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*** 1dpx ***elNémo ID: 2312281121353012833Job options:ID = 2312281121353012833 JOBID = 1dpx USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER 1dpx HEADER HYDROLASE 28-DEC-99 1DPX TITLE STRUCTURE OF HEN EGG-WHITE LYSOZYME 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 TISSUE: EGG-WHITE KEYWDS PROTEIN-CHLORIDE COMPLEX, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR M.S.WEISS,G.J.PALM,R.HILGENFELD REVDAT 4 24-FEB-09 1DPX 1 VERSN REVDAT 3 09-OCT-02 1DPX 1 REMARK REVDAT 2 30-AUG-00 1DPX 1 JRNL REVDAT 1 03-JAN-00 1DPX 0 JRNL AUTH M.S.WEISS,G.J.PALM,R.HILGENFELD JRNL TITL CRYSTALLIZATION, STRUCTURE SOLUTION AND REFINEMENT JRNL TITL 2 OF HEN EGG-WHITE LYSOZYME AT PH 8.0 IN THE JRNL TITL 3 PRESENCE OF MPD. JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 56 952 2000 JRNL REFN ISSN 0907-4449 JRNL PMID 10944331 JRNL DOI 10.1107/S0907444900006685 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.65 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.65 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 40.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 13961 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : NULL REMARK 3 R VALUE (WORKING SET) : 0.187 REMARK 3 FREE R VALUE : 0.246 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 694 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1013 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 2 REMARK 3 SOLVENT ATOMS : 177 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 17.20 REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): NULL REMARK 3 ESU BASED ON FREE R VALUE (A): NULL REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA REMARK 3 BOND LENGTH (A) : NULL ; NULL REMARK 3 ANGLE DISTANCE (A) : NULL ; NULL REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : NULL ; NULL REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : NULL ; NULL REMARK 3 STAGGERED (DEGREES) : NULL ; NULL REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1DPX COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-DEC-99. REMARK 100 THE RCSB ID CODE IS RCSB010274. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 4.5 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 : ENRAF-NONIUS FR591 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.54 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 : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 13962 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.650 REMARK 200 RESOLUTION RANGE LOW (A) : 99.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.7 REMARK 200 DATA REDUNDANCY : 12.660 REMARK 200 R MERGE (I) : 0.03800 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 51.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.65 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.71 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.14300 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 36.15 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.93 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: SODIUM ACETATE, SODIUM CHLORIDE, PH REMARK 280 4.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 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 18.60500 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 38.52500 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 38.52500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 27.90750 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 38.52500 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 38.52500 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.30250 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 38.52500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 38.52500 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 27.90750 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 38.52500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 38.52500 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.30250 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 18.60500 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 232 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 238 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 240 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 267 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 303 LIES ON A SPECIAL POSITION. REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LEU A 129 C O REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 237 O HOH A 255 1.69 REMARK 500 O HOH A 290 O HOH A 331 1.95 REMARK 500 O HOH A 298 O HOH A 327 2.02 REMARK 500 O HOH A 330 O HOH A 355 2.13 REMARK 500 O HOH A 229 O HOH A 338 2.14 REMARK 500 O HOH A 214 O HOH A 234 2.16 REMARK 500 REMARK 500 REMARK: NULL 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 253 O HOH A 331 8555 1.86 REMARK 500 O HOH A 298 O HOH A 298 7556 1.96 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 5 NE - CZ - NH2 ANGL. DEV. = -3.3 DEGREES REMARK 500 ARG A 14 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 ARG A 14 NE - CZ - NH2 ANGL. DEV. = -6.4 DEGREES REMARK 500 ARG A 45 NE - CZ - NH1 ANGL. DEV. = -3.6 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 200 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 201 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1DPW RELATED DB: PDB REMARK 900 STRUCTURE OF HEN EGG-WHITE LYSOZYME IN COMPLEX WITH MPD DBREF 1DPX 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 HET CL A 200 1 HET CL A 201 1 HETNAM CL CHLORIDE ION FORMUL 2 CL 2(CL 1-) FORMUL 4 HOH *177(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 SER A 100 1 13 HELIX 5 5 ASN A 103 ALA A 107 5 5 HELIX 6 6 TRP A 108 CYS A 115 1 8 HELIX 7 7 ASP A 119 ARG A 125 5 7 SHEET 1 A 3 THR A 43 ARG A 45 0 SHEET 2 A 3 THR A 51 TYR A 53 -1 N ASP A 52 O ASN A 44 SHEET 3 A 3 ILE A 58 ASN A 59 -1 O ILE A 58 N TYR A 53 SSBOND 1 CYS A 6 CYS A 127 1555 1555 1.99 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.04 SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.04 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.04 SITE 1 AC1 2 TYR A 23 ASN A 113 SITE 1 AC2 4 SER A 24 GLY A 26 GLN A 121 ILE A 124 CRYST1 77.050 77.050 37.210 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 0.012980 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012980 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026870 0.00000 ATOM 1 N LYS A 1 1.990 9.126 10.027 1.00 16.50 N ATOM 2 CA LYS A 1 1.067 9.654 8.994 1.00 16.87 C ATOM 3 C LYS A 1 1.167 11.156 8.783 1.00 16.39 C ATOM 4 O LYS A 1 1.155 11.908 9.776 1.00 15.96 O ATOM 5 CB LYS A 1 -0.361 9.267 9.380 1.00 18.93 C ATOM 6 CG LYS A 1 -1.429 9.868 8.467 1.00 19.34 C ATOM 7 CD LYS A 1 -2.781 9.259 8.802 1.00 21.34 C ATOM 8 CE ALYS A 1 -3.899 9.938 8.018 0.50 21.41 C ATOM 9 CE BLYS A 1 -3.839 10.005 7.983 0.50 22.40 C ATOM 10 NZ ALYS A 1 -4.034 9.390 6.642 0.50 21.17 N ATOM 11 NZ BLYS A 1 -5.212 9.563 8.333 0.50 24.73 N ATOM 12 N VAL A 2 1.278 11.558 7.532 1.00 16.01 N ATOM 13 CA VAL A 2 1.246 12.972 7.197 1.00 15.32 C ATOM 14 C VAL A 2 -0.182 13.272 6.760 1.00 15.17 C ATOM 15 O VAL A 2 -0.639 12.820 5.703 1.00 16.01 O ATOM 16 CB VAL A 2 2.284 13.391 6.154 1.00 18.75 C ATOM 17 CG1 VAL A 2 2.168 14.868 5.819 1.00 19.78 C ATOM 18 CG2 VAL A 2 3.681 13.115 6.719 1.00 18.93 C ATOM 19 N PHE A 3 -0.913 13.974 7.612 1.00 13.76 N ATOM 20 CA PHE A 3 -2.285 14.327 7.313 1.00 13.57 C ATOM 21 C PHE A 3 -2.360 15.431 6.261 1.00 14.39 C ATOM 22 O PHE A 3 -1.528 16.329 6.193 1.00 14.83 O ATOM 23 CB PHE A 3 -3.040 14.841 8.530 1.00 16.19 C ATOM 24 CG PHE A 3 -3.673 13.812 9.419 1.00 15.21 C ATOM 25 CD1 PHE A 3 -2.900 13.114 10.329 1.00 15.00 C ATOM 26 CD2 PHE A 3 -5.043 13.579 9.383 1.00 16.87 C ATOM 27 CE1 PHE A 3 -3.461 12.164 11.170 1.00 18.25 C ATOM 28 CE2 PHE A 3 -5.600 12.635 10.219 1.00 15.89 C ATOM 29 CZ PHE A 3 -4.818 11.917 11.104 1.00 15.57 C ATOM 30 N GLY A 4 -3.481 15.362 5.521 1.00 14.57 N ATOM 31 CA GLY A 4 -3.767 16.491 4.630 1.00 14.92 C ATOM 32 C GLY A 4 -4.437 17.545 5.518 1.00 15.36 C ATOM 33 O GLY A 4 -4.936 17.238 6.603 1.00 16.28 O ATOM 34 N ARG A 5 -4.454 18.789 5.074 1.00 15.67 N ATOM 35 CA ARG A 5 -5.049 19.858 5.883 1.00 15.52 C ATOM 36 C ARG A 5 -6.508 19.624 6.233 1.00 16.36 C ATOM 37 O ARG A 5 -6.896 19.671 7.412 1.00 15.56 O ATOM 38 CB ARG A 5 -4.855 21.159 5.106 1.00 17.05 C ATOM 39 CG ARG A 5 -5.422 22.389 5.791 1.00 18.54 C ATOM 40 CD ARG A 5 -5.134 23.622 4.972 1.00 15.70 C ATOM 41 NE ARG A 5 -5.637 23.599 3.603 1.00 19.15 N ATOM 42 CZ ARG A 5 -6.888 23.946 3.282 1.00 16.84 C ATOM 43 NH1 ARG A 5 -7.769 24.339 4.191 1.00 16.94 N ATOM 44 NH2 ARG A 5 -7.219 23.890 1.989 1.00 21.28 N ATOM 45 N CYS A 6 -7.354 19.370 5.237 1.00 16.34 N ATOM 46 CA CYS A 6 -8.777 19.141 5.499 1.00 16.26 C ATOM 47 C CYS A 6 -9.012 17.803 6.197 1.00 14.69 C ATOM 48 O CYS A 6 -9.947 17.658 6.988 1.00 14.93 O ATOM 49 CB CYS A 6 -9.612 19.149 4.208 1.00 17.62 C ATOM 50 SG CYS A 6 -9.692 20.816 3.487 1.00 18.05 S ATOM 51 N GLU A 7 -8.149 16.833 5.920 1.00 14.37 N ATOM 52 CA GLU A 7 -8.178 15.522 6.535 1.00 14.18 C ATOM 53 C GLU A 7 -7.993 15.656 8.053 1.00 14.37 C ATOM 54 O GLU A 7 -8.764 15.069 8.822 1.00 14.87 O ATOM 55 CB GLU A 7 -7.098 14.596 5.961 1.00 15.22 C ATOM 56 CG GLU A 7 -7.183 13.180 6.526 1.00 15.78 C ATOM 57 CD GLU A 7 -6.048 12.315 6.036 1.00 17.87 C ATOM 58 OE1 GLU A 7 -5.017 12.791 5.501 1.00 18.58 O ATOM 59 OE2 GLU A 7 -6.222 11.079 6.172 1.00 20.43 O ATOM 60 N LEU A 8 -7.015 16.490 8.416 1.00 14.34 N ATOM 61 CA LEU A 8 -6.778 16.716 9.847 1.00 13.81 C ATOM 62 C LEU A 8 -7.907 17.524 10.455 1.00 13.61 C ATOM 63 O LEU A 8 -8.369 17.246 11.572 1.00 14.07 O ATOM 64 CB LEU A 8 -5.420 17.412 10.063 1.00 11.51 C ATOM 65 CG LEU A 8 -5.119 17.682 11.541 1.00 12.42 C ATOM 66 CD1 LEU A 8 -5.065 16.387 12.326 1.00 13.65 C ATOM 67 CD2 LEU A 8 -3.793 18.446 11.655 1.00 15.48 C ATOM 68 N ALA A 9 -8.435 18.511 9.730 1.00 13.23 N ATOM 69 CA ALA A 9 -9.522 19.337 10.243 1.00 12.88 C ATOM 70 C ALA A 9 -10.719 18.454 10.567 1.00 14.06 C ATOM 71 O ALA A 9 -11.322 18.567 11.634 1.00 14.68 O ATOM 72 CB ALA A 9 -9.839 20.411 9.207 1.00 16.86 C ATOM 73 N ALA A 10 -11.045 17.507 9.677 1.00 13.71 N ATOM 74 CA ALA A 10 -12.200 16.640 9.937 1.00 15.49 C ATOM 75 C ALA A 10 -11.991 15.727 11.132 1.00 15.60 C ATOM 76 O ALA A 10 -12.933 15.472 11.884 1.00 16.64 O ATOM 77 CB ALA A 10 -12.541 15.763 8.735 1.00 16.77 C ATOM 78 N ALA A 11 -10.760 15.269 11.337 1.00 14.64 N ATOM 79 CA ALA A 11 -10.458 14.389 12.465 1.00 15.70 C ATOM 80 C ALA A 11 -10.572 15.118 13.792 1.00 15.70 C ATOM 81 O ALA A 11 -11.106 14.626 14.780 1.00 15.52 O ATOM 82 CB ALA A 11 -9.073 13.794 12.274 1.00 17.40 C ATOM 83 N MET A 12 -9.984 16.327 13.799 1.00 14.14 N ATOM 84 CA MET A 12 -10.053 17.189 14.978 1.00 14.62 C ATOM 85 C MET A 12 -11.494 17.553 15.336 1.00 15.86 C ATOM 86 O MET A 12 -11.829 17.508 16.505 1.00 16.32 O ATOM 87 CB MET A 12 -9.268 18.475 14.742 1.00 15.01 C ATOM 88 CG MET A 12 -7.763 18.206 14.809 1.00 13.33 C ATOM 89 SD MET A 12 -6.840 19.722 14.431 1.00 12.91 S ATOM 90 CE MET A 12 -5.352 19.364 15.355 1.00 16.71 C ATOM 91 N LYS A 13 -12.298 17.858 14.318 1.00 15.42 N ATOM 92 CA LYS A 13 -13.705 18.186 14.557 1.00 15.76 C ATOM 93 C LYS A 13 -14.460 16.954 15.057 1.00 16.81 C ATOM 94 O LYS A 13 -15.206 17.039 16.042 1.00 17.14 O ATOM 95 CB LYS A 13 -14.333 18.675 13.250 1.00 14.49 C ATOM 96 CG LYS A 13 -15.814 19.057 13.415 1.00 15.69 C ATOM 97 CD LYS A 13 -16.288 19.603 12.064 1.00 19.90 C ATOM 98 CE LYS A 13 -17.760 20.006 12.201 1.00 29.11 C ATOM 99 NZ LYS A 13 -18.275 20.550 10.912 1.00 32.38 N ATOM 100 N ARG A 14 -14.176 15.801 14.446 1.00 17.07 N ATOM 101 CA ARG A 14 -14.889 14.602 14.941 1.00 16.60 C ATOM 102 C ARG A 14 -14.581 14.313 16.402 1.00 17.29 C ATOM 103 O ARG A 14 -15.463 13.906 17.184 1.00 16.75 O ATOM 104 CB AARG A 14 -14.605 13.371 14.082 0.50 16.07 C ATOM 105 CB BARG A 14 -14.553 13.417 14.033 0.50 19.58 C ATOM 106 CG AARG A 14 -15.192 12.096 14.704 0.50 19.04 C ATOM 107 CG BARG A 14 -15.114 12.109 14.566 0.50 26.17 C ATOM 108 CD AARG A 14 -15.005 10.934 13.737 0.50 18.21 C ATOM 109 CD BARG A 14 -14.728 10.947 13.663 0.50 30.80 C ATOM 110 NE AARG A 14 -13.651 10.968 13.222 0.50 10.74 N ATOM 111 NE BARG A 14 -14.363 9.812 14.504 0.50 33.11 N ATOM 112 CZ AARG A 14 -12.569 10.399 13.707 0.50 12.39 C ATOM 113 CZ BARG A 14 -13.122 9.501 14.851 0.50 33.04 C ATOM 114 NH1AARG A 14 -12.566 9.620 14.789 0.50 17.90 N ATOM 115 NH1BARG A 14 -12.093 10.215 14.408 0.50 36.74 N ATOM 116 NH2AARG A 14 -11.479 10.640 13.006 0.50 7.03 N ATOM 117 NH2BARG A 14 -12.884 8.455 15.623 0.50 33.50 N ATOM 118 N HIS A 15 -13.353 14.586 16.819 1.00 16.36 N ATOM 119 CA HIS A 15 -12.914 14.403 18.184 1.00 15.95 C ATOM 120 C HIS A 15 -13.228 15.565 19.114 1.00 17.32 C ATOM 121 O HIS A 15 -12.716 15.564 20.246 1.00 17.87 O ATOM 122 CB HIS A 15 -11.414 14.123 18.193 1.00 18.12 C ATOM 123 CG HIS A 15 -11.023 12.748 17.764 1.00 19.90 C ATOM 124 ND1 HIS A 15 -10.327 12.406 16.647 1.00 24.89 N ATOM 125 CD2 HIS A 15 -11.297 11.583 18.430 1.00 20.42 C ATOM 126 CE1 HIS A 15 -10.156 11.089 16.614 1.00 20.82 C ATOM 127 NE2 HIS A 15 -10.745 10.579 17.674 1.00 24.48 N ATOM 128 N GLY A 16 -14.017 16.535 18.687 1.00 16.73 N ATOM 129 CA GLY A 16 -14.489 17.587 19.538 1.00 18.49 C ATOM 130 C GLY A 16 -13.547 18.729 19.839 1.00 18.36 C ATOM 131 O GLY A 16 -13.769 19.385 20.858 1.00 19.10 O ATOM 132 N LEU A 17 -12.597 19.017 18.948 1.00 17.90 N ATOM 133 CA LEU A 17 -11.750 20.183 19.211 1.00 19.00 C ATOM 134 C LEU A 17 -12.327 21.493 18.706 1.00 19.55 C ATOM 135 O LEU A 17 -11.875 22.550 19.160 1.00 18.56 O ATOM 136 CB LEU A 17 -10.361 20.033 18.589 1.00 17.64 C ATOM 137 CG LEU A 17 -9.332 19.205 19.310 1.00 18.62 C ATOM 138 CD1 LEU A 17 -8.019 19.267 18.531 1.00 15.31 C ATOM 139 CD2 LEU A 17 -9.085 19.671 20.751 1.00 16.33 C ATOM 140 N ASP A 18 -13.239 21.485 17.731 1.00 19.98 N ATOM 141 CA ASP A 18 -13.802 22.728 17.200 1.00 21.21 C ATOM 142 C ASP A 18 -14.550 23.446 18.318 1.00 21.85 C ATOM 143 O ASP A 18 -15.519 22.940 18.867 1.00 23.12 O ATOM 144 CB ASP A 18 -14.740 22.516 16.018 1.00 21.68 C ATOM 145 CG ASP A 18 -15.187 23.744 15.260 1.00 27.36 C ATOM 146 OD1 ASP A 18 -14.740 24.890 15.491 1.00 27.43 O ATOM 147 OD2 ASP A 18 -16.029 23.598 14.321 1.00 27.84 O ATOM 148 N ASN A 19 -14.064 24.621 18.681 1.00 20.27 N ATOM 149 CA ASN A 19 -14.573 25.444 19.745 1.00 19.44 C ATOM 150 C ASN A 19 -14.302 24.888 21.139 1.00 17.76 C ATOM 151 O ASN A 19 -14.917 25.354 22.109 1.00 17.54 O ATOM 152 CB ASN A 19 -16.067 25.777 19.565 1.00 27.45 C ATOM 153 CG ASN A 19 -16.236 26.636 18.314 1.00 38.17 C ATOM 154 OD1 ASN A 19 -15.606 27.696 18.245 1.00 45.03 O ATOM 155 ND2 ASN A 19 -17.045 26.157 17.377 1.00 42.07 N ATOM 156 N TYR A 20 -13.343 23.983 21.279 1.00 16.42 N ATOM 157 CA TYR A 20 -12.977 23.461 22.590 1.00 16.85 C ATOM 158 C TYR A 20 -12.221 24.550 23.355 1.00 16.62 C ATOM 159 O TYR A 20 -11.306 25.193 22.847 1.00 15.80 O ATOM 160 CB TYR A 20 -12.125 22.207 22.508 1.00 16.39 C ATOM 161 CG TYR A 20 -11.974 21.587 23.884 1.00 16.50 C ATOM 162 CD1 TYR A 20 -12.947 20.683 24.321 1.00 16.56 C ATOM 163 CD2 TYR A 20 -10.897 21.865 24.695 1.00 16.61 C ATOM 164 CE1 TYR A 20 -12.830 20.105 25.580 1.00 18.24 C ATOM 165 CE2 TYR A 20 -10.781 21.285 25.949 1.00 17.87 C ATOM 166 CZ TYR A 20 -11.754 20.408 26.376 1.00 19.79 C ATOM 167 OH TYR A 20 -11.630 19.839 27.620 1.00 21.37 O ATOM 168 N ARG A 21 -12.755 24.874 24.537 1.00 15.91 N ATOM 169 CA ARG A 21 -12.219 25.991 25.333 1.00 16.69 C ATOM 170 C ARG A 21 -12.302 27.296 24.546 1.00 15.91 C ATOM 171 O ARG A 21 -11.558 28.240 24.789 1.00 15.76 O ATOM 172 CB ARG A 21 -10.805 25.757 25.837 1.00 19.57 C ATOM 173 CG ARG A 21 -10.632 24.645 26.847 1.00 28.39 C ATOM 174 CD ARG A 21 -11.453 24.827 28.105 1.00 39.22 C ATOM 175 NE ARG A 21 -10.800 25.644 29.118 1.00 42.28 N ATOM 176 CZ ARG A 21 -10.843 25.332 30.417 1.00 45.46 C ATOM 177 NH1 ARG A 21 -10.239 26.099 31.317 1.00 46.44 N ATOM 178 NH2 ARG A 21 -11.467 24.242 30.853 1.00 45.99 N ATOM 179 N GLY A 22 -13.245 27.394 23.609 1.00 15.41 N ATOM 180 CA GLY A 22 -13.517 28.540 22.795 1.00 14.49 C ATOM 181 C GLY A 22 -12.600 28.705 21.595 1.00 14.19 C ATOM 182 O GLY A 22 -12.656 29.762 20.970 1.00 15.22 O ATOM 183 N TYR A 23 -11.769 27.707 21.306 1.00 14.34 N ATOM 184 CA TYR A 23 -10.841 27.843 20.178 1.00 14.12 C ATOM 185 C TYR A 23 -11.398 27.187 18.912 1.00 13.63 C ATOM 186 O TYR A 23 -11.617 25.979 18.891 1.00 14.94 O ATOM 187 CB TYR A 23 -9.497 27.215 20.564 1.00 13.40 C ATOM 188 CG TYR A 23 -8.754 28.070 21.578 1.00 12.80 C ATOM 189 CD1 TYR A 23 -7.970 29.120 21.154 1.00 12.01 C ATOM 190 CD2 TYR A 23 -8.842 27.789 22.936 1.00 13.06 C ATOM 191 CE1 TYR A 23 -7.297 29.926 22.057 1.00 12.42 C ATOM 192 CE2 TYR A 23 -8.167 28.586 23.861 1.00 12.92 C ATOM 193 CZ TYR A 23 -7.415 29.654 23.408 1.00 13.15 C ATOM 194 OH TYR A 23 -6.718 30.463 24.271 1.00 12.84 O ATOM 195 N SER A 24 -11.608 27.999 17.875 1.00 13.73 N ATOM 196 CA SER A 24 -12.187 27.470 16.639 1.00 14.62 C ATOM 197 C SER A 24 -11.267 26.481 15.954 1.00 14.51 C ATOM 198 O SER A 24 -10.041 26.459 16.147 1.00 14.88 O ATOM 199 CB SER A 24 -12.515 28.626 15.682 1.00 14.56 C ATOM 200 OG SER A 24 -11.284 29.222 15.269 1.00 15.71 O ATOM 201 N LEU A 25 -11.858 25.652 15.090 1.00 14.36 N ATOM 202 CA LEU A 25 -11.079 24.612 14.399 1.00 13.88 C ATOM 203 C LEU A 25 -9.836 25.105 13.693 1.00 13.76 C ATOM 204 O LEU A 25 -8.794 24.415 13.751 1.00 12.85 O ATOM 205 CB LEU A 25 -11.992 23.868 13.427 1.00 14.00 C ATOM 206 CG LEU A 25 -11.458 22.596 12.769 1.00 14.02 C ATOM 207 CD1 LEU A 25 -11.122 21.576 13.850 1.00 17.04 C ATOM 208 CD2 LEU A 25 -12.485 22.005 11.804 1.00 14.38 C ATOM 209 N GLY A 26 -9.880 26.275 13.073 1.00 13.52 N ATOM 210 CA GLY A 26 -8.736 26.834 12.357 1.00 13.74 C ATOM 211 C GLY A 26 -7.548 27.066 13.283 1.00 12.49 C ATOM 212 O GLY A 26 -6.398 26.967 12.868 1.00 12.78 O ATOM 213 N ASN A 27 -7.795 27.451 14.531 1.00 12.27 N ATOM 214 CA ASN A 27 -6.702 27.584 15.498 1.00 11.78 C ATOM 215 C ASN A 27 -5.942 26.275 15.715 1.00 13.00 C ATOM 216 O ASN A 27 -4.711 26.313 15.789 1.00 12.58 O ATOM 217 CB ASN A 27 -7.248 28.040 16.859 1.00 11.61 C ATOM 218 CG ASN A 27 -7.491 29.541 16.837 1.00 14.37 C ATOM 219 OD1 ASN A 27 -6.564 30.355 16.873 1.00 13.63 O ATOM 220 ND2 ASN A 27 -8.762 29.922 16.777 1.00 13.86 N ATOM 221 N TRP A 28 -6.679 25.170 15.848 1.00 12.57 N ATOM 222 CA TRP A 28 -6.039 23.870 16.062 1.00 12.05 C ATOM 223 C TRP A 28 -5.310 23.366 14.831 1.00 12.07 C ATOM 224 O TRP A 28 -4.234 22.756 14.919 1.00 12.53 O ATOM 225 CB TRP A 28 -7.118 22.850 16.456 1.00 14.11 C ATOM 226 CG TRP A 28 -7.754 23.223 17.773 1.00 11.68 C ATOM 227 CD1 TRP A 28 -8.971 23.792 17.986 1.00 12.85 C ATOM 228 CD2 TRP A 28 -7.169 22.999 19.062 1.00 14.15 C ATOM 229 NE1 TRP A 28 -9.186 23.948 19.342 1.00 12.86 N ATOM 230 CE2 TRP A 28 -8.082 23.465 20.012 1.00 12.97 C ATOM 231 CE3 TRP A 28 -5.961 22.440 19.481 1.00 14.04 C ATOM 232 CZ2 TRP A 28 -7.841 23.401 21.381 1.00 13.14 C ATOM 233 CZ3 TRP A 28 -5.709 22.383 20.855 1.00 13.88 C ATOM 234 CH2 TRP A 28 -6.650 22.855 21.788 1.00 14.45 C ATOM 235 N VAL A 29 -5.909 23.591 13.647 1.00 11.44 N ATOM 236 CA VAL A 29 -5.220 23.174 12.403 1.00 11.51 C ATOM 237 C VAL A 29 -3.963 24.005 12.219 1.00 11.97 C ATOM 238 O VAL A 29 -2.891 23.493 11.846 1.00 12.00 O ATOM 239 CB VAL A 29 -6.161 23.283 11.196 1.00 12.38 C ATOM 240 CG1 VAL A 29 -5.430 22.951 9.892 1.00 13.79 C ATOM 241 CG2 VAL A 29 -7.316 22.296 11.343 1.00 12.68 C ATOM 242 N CYS A 30 -4.066 25.328 12.467 1.00 11.38 N ATOM 243 CA CYS A 30 -2.893 26.198 12.355 1.00 11.20 C ATOM 244 C CYS A 30 -1.808 25.747 13.333 1.00 11.19 C ATOM 245 O CYS A 30 -0.625 25.665 12.969 1.00 10.49 O ATOM 246 CB CYS A 30 -3.314 27.648 12.667 1.00 12.47 C ATOM 247 SG CYS A 30 -1.972 28.859 12.483 1.00 11.06 S ATOM 248 N ALA A 31 -2.169 25.458 14.578 1.00 12.04 N ATOM 249 CA ALA A 31 -1.143 24.998 15.541 1.00 10.89 C ATOM 250 C ALA A 31 -0.474 23.723 15.055 1.00 11.75 C ATOM 251 O ALA A 31 0.765 23.580 15.117 1.00 12.20 O ATOM 252 CB ALA A 31 -1.829 24.727 16.876 1.00 12.94 C ATOM 253 N ALA A 32 -1.292 22.769 14.573 1.00 11.68 N ATOM 254 CA ALA A 32 -0.693 21.528 14.060 1.00 11.94 C ATOM 255 C ALA A 32 0.209 21.764 12.857 1.00 11.76 C ATOM 256 O ALA A 32 1.283 21.132 12.708 1.00 10.64 O ATOM 257 CB ALA A 32 -1.797 20.522 13.726 1.00 10.36 C ATOM 258 N LYS A 33 -0.149 22.685 11.966 1.00 11.49 N ATOM 259 CA LYS A 33 0.725 22.960 10.821 1.00 11.83 C ATOM 260 C LYS A 33 2.108 23.410 11.294 1.00 12.00 C ATOM 261 O LYS A 33 3.114 22.907 10.788 1.00 12.88 O ATOM 262 CB LYS A 33 0.087 24.057 9.964 1.00 13.47 C ATOM 263 CG LYS A 33 1.056 24.658 8.925 1.00 17.22 C ATOM 264 CD LYS A 33 1.245 23.642 7.826 1.00 17.45 C ATOM 265 CE LYS A 33 2.151 24.131 6.708 1.00 23.72 C ATOM 266 NZ LYS A 33 2.264 23.054 5.675 1.00 23.82 N ATOM 267 N PHE A 34 2.132 24.372 12.228 1.00 12.51 N ATOM 268 CA PHE A 34 3.432 24.902 12.635 1.00 12.30 C ATOM 269 C PHE A 34 4.122 24.074 13.700 1.00 14.82 C ATOM 270 O PHE A 34 5.365 24.183 13.832 1.00 15.60 O ATOM 271 CB PHE A 34 3.326 26.388 13.004 1.00 11.76 C ATOM 272 CG PHE A 34 2.881 27.201 11.807 1.00 12.09 C ATOM 273 CD1 PHE A 34 3.602 27.148 10.633 1.00 11.72 C ATOM 274 CD2 PHE A 34 1.749 28.003 11.912 1.00 13.88 C ATOM 275 CE1 PHE A 34 3.183 27.906 9.547 1.00 12.51 C ATOM 276 CE2 PHE A 34 1.352 28.756 10.802 1.00 16.14 C ATOM 277 CZ PHE A 34 2.071 28.700 9.622 1.00 15.05 C ATOM 278 N GLU A 35 3.381 23.215 14.383 1.00 13.40 N ATOM 279 CA GLU A 35 4.074 22.368 15.373 1.00 13.41 C ATOM 280 C GLU A 35 4.676 21.148 14.682 1.00 13.91 C ATOM 281 O GLU A 35 5.832 20.751 14.982 1.00 14.32 O ATOM 282 CB GLU A 35 3.070 21.947 16.444 1.00 15.49 C ATOM 283 CG GLU A 35 2.661 23.063 17.392 1.00 11.90 C ATOM 284 CD GLU A 35 3.765 23.547 18.292 1.00 13.50 C ATOM 285 OE1 GLU A 35 4.922 23.044 18.283 1.00 13.70 O ATOM 286 OE2 GLU A 35 3.505 24.506 19.059 1.00 13.45 O ATOM 287 N SER A 36 3.941 20.534 13.780 1.00 12.23 N ATOM 288 CA SER A 36 4.390 19.254 13.204 1.00 12.91 C ATOM 289 C SER A 36 4.329 19.098 11.705 1.00 12.45 C ATOM 290 O SER A 36 4.678 18.049 11.134 1.00 13.32 O ATOM 291 CB SER A 36 3.502 18.133 13.804 1.00 13.38 C ATOM 292 OG SER A 36 2.181 18.269 13.290 1.00 10.74 O ATOM 293 N ASN A 37 3.854 20.129 10.988 1.00 12.49 N ATOM 294 CA ASN A 37 3.615 20.082 9.549 1.00 13.68 C ATOM 295 C ASN A 37 2.656 18.941 9.240 1.00 14.00 C ATOM 296 O ASN A 37 2.744 18.236 8.231 1.00 15.39 O ATOM 297 CB ASN A 37 4.930 19.967 8.757 1.00 18.52 C ATOM 298 CG ASN A 37 4.716 20.501 7.350 1.00 22.16 C ATOM 299 OD1 ASN A 37 3.785 21.280 7.100 1.00 21.09 O ATOM 300 ND2 ASN A 37 5.538 20.074 6.398 1.00 26.09 N ATOM 301 N PHE A 38 1.731 18.672 10.155 1.00 13.56 N ATOM 302 CA PHE A 38 0.697 17.656 10.084 1.00 13.00 C ATOM 303 C PHE A 38 1.234 16.225 10.124 1.00 13.56 C ATOM 304 O PHE A 38 0.509 15.288 9.757 1.00 12.49 O ATOM 305 CB PHE A 38 -0.190 17.839 8.843 1.00 12.15 C ATOM 306 CG PHE A 38 -0.837 19.176 8.625 1.00 12.14 C ATOM 307 CD1 PHE A 38 -1.334 19.904 9.707 1.00 12.74 C ATOM 308 CD2 PHE A 38 -1.006 19.707 7.362 1.00 15.83 C ATOM 309 CE1 PHE A 38 -1.971 21.115 9.523 1.00 13.21 C ATOM 310 CE2 PHE A 38 -1.628 20.932 7.167 1.00 13.63 C ATOM 311 CZ PHE A 38 -2.108 21.642 8.244 1.00 11.31 C ATOM 312 N ASN A 39 2.425 16.019 10.647 1.00 12.73 N ATOM 313 CA ASN A 39 3.057 14.703 10.693 1.00 13.15 C ATOM 314 C ASN A 39 2.880 14.089 12.072 1.00 13.12 C ATOM 315 O ASN A 39 3.511 14.608 12.999 1.00 13.52 O ATOM 316 CB ASN A 39 4.560 14.891 10.367 1.00 14.57 C ATOM 317 CG ASN A 39 5.283 13.574 10.147 1.00 12.98 C ATOM 318 OD1 ASN A 39 4.798 12.490 10.526 1.00 14.00 O ATOM 319 ND2 ASN A 39 6.460 13.625 9.527 1.00 18.03 N ATOM 320 N THR A 40 2.119 12.994 12.206 1.00 12.50 N ATOM 321 CA THR A 40 1.926 12.378 13.523 1.00 11.76 C ATOM 322 C THR A 40 3.229 11.877 14.100 1.00 11.93 C ATOM 323 O THR A 40 3.307 11.749 15.328 1.00 12.52 O ATOM 324 CB THR A 40 0.924 11.200 13.545 1.00 12.79 C ATOM 325 OG1 THR A 40 1.454 10.162 12.692 1.00 15.08 O ATOM 326 CG2 THR A 40 -0.403 11.617 12.942 1.00 12.99 C ATOM 327 N GLN A 41 4.250 11.576 13.262 1.00 11.70 N ATOM 328 CA GLN A 41 5.483 11.044 13.837 1.00 12.34 C ATOM 329 C GLN A 41 6.518 12.075 14.245 1.00 11.82 C ATOM 330 O GLN A 41 7.584 11.718 14.754 1.00 13.25 O ATOM 331 CB GLN A 41 6.174 10.063 12.860 1.00 15.60 C ATOM 332 CG GLN A 41 5.230 8.963 12.391 1.00 12.40 C ATOM 333 CD GLN A 41 6.001 7.840 11.713 1.00 17.63 C ATOM 334 OE1 GLN A 41 6.727 7.100 12.379 1.00 17.30 O ATOM 335 NE2 GLN A 41 5.843 7.696 10.400 1.00 13.89 N ATOM 336 N ALA A 42 6.243 13.367 14.167 1.00 11.78 N ATOM 337 CA ALA A 42 7.211 14.384 14.519 1.00 11.40 C ATOM 338 C ALA A 42 7.629 14.331 15.979 1.00 11.97 C ATOM 339 O ALA A 42 6.803 14.286 16.876 1.00 12.76 O ATOM 340 CB ALA A 42 6.578 15.751 14.239 1.00 12.23 C ATOM 341 N THR A 43 8.932 14.400 16.226 1.00 12.73 N ATOM 342 CA THR A 43 9.476 14.479 17.574 1.00 13.87 C ATOM 343 C THR A 43 10.562 15.543 17.560 1.00 13.42 C ATOM 344 O THR A 43 11.305 15.720 16.573 1.00 13.86 O ATOM 345 CB THR A 43 10.100 13.177 18.096 1.00 16.26 C ATOM 346 OG1 THR A 43 11.200 12.864 17.215 1.00 15.72 O ATOM 347 CG2 THR A 43 9.134 12.007 18.135 1.00 15.56 C ATOM 348 N ASN A 44 10.630 16.391 18.589 1.00 13.63 N ATOM 349 CA ASN A 44 11.650 17.442 18.631 1.00 13.86 C ATOM 350 C ASN A 44 12.122 17.624 20.068 1.00 14.83 C ATOM 351 O ASN A 44 11.317 17.774 20.992 1.00 15.66 O ATOM 352 CB ASN A 44 11.120 18.781 18.095 1.00 15.14 C ATOM 353 CG ASN A 44 10.877 18.740 16.597 1.00 17.51 C ATOM 354 OD1 ASN A 44 11.845 18.675 15.819 1.00 20.30 O ATOM 355 ND2 ASN A 44 9.630 18.683 16.131 1.00 16.80 N ATOM 356 N ARG A 45 13.438 17.530 20.284 1.00 15.87 N ATOM 357 CA ARG A 45 14.004 17.690 21.624 1.00 16.06 C ATOM 358 C ARG A 45 14.037 19.160 22.016 1.00 17.54 C ATOM 359 O ARG A 45 14.365 20.027 21.213 1.00 18.09 O ATOM 360 CB ARG A 45 15.444 17.174 21.659 1.00 19.49 C ATOM 361 CG ARG A 45 15.986 16.903 23.059 1.00 15.81 C ATOM 362 CD ARG A 45 15.351 15.624 23.557 1.00 25.18 C ATOM 363 NE ARG A 45 15.791 15.165 24.853 1.00 30.71 N ATOM 364 CZ ARG A 45 16.740 14.288 25.134 1.00 27.82 C ATOM 365 NH1 ARG A 45 16.949 14.025 26.418 1.00 28.93 N ATOM 366 NH2 ARG A 45 17.459 13.698 24.194 1.00 32.48 N ATOM 367 N ASN A 46 13.657 19.431 23.255 1.00 15.69 N ATOM 368 CA ASN A 46 13.691 20.783 23.795 1.00 17.20 C ATOM 369 C ASN A 46 15.029 20.983 24.514 1.00 17.91 C ATOM 370 O ASN A 46 15.658 20.013 24.936 1.00 18.81 O ATOM 371 CB ASN A 46 12.519 20.961 24.750 1.00 16.03 C ATOM 372 CG ASN A 46 11.176 20.724 24.095 1.00 21.74 C ATOM 373 OD1 ASN A 46 10.355 20.003 24.672 1.00 21.91 O ATOM 374 ND2 ASN A 46 10.921 21.249 22.907 1.00 22.89 N ATOM 375 N THR A 47 15.412 22.248 24.690 1.00 19.67 N ATOM 376 CA THR A 47 16.650 22.563 25.388 1.00 20.37 C ATOM 377 C THR A 47 16.661 22.100 26.826 1.00 20.76 C ATOM 378 O THR A 47 17.751 21.780 27.305 1.00 21.54 O ATOM 379 CB THR A 47 16.977 24.075 25.381 1.00 27.12 C ATOM 380 OG1 THR A 47 15.949 24.786 26.076 1.00 29.45 O ATOM 381 CG2 THR A 47 17.076 24.563 23.946 1.00 28.33 C ATOM 382 N ASP A 48 15.521 21.993 27.506 1.00 19.67 N ATOM 383 CA ASP A 48 15.483 21.544 28.883 1.00 19.14 C ATOM 384 C ASP A 48 15.563 20.034 28.998 1.00 19.12 C ATOM 385 O ASP A 48 15.589 19.516 30.124 1.00 19.76 O ATOM 386 CB ASP A 48 14.246 22.078 29.607 1.00 17.48 C ATOM 387 CG ASP A 48 12.955 21.486 29.106 1.00 17.83 C ATOM 388 OD1 ASP A 48 12.996 20.605 28.218 1.00 14.85 O ATOM 389 OD2 ASP A 48 11.863 21.869 29.585 1.00 24.15 O ATOM 390 N GLY A 49 15.711 19.316 27.891 1.00 16.97 N ATOM 391 CA GLY A 49 15.866 17.879 27.811 1.00 18.17 C ATOM 392 C GLY A 49 14.575 17.108 27.667 1.00 16.79 C ATOM 393 O GLY A 49 14.613 15.879 27.552 1.00 17.78 O ATOM 394 N SER A 50 13.456 17.808 27.703 1.00 15.19 N ATOM 395 CA SER A 50 12.179 17.114 27.463 1.00 14.12 C ATOM 396 C SER A 50 12.089 17.004 25.937 1.00 13.24 C ATOM 397 O SER A 50 12.954 17.499 25.220 1.00 12.87 O ATOM 398 CB SER A 50 11.011 17.906 28.039 1.00 13.16 C ATOM 399 OG SER A 50 10.981 19.180 27.409 1.00 14.96 O ATOM 400 N THR A 51 11.073 16.286 25.464 1.00 12.78 N ATOM 401 CA THR A 51 10.840 16.154 24.027 1.00 12.79 C ATOM 402 C THR A 51 9.358 16.419 23.758 1.00 13.79 C ATOM 403 O THR A 51 8.476 16.143 24.560 1.00 13.23 O ATOM 404 CB THR A 51 11.225 14.746 23.565 1.00 12.34 C ATOM 405 OG1 THR A 51 12.596 14.522 23.941 1.00 12.44 O ATOM 406 CG2 THR A 51 11.125 14.569 22.049 1.00 11.50 C ATOM 407 N ASP A 52 9.112 16.974 22.558 1.00 13.36 N ATOM 408 CA ASP A 52 7.751 17.230 22.092 1.00 13.27 C ATOM 409 C ASP A 52 7.365 16.138 21.098 1.00 13.99 C ATOM 410 O ASP A 52 8.178 15.768 20.247 1.00 13.69 O ATOM 411 CB ASP A 52 7.683 18.589 21.393 1.00 12.91 C ATOM 412 CG ASP A 52 7.711 19.765 22.352 1.00 17.41 C ATOM 413 OD1 ASP A 52 7.632 19.600 23.577 1.00 16.32 O ATOM 414 OD2 ASP A 52 7.798 20.897 21.821 1.00 19.54 O ATOM 415 N TYR A 53 6.158 15.613 21.221 1.00 12.70 N ATOM 416 CA TYR A 53 5.712 14.497 20.407 1.00 13.43 C ATOM 417 C TYR A 53 4.401 14.713 19.667 1.00 12.80 C ATOM 418 O TYR A 53 3.406 15.217 20.192 1.00 12.87 O ATOM 419 CB TYR A 53 5.450 13.272 21.328 1.00 12.20 C ATOM 420 CG TYR A 53 6.689 12.771 22.032 1.00 11.53 C ATOM 421 CD1 TYR A 53 7.102 13.340 23.220 1.00 12.21 C ATOM 422 CD2 TYR A 53 7.467 11.756 21.459 1.00 11.27 C ATOM 423 CE1 TYR A 53 8.252 12.936 23.865 1.00 11.70 C ATOM 424 CE2 TYR A 53 8.616 11.324 22.109 1.00 10.80 C ATOM 425 CZ TYR A 53 8.993 11.921 23.294 1.00 11.40 C ATOM 426 OH TYR A 53 10.141 11.462 23.916 1.00 12.14 O ATOM 427 N GLY A 54 4.377 14.261 18.409 1.00 12.80 N ATOM 428 CA GLY A 54 3.196 14.149 17.611 1.00 12.45 C ATOM 429 C GLY A 54 2.718 15.409 16.911 1.00 13.24 C ATOM 430 O GLY A 54 3.387 16.440 16.830 1.00 13.19 O ATOM 431 N ILE A 55 1.486 15.260 16.431 1.00 13.98 N ATOM 432 CA ILE A 55 0.824 16.315 15.662 1.00 13.71 C ATOM 433 C ILE A 55 0.709 17.642 16.380 1.00 13.72 C ATOM 434 O ILE A 55 0.733 18.679 15.723 1.00 13.06 O ATOM 435 CB ILE A 55 -0.576 15.788 15.267 1.00 18.90 C ATOM 436 CG1 ILE A 55 -1.272 16.703 14.258 1.00 28.94 C ATOM 437 CG2 ILE A 55 -1.474 15.532 16.462 1.00 18.47 C ATOM 438 CD1 ILE A 55 -1.143 16.136 12.863 1.00 28.28 C ATOM 439 N LEU A 56 0.579 17.637 17.707 1.00 13.89 N ATOM 440 CA LEU A 56 0.511 18.878 18.464 1.00 13.26 C ATOM 441 C LEU A 56 1.725 19.033 19.378 1.00 13.84 C ATOM 442 O LEU A 56 1.693 19.885 20.266 1.00 13.70 O ATOM 443 CB LEU A 56 -0.827 18.980 19.231 1.00 12.22 C ATOM 444 CG LEU A 56 -2.019 19.308 18.290 1.00 15.11 C ATOM 445 CD1 LEU A 56 -3.361 19.027 18.947 1.00 14.40 C ATOM 446 CD2 LEU A 56 -1.915 20.769 17.881 1.00 15.30 C ATOM 447 N GLN A 57 2.833 18.326 19.115 1.00 12.52 N ATOM 448 CA GLN A 57 4.075 18.517 19.860 1.00 11.86 C ATOM 449 C GLN A 57 3.842 18.671 21.366 1.00 12.75 C ATOM 450 O GLN A 57 4.323 19.608 22.010 1.00 12.81 O ATOM 451 CB GLN A 57 4.851 19.723 19.275 1.00 9.79 C ATOM 452 CG GLN A 57 5.344 19.423 17.837 1.00 10.50 C ATOM 453 CD GLN A 57 6.463 18.397 17.841 1.00 10.63 C ATOM 454 OE1 GLN A 57 7.624 18.760 18.077 1.00 12.76 O ATOM 455 NE2 GLN A 57 6.128 17.130 17.594 1.00 11.89 N ATOM 456 N ILE A 58 3.269 17.611 21.925 1.00 12.44 N ATOM 457 CA ILE A 58 2.960 17.556 23.365 1.00 12.03 C ATOM 458 C ILE A 58 4.248 17.218 24.098 1.00 13.00 C ATOM 459 O ILE A 58 4.979 16.309 23.699 1.00 12.27 O ATOM 460 CB ILE A 58 1.821 16.541 23.558 1.00 14.33 C ATOM 461 CG1 ILE A 58 0.551 17.172 22.943 1.00 15.72 C ATOM 462 CG2 ILE A 58 1.640 16.227 25.037 1.00 16.30 C ATOM 463 CD1 ILE A 58 -0.623 16.207 22.939 1.00 19.58 C ATOM 464 N ASN A 59 4.548 17.977 25.152 1.00 13.56 N ATOM 465 CA ASN A 59 5.821 17.864 25.841 1.00 15.06 C ATOM 466 C ASN A 59 5.887 16.861 26.975 1.00 15.66 C ATOM 467 O ASN A 59 4.961 16.744 27.761 1.00 17.53 O ATOM 468 CB ASN A 59 6.186 19.261 26.397 1.00 16.59 C ATOM 469 CG ASN A 59 7.634 19.275 26.857 1.00 21.97 C ATOM 470 OD1 ASN A 59 7.946 19.352 28.033 1.00 34.80 O ATOM 471 ND2 ASN A 59 8.538 19.171 25.898 1.00 37.21 N ATOM 472 N SER A 60 7.014 16.173 27.092 1.00 14.88 N ATOM 473 CA SER A 60 7.243 15.161 28.096 1.00 15.86 C ATOM 474 C SER A 60 7.554 15.763 29.460 1.00 17.19 C ATOM 475 O SER A 60 7.489 14.998 30.402 1.00 19.11 O ATOM 476 CB SER A 60 8.384 14.251 27.630 1.00 11.55 C ATOM 477 OG SER A 60 9.605 14.993 27.628 1.00 14.76 O ATOM 478 N ARG A 61 7.798 17.058 29.591 1.00 17.46 N ATOM 479 CA ARG A 61 8.065 17.598 30.938 1.00 18.93 C ATOM 480 C ARG A 61 6.808 17.516 31.793 1.00 19.51 C ATOM 481 O ARG A 61 6.933 17.252 32.986 1.00 21.21 O ATOM 482 CB ARG A 61 8.588 19.033 30.897 1.00 25.26 C ATOM 483 CG ARG A 61 8.782 19.586 32.321 1.00 31.29 C ATOM 484 CD ARG A 61 9.980 20.503 32.391 1.00 40.32 C ATOM 485 NE ARG A 61 11.186 19.943 31.814 1.00 46.29 N ATOM 486 CZ ARG A 61 11.997 19.039 32.347 1.00 46.51 C ATOM 487 NH1 ARG A 61 11.764 18.517 33.548 1.00 44.12 N ATOM 488 NH2 ARG A 61 13.064 18.664 31.652 1.00 43.34 N ATOM 489 N TRP A 62 5.631 17.705 31.194 1.00 17.36 N ATOM 490 CA TRP A 62 4.399 17.678 31.968 1.00 17.09 C ATOM 491 C TRP A 62 3.358 16.656 31.599 1.00 15.64 C ATOM 492 O TRP A 62 2.590 16.155 32.442 1.00 15.50 O ATOM 493 CB TRP A 62 3.670 19.047 31.794 1.00 21.49 C ATOM 494 CG TRP A 62 4.497 20.216 32.242 1.00 25.27 C ATOM 495 CD1 TRP A 62 5.185 21.093 31.451 1.00 31.43 C ATOM 496 CD2 TRP A 62 4.759 20.599 33.591 1.00 33.57 C ATOM 497 NE1 TRP A 62 5.848 22.013 32.235 1.00 36.44 N ATOM 498 CE2 TRP A 62 5.601 21.725 33.551 1.00 36.42 C ATOM 499 CE3 TRP A 62 4.349 20.092 34.830 1.00 37.32 C ATOM 500 CZ2 TRP A 62 6.046 22.359 34.713 1.00 40.44 C ATOM 501 CZ3 TRP A 62 4.793 20.720 35.982 1.00 43.37 C ATOM 502 CH2 TRP A 62 5.628 21.843 35.907 1.00 42.07 C ATOM 503 N TRP A 63 3.258 16.334 30.301 1.00 14.66 N ATOM 504 CA TRP A 63 2.100 15.607 29.826 1.00 14.06 C ATOM 505 C TRP A 63 2.159 14.148 29.490 1.00 13.80 C ATOM 506 O TRP A 63 1.127 13.484 29.588 1.00 15.16 O ATOM 507 CB TRP A 63 1.599 16.379 28.555 1.00 14.24 C ATOM 508 CG TRP A 63 1.403 17.834 28.890 1.00 14.30 C ATOM 509 CD1 TRP A 63 2.177 18.876 28.462 1.00 15.36 C ATOM 510 CD2 TRP A 63 0.406 18.376 29.768 1.00 14.38 C ATOM 511 NE1 TRP A 63 1.698 20.050 29.012 1.00 18.28 N ATOM 512 CE2 TRP A 63 0.641 19.763 29.823 1.00 14.74 C ATOM 513 CE3 TRP A 63 -0.642 17.810 30.498 1.00 16.06 C ATOM 514 CZ2 TRP A 63 -0.178 20.617 30.582 1.00 17.10 C ATOM 515 CZ3 TRP A 63 -1.447 18.660 31.251 1.00 16.14 C ATOM 516 CH2 TRP A 63 -1.188 20.033 31.276 1.00 16.87 C ATOM 517 N CYS A 64 3.290 13.629 29.038 1.00 14.24 N ATOM 518 CA CYS A 64 3.373 12.217 28.688 1.00 13.13 C ATOM 519 C CYS A 64 4.663 11.664 29.292 1.00 13.66 C ATOM 520 O CYS A 64 5.556 12.462 29.593 1.00 13.70 O ATOM 521 CB CYS A 64 3.288 11.987 27.168 1.00 12.35 C ATOM 522 SG CYS A 64 4.599 12.784 26.194 1.00 12.29 S ATOM 523 N ASN A 65 4.774 10.330 29.350 1.00 13.27 N ATOM 524 CA ASN A 65 6.002 9.742 29.846 1.00 13.40 C ATOM 525 C ASN A 65 6.882 9.167 28.736 1.00 13.11 C ATOM 526 O ASN A 65 6.375 8.371 27.945 1.00 13.38 O ATOM 527 CB ASN A 65 5.684 8.575 30.794 1.00 14.26 C ATOM 528 CG ASN A 65 7.000 7.953 31.257 1.00 17.69 C ATOM 529 OD1 ASN A 65 7.832 8.680 31.776 1.00 17.85 O ATOM 530 ND2 ASN A 65 7.136 6.661 31.000 1.00 23.06 N ATOM 531 N ASP A 66 8.147 9.621 28.713 1.00 13.15 N ATOM 532 CA ASP A 66 9.083 9.071 27.748 1.00 13.84 C ATOM 533 C ASP A 66 10.268 8.406 28.472 1.00 14.87 C ATOM 534 O ASP A 66 11.179 7.970 27.776 1.00 15.07 O ATOM 535 CB ASP A 66 9.574 10.065 26.715 1.00 13.01 C ATOM 536 CG ASP A 66 10.404 11.218 27.206 1.00 13.24 C ATOM 537 OD1 ASP A 66 10.750 11.247 28.386 1.00 15.15 O ATOM 538 OD2 ASP A 66 10.727 12.102 26.374 1.00 13.59 O ATOM 539 N GLY A 67 10.239 8.383 29.790 1.00 15.39 N ATOM 540 CA GLY A 67 11.305 7.739 30.551 1.00 17.01 C ATOM 541 C GLY A 67 12.650 8.402 30.525 1.00 18.70 C ATOM 542 O GLY A 67 13.612 7.852 31.110 1.00 20.29 O ATOM 543 N ARG A 68 12.809 9.558 29.903 1.00 17.00 N ATOM 544 CA ARG A 68 14.100 10.229 29.865 1.00 18.17 C ATOM 545 C ARG A 68 13.970 11.712 30.156 1.00 18.62 C ATOM 546 O ARG A 68 14.817 12.503 29.738 1.00 20.22 O ATOM 547 CB ARG A 68 14.741 9.969 28.507 1.00 16.63 C ATOM 548 CG ARG A 68 14.005 10.632 27.359 1.00 16.60 C ATOM 549 CD ARG A 68 14.949 10.573 26.145 1.00 15.25 C ATOM 550 NE ARG A 68 14.508 11.546 25.131 1.00 16.84 N ATOM 551 CZ ARG A 68 14.969 11.525 23.872 1.00 15.76 C ATOM 552 NH1 ARG A 68 15.890 10.645 23.489 1.00 19.00 N ATOM 553 NH2 ARG A 68 14.524 12.428 22.999 1.00 14.12 N ATOM 554 N THR A 69 12.930 12.114 30.881 1.00 18.96 N ATOM 555 CA THR A 69 12.768 13.533 31.244 1.00 20.03 C ATOM 556 C THR A 69 12.708 13.637 32.769 1.00 22.06 C ATOM 557 O THR A 69 11.642 13.550 33.361 1.00 20.67 O ATOM 558 CB THR A 69 11.506 14.116 30.601 1.00 17.21 C ATOM 559 OG1 THR A 69 11.494 13.791 29.185 1.00 14.31 O ATOM 560 CG2 THR A 69 11.431 15.633 30.715 1.00 14.59 C ATOM 561 N PRO A 70 13.852 13.725 33.424 1.00 24.14 N ATOM 562 CA PRO A 70 13.925 13.747 34.876 1.00 26.59 C ATOM 563 C PRO A 70 13.092 14.840 35.496 1.00 28.31 C ATOM 564 O PRO A 70 13.218 16.003 35.103 1.00 29.43 O ATOM 565 CB PRO A 70 15.401 14.033 35.176 1.00 27.24 C ATOM 566 CG PRO A 70 16.128 13.494 33.994 1.00 27.21 C ATOM 567 CD PRO A 70 15.212 13.768 32.830 1.00 25.98 C ATOM 568 N GLY A 71 12.286 14.461 36.483 1.00 28.93 N ATOM 569 CA GLY A 71 11.481 15.430 37.208 1.00 31.07 C ATOM 570 C GLY A 71 10.126 15.591 36.537 1.00 31.15 C ATOM 571 O GLY A 71 9.428 16.510 36.929 1.00 32.49 O ATOM 572 N SER A 72 9.815 14.734 35.580 1.00 31.97 N ATOM 573 CA SER A 72 8.623 14.778 34.807 1.00 31.32 C ATOM 574 C SER A 72 7.342 14.229 35.404 1.00 30.17 C ATOM 575 O SER A 72 7.224 13.288 36.175 1.00 29.68 O ATOM 576 CB SER A 72 8.817 14.005 33.463 1.00 30.95 C ATOM 577 OG SER A 72 9.225 14.976 32.522 1.00 48.38 O ATOM 578 N ARG A 73 6.301 14.928 34.927 1.00 28.57 N ATOM 579 CA ARG A 73 4.945 14.519 35.239 1.00 26.37 C ATOM 580 C ARG A 73 4.482 13.901 33.921 1.00 25.15 C ATOM 581 O ARG A 73 5.115 14.064 32.857 1.00 25.87 O ATOM 582 CB ARG A 73 4.110 15.689 35.739 1.00 25.25 C ATOM 583 CG ARG A 73 4.725 16.369 36.972 1.00 30.81 C ATOM 584 CD ARG A 73 4.540 15.496 38.207 1.00 34.64 C ATOM 585 NE ARG A 73 3.151 15.213 38.537 1.00 43.61 N ATOM 586 CZ ARG A 73 2.303 15.981 39.205 1.00 46.83 C ATOM 587 NH1 ARG A 73 2.710 17.159 39.668 1.00 49.43 N ATOM 588 NH2 ARG A 73 1.052 15.592 39.424 1.00 50.26 N ATOM 589 N ASN A 74 3.422 13.169 34.011 1.00 22.41 N ATOM 590 CA ASN A 74 2.720 12.476 32.956 1.00 18.90 C ATOM 591 C ASN A 74 1.230 12.741 33.232 1.00 18.51 C ATOM 592 O ASN A 74 0.479 11.826 33.539 1.00 17.69 O ATOM 593 CB ASN A 74 3.052 10.981 33.053 1.00 15.23 C ATOM 594 CG ASN A 74 2.375 10.143 32.010 1.00 17.61 C ATOM 595 OD1 ASN A 74 1.812 10.710 31.047 1.00 16.53 O ATOM 596 ND2 ASN A 74 2.432 8.834 32.130 1.00 17.98 N ATOM 597 N LEU A 75 0.849 14.011 33.069 1.00 17.76 N ATOM 598 CA LEU A 75 -0.548 14.370 33.362 1.00 18.17 C ATOM 599 C LEU A 75 -1.597 13.800 32.447 1.00 17.60 C ATOM 600 O LEU A 75 -2.780 13.699 32.869 1.00 17.69 O ATOM 601 CB LEU A 75 -0.666 15.895 33.476 1.00 20.05 C ATOM 602 CG LEU A 75 0.161 16.474 34.639 1.00 22.89 C ATOM 603 CD1 LEU A 75 0.201 17.987 34.532 1.00 24.89 C ATOM 604 CD2 LEU A 75 -0.371 16.009 35.979 1.00 26.46 C ATOM 605 N CYS A 76 -1.279 13.397 31.211 1.00 16.50 N ATOM 606 CA CYS A 76 -2.239 12.752 30.338 1.00 16.72 C ATOM 607 C CYS A 76 -2.246 11.248 30.516 1.00 16.24 C ATOM 608 O CYS A 76 -3.010 10.507 29.890 1.00 15.79 O ATOM 609 CB CYS A 76 -1.952 13.075 28.852 1.00 14.35 C ATOM 610 SG CYS A 76 -2.205 14.845 28.603 1.00 12.80 S ATOM 611 N ASN A 77 -1.351 10.778 31.398 1.00 17.38 N ATOM 612 CA ASN A 77 -1.222 9.373 31.716 1.00 17.28 C ATOM 613 C ASN A 77 -1.114 8.516 30.457 1.00 18.05 C ATOM 614 O ASN A 77 -1.879 7.602 30.190 1.00 19.07 O ATOM 615 CB AASN A 77 -2.330 8.861 32.635 0.50 19.29 C ATOM 616 CB BASN A 77 -2.458 8.917 32.513 0.50 17.92 C ATOM 617 CG AASN A 77 -1.953 7.532 33.270 0.50 22.46 C ATOM 618 CG BASN A 77 -2.707 9.722 33.771 0.50 23.19 C ATOM 619 OD1AASN A 77 -2.840 6.733 33.572 0.50 30.03 O ATOM 620 OD1BASN A 77 -1.899 9.711 34.694 0.50 22.14 O ATOM 621 ND2AASN A 77 -0.669 7.267 33.489 0.50 23.82 N ATOM 622 ND2BASN A 77 -3.834 10.425 33.785 0.50 22.71 N ATOM 623 N ILE A 78 -0.096 8.821 29.647 1.00 16.67 N ATOM 624 CA ILE A 78 0.089 8.093 28.375 1.00 16.83 C ATOM 625 C ILE A 78 1.571 8.062 28.071 1.00 16.79 C ATOM 626 O ILE A 78 2.288 9.015 28.373 1.00 15.80 O ATOM 627 CB ILE A 78 -0.703 8.911 27.332 1.00 20.32 C ATOM 628 CG1 ILE A 78 -0.977 8.184 26.020 1.00 22.75 C ATOM 629 CG2 ILE A 78 -0.075 10.268 27.049 1.00 18.60 C ATOM 630 CD1 ILE A 78 -2.121 7.193 26.190 1.00 27.62 C ATOM 631 N PRO A 79 2.060 6.975 27.491 1.00 15.84 N ATOM 632 CA PRO A 79 3.432 6.905 27.000 1.00 15.30 C ATOM 633 C PRO A 79 3.545 7.953 25.897 1.00 15.24 C ATOM 634 O PRO A 79 2.606 8.061 25.106 1.00 15.04 O ATOM 635 CB PRO A 79 3.527 5.505 26.379 1.00 15.36 C ATOM 636 CG PRO A 79 2.337 4.757 26.868 1.00 17.63 C ATOM 637 CD PRO A 79 1.269 5.775 27.121 1.00 15.90 C ATOM 638 N CYS A 80 4.657 8.684 25.769 1.00 13.72 N ATOM 639 CA CYS A 80 4.743 9.688 24.698 1.00 14.15 C ATOM 640 C CYS A 80 4.680 9.041 23.325 1.00 14.31 C ATOM 641 O CYS A 80 4.230 9.664 22.358 1.00 14.82 O ATOM 642 CB CYS A 80 6.043 10.492 24.833 1.00 12.75 C ATOM 643 SG CYS A 80 6.159 11.473 26.337 1.00 11.08 S ATOM 644 N SER A 81 5.097 7.787 23.190 1.00 14.14 N ATOM 645 CA SER A 81 5.035 7.100 21.892 1.00 15.73 C ATOM 646 C SER A 81 3.609 6.967 21.397 1.00 17.04 C ATOM 647 O SER A 81 3.336 6.912 20.179 1.00 18.31 O ATOM 648 CB SER A 81 5.724 5.730 22.096 1.00 20.50 C ATOM 649 OG SER A 81 4.882 4.936 22.919 1.00 21.04 O ATOM 650 N ALA A 82 2.613 6.925 22.284 1.00 17.55 N ATOM 651 CA ALA A 82 1.202 6.829 21.896 1.00 19.09 C ATOM 652 C ALA A 82 0.689 8.093 21.244 1.00 20.22 C ATOM 653 O ALA A 82 -0.351 8.134 20.564 1.00 20.99 O ATOM 654 CB ALA A 82 0.373 6.422 23.116 1.00 19.91 C ATOM 655 N LEU A 83 1.468 9.189 21.325 1.00 19.14 N ATOM 656 CA LEU A 83 1.114 10.441 20.672 1.00 18.22 C ATOM 657 C LEU A 83 1.631 10.500 19.241 1.00 17.88 C ATOM 658 O LEU A 83 1.591 11.556 18.590 1.00 18.02 O ATOM 659 CB LEU A 83 1.651 11.589 21.532 1.00 16.41 C ATOM 660 CG LEU A 83 1.159 11.566 22.988 1.00 17.08 C ATOM 661 CD1 LEU A 83 1.746 12.787 23.682 1.00 20.50 C ATOM 662 CD2 LEU A 83 -0.368 11.505 23.051 1.00 21.70 C ATOM 663 N LEU A 84 2.243 9.421 18.748 1.00 17.90 N ATOM 664 CA LEU A 84 2.812 9.395 17.404 1.00 17.56 C ATOM 665 C LEU A 84 2.023 8.554 16.425 1.00 17.56 C ATOM 666 O LEU A 84 2.314 8.439 15.224 1.00 18.07 O ATOM 667 CB LEU A 84 4.255 8.847 17.461 1.00 17.51 C ATOM 668 CG LEU A 84 5.188 9.587 18.402 1.00 19.56 C ATOM 669 CD1 LEU A 84 6.599 8.985 18.301 1.00 19.02 C ATOM 670 CD2 LEU A 84 5.288 11.076 18.134 1.00 15.18 C ATOM 671 N SER A 85 0.948 7.974 16.935 1.00 18.11 N ATOM 672 CA SER A 85 0.064 7.104 16.186 1.00 18.71 C ATOM 673 C SER A 85 -0.627 7.799 15.020 1.00 19.48 C ATOM 674 O SER A 85 -0.854 9.015 15.046 1.00 20.41 O ATOM 675 CB ASER A 85 -1.010 6.573 17.152 0.50 20.52 C ATOM 676 CB BSER A 85 -1.006 6.559 17.148 0.50 19.28 C ATOM 677 OG ASER A 85 -1.911 5.724 16.470 0.50 18.30 O ATOM 678 OG BSER A 85 -1.479 7.585 18.005 0.50 14.26 O ATOM 679 N SER A 86 -1.050 6.991 14.046 1.00 18.39 N ATOM 680 CA SER A 86 -1.833 7.518 12.925 1.00 18.98 C ATOM 681 C SER A 86 -3.233 7.946 13.363 1.00 19.55 C ATOM 682 O SER A 86 -3.877 8.800 12.755 1.00 21.91 O ATOM 683 CB SER A 86 -1.885 6.501 11.781 1.00 28.82 C ATOM 684 OG SER A 86 -2.374 5.244 12.224 1.00 32.53 O ATOM 685 N ASP A 87 -3.746 7.396 14.454 1.00 18.54 N ATOM 686 CA ASP A 87 -5.023 7.754 15.052 1.00 17.67 C ATOM 687 C ASP A 87 -4.738 8.880 16.050 1.00 16.94 C ATOM 688 O ASP A 87 -3.931 8.677 16.956 1.00 16.53 O ATOM 689 CB ASP A 87 -5.610 6.523 15.729 1.00 19.19 C ATOM 690 CG ASP A 87 -6.887 6.747 16.498 1.00 24.83 C ATOM 691 OD1 ASP A 87 -7.162 7.844 17.009 1.00 20.38 O ATOM 692 OD2 ASP A 87 -7.681 5.777 16.631 1.00 26.78 O ATOM 693 N ILE A 88 -5.331 10.059 15.885 1.00 15.81 N ATOM 694 CA ILE A 88 -5.012 11.198 16.734 1.00 14.90 C ATOM 695 C ILE A 88 -5.758 11.246 18.058 1.00 14.53 C ATOM 696 O ILE A 88 -5.580 12.228 18.803 1.00 14.34 O ATOM 697 CB ILE A 88 -5.215 12.540 15.976 1.00 13.07 C ATOM 698 CG1 ILE A 88 -6.689 12.822 15.713 1.00 16.88 C ATOM 699 CG2 ILE A 88 -4.378 12.529 14.692 1.00 15.25 C ATOM 700 CD1 ILE A 88 -6.921 14.242 15.210 1.00 17.37 C ATOM 701 N THR A 89 -6.524 10.212 18.404 1.00 13.93 N ATOM 702 CA THR A 89 -7.303 10.243 19.632 1.00 13.76 C ATOM 703 C THR A 89 -6.508 10.633 20.868 1.00 14.16 C ATOM 704 O THR A 89 -6.932 11.524 21.628 1.00 14.13 O ATOM 705 CB THR A 89 -8.021 8.888 19.844 1.00 17.13 C ATOM 706 OG1 THR A 89 -8.880 8.585 18.741 1.00 17.25 O ATOM 707 CG2 THR A 89 -8.833 8.891 21.128 1.00 17.08 C ATOM 708 N ALA A 90 -5.364 10.006 21.111 1.00 14.14 N ATOM 709 CA ALA A 90 -4.612 10.300 22.340 1.00 13.95 C ATOM 710 C ALA A 90 -4.102 11.727 22.387 1.00 13.93 C ATOM 711 O ALA A 90 -4.145 12.398 23.436 1.00 14.20 O ATOM 712 CB ALA A 90 -3.479 9.285 22.477 1.00 16.92 C ATOM 713 N SER A 91 -3.613 12.195 21.233 1.00 13.80 N ATOM 714 CA SER A 91 -3.117 13.570 21.141 1.00 12.79 C ATOM 715 C SER A 91 -4.258 14.556 21.417 1.00 12.65 C ATOM 716 O SER A 91 -4.021 15.544 22.088 1.00 13.98 O ATOM 717 CB SER A 91 -2.503 13.877 19.781 1.00 14.04 C ATOM 718 OG SER A 91 -1.194 13.311 19.667 1.00 12.81 O ATOM 719 N VAL A 92 -5.435 14.288 20.852 1.00 12.64 N ATOM 720 CA VAL A 92 -6.555 15.213 21.108 1.00 12.99 C ATOM 721 C VAL A 92 -6.975 15.179 22.564 1.00 14.03 C ATOM 722 O VAL A 92 -7.159 16.253 23.167 1.00 14.85 O ATOM 723 CB VAL A 92 -7.749 14.860 20.202 1.00 14.47 C ATOM 724 CG1 VAL A 92 -8.986 15.660 20.618 1.00 14.77 C ATOM 725 CG2 VAL A 92 -7.374 15.170 18.755 1.00 16.57 C ATOM 726 N ASN A 93 -7.101 13.990 23.173 1.00 14.37 N ATOM 727 CA ASN A 93 -7.508 13.930 24.580 1.00 14.89 C ATOM 728 C ASN A 93 -6.525 14.699 25.464 1.00 14.52 C ATOM 729 O ASN A 93 -6.903 15.377 26.433 1.00 15.52 O ATOM 730 CB ASN A 93 -7.544 12.465 25.066 1.00 16.92 C ATOM 731 CG ASN A 93 -8.702 11.650 24.545 1.00 26.22 C ATOM 732 OD1 ASN A 93 -8.668 10.408 24.525 1.00 29.79 O ATOM 733 ND2 ASN A 93 -9.762 12.320 24.141 1.00 25.39 N ATOM 734 N CYS A 94 -5.236 14.545 25.162 1.00 13.24 N ATOM 735 CA CYS A 94 -4.190 15.212 25.914 1.00 12.58 C ATOM 736 C CYS A 94 -4.207 16.707 25.624 1.00 13.66 C ATOM 737 O CYS A 94 -4.082 17.481 26.580 1.00 12.38 O ATOM 738 CB CYS A 94 -2.835 14.548 25.649 1.00 12.11 C ATOM 739 SG CYS A 94 -1.514 15.193 26.719 1.00 12.21 S ATOM 740 N ALA A 95 -4.383 17.116 24.375 1.00 14.17 N ATOM 741 CA ALA A 95 -4.474 18.539 24.058 1.00 13.88 C ATOM 742 C ALA A 95 -5.627 19.226 24.788 1.00 13.75 C ATOM 743 O ALA A 95 -5.504 20.373 25.219 1.00 13.71 O ATOM 744 CB ALA A 95 -4.636 18.738 22.553 1.00 12.66 C ATOM 745 N LYS A 96 -6.749 18.532 24.996 1.00 13.49 N ATOM 746 CA LYS A 96 -7.851 19.133 25.758 1.00 13.23 C ATOM 747 C LYS A 96 -7.407 19.461 27.180 1.00 13.65 C ATOM 748 O LYS A 96 -7.865 20.472 27.733 1.00 15.26 O ATOM 749 CB LYS A 96 -9.065 18.192 25.767 1.00 12.83 C ATOM 750 CG LYS A 96 -9.712 18.090 24.390 1.00 14.55 C ATOM 751 CD LYS A 96 -10.830 17.055 24.395 1.00 14.51 C ATOM 752 CE LYS A 96 -11.561 17.073 23.055 1.00 16.86 C ATOM 753 NZ LYS A 96 -12.571 15.944 23.061 1.00 20.49 N ATOM 754 N LYS A 97 -6.608 18.549 27.786 1.00 13.10 N ATOM 755 CA LYS A 97 -6.130 18.864 29.143 1.00 13.93 C ATOM 756 C LYS A 97 -5.180 20.051 29.129 1.00 14.45 C ATOM 757 O LYS A 97 -5.217 20.925 30.008 1.00 15.18 O ATOM 758 CB LYS A 97 -5.400 17.610 29.668 1.00 14.43 C ATOM 759 CG LYS A 97 -6.329 16.432 29.960 1.00 18.28 C ATOM 760 CD LYS A 97 -5.452 15.238 30.361 1.00 24.01 C ATOM 761 CE LYS A 97 -6.340 14.047 30.708 1.00 28.70 C ATOM 762 NZ LYS A 97 -7.055 14.346 31.984 1.00 38.09 N ATOM 763 N ILE A 98 -4.268 20.079 28.137 1.00 13.44 N ATOM 764 CA ILE A 98 -3.287 21.167 28.059 1.00 13.11 C ATOM 765 C ILE A 98 -3.979 22.518 27.938 1.00 13.98 C ATOM 766 O ILE A 98 -3.685 23.464 28.681 1.00 15.23 O ATOM 767 CB ILE A 98 -2.306 20.964 26.887 1.00 12.74 C ATOM 768 CG1 ILE A 98 -1.481 19.685 27.088 1.00 15.28 C ATOM 769 CG2 ILE A 98 -1.371 22.172 26.758 1.00 11.29 C ATOM 770 CD1 ILE A 98 -0.735 19.252 25.831 1.00 14.28 C ATOM 771 N VAL A 99 -4.919 22.634 27.008 1.00 14.00 N ATOM 772 CA VAL A 99 -5.610 23.904 26.746 1.00 14.71 C ATOM 773 C VAL A 99 -6.519 24.352 27.880 1.00 16.29 C ATOM 774 O VAL A 99 -6.919 25.513 27.943 1.00 16.68 O ATOM 775 CB VAL A 99 -6.376 23.821 25.414 1.00 12.95 C ATOM 776 CG1 VAL A 99 -7.622 22.972 25.507 1.00 15.00 C ATOM 777 CG2 VAL A 99 -6.709 25.216 24.891 1.00 14.40 C ATOM 778 N SER A 100 -6.822 23.431 28.794 1.00 16.10 N ATOM 779 CA SER A 100 -7.628 23.721 29.965 1.00 18.30 C ATOM 780 C SER A 100 -6.761 24.090 31.160 1.00 18.68 C ATOM 781 O SER A 100 -7.294 24.343 32.246 1.00 20.11 O ATOM 782 CB SER A 100 -8.440 22.470 30.296 1.00 16.65 C ATOM 783 OG SER A 100 -9.347 22.068 29.277 1.00 19.71 O ATOM 784 N ASP A 101 -5.443 24.100 31.044 1.00 18.52 N ATOM 785 CA ASP A 101 -4.551 24.318 32.188 1.00 19.48 C ATOM 786 C ASP A 101 -4.439 25.751 32.681 1.00 20.06 C ATOM 787 O ASP A 101 -3.870 25.967 33.767 1.00 21.45 O ATOM 788 CB ASP A 101 -3.182 23.737 31.833 1.00 22.09 C ATOM 789 CG ASP A 101 -2.307 23.447 33.042 1.00 28.56 C ATOM 790 OD1 ASP A 101 -2.751 22.672 33.906 1.00 30.69 O ATOM 791 OD2 ASP A 101 -1.194 24.006 33.100 1.00 29.39 O ATOM 792 N GLY A 102 -4.930 26.742 31.970 1.00 19.45 N ATOM 793 CA GLY A 102 -4.898 28.112 32.466 1.00 19.52 C ATOM 794 C GLY A 102 -4.594 29.167 31.427 1.00 18.90 C ATOM 795 O GLY A 102 -5.168 30.264 31.426 1.00 19.27 O ATOM 796 N ASN A 103 -3.671 28.834 30.526 1.00 17.54 N ATOM 797 CA ASN A 103 -3.234 29.800 29.526 1.00 16.22 C ATOM 798 C ASN A 103 -3.734 29.500 28.124 1.00 14.21 C ATOM 799 O ASN A 103 -3.217 30.124 27.192 1.00 15.07 O ATOM 800 CB ASN A 103 -1.700 29.866 29.488 1.00 18.05 C ATOM 801 CG ASN A 103 -1.175 30.310 30.848 1.00 23.49 C ATOM 802 OD1 ASN A 103 -1.730 31.232 31.431 1.00 25.06 O ATOM 803 ND2 ASN A 103 -0.135 29.619 31.312 1.00 27.78 N ATOM 804 N GLY A 104 -4.761 28.679 28.019 1.00 12.62 N ATOM 805 CA GLY A 104 -5.381 28.411 26.724 1.00 12.88 C ATOM 806 C GLY A 104 -4.356 27.869 25.736 1.00 12.56 C ATOM 807 O GLY A 104 -3.452 27.114 26.109 1.00 12.94 O ATOM 808 N MET A 105 -4.478 28.322 24.493 1.00 11.50 N ATOM 809 CA MET A 105 -3.564 27.832 23.461 1.00 11.04 C ATOM 810 C MET A 105 -2.196 28.486 23.535 1.00 11.84 C ATOM 811 O MET A 105 -1.329 28.071 22.757 1.00 11.99 O ATOM 812 CB MET A 105 -4.138 27.941 22.044 1.00 12.59 C ATOM 813 CG MET A 105 -5.218 26.866 21.851 1.00 10.74 C ATOM 814 SD MET A 105 -5.752 26.759 20.136 1.00 11.07 S ATOM 815 CE MET A 105 -4.396 25.782 19.457 1.00 15.91 C ATOM 816 N ASN A 106 -1.932 29.429 24.432 1.00 11.22 N ATOM 817 CA ASN A 106 -0.581 29.976 24.546 1.00 12.48 C ATOM 818 C ASN A 106 0.392 28.906 25.028 1.00 13.49 C ATOM 819 O ASN A 106 1.596 29.109 24.874 1.00 14.44 O ATOM 820 CB ASN A 106 -0.547 31.171 25.500 1.00 12.42 C ATOM 821 CG ASN A 106 -1.372 32.321 24.992 1.00 13.53 C ATOM 822 OD1 ASN A 106 -1.021 32.991 24.004 1.00 13.91 O ATOM 823 ND2 ASN A 106 -2.501 32.577 25.664 1.00 12.59 N ATOM 824 N ALA A 107 -0.105 27.768 25.505 1.00 12.94 N ATOM 825 CA ALA A 107 0.754 26.643 25.850 1.00 13.10 C ATOM 826 C ALA A 107 1.573 26.197 24.630 1.00 14.73 C ATOM 827 O ALA A 107 2.678 25.685 24.862 1.00 15.38 O ATOM 828 CB ALA A 107 -0.040 25.452 26.346 1.00 13.35 C ATOM 829 N TRP A 108 1.016 26.348 23.433 1.00 13.94 N ATOM 830 CA TRP A 108 1.792 26.032 22.228 1.00 14.95 C ATOM 831 C TRP A 108 2.468 27.324 21.766 1.00 15.45 C ATOM 832 O TRP A 108 1.820 28.222 21.212 1.00 15.12 O ATOM 833 CB TRP A 108 0.867 25.494 21.145 1.00 12.27 C ATOM 834 CG TRP A 108 0.340 24.125 21.451 1.00 12.97 C ATOM 835 CD1 TRP A 108 0.973 22.954 21.098 1.00 13.33 C ATOM 836 CD2 TRP A 108 -0.855 23.744 22.137 1.00 12.18 C ATOM 837 NE1 TRP A 108 0.242 21.878 21.541 1.00 11.97 N ATOM 838 CE2 TRP A 108 -0.892 22.345 22.187 1.00 12.29 C ATOM 839 CE3 TRP A 108 -1.895 24.475 22.738 1.00 14.22 C ATOM 840 CZ2 TRP A 108 -1.937 21.637 22.775 1.00 12.72 C ATOM 841 CZ3 TRP A 108 -2.963 23.788 23.327 1.00 14.91 C ATOM 842 CH2 TRP A 108 -2.957 22.362 23.357 1.00 12.30 C ATOM 843 N VAL A 109 3.785 27.422 21.963 1.00 16.15 N ATOM 844 CA VAL A 109 4.517 28.629 21.575 1.00 16.88 C ATOM 845 C VAL A 109 4.336 28.942 20.092 1.00 16.07 C ATOM 846 O VAL A 109 4.145 30.135 19.805 1.00 16.46 O ATOM 847 CB VAL A 109 6.003 28.493 21.958 1.00 25.60 C ATOM 848 CG1 VAL A 109 6.820 29.652 21.399 1.00 27.97 C ATOM 849 CG2 VAL A 109 6.171 28.432 23.477 1.00 29.37 C ATOM 850 N ALA A 110 4.314 27.956 19.210 1.00 16.70 N ATOM 851 CA ALA A 110 4.116 28.203 17.785 1.00 15.82 C ATOM 852 C ALA A 110 2.723 28.779 17.516 1.00 16.01 C ATOM 853 O ALA A 110 2.567 29.609 16.613 1.00 15.28 O ATOM 854 CB ALA A 110 4.344 26.954 16.948 1.00 18.42 C ATOM 855 N TRP A 111 1.730 28.332 18.291 1.00 13.89 N ATOM 856 CA TRP A 111 0.399 28.941 18.118 1.00 14.03 C ATOM 857 C TRP A 111 0.439 30.415 18.501 1.00 14.86 C ATOM 858 O TRP A 111 0.010 31.288 17.761 1.00 13.24 O ATOM 859 CB TRP A 111 -0.675 28.255 18.990 1.00 12.15 C ATOM 860 CG TRP A 111 -2.005 28.955 18.861 1.00 13.15 C ATOM 861 CD1 TRP A 111 -2.942 28.734 17.894 1.00 12.87 C ATOM 862 CD2 TRP A 111 -2.534 29.964 19.720 1.00 12.67 C ATOM 863 NE1 TRP A 111 -4.026 29.567 18.088 1.00 11.29 N ATOM 864 CE2 TRP A 111 -3.796 30.325 19.221 1.00 12.21 C ATOM 865 CE3 TRP A 111 -2.056 30.608 20.861 1.00 15.29 C ATOM 866 CZ2 TRP A 111 -4.579 31.296 19.834 1.00 14.29 C ATOM 867 CZ3 TRP A 111 -2.837 31.569 21.484 1.00 14.63 C ATOM 868 CH2 TRP A 111 -4.092 31.916 20.958 1.00 13.59 C ATOM 869 N ARG A 112 1.043 30.736 19.664 1.00 14.40 N ATOM 870 CA ARG A 112 1.124 32.137 20.051 1.00 15.21 C ATOM 871 C ARG A 112 1.908 32.967 19.033 1.00 14.80 C ATOM 872 O ARG A 112 1.460 34.071 18.682 1.00 14.84 O ATOM 873 CB ARG A 112 1.838 32.238 21.432 1.00 17.37 C ATOM 874 CG ARG A 112 1.874 33.702 21.871 1.00 18.15 C ATOM 875 CD ARG A 112 2.343 33.875 23.310 1.00 22.52 C ATOM 876 NE ARG A 112 3.668 33.306 23.498 1.00 28.83 N ATOM 877 CZ ARG A 112 4.829 33.868 23.156 1.00 29.79 C ATOM 878 NH1 ARG A 112 4.873 35.067 22.603 1.00 27.45 N ATOM 879 NH2 ARG A 112 5.956 33.219 23.383 1.00 27.38 N ATOM 880 N ASN A 113 3.030 32.412 18.553 1.00 14.69 N ATOM 881 CA ASN A 113 3.837 33.266 17.655 1.00 13.54 C ATOM 882 C ASN A 113 3.388 33.307 16.213 1.00 13.89 C ATOM 883 O ASN A 113 3.786 34.231 15.486 1.00 14.09 O ATOM 884 CB ASN A 113 5.298 32.763 17.745 1.00 13.29 C ATOM 885 CG ASN A 113 5.976 33.106 19.057 1.00 13.75 C ATOM 886 OD1 ASN A 113 5.639 34.127 19.672 1.00 17.11 O ATOM 887 ND2 ASN A 113 6.931 32.287 19.495 1.00 16.63 N ATOM 888 N ARG A 114 2.648 32.299 15.741 1.00 12.76 N ATOM 889 CA ARG A 114 2.319 32.226 14.308 1.00 12.70 C ATOM 890 C ARG A 114 0.847 32.134 13.982 1.00 12.74 C ATOM 891 O ARG A 114 0.500 32.353 12.810 1.00 13.48 O ATOM 892 CB ARG A 114 3.018 30.935 13.773 1.00 13.37 C ATOM 893 CG ARG A 114 4.518 31.009 14.035 1.00 12.57 C ATOM 894 CD ARG A 114 5.360 29.847 13.561 1.00 12.73 C ATOM 895 NE ARG A 114 5.499 29.930 12.087 1.00 13.18 N ATOM 896 CZ ARG A 114 6.225 29.022 11.429 1.00 13.66 C ATOM 897 NH1 ARG A 114 6.848 28.010 12.050 1.00 13.96 N ATOM 898 NH2 ARG A 114 6.298 29.123 10.104 1.00 15.20 N ATOM 899 N CYS A 115 0.005 31.827 14.983 1.00 13.02 N ATOM 900 CA CYS A 115 -1.405 31.650 14.691 1.00 11.82 C ATOM 901 C CYS A 115 -2.281 32.688 15.396 1.00 13.26 C ATOM 902 O CYS A 115 -3.245 33.175 14.808 1.00 14.49 O ATOM 903 CB CYS A 115 -1.930 30.266 15.111 1.00 10.17 C ATOM 904 SG CYS A 115 -1.065 28.894 14.310 1.00 10.81 S ATOM 905 N LYS A 116 -1.935 32.968 16.638 1.00 12.68 N ATOM 906 CA LYS A 116 -2.732 33.872 17.470 1.00 13.98 C ATOM 907 C LYS A 116 -2.981 35.200 16.773 1.00 14.67 C ATOM 908 O LYS A 116 -2.060 35.851 16.293 1.00 14.91 O ATOM 909 CB LYS A 116 -1.974 34.092 18.786 1.00 9.53 C ATOM 910 CG LYS A 116 -2.764 34.952 19.797 1.00 13.11 C ATOM 911 CD LYS A 116 -1.936 34.981 21.091 1.00 13.14 C ATOM 912 CE LYS A 116 -2.721 35.744 22.162 1.00 13.27 C ATOM 913 NZ LYS A 116 -1.883 35.787 23.422 1.00 14.45 N ATOM 914 N GLY A 117 -4.251 35.597 16.644 1.00 16.40 N ATOM 915 CA GLY A 117 -4.593 36.863 16.029 1.00 17.97 C ATOM 916 C GLY A 117 -4.611 36.902 14.513 1.00 18.71 C ATOM 917 O GLY A 117 -4.949 37.956 13.958 1.00 20.37 O ATOM 918 N THR A 118 -4.273 35.792 13.872 1.00 16.21 N ATOM 919 CA THR A 118 -4.239 35.755 12.415 1.00 16.01 C ATOM 920 C THR A 118 -5.554 35.225 11.883 1.00 15.77 C ATOM 921 O THR A 118 -6.407 34.825 12.673 1.00 14.91 O ATOM 922 CB THR A 118 -3.096 34.866 11.880 1.00 14.72 C ATOM 923 OG1 THR A 118 -3.430 33.495 12.120 1.00 13.23 O ATOM 924 CG2 THR A 118 -1.776 35.245 12.521 1.00 15.36 C ATOM 925 N ASP A 119 -5.718 35.241 10.547 1.00 14.92 N ATOM 926 CA ASP A 119 -6.949 34.738 9.956 1.00 15.76 C ATOM 927 C ASP A 119 -6.929 33.215 9.980 1.00 16.21 C ATOM 928 O ASP A 119 -6.689 32.571 8.976 1.00 16.06 O ATOM 929 CB ASP A 119 -7.014 35.278 8.510 1.00 16.37 C ATOM 930 CG ASP A 119 -8.220 34.797 7.739 1.00 24.33 C ATOM 931 OD1 ASP A 119 -9.221 34.412 8.388 1.00 25.30 O ATOM 932 OD2 ASP A 119 -8.107 34.823 6.490 1.00 26.75 O ATOM 933 N VAL A 120 -7.181 32.582 11.137 1.00 15.22 N ATOM 934 CA VAL A 120 -7.079 31.124 11.243 1.00 15.52 C ATOM 935 C VAL A 120 -8.153 30.362 10.497 1.00 15.62 C ATOM 936 O VAL A 120 -7.996 29.181 10.169 1.00 15.61 O ATOM 937 CB VAL A 120 -7.010 30.652 12.705 1.00 14.50 C ATOM 938 CG1 VAL A 120 -5.751 31.174 13.406 1.00 13.49 C ATOM 939 CG2 VAL A 120 -8.260 31.106 13.426 1.00 18.01 C ATOM 940 N GLN A 121 -9.273 30.994 10.132 1.00 16.86 N ATOM 941 CA GLN A 121 -10.273 30.336 9.315 1.00 15.91 C ATOM 942 C GLN A 121 -9.692 29.922 7.965 1.00 15.75 C ATOM 943 O GLN A 121 -10.167 28.980 7.335 1.00 16.32 O ATOM 944 CB GLN A 121 -11.495 31.223 9.070 1.00 22.07 C ATOM 945 CG GLN A 121 -12.657 30.497 8.406 1.00 27.94 C ATOM 946 CD GLN A 121 -12.614 30.561 6.892 1.00 32.52 C ATOM 947 OE1 GLN A 121 -12.924 29.580 6.207 1.00 35.65 O ATOM 948 NE2 GLN A 121 -12.206 31.703 6.348 1.00 37.52 N ATOM 949 N ALA A 122 -8.664 30.607 7.461 1.00 14.16 N ATOM 950 CA ALA A 122 -8.027 30.196 6.206 1.00 14.48 C ATOM 951 C ALA A 122 -7.622 28.740 6.245 1.00 15.17 C ATOM 952 O ALA A 122 -7.595 28.065 5.210 1.00 15.64 O ATOM 953 CB ALA A 122 -6.822 31.092 5.912 1.00 13.71 C ATOM 954 N TRP A 123 -7.234 28.188 7.408 1.00 14.85 N ATOM 955 CA TRP A 123 -6.812 26.817 7.556 1.00 15.09 C ATOM 956 C TRP A 123 -7.910 25.791 7.334 1.00 15.70 C ATOM 957 O TRP A 123 -7.574 24.626 7.131 1.00 15.01 O ATOM 958 CB TRP A 123 -6.153 26.558 8.944 1.00 13.01 C ATOM 959 CG TRP A 123 -4.873 27.352 9.027 1.00 13.65 C ATOM 960 CD1 TRP A 123 -4.669 28.519 9.711 1.00 15.17 C ATOM 961 CD2 TRP A 123 -3.632 27.050 8.386 1.00 14.16 C ATOM 962 NE1 TRP A 123 -3.381 28.967 9.494 1.00 14.36 N ATOM 963 CE2 TRP A 123 -2.731 28.074 8.704 1.00 16.38 C ATOM 964 CE3 TRP A 123 -3.214 25.995 7.561 1.00 15.02 C ATOM 965 CZ2 TRP A 123 -1.413 28.095 8.223 1.00 17.35 C ATOM 966 CZ3 TRP A 123 -1.915 26.031 7.067 1.00 20.19 C ATOM 967 CH2 TRP A 123 -1.026 27.061 7.411 1.00 18.61 C ATOM 968 N ILE A 124 -9.186 26.173 7.348 1.00 16.26 N ATOM 969 CA ILE A 124 -10.244 25.203 7.081 1.00 17.34 C ATOM 970 C ILE A 124 -10.958 25.562 5.783 1.00 18.63 C ATOM 971 O ILE A 124 -11.938 24.916 5.400 1.00 18.03 O ATOM 972 CB ILE A 124 -11.213 25.069 8.264 1.00 17.88 C ATOM 973 CG1 ILE A 124 -11.838 26.401 8.663 1.00 20.55 C ATOM 974 CG2 ILE A 124 -10.467 24.479 9.476 1.00 17.12 C ATOM 975 CD1 ILE A 124 -12.851 26.299 9.796 1.00 28.01 C ATOM 976 N ARG A 125 -10.388 26.510 5.037 1.00 18.58 N ATOM 977 CA ARG A 125 -10.994 26.967 3.786 1.00 19.52 C ATOM 978 C ARG A 125 -11.056 25.839 2.787 1.00 19.76 C ATOM 979 O ARG A 125 -10.131 25.059 2.624 1.00 20.17 O ATOM 980 CB ARG A 125 -10.203 28.151 3.221 1.00 27.40 C ATOM 981 CG ARG A 125 -10.855 28.871 2.055 1.00 39.28 C ATOM 982 CD ARG A 125 -11.064 30.346 2.332 1.00 48.18 C ATOM 983 NE ARG A 125 -9.952 31.034 2.972 1.00 53.75 N ATOM 984 CZ ARG A 125 -10.104 32.121 3.724 1.00 57.96 C ATOM 985 NH1 ARG A 125 -11.318 32.625 3.921 1.00 62.67 N ATOM 986 NH2 ARG A 125 -9.086 32.743 4.298 1.00 61.35 N ATOM 987 N GLY A 126 -12.222 25.666 2.127 1.00 19.98 N ATOM 988 CA GLY A 126 -12.389 24.617 1.148 1.00 20.71 C ATOM 989 C GLY A 126 -12.705 23.238 1.709 1.00 21.05 C ATOM 990 O GLY A 126 -13.006 22.326 0.933 1.00 22.69 O ATOM 991 N CYS A 127 -12.640 23.079 3.024 1.00 20.04 N ATOM 992 CA CYS A 127 -12.893 21.753 3.586 1.00 20.56 C ATOM 993 C CYS A 127 -14.398 21.535 3.715 1.00 21.00 C ATOM 994 O CYS A 127 -15.106 22.449 4.118 1.00 20.88 O ATOM 995 CB CYS A 127 -12.223 21.588 4.955 1.00 20.27 C ATOM 996 SG CYS A 127 -10.443 21.944 4.947 1.00 18.11 S ATOM 997 N ARG A 128 -14.786 20.327 3.360 1.00 22.07 N ATOM 998 CA ARG A 128 -16.165 19.845 3.461 1.00 24.51 C ATOM 999 C ARG A 128 -16.185 19.162 4.837 1.00 26.37 C ATOM 1000 O ARG A 128 -15.699 18.046 5.040 1.00 27.58 O ATOM 1001 CB ARG A 128 -16.407 18.893 2.307 1.00 23.69 C ATOM 1002 CG ARG A 128 -17.767 18.293 2.147 1.00 36.80 C ATOM 1003 CD ARG A 128 -18.606 18.878 1.000 1.00 47.34 C ATOM 1004 NE ARG A 128 -19.983 18.652 1.462 1.00 52.78 N ATOM 1005 CZ ARG A 128 -20.795 19.592 1.896 1.00 54.36 C ATOM 1006 NH1 ARG A 128 -20.372 20.856 1.947 1.00 59.14 N ATOM 1007 NH2 ARG A 128 -21.988 19.273 2.373 1.00 54.49 N ATOM 1008 N LEU A 129 -16.556 19.949 5.844 1.00 26.47 N ATOM 1009 CA LEU A 129 -16.464 19.472 7.216 1.00 27.32 C ATOM 1010 CB LEU A 129 -15.904 20.629 8.074 1.00 28.32 C ATOM 1011 CG LEU A 129 -14.376 20.692 7.953 1.00 31.26 C ATOM 1012 CD1 LEU A 129 -13.837 22.063 8.284 1.00 33.18 C ATOM 1013 CD2 LEU A 129 -13.758 19.629 8.845 1.00 31.52 C TER 1014 LEU A 129 HETATM 1015 CL CL A 200 -8.573 31.142 26.528 1.00 18.19 CL HETATM 1016 CL CL A 201 -11.694 28.713 12.250 1.00 21.82 CL HETATM 1017 O HOH A 202 10.879 10.613 32.587 1.00 10.97 O HETATM 1018 O HOH A 203 10.289 12.194 14.636 1.00 13.30 O HETATM 1019 O HOH A 204 0.644 15.551 19.649 1.00 13.78 O HETATM 1020 O HOH A 205 8.693 11.787 30.570 1.00 14.14 O HETATM 1021 O HOH A 206 12.958 13.612 26.453 1.00 14.15 O HETATM 1022 O HOH A 207 4.285 31.927 10.426 1.00 14.43 O HETATM 1023 O HOH A 208 -6.938 16.618 3.112 1.00 15.01 O HETATM 1024 O HOH A 209 7.639 26.744 8.912 1.00 15.19 O HETATM 1025 O HOH A 210 -2.286 10.409 19.133 1.00 15.48 O HETATM 1026 O HOH A 211 -1.195 23.202 4.340 1.00 15.81 O HETATM 1027 O HOH A 212 4.482 10.025 9.236 1.00 15.96 O HETATM 1028 O HOH A 213 -6.655 27.410 29.873 1.00 16.34 O HETATM 1029 O HOH A 214 7.137 13.059 31.577 1.00 16.43 O HETATM 1030 O HOH A 215 -2.967 26.170 28.758 1.00 16.45 O HETATM 1031 O HOH A 216 -2.846 31.753 10.013 1.00 16.64 O HETATM 1032 O HOH A 217 9.614 4.677 30.905 1.00 16.94 O HETATM 1033 O HOH A 218 8.449 21.343 18.679 1.00 17.27 O HETATM 1034 O HOH A 219 -0.414 31.336 8.901 1.00 17.68 O HETATM 1035 O HOH A 220 -4.069 11.072 25.838 1.00 17.78 O HETATM 1036 O HOH A 221 -3.386 37.687 25.212 1.00 18.02 O HETATM 1037 O HOH A 222 -1.662 11.131 16.406 1.00 18.03 O HETATM 1038 O HOH A 223 -3.281 31.115 5.697 1.00 18.28 O HETATM 1039 O HOH A 224 -10.939 30.911 24.243 1.00 18.32 O HETATM 1040 O HOH A 225 7.094 24.986 15.739 1.00 18.56 O HETATM 1041 O HOH A 226 -4.578 7.661 19.577 1.00 18.94 O HETATM 1042 O HOH A 227 -2.329 6.339 20.642 1.00 19.32 O HETATM 1043 O HOH A 228 -7.243 34.881 15.339 1.00 19.33 O HETATM 1044 O HOH A 229 2.942 20.443 25.408 1.00 19.37 O HETATM 1045 O HOH A 230 17.901 9.077 24.625 1.00 19.61 O HETATM 1046 O HOH A 231 -0.047 17.718 4.493 1.00 19.75 O HETATM 1047 O HOH A 232 13.490 13.490 18.605 0.50 19.79 O HETATM 1048 O HOH A 233 -6.318 33.019 17.248 1.00 19.85 O HETATM 1049 O HOH A 234 6.916 11.433 32.978 1.00 19.95 O HETATM 1050 O HOH A 235 -3.497 38.476 18.726 1.00 20.26 O HETATM 1051 O HOH A 236 -4.178 32.654 7.872 1.00 20.37 O HETATM 1052 O HOH A 237 -8.400 10.064 14.433 1.00 20.37 O HETATM 1053 O HOH A 238 -18.493 18.493 9.303 0.50 20.39 O HETATM 1054 O HOH A 239 1.385 32.790 10.400 1.00 20.43 O HETATM 1055 O HOH A 240 11.896 11.896 37.210 0.50 20.74 O HETATM 1056 O HOH A 241 -3.961 36.825 8.829 1.00 20.87 O HETATM 1057 O HOH A 242 -6.693 19.428 2.190 1.00 20.90 O HETATM 1058 O HOH A 243 -0.775 38.308 19.723 1.00 20.91 O HETATM 1059 O HOH A 244 -15.875 15.692 11.542 1.00 21.02 O HETATM 1060 O HOH A 245 7.123 16.827 10.556 1.00 21.29 O HETATM 1061 O HOH A 246 13.092 23.814 26.808 1.00 21.60 O HETATM 1062 O HOH A 247 5.471 25.661 20.192 1.00 21.65 O HETATM 1063 O HOH A 248 -4.933 12.015 28.281 1.00 21.85 O HETATM 1064 O HOH A 249 -9.500 32.799 16.423 1.00 22.13 O HETATM 1065 O HOH A 250 5.304 23.715 9.208 1.00 22.17 O HETATM 1066 O HOH A 251 4.829 22.431 21.586 1.00 22.23 O HETATM 1067 O HOH A 252 -15.332 19.844 17.081 1.00 22.29 O HETATM 1068 O HOH A 253 -11.938 12.129 10.600 1.00 22.30 O HETATM 1069 O HOH A 254 -0.010 37.715 22.558 1.00 22.39 O HETATM 1070 O HOH A 255 -7.202 10.129 13.243 1.00 22.76 O HETATM 1071 O HOH A 256 2.317 18.684 5.478 1.00 22.97 O HETATM 1072 O HOH A 257 -0.609 26.419 30.111 1.00 23.01 O HETATM 1073 O HOH A 258 -12.876 18.006 2.111 1.00 23.03 O HETATM 1074 O HOH A 259 6.914 23.143 20.073 1.00 23.39 O HETATM 1075 O HOH A 260 -3.577 28.426 5.186 1.00 23.46 O HETATM 1076 O HOH A 261 4.675 4.962 29.797 1.00 23.56 O HETATM 1077 O HOH A 262 -1.245 38.248 15.147 1.00 23.56 O HETATM 1078 O HOH A 263 -5.564 8.814 25.596 1.00 23.69 O HETATM 1079 O HOH A 264 7.009 23.807 11.646 1.00 23.70 O HETATM 1080 O HOH A 265 1.879 6.009 30.780 1.00 23.71 O HETATM 1081 O HOH A 266 5.216 25.173 22.892 1.00 23.72 O HETATM 1082 O HOH A 267 18.106 18.106 18.605 0.50 23.78 O HETATM 1083 O HOH A 268 -14.988 23.445 25.814 1.00 24.14 O HETATM 1084 O HOH A 269 -2.222 34.844 7.765 1.00 24.45 O HETATM 1085 O HOH A 270 0.390 12.722 16.652 1.00 24.62 O HETATM 1086 O HOH A 271 -14.530 24.676 5.590 1.00 24.72 O HETATM 1087 O HOH A 272 -3.166 5.199 23.295 1.00 24.86 O HETATM 1088 O HOH A 273 1.216 9.738 5.280 1.00 25.40 O HETATM 1089 O HOH A 274 -18.265 22.087 4.822 1.00 25.66 O HETATM 1090 O HOH A 275 -15.201 9.092 16.700 1.00 25.72 O HETATM 1091 O HOH A 276 4.600 36.742 19.557 1.00 25.73 O HETATM 1092 O HOH A 277 -5.992 9.643 32.090 1.00 25.80 O HETATM 1093 O HOH A 278 1.304 36.804 18.883 1.00 25.84 O HETATM 1094 O HOH A 279 -9.132 14.941 28.012 1.00 25.89 O HETATM 1095 O HOH A 280 4.528 7.893 34.391 1.00 26.12 O HETATM 1096 O HOH A 281 -2.547 30.453 34.163 1.00 26.23 O HETATM 1097 O HOH A 282 -0.620 35.566 26.185 1.00 26.24 O HETATM 1098 O HOH A 283 -7.927 11.450 28.856 1.00 26.35 O HETATM 1099 O HOH A 284 1.788 6.539 10.936 1.00 26.51 O HETATM 1100 O HOH A 285 13.159 10.398 34.593 1.00 26.79 O HETATM 1101 O HOH A 286 7.222 16.362 8.190 1.00 27.07 O HETATM 1102 O HOH A 287 -7.850 10.126 8.000 1.00 27.14 O HETATM 1103 O HOH A 288 -10.393 8.137 24.443 1.00 27.20 O HETATM 1104 O HOH A 289 -2.733 40.337 14.551 1.00 27.27 O HETATM 1105 O HOH A 290 -9.169 11.966 9.156 1.00 27.41 O HETATM 1106 O HOH A 291 -12.985 17.705 28.178 1.00 27.42 O HETATM 1107 O HOH A 292 10.547 21.468 20.359 1.00 27.50 O HETATM 1108 O HOH A 293 -10.183 33.721 11.223 1.00 27.72 O HETATM 1109 O HOH A 294 7.457 25.395 18.468 1.00 27.87 O HETATM 1110 O HOH A 295 -9.754 18.975 29.738 1.00 27.87 O HETATM 1111 O HOH A 296 17.581 14.317 21.216 1.00 28.20 O HETATM 1112 O HOH A 297 16.590 14.860 29.890 1.00 28.36 O HETATM 1113 O HOH A 298 14.635 15.792 18.064 1.00 28.37 O HETATM 1114 O HOH A 299 -7.275 39.098 15.412 1.00 28.45 O HETATM 1115 O HOH A 300 -2.211 38.505 10.070 1.00 28.51 O HETATM 1116 O HOH A 301 -8.571 37.178 15.480 1.00 28.80 O HETATM 1117 O HOH A 302 2.949 5.060 18.299 1.00 29.00 O HETATM 1118 O HOH A 303 -16.726 16.726 9.303 0.50 29.27 O HETATM 1119 O HOH A 304 13.606 24.178 23.338 1.00 29.57 O HETATM 1120 O HOH A 305 -4.676 26.495 38.634 1.00 29.58 O HETATM 1121 O HOH A 306 -10.948 29.213 27.557 1.00 29.60 O HETATM 1122 O HOH A 307 -2.697 11.318 4.964 1.00 29.70 O HETATM 1123 O HOH A 308 -1.522 3.392 27.650 1.00 29.71 O HETATM 1124 O HOH A 309 -4.251 17.996 33.619 1.00 29.91 O HETATM 1125 O HOH A 310 -5.110 6.413 24.610 1.00 29.96 O HETATM 1126 O HOH A 311 -19.900 22.788 12.165 1.00 30.10 O HETATM 1127 O HOH A 312 -6.817 8.451 27.930 1.00 30.10 O HETATM 1128 O HOH A 313 9.177 23.023 16.646 1.00 30.15 O HETATM 1129 O HOH A 314 19.217 16.433 25.700 1.00 30.15 O HETATM 1130 O HOH A 315 -16.634 14.607 19.679 1.00 30.53 O HETATM 1131 O HOH A 316 -1.426 28.041 3.446 1.00 30.85 O HETATM 1132 O HOH A 317 2.295 3.473 21.971 1.00 30.99 O HETATM 1133 O HOH A 318 2.568 37.386 21.852 1.00 31.04 O HETATM 1134 O HOH A 319 0.159 4.298 14.251 1.00 31.06 O HETATM 1135 O HOH A 320 0.692 3.808 19.651 1.00 31.15 O HETATM 1136 O HOH A 321 -5.834 20.579 32.561 1.00 31.19 O HETATM 1137 O HOH A 322 -4.693 5.674 29.352 1.00 31.20 O HETATM 1138 O HOH A 323 -15.358 14.932 22.145 1.00 31.42 O HETATM 1139 O HOH A 324 1.238 38.146 25.783 1.00 31.44 O HETATM 1140 O HOH A 325 20.230 21.631 26.500 1.00 31.80 O HETATM 1141 O HOH A 326 -16.031 19.645 22.360 1.00 31.83 O HETATM 1142 O HOH A 327 15.665 17.533 18.043 1.00 31.91 O HETATM 1143 O HOH A 328 5.286 16.954 41.850 1.00 31.92 O HETATM 1144 O HOH A 329 -8.597 28.043 31.993 1.00 32.24 O HETATM 1145 O HOH A 330 -3.444 19.251 2.289 1.00 32.41 O HETATM 1146 O HOH A 331 -10.753 12.992 8.668 1.00 32.58 O HETATM 1147 O HOH A 332 8.018 19.892 13.833 1.00 32.64 O HETATM 1148 O HOH A 333 -12.861 11.915 21.063 1.00 32.92 O HETATM 1149 O HOH A 334 -5.704 8.037 10.830 1.00 33.68 O HETATM 1150 O HOH A 335 -20.305 17.389 -0.507 1.00 33.75 O HETATM 1151 O HOH A 336 6.238 2.840 24.049 1.00 33.77 O HETATM 1152 O HOH A 337 -4.670 8.314 29.558 1.00 33.81 O HETATM 1153 O HOH A 338 2.193 22.444 25.296 1.00 33.85 O HETATM 1154 O HOH A 339 -16.498 21.632 23.971 1.00 34.03 O HETATM 1155 O HOH A 340 -9.160 5.260 18.834 1.00 34.18 O HETATM 1156 O HOH A 341 -8.559 19.349 0.671 1.00 34.21 O HETATM 1157 O HOH A 342 13.968 6.338 33.309 1.00 34.39 O HETATM 1158 O HOH A 343 10.492 18.283 39.312 1.00 34.80 O HETATM 1159 O HOH A 344 3.455 31.157 24.979 1.00 34.87 O HETATM 1160 O HOH A 345 -1.988 4.987 29.616 1.00 35.02 O HETATM 1161 O HOH A 346 -6.300 7.200 32.899 1.00 35.03 O HETATM 1162 O HOH A 347 -20.135 18.837 11.394 1.00 35.17 O HETATM 1163 O HOH A 348 -1.041 3.883 25.065 1.00 35.59 O HETATM 1164 O HOH A 349 -5.860 27.566 35.957 1.00 35.59 O HETATM 1165 O HOH A 350 7.817 17.167 38.889 1.00 35.72 O HETATM 1166 O HOH A 351 3.038 22.719 28.596 1.00 35.80 O HETATM 1167 O HOH A 352 7.383 23.092 5.206 1.00 36.12 O HETATM 1168 O HOH A 353 -1.512 28.095 34.397 1.00 36.18 O HETATM 1169 O HOH A 354 -3.790 22.766 1.644 1.00 36.56 O HETATM 1170 O HOH A 355 -1.740 19.862 3.414 1.00 37.02 O HETATM 1171 O HOH A 356 2.114 12.911 36.519 1.00 37.08 O HETATM 1172 O HOH A 357 3.724 24.464 3.530 1.00 37.13 O HETATM 1173 O HOH A 358 -18.346 29.918 18.378 1.00 37.27 O HETATM 1174 O HOH A 359 4.572 26.197 26.844 1.00 37.66 O HETATM 1175 O HOH A 360 20.535 20.940 24.404 1.00 37.82 O HETATM 1176 O HOH A 361 9.634 21.963 28.448 1.00 38.26 O HETATM 1177 O HOH A 362 -1.080 21.418 35.703 1.00 38.49 O HETATM 1178 O HOH A 363 1.677 28.597 28.743 1.00 38.60 O HETATM 1179 O HOH A 364 19.283 15.322 28.250 1.00 38.60 O HETATM 1180 O HOH A 365 7.015 18.690 35.740 1.00 38.72 O HETATM 1181 O HOH A 366 1.249 3.610 16.471 1.00 38.94 O HETATM 1182 O HOH A 367 1.582 19.199 38.346 1.00 39.28 O HETATM 1183 O HOH A 368 11.048 24.309 30.326 1.00 39.30 O HETATM 1184 O HOH A 369 -14.416 21.935 28.473 1.00 39.31 O HETATM 1185 O HOH A 370 18.376 19.088 24.588 1.00 39.45 O HETATM 1186 O HOH A 371 -10.984 36.550 14.845 1.00 39.83 O HETATM 1187 O HOH A 372 -2.577 29.992 1.311 1.00 40.38 O HETATM 1188 O HOH A 373 17.114 21.181 21.516 1.00 40.73 O HETATM 1189 O HOH A 374 5.265 21.346 3.207 1.00 41.14 O HETATM 1190 O HOH A 375 9.959 11.483 35.605 1.00 42.02 O HETATM 1191 O HOH A 376 -8.712 37.262 11.831 1.00 42.48 O HETATM 1192 O HOH A 377 9.550 17.444 6.125 1.00 44.76 O HETATM 1193 O HOH A 378 -19.917 19.989 14.602 1.00 49.67 O CONECT 50 996 CONECT 247 904 CONECT 522 643 CONECT 610 739 CONECT 643 522 CONECT 739 610 CONECT 904 247 CONECT 996 50 MASTER 292 0 2 7 3 0 2 6 1192 1 8 10 END If you find results from this site helpful for your research, please cite one of our papers:
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