788 1.00 15.81 C ATOM 887 O CYS A 115 -2.966 34.044 14.180 1.00 16.01 O ATOM 888 CB CYS A 115 -1.560 31.098 14.605 1.00 14.46 C ATOM 889 SG CYS A 115 -0.613 29.772 13.819 1.00 13.90 S ATOM 890 N LYS A 116 -1.737 33.801 16.053 1.00 16.22 N ATOM 891 CA LYS A 116 -2.503 34.770 16.831 1.00 16.86 C ATOM 892 C LYS A 116 -2.664 36.091 16.083 1.00 17.74 C ATOM 893 O LYS A 116 -1.682 36.675 15.619 1.00 17.40 O ATOM 894 CB LYS A 116 -1.810 35.014 18.175 1.00 16.57 C ATOM 895 CG LYS A 116 -2.611 35.851 19.170 1.00 16.32 C ATOM 896 CD LYS A 116 -1.869 35.932 20.497 1.00 16.43 C ATOM 897 CE LYS A 116 -2.691 36.626 21.575 1.00 16.85 C ATOM 898 NZ LYS A 116 -1.990 36.586 22.898 1.00 16.67 N ATOM 899 N GLY A 117 -3.910 36.544 15.966 1.00 18.97 N ATOM 900 CA GLY A 117 -4.201 37.800 15.295 1.00 20.36 C ATOM 901 C GLY A 117 -4.227 37.772 13.779 1.00 21.52 C ATOM 902 O GLY A 117 -4.448 38.802 13.138 1.00 22.12 O ATOM 903 N THR A 118 -4.001 36.607 13.188 1.00 21.86 N ATOM 904 CA THR A 118 -4.006 36.503 11.737 1.00 22.18 C ATOM 905 C THR A 118 -5.328 35.897 11.304 1.00 22.95 C ATOM 906 O THR A 118 -6.130 35.496 12.145 1.00 23.03 O ATOM 907 CB THR A 118 -2.865 35.600 11.233 1.00 22.04 C ATOM 908 OG1 THR A 118 -3.116 34.246 11.633 1.00 21.40 O ATOM 909 CG2 THR A 118 -1.527 36.061 11.803 1.00 21.72 C ATOM 910 N ASP A 119 -5.561 35.832 9.998 1.00 23.80 N ATOM 911 CA ASP A 119 -6.801 35.248 9.496 1.00 24.91 C ATOM 912 C ASP A 119 -6.652 33.731 9.479 1.00 24.79 C ATOM 913 O ASP A 119 -6.399 33.130 8.436 1.00 24.96 O ATOM 914 CB ASP A 119 -7.109 35.764 8.085 1.00 26.32 C ATOM 915 CG ASP A 119 -8.403 35.190 7.527 1.00 27.75 C ATOM 916 OD1 ASP A 119 -9.410 35.164 8.268 1.00 28.72 O ATOM 917 OD2 ASP A 119 -8.419 34.772 6.349 1.00 28.73 O ATOM 918 N VAL A 120 -6.806 33.115 10.646 1.00 24.79 N ATOM 919 CA VAL A 120 -6.669 31.672 10.769 1.00 24.72 C ATOM 920 C VAL A 120 -7.729 30.887 9.998 1.00 25.06 C ATOM 921 O VAL A 120 -7.549 29.697 9.728 1.00 24.63 O ATOM 922 CB VAL A 120 -6.706 31.240 12.247 1.00 24.48 C ATOM 923 CG1 VAL A 120 -5.504 31.813 12.987 1.00 24.25 C ATOM 924 CG2 VAL A 120 -7.991 31.708 12.886 1.00 24.16 C ATOM 925 N GLN A 121 -8.825 31.548 9.633 1.00 25.39 N ATOM 926 CA GLN A 121 -9.887 30.875 8.892 1.00 25.79 C ATOM 927 C GLN A 121 -9.344 30.387 7.549 1.00 25.35 C ATOM 928 O GLN A 121 -9.855 29.429 6.961 1.00 25.17 O ATOM 929 CB GLN A 121 -11.074 31.829 8.685 1.00 27.19 C ATOM 930 CG GLN A 121 -12.346 31.155 8.173 1.00 29.24 C ATOM 931 CD GLN A 121 -12.365 30.991 6.664 1.00 30.50 C ATOM 932 OE1 GLN A 121 -12.972 30.055 6.137 1.00 31.30 O ATOM 933 NE2 GLN A 121 -11.715 31.914 5.959 1.00 30.89 N ATOM 934 N ALA A 122 -8.292 31.042 7.076 1.00 24.70 N ATOM 935 CA ALA A 122 -7.675 30.676 5.811 1.00 24.25 C ATOM 936 C ALA A 122 -7.143 29.242 5.834 1.00 24.13 C ATOM 937 O ALA A 122 -7.020 28.602 4.789 1.00 23.27 O ATOM 938 CB ALA A 122 -6.544 31.644 5.487 1.00 24.43 C ATOM 939 N TRP A 123 -6.842 28.733 7.026 1.00 23.97 N ATOM 940 CA TRP A 123 -6.304 27.383 7.148 1.00 24.49 C ATOM 941 C TRP A 123 -7.300 26.256 6.910 1.00 24.79 C ATOM 942 O TRP A 123 -6.908 25.100 6.742 1.00 25.19 O ATOM 943 CB TRP A 123 -5.625 27.209 8.510 1.00 23.82 C ATOM 944 CG TRP A 123 -4.354 27.992 8.600 1.00 23.64 C ATOM 945 CD1 TRP A 123 -4.173 29.203 9.206 1.00 23.52 C ATOM 946 CD2 TRP A 123 -3.103 27.658 7.998 1.00 23.36 C ATOM 947 NE1 TRP A 123 -2.884 29.643 9.016 1.00 23.30 N ATOM 948 CE2 TRP A 123 -2.199 28.704 8.271 1.00 23.38 C ATOM 949 CE3 TRP A 123 -2.649 26.561 7.243 1.00 23.32 C ATOM 950 CZ2 TRP A 123 -0.876 28.704 7.827 1.00 23.53 C ATOM 951 CZ3 TRP A 123 -1.328 26.555 6.794 1.00 23.63 C ATOM 952 CH2 TRP A 123 -0.459 27.621 7.089 1.00 23.64 C ATOM 953 N ILE A 124 -8.583 26.583 6.889 1.00 25.02 N ATOM 954 CA ILE A 124 -9.590 25.562 6.650 1.00 25.73 C ATOM 955 C ILE A 124 -10.423 25.861 5.411 1.00 26.21 C ATOM 956 O ILE A 124 -11.352 25.124 5.096 1.00 25.97 O ATOM 957 CB ILE A 124 -10.530 25.402 7.863 1.00 25.63 C ATOM 958 CG1 ILE A 124 -11.171 26.747 8.216 1.00 25.57 C ATOM 959 CG2 ILE A 124 -9.747 24.850 9.046 1.00 25.34 C ATOM 960 CD1 ILE A 124 -12.230 26.655 9.306 1.00 26.42 C ATOM 961 N ARG A 125 -10.087 26.936 4.703 1.00 27.39 N ATOM 962 CA ARG A 125 -10.835 27.292 3.502 1.00 28.70 C ATOM 963 C ARG A 125 -10.658 26.226 2.431 1.00 28.89 C ATOM 964 O ARG A 125 -9.564 25.684 2.256 1.00 28.78 O ATOM 965 CB ARG A 125 -10.395 28.667 2.967 1.00 30.01 C ATOM 966 CG ARG A 125 -8.930 28.788 2.544 1.00 31.96 C ATOM 967 CD ARG A 125 -8.635 28.093 1.214 1.00 33.52 C ATOM 968 NE ARG A 125 -7.283 28.372 0.726 1.00 34.97 N ATOM 969 CZ ARG A 125 -6.164 28.078 1.386 1.00 35.57 C ATOM 970 NH1 ARG A 125 -6.219 27.495 2.577 1.00 35.97 N ATOM 971 NH2 ARG A 125 -4.982 28.375 0.857 1.00 35.86 N ATOM 972 N GLY A 126 -11.742 25.920 1.725 1.00 29.08 N ATOM 973 CA GLY A 126 -11.685 24.915 0.679 1.00 29.54 C ATOM 974 C GLY A 126 -11.861 23.499 1.189 1.00 29.97 C ATOM 975 O GLY A 126 -12.017 22.566 0.403 1.00 30.31 O ATOM 976 N CYS A 127 -11.841 23.330 2.508 1.00 30.11 N ATOM 977 CA CYS A 127 -11.998 22.008 3.108 1.00 30.36 C ATOM 978 C CYS A 127 -13.460 21.603 3.247 1.00 30.95 C ATOM 979 O CYS A 127 -14.317 22.436 3.534 1.00 30.66 O ATOM 980 CB CYS A 127 -11.372 21.980 4.496 1.00 30.03 C ATOM 981 SG CYS A 127 -9.549 22.361 4.414 1.00 29.30 S ATOM 982 N ARG A 128 -13.737 20.318 3.052 1.00 31.91 N ATOM 983 CA ARG A 128 -15.094 19.803 3.192 1.00 33.12 C ATOM 984 C ARG A 128 -15.257 19.415 4.658 1.00 33.46 C ATOM 985 O ARG A 128 -14.815 18.349 5.075 1.00 33.80 O ATOM 986 CB ARG A 128 -15.300 18.567 2.312 1.00 33.60 C ATOM 987 CG ARG A 128 -16.755 18.133 2.195 1.00 34.82 C ATOM 988 CD ARG A 128 -16.876 16.717 1.648 1.00 35.74 C ATOM 989 NE ARG A 128 -16.216 16.549 0.356 1.00 36.95 N ATOM 990 CZ ARG A 128 -16.655 17.072 -0.784 1.00 37.51 C ATOM 991 NH1 ARG A 128 -17.767 17.799 -0.800 1.00 38.01 N ATOM 992 NH2 ARG A 128 -15.982 16.865 -1.910 1.00 37.75 N ATOM 993 N LEU A 129 -15.883 20.293 5.434 1.00 34.02 N ATOM 994 CA LEU A 129 -16.097 20.065 6.860 1.00 34.48 C ATOM 995 C LEU A 129 -17.580 19.987 7.220 1.00 34.89 C ATOM 996 O LEU A 129 -17.923 19.234 8.156 1.00 35.25 O ATOM 997 CB LEU A 129 -15.431 21.182 7.666 1.00 34.61 C ATOM 998 CG LEU A 129 -13.926 21.093 7.941 1.00 35.03 C ATOM 999 CD1 LEU A 129 -13.182 20.576 6.730 1.00 35.10 C ATOM 1000 CD2 LEU A 129 -13.415 22.471 8.344 1.00 35.05 C ATOM 1001 OXT LEU A 129 -18.384 20.696 6.577 1.00 35.19 O TER 1002 LEU A 129 HETATM 1003 O HOH A 130 2.837 10.447 5.610 1.00 27.28 O HETATM 1004 O HOH A 131 3.666 7.271 10.561 1.00 28.33 O HETATM 1005 O HOH A 132 5.768 11.100 9.498 1.00 18.29 O HETATM 1006 O HOH A 133 10.359 6.373 31.303 1.00 22.19 O HETATM 1007 O HOH A 134 -1.556 12.091 4.195 1.00 42.82 O HETATM 1008 O HOH A 135 2.863 11.800 3.008 1.00 49.67 O HETATM 1009 O HOH A 136 1.077 18.406 4.351 1.00 28.94 O HETATM 1010 O HOH A 137 14.464 7.534 33.502 1.00 44.04 O HETATM 1011 O HOH A 138 8.345 18.162 10.785 1.00 23.08 O HETATM 1012 O HOH A 139 -5.907 17.049 2.917 1.00 26.66 O HETATM 1013 O HOH A 140 2.184 20.643 38.992 1.00 49.18 O HETATM 1014 O HOH A 141 -1.354 20.658 2.951 1.00 46.48 O HETATM 1015 O HOH A 142 -2.109 15.511 38.498 1.00 49.38 O HETATM 1016 O HOH A 143 -0.612 23.865 4.022 1.00 37.91 O HETATM 1017 O HOH A 144 -11.407 18.628 1.604 1.00 36.16 O HETATM 1018 O HOH A 145 -9.018 13.114 8.336 1.00 26.89 O HETATM 1019 O HOH A 146 -14.507 15.379 10.849 1.00 28.59 O HETATM 1020 O HOH A 147 -9.319 10.565 12.490 1.00 44.79 O HETATM 1021 O HOH A 148 -19.673 17.684 1.620 1.00 51.42 O HETATM 1022 O HOH A 149 -14.749 24.220 25.217 1.00 34.45 O HETATM 1023 O HOH A 150 -13.806 23.819 32.776 1.00 38.37 O HETATM 1024 O HOH A 151 -8.222 31.535 26.260 1.00 9.05 O HETATM 1025 O HOH A 152 -10.751 31.823 23.839 1.00 21.27 O HETATM 1026 O HOH A 153 -11.565 31.615 17.539 1.00 20.93 O HETATM 1027 O HOH A 154 -14.629 32.136 20.236 1.00 33.98 O HETATM 1028 O HOH A 155 -9.523 33.375 15.731 1.00 28.82 O HETATM 1029 O HOH A 156 -14.970 29.819 18.814 1.00 52.56 O HETATM 1030 O HOH A 157 -11.148 29.185 11.876 1.00 17.35 O HETATM 1031 O HOH A 158 -14.815 20.175 16.752 1.00 21.29 O HETATM 1032 O HOH A 159 -11.784 31.854 13.196 1.00 50.97 O HETATM 1033 O HOH A 160 -6.274 33.776 16.736 1.00 28.14 O HETATM 1034 O HOH A 161 4.457 33.169 9.593 1.00 17.21 O HETATM 1035 O HOH A 162 1.763 33.822 9.842 1.00 22.99 O HETATM 1036 O HOH A 163 0.147 35.864 8.793 1.00 28.40 O HETATM 1037 O HOH A 164 0.063 38.611 9.305 1.00 36.25 O HETATM 1038 O HOH A 165 0.265 38.357 21.943 1.00 35.50 O HETATM 1039 O HOH A 166 -2.639 32.300 9.568 1.00 27.19 O HETATM 1040 O HOH A 167 0.940 36.270 15.160 1.00 25.22 O HETATM 1041 O HOH A 168 18.986 10.346 25.517 1.00 30.59 O HETATM 1042 O HOH A 169 9.219 20.748 14.428 1.00 30.87 O HETATM 1043 O HOH A 170 9.095 22.687 19.327 1.00 32.20 O HETATM 1044 O HOH A 171 7.640 24.930 19.781 1.00 28.01 O HETATM 1045 O HOH A 172 1.404 13.965 16.827 1.00 21.28 O HETATM 1046 O HOH A 173 -0.229 12.110 16.766 1.00 25.33 O HETATM 1047 O HOH A 174 -0.972 11.477 19.215 1.00 19.82 O HETATM 1048 O HOH A 175 -3.243 8.489 19.716 1.00 20.70 O HETATM 1049 O HOH A 176 -0.804 6.944 20.764 1.00 35.73 O HETATM 1050 O HOH A 177 11.610 13.429 15.085 1.00 15.22 O HETATM 1051 O HOH A 178 16.316 18.610 18.216 1.00 25.29 O HETATM 1052 O HOH A 179 13.977 15.153 26.754 1.00 17.73 O HETATM 1053 O HOH A 180 -14.164 27.002 2.778 1.00 30.95 O HETATM 1054 O HOH A 181 5.579 26.397 22.434 1.00 33.01 O HETATM 1055 O HOH A 182 3.860 21.720 25.456 1.00 21.86 O HETATM 1056 O HOH A 183 9.773 13.189 31.026 1.00 19.96 O HETATM 1057 O HOH A 184 11.715 11.924 32.747 1.00 23.75 O HETATM 1058 O HOH A 185 7.881 14.564 32.040 1.00 22.41 O HETATM 1059 O HOH A 186 1.818 16.566 19.792 1.00 13.18 O HETATM 1060 O HOH A 187 -7.820 15.186 31.764 1.00 66.32 O HETATM 1061 O HOH A 188 0.465 26.533 30.215 1.00 50.06 O HETATM 1062 O HOH A 189 -2.239 27.115 28.578 1.00 23.72 O HETATM 1063 O HOH A 190 -7.087 28.673 29.272 1.00 35.69 O HETATM 1064 O HOH A 191 2.382 30.779 5.321 1.00 57.10 O HETATM 1065 O HOH A 192 -14.127 24.716 4.959 1.00 35.37 O HETATM 1066 O HOH A 193 -10.812 27.995 -1.095 1.00 48.93 O HETATM 1067 O HOH A 194 7.641 4.309 24.688 1.00 30.06 O HETATM 1068 O HOH A 195 -0.048 7.297 5.960 1.00 50.68 O HETATM 1069 O HOH A 196 3.860 8.333 7.423 1.00 38.49 O HETATM 1070 O HOH A 197 6.854 5.837 30.005 1.00 41.68 O HETATM 1071 O HOH A 198 2.019 5.274 14.576 1.00 36.40 O HETATM 1072 O HOH A 199 1.465 4.016 17.694 1.00 45.29 O HETATM 1073 O HOH A 200 4.175 6.076 18.644 1.00 43.28 O HETATM 1074 O HOH A 201 -6.347 10.502 13.004 1.00 44.06 O HETATM 1075 O HOH A 202 -4.233 9.059 10.837 1.00 34.13 O HETATM 1076 O HOH A 203 -5.414 19.548 1.950 1.00 26.81 O HETATM 1077 O HOH A 204 -2.641 22.767 1.360 1.00 42.03 O HETATM 1078 O HOH A 205 -3.336 9.597 4.097 1.00 45.08 O HETATM 1079 O HOH A 206 1.669 10.231 39.338 1.00 47.66 O HETATM 1080 O HOH A 207 -0.841 13.588 37.244 1.00 44.28 O HETATM 1081 O HOH A 208 -14.285 22.547 26.838 1.00 55.54 O HETATM 1082 O HOH A 209 -16.329 22.277 23.890 1.00 47.27 O HETATM 1083 O HOH A 210 -15.936 18.427 26.232 1.00 40.99 O HETATM 1084 O HOH A 211 -11.921 13.780 28.323 1.00 41.09 O HETATM 1085 O HOH A 212 -8.186 15.475 27.942 1.00 35.36 O HETATM 1086 O HOH A 213 -9.890 17.538 29.659 1.00 43.25 O HETATM 1087 O HOH A 214 8.521 23.928 15.333 1.00 49.05 O HETATM 1088 O HOH A 215 -11.478 30.860 27.027 1.00 54.97 O HETATM 1089 O HOH A 216 -15.851 28.437 25.020 1.00 47.44 O HETATM 1090 O HOH A 217 7.794 26.359 15.530 1.00 39.29 O HETATM 1091 O HOH A 218 -8.182 29.234 31.966 1.00 35.31 O HETATM 1092 O HOH A 219 -7.384 27.543 33.775 1.00 51.57 O HETATM 1093 O HOH A 220 -9.548 28.520 34.413 1.00 52.96 O HETATM 1094 O HOH A 221 -13.954 29.009 27.125 1.00 54.09 O HETATM 1095 O HOH A 222 5.651 25.042 8.533 1.00 39.52 O HETATM 1096 O HOH A 223 -17.213 30.671 20.265 1.00 54.65 O HETATM 1097 O HOH A 224 -4.478 33.737 6.939 1.00 42.43 O HETATM 1098 O HOH A 225 -2.883 29.534 4.161 1.00 43.82 O HETATM 1099 O HOH A 226 -6.917 35.667 14.710 1.00 37.06 O HETATM 1100 O HOH A 227 -9.999 34.194 10.858 1.00 41.79 O HETATM 1101 O HOH A 228 2.152 41.000 21.804 1.00 52.57 O HETATM 1102 O HOH A 229 -3.616 37.412 8.120 1.00 42.95 O HETATM 1103 O HOH A 230 -6.815 39.025 16.473 1.00 42.52 O HETATM 1104 O HOH A 231 3.219 28.482 5.044 1.00 40.71 O HETATM 1105 O HOH A 232 17.929 10.838 31.947 1.00 45.10 O HETATM 1106 O HOH A 233 -19.347 26.598 18.775 1.00 48.93 O HETATM 1107 O HOH A 234 19.141 19.139 19.095 1.00 42.45 O HETATM 1108 O HOH A 235 10.581 23.110 29.286 1.00 36.34 O HETATM 1109 O HOH A 236 14.224 25.262 27.168 1.00 48.07 O HETATM 1110 O HOH A 237 -17.487 22.232 4.485 1.00 33.06 O HETATM 1111 O HOH A 238 -16.301 17.525 8.960 1.00 46.93 O HETATM 1112 O HOH A 239 20.052 19.172 25.701 1.00 43.22 O HETATM 1113 O HOH A 240 3.091 23.876 24.101 1.00 39.45 O HETATM 1114 O HOH A 241 6.695 24.468 26.080 1.00 44.09 O HETATM 1115 O HOH A 242 -0.017 23.362 34.799 1.00 44.16 O HETATM 1116 O HOH A 243 5.345 9.304 34.840 1.00 51.75 O HETATM 1117 O HOH A 244 3.014 7.191 31.963 1.00 42.58 O HETATM 1118 O HOH A 245 5.456 5.345 34.514 1.00 51.32 O HETATM 1119 O HOH A 246 12.731 12.739 38.128 1.00 59.05 O HETATM 1120 O HOH A 247 7.991 20.267 38.241 1.00 47.58 O HETATM 1121 O HOH A 248 -4.568 21.972 33.128 1.00 40.67 O HETATM 1122 O HOH A 249 -8.074 5.713 18.016 1.00 49.67 O HETATM 1123 O HOH A 250 -8.222 18.062 33.759 1.00 46.39 O HETATM 1124 O HOH A 251 2.651 33.849 26.622 1.00 42.64 O HETATM 1125 O HOH A 252 1.909 32.004 28.157 1.00 43.71 O HETATM 1126 O HOH A 253 1.389 36.845 24.026 1.00 48.60 O HETATM 1127 O HOH A 254 -8.594 18.408 0.232 1.00 54.78 O HETATM 1128 O HOH A 255 19.871 21.564 24.336 1.00 44.11 O HETATM 1129 O HOH A 256 16.830 23.938 21.271 1.00 42.65 O HETATM 1130 O HOH A 257 3.701 19.449 5.219 1.00 33.51 O HETATM 1131 O HOH A 258 17.215 8.132 29.991 1.00 31.30 O HETATM 1132 O HOH A 259 -2.936 12.824 38.446 1.00 50.33 O HETATM 1133 O HOH A 260 -3.072 15.185 35.483 1.00 47.80 O HETATM 1134 O HOH A 261 1.744 11.775 36.723 1.00 41.09 O HETATM 1135 O HOH A 262 -3.938 10.140 35.467 1.00 47.59 O HETATM 1136 O HOH A 263 -8.802 10.818 9.963 1.00 45.17 O HETATM 1137 O HOH A 264 -16.612 12.553 18.690 1.00 43.41 O HETATM 1138 O HOH A 265 -14.110 31.597 17.447 1.00 40.18 O HETATM 1139 O HOH A 266 -12.583 23.024 28.457 1.00 51.48 O HETATM 1140 O HOH A 267 -7.591 40.433 14.171 1.00 40.85 O HETATM 1141 O HOH A 268 0.395 29.660 4.440 1.00 48.03 O HETATM 1142 O HOH A 269 -15.095 31.325 14.735 1.00 48.95 O HETATM 1143 O HOH A 270 14.814 15.890 17.841 1.00 49.40 O HETATM 1144 O HOH A 271 -12.578 29.685 -0.299 1.00 46.07 O HETATM 1145 O HOH A 272 -4.607 9.836 26.043 1.00 37.91 O HETATM 1146 O HOH A 273 4.953 4.090 21.824 1.00 43.65 O HETATM 1147 O HOH A 274 -3.173 4.189 13.183 1.00 41.09 O HETATM 1148 O HOH A 275 -11.375 16.711 27.857 1.00 47.59 O HETATM 1149 O HOH A 276 2.792 31.354 30.737 1.00 46.44 O HETATM 1150 O HOH A 277 -9.841 33.207 4.594 1.00 50.45 O HETATM 1151 O HOH A 278 4.650 36.344 27.952 1.00 39.90 O HETATM 1152 O HOH A 279 -2.700 11.740 25.930 1.00 39.29 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 290 0 0 7 3 0 0 6 1151 1 8 10 END