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*** LYSOZYME 13-NOV-96 1JKB ***elNémo ID: 2405160932581433780Job options:ID = 2405160932581433780 JOBID = LYSOZYME 13-NOV-96 1JKB USERID = unknown PRIVAT = 0 NMODES = 10 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER LYSOZYME 13-NOV-96 1JKB TITLE HUMAN LYSOZYME MUTANT WITH GLU 35 REPLACED BY ALA COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME; COMPND 3 CHAIN: A; COMPND 4 EC: 3.2.1.17; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: A SYNTHETIC GENE OF HUMAN LYSO; SOURCE 6 EXPRESSION_SYSTEM: SACCHAROMYCES CEREVISIAE; SOURCE 7 EXPRESSION_SYSTEM_COMMON: BAKER'S YEAST; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 4932; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: KSC22-1C; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: YEP; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: YEPHLYSIG (ALA35); SOURCE 12 EXPRESSION_SYSTEM_GENE: A SYNTHETIC GENE OF HUMAN LYSOZYME WITH A SOURCE 13 MUTATION OF E35A KEYWDS LYSOZYME, MURAMIDASE, HYDROLASE (O-GLYCOSYL) HYDROLASE, HYDROLASE (O- KEYWDS 2 GLYCOSYL), GLYCOSIDASE EXPDTA X-RAY DIFFRACTION AUTHOR M.MURAKI,K.HARATA,S.GODA,H.NAGAHORA REVDAT 5 09-AUG-23 1JKB 1 REMARK REVDAT 4 03-NOV-21 1JKB 1 REMARK SEQADV REVDAT 3 18-APR-18 1JKB 1 REMARK REVDAT 2 24-FEB-09 1JKB 1 VERSN REVDAT 1 15-MAY-97 1JKB 0 JRNL AUTH M.MURAKI,S.GODA,H.NAGAHORA,K.HARATA JRNL TITL IMPORTANCE OF VAN DER WAALS CONTACT BETWEEN GLU 35 AND TRP JRNL TITL 2 109 TO THE CATALYTIC ACTION OF HUMAN LYSOZYME. JRNL REF PROTEIN SCI. V. 6 473 1997 JRNL REFN ISSN 0961-8368 JRNL PMID 9041653 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.MURAKI,M.MORIKAWA,Y.JIGAMI,H.TANAKA REMARK 1 TITL THE ROLES OF CONSERVED AROMATIC AMINO-ACID RESIDUES IN THE REMARK 1 TITL 2 ACTIVE SITE OF HUMAN LYSOZYME: A SITE-SPECIFIC MUTAGENESIS REMARK 1 TITL 3 STUDY REMARK 1 REF BIOCHIM.BIOPHYS.ACTA V. 916 66 1987 REMARK 1 REFN ISSN 0006-3002 REMARK 2 REMARK 2 RESOLUTION. 1.66 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.66 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 3.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 11484 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : 0.178 REMARK 3 FREE R VALUE : 0.202 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1025 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 8 REMARK 3 SOLVENT ATOMS : 89 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 14.59 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.20 REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.008 REMARK 3 BOND ANGLES (DEGREES) : 1.498 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.40 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.313 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : 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 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 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1JKB COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000174335. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : 4.5 REMARK 200 NUMBER OF CRYSTALS USED : NULL 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 FR571 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 : DIFFRACTOMETER REMARK 200 DETECTOR MANUFACTURER : ENRAF-NONIUS FAST REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MADNES REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 12639 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.660 REMARK 200 RESOLUTION RANGE LOW (A) : 22.400 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 89.1 REMARK 200 DATA REDUNDANCY : 3.400 REMARK 200 R MERGE (I) : 0.03300 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: PDB ENTRY 1LZ1 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 37.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.96 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 3 M NH4NO3 IN 20 MM NA ACETATE (PH4.5) REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 28.47500 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 16.58000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 30.48500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 16.58000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 28.47500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 30.48500 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NO3 A 131 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NO3 A 132 DBREF 1JKB A 1 130 UNP P61626 LYSC_HUMAN 19 148 SEQADV 1JKB ALA A 35 UNP P61626 GLU 53 ENGINEERED MUTATION SEQRES 1 A 130 LYS VAL PHE GLU ARG CYS GLU LEU ALA ARG THR LEU LYS SEQRES 2 A 130 ARG LEU GLY MET ASP GLY TYR ARG GLY ILE SER LEU ALA SEQRES 3 A 130 ASN TRP MET CYS LEU ALA LYS TRP ALA SER GLY TYR ASN SEQRES 4 A 130 THR ARG ALA THR ASN TYR ASN ALA GLY ASP ARG SER THR SEQRES 5 A 130 ASP TYR GLY ILE PHE GLN ILE ASN SER ARG TYR TRP CYS SEQRES 6 A 130 ASN ASP GLY LYS THR PRO GLY ALA VAL ASN ALA CYS HIS SEQRES 7 A 130 LEU SER CYS SER ALA LEU LEU GLN ASP ASN ILE ALA ASP SEQRES 8 A 130 ALA VAL ALA CYS ALA LYS ARG VAL VAL ARG ASP PRO GLN SEQRES 9 A 130 GLY ILE ARG ALA TRP VAL ALA TRP ARG ASN ARG CYS GLN SEQRES 10 A 130 ASN ARG ASP VAL ARG GLN TYR VAL GLN GLY CYS GLY VAL HET NO3 A 131 4 HET NO3 A 132 4 HETNAM NO3 NITRATE ION FORMUL 2 NO3 2(N O3 1-) FORMUL 4 HOH *89(H2 O) HELIX 1 1 ARG A 5 ARG A 14 1 10 HELIX 2 2 TYR A 20 GLY A 22 5 3 HELIX 3 3 LEU A 25 SER A 36 1 12 HELIX 4 4 CYS A 81 LEU A 85 5 5 HELIX 5 5 ALA A 90 ARG A 101 1 12 HELIX 6 6 GLY A 105 ALA A 108 5 4 HELIX 7 7 VAL A 110 ARG A 115 1 6 HELIX 8 8 ARG A 122 VAL A 125 5 4 SHEET 1 A 2 THR A 43 ASN A 46 0 SHEET 2 A 2 SER A 51 TYR A 54 -1 N ASP A 53 O ASN A 44 SSBOND 1 CYS A 6 CYS A 128 1555 1555 2.03 SSBOND 2 CYS A 30 CYS A 116 1555 1555 2.03 SSBOND 3 CYS A 65 CYS A 81 1555 1555 2.04 SSBOND 4 CYS A 77 CYS A 95 1555 1555 2.04 SITE 1 AC1 5 GLU A 4 CYS A 6 GLU A 7 ARG A 14 SITE 2 AC1 5 HOH A 155 SITE 1 AC2 7 ASN A 27 ASN A 66 ASN A 75 SER A 80 SITE 2 AC2 7 ARG A 122 HOH A 135 HOH A 188 CRYST1 56.950 60.970 33.160 90.00 90.00 90.00 P 21 21 21 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.017559 0.000000 0.000000 0.00000 SCALE2 0.000000 0.016402 0.000000 0.00000 SCALE3 0.000000 0.000000 0.030157 0.00000 ATOM 1 N LYS A 1 1.300 19.462 22.166 1.00 10.50 N ATOM 2 CA LYS A 1 1.961 20.434 21.263 1.00 11.56 C ATOM 3 C LYS A 1 3.248 19.864 20.686 1.00 10.17 C ATOM 4 O LYS A 1 4.000 19.174 21.380 1.00 10.20 O ATOM 5 CB LYS A 1 2.266 21.714 22.051 1.00 13.18 C ATOM 6 CG LYS A 1 3.185 22.699 21.359 1.00 17.85 C ATOM 7 CD LYS A 1 3.419 23.940 22.195 1.00 16.17 C ATOM 8 CE LYS A 1 4.329 24.885 21.460 1.00 18.40 C ATOM 9 NZ LYS A 1 4.464 26.157 22.209 1.00 22.25 N ATOM 10 N VAL A 2 3.438 20.067 19.384 1.00 9.96 N ATOM 11 CA VAL A 2 4.661 19.638 18.706 1.00 10.18 C ATOM 12 C VAL A 2 5.438 20.933 18.442 1.00 9.50 C ATOM 13 O VAL A 2 4.992 21.806 17.684 1.00 8.17 O ATOM 14 CB VAL A 2 4.387 18.902 17.360 1.00 11.28 C ATOM 15 CG1 VAL A 2 5.717 18.551 16.653 1.00 10.18 C ATOM 16 CG2 VAL A 2 3.570 17.631 17.600 1.00 10.46 C ATOM 17 N PHE A 3 6.553 21.086 19.143 1.00 7.52 N ATOM 18 CA PHE A 3 7.384 22.257 18.998 1.00 8.10 C ATOM 19 C PHE A 3 8.137 22.251 17.693 1.00 8.48 C ATOM 20 O PHE A 3 8.417 21.195 17.138 1.00 7.73 O ATOM 21 CB PHE A 3 8.440 22.298 20.113 1.00 8.75 C ATOM 22 CG PHE A 3 7.940 22.852 21.417 1.00 8.79 C ATOM 23 CD1 PHE A 3 7.156 22.074 22.278 1.00 9.99 C ATOM 24 CD2 PHE A 3 8.266 24.145 21.796 1.00 8.36 C ATOM 25 CE1 PHE A 3 6.707 22.587 23.498 1.00 10.35 C ATOM 26 CE2 PHE A 3 7.826 24.664 23.003 1.00 9.48 C ATOM 27 CZ PHE A 3 7.044 23.881 23.862 1.00 10.09 C ATOM 28 N GLU A 4 8.452 23.447 17.209 1.00 8.94 N ATOM 29 CA GLU A 4 9.298 23.622 16.042 1.00 10.28 C ATOM 30 C GLU A 4 10.671 23.572 16.709 1.00 8.85 C ATOM 31 O GLU A 4 10.809 23.992 17.861 1.00 7.45 O ATOM 32 CB GLU A 4 9.079 25.006 15.440 1.00 17.57 C ATOM 33 CG GLU A 4 7.806 25.117 14.616 1.00 27.19 C ATOM 34 CD GLU A 4 7.830 24.260 13.384 1.00 34.11 C ATOM 35 OE1 GLU A 4 8.580 24.639 12.450 1.00 40.60 O ATOM 36 OE2 GLU A 4 7.092 23.245 13.296 1.00 39.00 O ATOM 37 N ARG A 5 11.688 23.134 15.980 1.00 7.19 N ATOM 38 CA ARG A 5 13.051 23.015 16.522 1.00 8.51 C ATOM 39 C ARG A 5 13.611 24.240 17.275 1.00 8.58 C ATOM 40 O ARG A 5 13.947 24.154 18.468 1.00 6.57 O ATOM 41 CB ARG A 5 14.020 22.617 15.392 1.00 8.40 C ATOM 42 CG ARG A 5 15.443 22.399 15.848 1.00 8.47 C ATOM 43 CD ARG A 5 16.332 21.985 14.690 1.00 10.54 C ATOM 44 NE ARG A 5 16.450 23.011 13.651 1.00 12.73 N ATOM 45 CZ ARG A 5 17.432 23.905 13.587 1.00 13.86 C ATOM 46 NH1 ARG A 5 18.372 23.929 14.524 1.00 15.80 N ATOM 47 NH2 ARG A 5 17.457 24.797 12.600 1.00 15.48 N ATOM 48 N CYS A 6 13.716 25.376 16.591 1.00 6.45 N ATOM 49 CA CYS A 6 14.260 26.582 17.223 1.00 6.47 C ATOM 50 C CYS A 6 13.382 27.181 18.314 1.00 6.13 C ATOM 51 O CYS A 6 13.901 27.795 19.247 1.00 6.35 O ATOM 52 CB CYS A 6 14.617 27.627 16.167 1.00 8.27 C ATOM 53 SG CYS A 6 16.018 27.059 15.168 1.00 9.93 S ATOM 54 N GLU A 7 12.069 26.980 18.197 1.00 5.19 N ATOM 55 CA GLU A 7 11.110 27.444 19.194 1.00 5.99 C ATOM 56 C GLU A 7 11.424 26.729 20.525 1.00 6.14 C ATOM 57 O GLU A 7 11.481 27.354 21.586 1.00 5.27 O ATOM 58 CB GLU A 7 9.692 27.101 18.741 1.00 9.14 C ATOM 59 CG GLU A 7 8.620 27.379 19.781 1.00 15.48 C ATOM 60 CD GLU A 7 7.254 26.791 19.423 1.00 19.05 C ATOM 61 OE1 GLU A 7 7.154 25.927 18.511 1.00 19.33 O ATOM 62 OE2 GLU A 7 6.275 27.188 20.087 1.00 19.62 O ATOM 63 N LEU A 8 11.625 25.413 20.453 1.00 5.58 N ATOM 64 CA LEU A 8 11.959 24.634 21.634 1.00 6.05 C ATOM 65 C LEU A 8 13.332 25.047 22.185 1.00 3.74 C ATOM 66 O LEU A 8 13.493 25.206 23.389 1.00 4.80 O ATOM 67 CB LEU A 8 11.950 23.132 21.311 1.00 5.98 C ATOM 68 CG LEU A 8 12.373 22.224 22.478 1.00 5.80 C ATOM 69 CD1 LEU A 8 11.386 22.388 23.617 1.00 7.08 C ATOM 70 CD2 LEU A 8 12.472 20.757 22.036 1.00 7.60 C ATOM 71 N ALA A 9 14.321 25.228 21.314 1.00 4.35 N ATOM 72 CA ALA A 9 15.659 25.608 21.763 1.00 5.31 C ATOM 73 C ALA A 9 15.609 26.902 22.590 1.00 6.05 C ATOM 74 O ALA A 9 16.211 26.982 23.669 1.00 5.85 O ATOM 75 CB ALA A 9 16.598 25.760 20.563 1.00 6.10 C ATOM 76 N ARG A 10 14.870 27.898 22.110 1.00 7.14 N ATOM 77 CA ARG A 10 14.757 29.160 22.842 1.00 7.58 C ATOM 78 C ARG A 10 13.999 28.980 24.152 1.00 5.86 C ATOM 79 O ARG A 10 14.358 29.580 25.174 1.00 6.77 O ATOM 80 CB ARG A 10 14.082 30.236 21.989 1.00 8.82 C ATOM 81 CG ARG A 10 14.969 30.774 20.851 1.00 9.53 C ATOM 82 CD ARG A 10 14.294 31.980 20.154 1.00 11.77 C ATOM 83 NE ARG A 10 13.047 31.616 19.476 1.00 12.41 N ATOM 84 CZ ARG A 10 12.992 31.135 18.234 1.00 12.41 C ATOM 85 NH1 ARG A 10 14.101 30.961 17.525 1.00 12.94 N ATOM 86 NH2 ARG A 10 11.825 30.831 17.698 1.00 13.77 N ATOM 87 N THR A 11 12.967 28.144 24.128 1.00 4.96 N ATOM 88 CA THR A 11 12.178 27.884 25.322 1.00 6.49 C ATOM 89 C THR A 11 13.046 27.234 26.410 1.00 6.32 C ATOM 90 O THR A 11 13.001 27.640 27.577 1.00 6.48 O ATOM 91 CB THR A 11 10.992 26.981 24.990 1.00 7.35 C ATOM 92 OG1 THR A 11 10.147 27.646 24.039 1.00 9.38 O ATOM 93 CG2 THR A 11 10.201 26.653 26.244 1.00 7.08 C ATOM 94 N LEU A 12 13.853 26.252 26.017 1.00 6.00 N ATOM 95 CA LEU A 12 14.714 25.564 26.974 1.00 6.85 C ATOM 96 C LEU A 12 15.783 26.500 27.538 1.00 7.55 C ATOM 97 O LEU A 12 16.152 26.410 28.725 1.00 9.36 O ATOM 98 CB LEU A 12 15.368 24.322 26.349 1.00 7.19 C ATOM 99 CG LEU A 12 14.442 23.152 25.979 1.00 8.52 C ATOM 100 CD1 LEU A 12 15.240 22.029 25.308 1.00 9.30 C ATOM 101 CD2 LEU A 12 13.721 22.630 27.206 1.00 7.88 C ATOM 102 N LYS A 13 16.292 27.396 26.702 1.00 6.14 N ATOM 103 CA LYS A 13 17.315 28.333 27.156 1.00 7.65 C ATOM 104 C LYS A 13 16.722 29.240 28.239 1.00 7.06 C ATOM 105 O LYS A 13 17.314 29.426 29.305 1.00 7.34 O ATOM 106 CB LYS A 13 17.834 29.174 25.981 1.00 10.01 C ATOM 107 CG LYS A 13 19.033 30.038 26.351 1.00 14.48 C ATOM 108 CD LYS A 13 20.022 30.164 25.205 1.00 19.93 C ATOM 109 CE LYS A 13 21.358 30.725 25.693 1.00 23.07 C ATOM 110 NZ LYS A 13 21.206 32.067 26.357 1.00 27.79 N ATOM 111 N ARG A 14 15.520 29.745 27.972 1.00 6.89 N ATOM 112 CA ARG A 14 14.816 30.636 28.894 1.00 8.73 C ATOM 113 C ARG A 14 14.534 29.924 30.213 1.00 9.37 C ATOM 114 O ARG A 14 14.490 30.554 31.280 1.00 8.62 O ATOM 115 CB ARG A 14 13.494 31.051 28.253 1.00 13.85 C ATOM 116 CG ARG A 14 12.860 32.310 28.782 1.00 21.17 C ATOM 117 CD ARG A 14 11.485 32.536 28.126 1.00 22.68 C ATOM 118 NE ARG A 14 11.573 32.557 26.671 1.00 27.16 N ATOM 119 CZ ARG A 14 10.874 31.752 25.867 1.00 28.50 C ATOM 120 NH1 ARG A 14 10.023 30.854 26.392 1.00 29.95 N ATOM 121 NH2 ARG A 14 11.015 31.826 24.549 1.00 28.87 N ATOM 122 N LEU A 15 14.325 28.607 30.132 1.00 7.98 N ATOM 123 CA LEU A 15 14.035 27.796 31.316 1.00 9.31 C ATOM 124 C LEU A 15 15.284 27.308 32.063 1.00 8.18 C ATOM 125 O LEU A 15 15.186 26.506 32.982 1.00 9.36 O ATOM 126 CB LEU A 15 13.082 26.640 30.967 1.00 9.65 C ATOM 127 CG LEU A 15 11.644 27.073 30.603 1.00 10.82 C ATOM 128 CD1 LEU A 15 10.858 25.890 30.055 1.00 10.96 C ATOM 129 CD2 LEU A 15 10.910 27.671 31.808 1.00 9.43 C ATOM 130 N GLY A 16 16.449 27.805 31.669 1.00 6.19 N ATOM 131 CA GLY A 16 17.677 27.470 32.355 1.00 6.07 C ATOM 132 C GLY A 16 18.313 26.135 32.056 1.00 5.96 C ATOM 133 O GLY A 16 19.110 25.644 32.854 1.00 7.31 O ATOM 134 N MET A 17 18.027 25.563 30.895 1.00 5.44 N ATOM 135 CA MET A 17 18.609 24.266 30.563 1.00 7.00 C ATOM 136 C MET A 17 20.033 24.268 29.993 1.00 8.18 C ATOM 137 O MET A 17 20.745 23.265 30.093 1.00 8.90 O ATOM 138 CB MET A 17 17.667 23.487 29.652 1.00 7.31 C ATOM 139 CG MET A 17 16.365 23.142 30.334 1.00 9.84 C ATOM 140 SD MET A 17 16.621 21.866 31.564 1.00 13.40 S ATOM 141 CE MET A 17 15.997 20.469 30.676 1.00 14.84 C ATOM 142 N ASP A 18 20.461 25.389 29.422 1.00 8.74 N ATOM 143 CA ASP A 18 21.791 25.463 28.831 1.00 9.07 C ATOM 144 C ASP A 18 22.895 25.375 29.879 1.00 9.39 C ATOM 145 O ASP A 18 23.077 26.290 30.683 1.00 9.44 O ATOM 146 CB ASP A 18 21.937 26.743 28.003 1.00 12.14 C ATOM 147 CG ASP A 18 23.069 26.656 26.983 1.00 17.52 C ATOM 148 OD1 ASP A 18 23.631 25.553 26.775 1.00 16.65 O ATOM 149 OD2 ASP A 18 23.379 27.696 26.370 1.00 22.38 O ATOM 150 N GLY A 19 23.615 24.261 29.877 1.00 7.06 N ATOM 151 CA GLY A 19 24.694 24.083 30.817 1.00 6.82 C ATOM 152 C GLY A 19 24.266 23.555 32.168 1.00 7.54 C ATOM 153 O GLY A 19 25.095 23.485 33.088 1.00 8.90 O ATOM 154 N TYR A 20 22.987 23.187 32.307 1.00 8.54 N ATOM 155 CA TYR A 20 22.495 22.644 33.568 1.00 7.54 C ATOM 156 C TYR A 20 23.214 21.333 33.871 1.00 7.88 C ATOM 157 O TYR A 20 23.129 20.370 33.113 1.00 6.51 O ATOM 158 CB TYR A 20 20.985 22.412 33.547 1.00 6.44 C ATOM 159 CG TYR A 20 20.463 22.099 34.927 1.00 7.76 C ATOM 160 CD1 TYR A 20 20.228 23.123 35.847 1.00 10.85 C ATOM 161 CD2 TYR A 20 20.295 20.781 35.352 1.00 9.24 C ATOM 162 CE1 TYR A 20 19.827 22.845 37.152 1.00 11.06 C ATOM 163 CE2 TYR A 20 19.892 20.490 36.653 1.00 9.99 C ATOM 164 CZ TYR A 20 19.668 21.527 37.552 1.00 13.00 C ATOM 165 OH TYR A 20 19.240 21.249 38.835 1.00 13.54 O ATOM 166 N ARG A 21 23.936 21.313 34.989 1.00 9.45 N ATOM 167 CA ARG A 21 24.718 20.160 35.416 1.00 9.89 C ATOM 168 C ARG A 21 25.688 19.736 34.317 1.00 8.39 C ATOM 169 O ARG A 21 25.940 18.545 34.119 1.00 9.25 O ATOM 170 CB ARG A 21 23.802 19.018 35.850 1.00 11.86 C ATOM 171 CG ARG A 21 23.394 19.090 37.311 1.00 18.42 C ATOM 172 CD ARG A 21 24.295 18.199 38.153 1.00 24.43 C ATOM 173 NE ARG A 21 24.345 16.847 37.589 1.00 30.47 N ATOM 174 CZ ARG A 21 24.840 15.777 38.209 1.00 31.67 C ATOM 175 NH1 ARG A 21 25.348 15.888 39.430 1.00 31.52 N ATOM 176 NH2 ARG A 21 24.835 14.588 37.596 1.00 31.28 N ATOM 177 N GLY A 22 26.244 20.729 33.621 1.00 6.24 N ATOM 178 CA GLY A 22 27.214 20.475 32.571 1.00 6.80 C ATOM 179 C GLY A 22 26.680 19.983 31.235 1.00 7.14 C ATOM 180 O GLY A 22 27.463 19.585 30.368 1.00 8.01 O ATOM 181 N ILE A 23 25.359 20.028 31.064 1.00 6.78 N ATOM 182 CA ILE A 23 24.706 19.548 29.839 1.00 5.58 C ATOM 183 C ILE A 23 24.334 20.693 28.916 1.00 6.01 C ATOM 184 O ILE A 23 23.505 21.534 29.259 1.00 5.90 O ATOM 185 CB ILE A 23 23.426 18.763 30.165 1.00 5.51 C ATOM 186 CG1 ILE A 23 23.732 17.635 31.153 1.00 5.83 C ATOM 187 CG2 ILE A 23 22.791 18.228 28.884 1.00 4.36 C ATOM 188 CD1 ILE A 23 22.502 17.006 31.786 1.00 6.64 C ATOM 189 N SER A 24 24.899 20.674 27.716 1.00 5.74 N ATOM 190 CA SER A 24 24.647 21.708 26.728 1.00 7.38 C ATOM 191 C SER A 24 23.212 21.650 26.167 1.00 7.09 C ATOM 192 O SER A 24 22.577 20.599 26.150 1.00 5.35 O ATOM 193 CB SER A 24 25.660 21.580 25.580 1.00 6.68 C ATOM 194 OG SER A 24 25.371 20.456 24.773 1.00 6.61 O ATOM 195 N LEU A 25 22.722 22.788 25.688 1.00 6.40 N ATOM 196 CA LEU A 25 21.388 22.860 25.101 1.00 8.57 C ATOM 197 C LEU A 25 21.238 21.842 23.941 1.00 8.36 C ATOM 198 O LEU A 25 20.201 21.189 23.812 1.00 6.43 O ATOM 199 CB LEU A 25 21.149 24.274 24.586 1.00 9.65 C ATOM 200 CG LEU A 25 19.736 24.721 24.273 1.00 13.68 C ATOM 201 CD1 LEU A 25 18.890 24.637 25.531 1.00 15.73 C ATOM 202 CD2 LEU A 25 19.781 26.155 23.777 1.00 12.18 C ATOM 203 N ALA A 26 22.279 21.709 23.111 1.00 7.27 N ATOM 204 CA ALA A 26 22.267 20.781 21.977 1.00 7.04 C ATOM 205 C ALA A 26 22.003 19.349 22.414 1.00 6.81 C ATOM 206 O ALA A 26 21.296 18.597 21.730 1.00 6.56 O ATOM 207 CB ALA A 26 23.574 20.864 21.199 1.00 9.18 C ATOM 208 N ASN A 27 22.577 18.970 23.551 1.00 6.80 N ATOM 209 CA ASN A 27 22.365 17.632 24.100 1.00 6.63 C ATOM 210 C ASN A 27 20.911 17.446 24.527 1.00 6.20 C ATOM 211 O ASN A 27 20.325 16.395 24.280 1.00 7.03 O ATOM 212 CB ASN A 27 23.336 17.363 25.252 1.00 6.76 C ATOM 213 CG ASN A 27 24.672 16.836 24.754 1.00 8.39 C ATOM 214 OD1 ASN A 27 24.748 15.730 24.202 1.00 10.11 O ATOM 215 ND2 ASN A 27 25.718 17.625 24.907 1.00 9.37 N ATOM 216 N TRP A 28 20.322 18.473 25.139 1.00 4.89 N ATOM 217 CA TRP A 28 18.912 18.406 25.545 1.00 5.52 C ATOM 218 C TRP A 28 18.021 18.327 24.292 1.00 5.18 C ATOM 219 O TRP A 28 17.029 17.590 24.265 1.00 5.58 O ATOM 220 CB TRP A 28 18.506 19.638 26.365 1.00 6.83 C ATOM 221 CG TRP A 28 19.047 19.694 27.776 1.00 6.37 C ATOM 222 CD1 TRP A 28 19.931 20.620 28.294 1.00 7.31 C ATOM 223 CD2 TRP A 28 18.675 18.846 28.870 1.00 6.46 C ATOM 224 NE1 TRP A 28 20.114 20.395 29.645 1.00 6.77 N ATOM 225 CE2 TRP A 28 19.349 19.312 30.022 1.00 6.69 C ATOM 226 CE3 TRP A 28 17.816 17.739 28.989 1.00 6.63 C ATOM 227 CZ2 TRP A 28 19.203 18.707 31.272 1.00 7.18 C ATOM 228 CZ3 TRP A 28 17.673 17.135 30.241 1.00 7.02 C ATOM 229 CH2 TRP A 28 18.360 17.623 31.360 1.00 6.85 C ATOM 230 N MET A 29 18.382 19.086 23.256 1.00 4.53 N ATOM 231 CA MET A 29 17.614 19.107 22.015 1.00 5.43 C ATOM 232 C MET A 29 17.672 17.743 21.345 1.00 6.23 C ATOM 233 O MET A 29 16.656 17.226 20.867 1.00 7.04 O ATOM 234 CB MET A 29 18.138 20.188 21.055 1.00 5.50 C ATOM 235 CG MET A 29 17.787 21.618 21.453 1.00 6.04 C ATOM 236 SD MET A 29 16.014 21.890 21.392 1.00 9.91 S ATOM 237 CE MET A 29 15.730 21.701 19.642 1.00 9.93 C ATOM 238 N CYS A 30 18.868 17.171 21.290 1.00 4.62 N ATOM 239 CA CYS A 30 19.039 15.854 20.694 1.00 5.72 C ATOM 240 C CYS A 30 18.161 14.826 21.438 1.00 5.96 C ATOM 241 O CYS A 30 17.480 14.009 20.810 1.00 6.24 O ATOM 242 CB CYS A 30 20.519 15.459 20.725 1.00 6.48 C ATOM 243 SG CYS A 30 20.870 13.872 19.895 1.00 8.64 S ATOM 244 N LEU A 31 18.122 14.916 22.767 1.00 6.09 N ATOM 245 CA LEU A 31 17.299 13.997 23.551 1.00 6.53 C ATOM 246 C LEU A 31 15.814 14.152 23.197 1.00 7.40 C ATOM 247 O LEU A 31 15.154 13.161 22.860 1.00 6.79 O ATOM 248 CB LEU A 31 17.506 14.211 25.061 1.00 6.43 C ATOM 249 CG LEU A 31 16.554 13.478 26.027 1.00 8.48 C ATOM 250 CD1 LEU A 31 16.660 11.968 25.870 1.00 7.66 C ATOM 251 CD2 LEU A 31 16.857 13.893 27.471 1.00 10.65 C ATOM 252 N ALA A 32 15.288 15.382 23.253 1.00 6.51 N ATOM 253 CA ALA A 32 13.868 15.644 22.941 1.00 6.07 C ATOM 254 C ALA A 32 13.492 15.168 21.530 1.00 5.94 C ATOM 255 O ALA A 32 12.413 14.610 21.315 1.00 7.33 O ATOM 256 CB ALA A 32 13.534 17.149 23.098 1.00 6.36 C ATOM 257 N LYS A 33 14.382 15.400 20.571 1.00 5.97 N ATOM 258 CA LYS A 33 14.127 14.994 19.189 1.00 8.30 C ATOM 259 C LYS A 33 13.900 13.486 19.091 1.00 7.94 C ATOM 260 O LYS A 33 12.868 13.043 18.582 1.00 9.31 O ATOM 261 CB LYS A 33 15.299 15.401 18.290 1.00 11.24 C ATOM 262 CG LYS A 33 14.950 15.499 16.801 1.00 16.95 C ATOM 263 CD LYS A 33 14.950 14.158 16.110 1.00 25.15 C ATOM 264 CE LYS A 33 14.886 14.334 14.595 1.00 29.27 C ATOM 265 NZ LYS A 33 16.106 15.053 14.087 1.00 35.38 N ATOM 266 N TRP A 34 14.846 12.706 19.604 1.00 6.88 N ATOM 267 CA TRP A 34 14.743 11.258 19.542 1.00 7.12 C ATOM 268 C TRP A 34 13.812 10.615 20.557 1.00 8.46 C ATOM 269 O TRP A 34 13.275 9.544 20.311 1.00 10.69 O ATOM 270 CB TRP A 34 16.134 10.641 19.572 1.00 7.32 C ATOM 271 CG TRP A 34 16.891 11.086 18.385 1.00 8.46 C ATOM 272 CD1 TRP A 34 17.895 11.998 18.357 1.00 9.57 C ATOM 273 CD2 TRP A 34 16.627 10.719 17.034 1.00 11.20 C ATOM 274 NE1 TRP A 34 18.274 12.241 17.060 1.00 11.38 N ATOM 275 CE2 TRP A 34 17.515 11.469 16.219 1.00 10.67 C ATOM 276 CE3 TRP A 34 15.734 9.836 16.411 1.00 12.01 C ATOM 277 CZ2 TRP A 34 17.532 11.360 14.823 1.00 14.07 C ATOM 278 CZ3 TRP A 34 15.748 9.721 15.013 1.00 14.52 C ATOM 279 CH2 TRP A 34 16.642 10.482 14.239 1.00 15.70 C ATOM 280 N ALA A 35 13.558 11.282 21.671 1.00 7.97 N ATOM 281 CA ALA A 35 12.660 10.705 22.650 1.00 7.49 C ATOM 282 C ALA A 35 11.214 10.854 22.229 1.00 7.61 C ATOM 283 O ALA A 35 10.447 9.894 22.254 1.00 7.49 O ATOM 284 CB ALA A 35 12.862 11.341 24.011 1.00 7.57 C ATOM 285 N SER A 36 10.849 12.048 21.794 1.00 7.65 N ATOM 286 CA SER A 36 9.453 12.299 21.462 1.00 7.31 C ATOM 287 C SER A 36 9.171 12.990 20.131 1.00 7.84 C ATOM 288 O SER A 36 8.009 13.147 19.755 1.00 7.78 O ATOM 289 CB SER A 36 8.877 13.176 22.567 1.00 8.15 C ATOM 290 OG SER A 36 9.445 14.477 22.483 1.00 6.88 O ATOM 291 N GLY A 37 10.212 13.413 19.427 1.00 7.30 N ATOM 292 CA GLY A 37 9.998 14.152 18.202 1.00 8.88 C ATOM 293 C GLY A 37 9.459 15.532 18.562 1.00 8.87 C ATOM 294 O GLY A 37 8.646 16.091 17.812 1.00 9.61 O ATOM 295 N TYR A 38 9.876 16.056 19.722 1.00 7.36 N ATOM 296 CA TYR A 38 9.456 17.377 20.232 1.00 7.67 C ATOM 297 C TYR A 38 7.945 17.459 20.480 1.00 7.10 C ATOM 298 O TYR A 38 7.343 18.535 20.378 1.00 7.74 O ATOM 299 CB TYR A 38 9.822 18.500 19.247 1.00 6.46 C ATOM 300 CG TYR A 38 11.253 18.528 18.752 1.00 5.68 C ATOM 301 CD1 TYR A 38 12.329 18.343 19.612 1.00 6.00 C ATOM 302 CD2 TYR A 38 11.523 18.797 17.410 1.00 8.88 C ATOM 303 CE1 TYR A 38 13.640 18.451 19.155 1.00 7.78 C ATOM 304 CE2 TYR A 38 12.821 18.904 16.945 1.00 9.79 C ATOM 305 CZ TYR A 38 13.874 18.724 17.814 1.00 9.48 C ATOM 306 OH TYR A 38 15.162 18.834 17.345 1.00 10.50 O ATOM 307 N ASN A 39 7.347 16.327 20.829 1.00 7.56 N ATOM 308 CA ASN A 39 5.908 16.243 21.052 1.00 7.16 C ATOM 309 C ASN A 39 5.586 16.077 22.540 1.00 9.05 C ATOM 310 O ASN A 39 5.956 15.065 23.150 1.00 7.76 O ATOM 311 CB ASN A 39 5.380 15.048 20.248 1.00 8.42 C ATOM 312 CG ASN A 39 3.872 14.890 20.320 1.00 9.27 C ATOM 313 OD1 ASN A 39 3.150 15.694 20.920 1.00 8.75 O ATOM 314 ND2 ASN A 39 3.388 13.831 19.699 1.00 10.48 N ATOM 315 N THR A 40 4.887 17.060 23.117 1.00 7.72 N ATOM 316 CA THR A 40 4.523 17.019 24.538 1.00 8.26 C ATOM 317 C THR A 40 3.479 15.948 24.879 1.00 8.01 C ATOM 318 O THR A 40 3.356 15.564 26.035 1.00 8.20 O ATOM 319 CB THR A 40 3.990 18.393 25.057 1.00 7.99 C ATOM 320 OG1 THR A 40 2.843 18.778 24.293 1.00 8.28 O ATOM 321 CG2 THR A 40 5.049 19.474 24.930 1.00 9.53 C ATOM 322 N ARG A 41 2.736 15.482 23.878 1.00 9.75 N ATOM 323 CA ARG A 41 1.677 14.487 24.102 1.00 14.26 C ATOM 324 C ARG A 41 2.141 13.038 23.996 1.00 13.10 C ATOM 325 O ARG A 41 1.371 12.118 24.269 1.00 15.19 O ATOM 326 CB ARG A 41 0.533 14.700 23.106 1.00 16.68 C ATOM 327 CG ARG A 41 0.005 16.115 23.066 1.00 23.87 C ATOM 328 CD ARG A 41 -0.561 16.458 21.676 1.00 31.85 C ATOM 329 NE ARG A 41 0.419 17.067 20.766 1.00 33.56 N ATOM 330 CZ ARG A 41 0.095 17.897 19.771 1.00 39.22 C ATOM 331 NH1 ARG A 41 -1.172 18.241 19.538 1.00 39.21 N ATOM 332 NH2 ARG A 41 1.043 18.378 18.982 1.00 41.75 N ATOM 333 N ALA A 42 3.388 12.833 23.594 1.00 11.19 N ATOM 334 CA ALA A 42 3.914 11.485 23.432 1.00 10.79 C ATOM 335 C ALA A 42 3.866 10.638 24.702 1.00 11.61 C ATOM 336 O ALA A 42 4.192 11.114 25.790 1.00 10.53 O ATOM 337 CB ALA A 42 5.347 11.549 22.925 1.00 12.07 C ATOM 338 N THR A 43 3.415 9.396 24.560 1.00 12.67 N ATOM 339 CA THR A 43 3.399 8.454 25.676 1.00 14.15 C ATOM 340 C THR A 43 3.774 7.121 25.090 1.00 15.70 C ATOM 341 O THR A 43 3.482 6.833 23.925 1.00 15.39 O ATOM 342 CB THR A 43 2.022 8.274 26.366 1.00 16.39 C ATOM 343 OG1 THR A 43 1.054 7.841 25.407 1.00 19.39 O ATOM 344 CG2 THR A 43 1.565 9.547 27.036 1.00 16.45 C ATOM 345 N ASN A 44 4.462 6.327 25.884 1.00 14.29 N ATOM 346 CA ASN A 44 4.858 5.015 25.444 1.00 17.54 C ATOM 347 C ASN A 44 4.788 4.065 26.618 1.00 15.49 C ATOM 348 O ASN A 44 5.456 4.269 27.627 1.00 14.49 O ATOM 349 CB ASN A 44 6.258 5.048 24.836 1.00 22.46 C ATOM 350 CG ASN A 44 6.249 5.599 23.417 1.00 30.86 C ATOM 351 OD1 ASN A 44 6.778 6.690 23.149 1.00 33.87 O ATOM 352 ND2 ASN A 44 5.610 4.865 22.503 1.00 30.90 N ATOM 353 N TYR A 45 3.907 3.079 26.498 1.00 14.66 N ATOM 354 CA TYR A 45 3.719 2.072 27.530 1.00 14.14 C ATOM 355 C TYR A 45 4.741 0.962 27.354 1.00 14.31 C ATOM 356 O TYR A 45 4.973 0.487 26.240 1.00 16.20 O ATOM 357 CB TYR A 45 2.302 1.497 27.455 1.00 14.03 C ATOM 358 CG TYR A 45 2.014 0.425 28.484 1.00 13.90 C ATOM 359 CD1 TYR A 45 1.993 0.728 29.843 1.00 11.56 C ATOM 360 CD2 TYR A 45 1.729 -0.885 28.088 1.00 14.87 C ATOM 361 CE1 TYR A 45 1.716 -0.256 30.786 1.00 15.81 C ATOM 362 CE2 TYR A 45 1.451 -1.876 29.024 1.00 16.55 C ATOM 363 CZ TYR A 45 1.433 -1.557 30.360 1.00 17.82 C ATOM 364 OH TYR A 45 1.148 -2.531 31.288 1.00 20.96 O ATOM 365 N ASN A 46 5.355 0.567 28.463 1.00 13.55 N ATOM 366 CA ASN A 46 6.364 -0.485 28.485 1.00 15.87 C ATOM 367 C ASN A 46 5.656 -1.688 29.103 1.00 15.84 C ATOM 368 O ASN A 46 5.599 -1.833 30.326 1.00 16.13 O ATOM 369 CB ASN A 46 7.559 -0.050 29.352 1.00 18.25 C ATOM 370 CG ASN A 46 8.210 1.252 28.858 1.00 21.33 C ATOM 371 OD1 ASN A 46 8.901 1.259 27.837 1.00 22.06 O ATOM 372 ND2 ASN A 46 7.990 2.355 29.584 1.00 19.58 N ATOM 373 N ALA A 47 5.056 -2.511 28.251 1.00 16.06 N ATOM 374 CA ALA A 47 4.307 -3.688 28.695 1.00 16.46 C ATOM 375 C ALA A 47 5.103 -4.615 29.597 1.00 15.93 C ATOM 376 O ALA A 47 4.545 -5.227 30.507 1.00 17.71 O ATOM 377 CB ALA A 47 3.768 -4.460 27.479 1.00 16.54 C ATOM 378 N GLY A 48 6.411 -4.690 29.364 1.00 15.86 N ATOM 379 CA GLY A 48 7.269 -5.553 30.157 1.00 15.66 C ATOM 380 C GLY A 48 7.303 -5.247 31.639 1.00 17.69 C ATOM 381 O GLY A 48 7.190 -6.149 32.467 1.00 19.19 O ATOM 382 N ASP A 49 7.467 -3.980 31.988 1.00 17.18 N ATOM 383 CA ASP A 49 7.523 -3.627 33.392 1.00 17.21 C ATOM 384 C ASP A 49 6.315 -2.826 33.858 1.00 17.86 C ATOM 385 O ASP A 49 6.271 -2.347 34.991 1.00 17.72 O ATOM 386 CB ASP A 49 8.829 -2.893 33.696 1.00 19.80 C ATOM 387 CG ASP A 49 8.924 -1.529 33.021 1.00 22.66 C ATOM 388 OD1 ASP A 49 7.980 -1.094 32.324 1.00 21.29 O ATOM 389 OD2 ASP A 49 9.963 -0.871 33.219 1.00 28.33 O ATOM 390 N ARG A 50 5.369 -2.632 32.943 1.00 16.53 N ATOM 391 CA ARG A 50 4.142 -1.902 33.230 1.00 16.22 C ATOM 392 C ARG A 50 4.329 -0.431 33.621 1.00 14.19 C ATOM 393 O ARG A 50 3.579 0.109 34.429 1.00 15.67 O ATOM 394 CB ARG A 50 3.309 -2.668 34.266 1.00 20.04 C ATOM 395 CG ARG A 50 2.744 -3.973 33.714 1.00 21.89 C ATOM 396 CD ARG A 50 1.873 -4.705 34.718 1.00 25.24 C ATOM 397 NE ARG A 50 2.644 -5.596 35.586 1.00 29.96 N ATOM 398 CZ ARG A 50 2.268 -6.832 35.930 1.00 30.95 C ATOM 399 NH1 ARG A 50 1.113 -7.330 35.484 1.00 30.81 N ATOM 400 NH2 ARG A 50 3.064 -7.582 36.699 1.00 24.60 N ATOM 401 N SER A 51 5.332 0.217 33.041 1.00 11.50 N ATOM 402 CA SER A 51 5.563 1.631 33.310 1.00 10.66 C ATOM 403 C SER A 51 5.288 2.367 32.001 1.00 9.81 C ATOM 404 O SER A 51 5.194 1.742 30.942 1.00 9.27 O ATOM 405 CB SER A 51 6.998 1.888 33.791 1.00 8.53 C ATOM 406 OG SER A 51 7.942 1.696 32.754 1.00 10.13 O ATOM 407 N THR A 52 5.182 3.692 32.064 1.00 9.23 N ATOM 408 CA THR A 52 4.901 4.510 30.892 1.00 6.62 C ATOM 409 C THR A 52 5.832 5.719 30.889 1.00 7.03 C ATOM 410 O THR A 52 6.169 6.250 31.953 1.00 5.35 O ATOM 411 CB THR A 52 3.428 5.012 30.934 1.00 9.34 C ATOM 412 OG1 THR A 52 2.542 3.888 31.018 1.00 8.83 O ATOM 413 CG2 THR A 52 3.078 5.835 29.690 1.00 6.90 C ATOM 414 N ASP A 53 6.316 6.084 29.700 1.00 8.01 N ATOM 415 CA ASP A 53 7.187 7.246 29.529 1.00 7.73 C ATOM 416 C ASP A 53 6.286 8.369 29.064 1.00 6.68 C ATOM 417 O ASP A 53 5.515 8.187 28.113 1.00 8.00 O ATOM 418 CB ASP A 53 8.256 6.966 28.489 1.00 8.19 C ATOM 419 CG ASP A 53 9.175 5.837 28.890 1.00 13.90 C ATOM 420 OD1 ASP A 53 9.620 5.801 30.060 1.00 13.54 O ATOM 421 OD2 ASP A 53 9.450 4.973 28.040 1.00 18.18 O ATOM 422 N TYR A 54 6.398 9.527 29.709 1.00 6.04 N ATOM 423 CA TYR A 54 5.540 10.664 29.417 1.00 6.54 C ATOM 424 C TYR A 54 6.179 11.938 28.891 1.00 5.60 C ATOM 425 O TYR A 54 7.206 12.382 29.397 1.00 6.23 O ATOM 426 CB TYR A 54 4.767 11.068 30.681 1.00 6.72 C ATOM 427 CG TYR A 54 3.748 10.064 31.162 1.00 8.51 C ATOM 428 CD1 TYR A 54 4.121 9.000 32.001 1.00 7.54 C ATOM 429 CD2 TYR A 54 2.398 10.201 30.819 1.00 9.21 C ATOM 430 CE1 TYR A 54 3.175 8.090 32.477 1.00 6.52 C ATOM 431 CE2 TYR A 54 1.445 9.307 31.284 1.00 8.46 C ATOM 432 CZ TYR A 54 1.837 8.254 32.125 1.00 7.42 C ATOM 433 OH TYR A 54 0.873 7.398 32.619 1.00 7.65 O ATOM 434 N GLY A 55 5.517 12.516 27.889 1.00 5.97 N ATOM 435 CA GLY A 55 5.905 13.803 27.338 1.00 7.22 C ATOM 436 C GLY A 55 7.120 13.990 26.474 1.00 5.49 C ATOM 437 O GLY A 55 7.760 13.031 26.043 1.00 6.80 O ATOM 438 N ILE A 56 7.504 15.254 26.347 1.00 5.04 N ATOM 439 CA ILE A 56 8.627 15.643 25.515 1.00 6.55 C ATOM 440 C ILE A 56 9.963 14.978 25.859 1.00 6.53 C ATOM 441 O ILE A 56 10.770 14.709 24.964 1.00 6.89 O ATOM 442 CB ILE A 56 8.738 17.196 25.439 1.00 8.10 C ATOM 443 CG1 ILE A 56 9.551 17.609 24.213 1.00 9.92 C ATOM 444 CG2 ILE A 56 9.324 17.765 26.736 1.00 10.08 C ATOM 445 CD1 ILE A 56 9.330 19.051 23.799 1.00 10.81 C ATOM 446 N PHE A 57 10.191 14.702 27.141 1.00 6.86 N ATOM 447 CA PHE A 57 11.425 14.052 27.583 1.00 8.66 C ATOM 448 C PHE A 57 11.241 12.583 27.899 1.00 8.20 C ATOM 449 O PHE A 57 12.168 11.936 28.369 1.00 8.20 O ATOM 450 CB PHE A 57 12.014 14.771 28.800 1.00 8.50 C ATOM 451 CG PHE A 57 12.546 16.142 28.490 1.00 12.07 C ATOM 452 CD1 PHE A 57 13.503 16.319 27.487 1.00 10.91 C ATOM 453 CD2 PHE A 57 12.084 17.261 29.189 1.00 12.47 C ATOM 454 CE1 PHE A 57 13.983 17.586 27.179 1.00 12.13 C ATOM 455 CE2 PHE A 57 12.560 18.530 28.886 1.00 13.43 C ATOM 456 CZ PHE A 57 13.511 18.692 27.881 1.00 14.18 C ATOM 457 N GLN A 58 10.045 12.062 27.648 1.00 6.66 N ATOM 458 CA GLN A 58 9.744 10.650 27.918 1.00 7.33 C ATOM 459 C GLN A 58 10.194 10.216 29.324 1.00 6.77 C ATOM 460 O GLN A 58 10.965 9.274 29.496 1.00 9.97 O ATOM 461 CB GLN A 58 10.341 9.767 26.814 1.00 5.49 C ATOM 462 CG GLN A 58 9.601 9.915 25.469 1.00 6.48 C ATOM 463 CD GLN A 58 8.182 9.354 25.509 1.00 6.93 C ATOM 464 OE1 GLN A 58 7.986 8.158 25.340 1.00 9.72 O ATOM 465 NE2 GLN A 58 7.194 10.214 25.751 1.00 7.30 N ATOM 466 N ILE A 59 9.681 10.927 30.319 1.00 5.90 N ATOM 467 CA ILE A 59 9.999 10.674 31.717 1.00 7.55 C ATOM 468 C ILE A 59 9.169 9.501 32.230 1.00 6.75 C ATOM 469 O ILE A 59 7.952 9.467 32.078 1.00 6.57 O ATOM 470 CB ILE A 59 9.797 11.957 32.549 1.00 8.62 C ATOM 471 CG1 ILE A 59 10.845 12.997 32.119 1.00 8.83 C ATOM 472 CG2 ILE A 59 9.932 11.653 34.040 1.00 8.10 C ATOM 473 CD1 ILE A 59 10.587 14.384 32.652 1.00 9.82 C ATOM 474 N ASN A 60 9.861 8.529 32.814 1.00 8.81 N ATOM 475 CA ASN A 60 9.267 7.278 33.290 1.00 8.79 C ATOM 476 C ASN A 60 8.478 7.331 34.608 1.00 8.09 C ATOM 477 O ASN A 60 8.926 7.929 35.597 1.00 8.94 O ATOM 478 CB ASN A 60 10.374 6.216 33.343 1.00 10.44 C ATOM 479 CG ASN A 60 9.835 4.818 33.554 1.00 9.83 C ATOM 480 OD1 ASN A 60 9.859 4.303 34.670 1.00 12.51 O ATOM 481 ND2 ASN A 60 9.337 4.201 32.485 1.00 12.18 N ATOM 482 N SER A 61 7.336 6.636 34.620 1.00 7.51 N ATOM 483 CA SER A 61 6.424 6.579 35.761 1.00 7.52 C ATOM 484 C SER A 61 6.848 5.688 36.925 1.00 9.02 C ATOM 485 O SER A 61 6.163 5.657 37.948 1.00 10.49 O ATOM 486 CB SER A 61 5.020 6.173 35.321 1.00 6.30 C ATOM 487 OG SER A 61 5.020 4.868 34.768 1.00 7.39 O ATOM 488 N ARG A 62 7.922 4.914 36.774 1.00 10.27 N ATOM 489 CA ARG A 62 8.356 4.093 37.897 1.00 12.84 C ATOM 490 C ARG A 62 9.184 4.935 38.861 1.00 14.31 C ATOM 491 O ARG A 62 8.993 4.895 40.078 1.00 15.77 O ATOM 492 CB ARG A 62 9.173 2.880 37.448 1.00 12.75 C ATOM 493 CG ARG A 62 9.828 2.160 38.638 1.00 15.59 C ATOM 494 CD ARG A 62 10.038 0.665 38.404 1.00 19.67 C ATOM 495 NE ARG A 62 8.749 -0.032 38.340 1.00 21.06 N ATOM 496 CZ ARG A 62 8.229 -0.558 37.231 1.00 21.86 C ATOM 497 NH1 ARG A 62 8.891 -0.496 36.080 1.00 21.58 N ATOM 498 NH2 ARG A 62 6.998 -1.046 37.251 1.00 20.24 N ATOM 499 N TYR A 63 10.058 5.766 38.312 1.00 14.69 N ATOM 500 CA TYR A 63 10.945 6.558 39.145 1.00 14.94 C ATOM 501 C TYR A 63 10.638 8.022 39.369 1.00 13.47 C ATOM 502 O TYR A 63 10.843 8.541 40.466 1.00 14.10 O ATOM 503 CB TYR A 63 12.360 6.472 38.568 1.00 18.80 C ATOM 504 CG TYR A 63 12.818 5.057 38.345 1.00 24.00 C ATOM 505 CD1 TYR A 63 13.159 4.246 39.426 1.00 26.99 C ATOM 506 CD2 TYR A 63 12.879 4.514 37.060 1.00 26.10 C ATOM 507 CE1 TYR A 63 13.536 2.920 39.237 1.00 31.18 C ATOM 508 CE2 TYR A 63 13.255 3.184 36.860 1.00 30.17 C ATOM 509 CZ TYR A 63 13.591 2.395 37.954 1.00 31.86 C ATOM 510 OH TYR A 63 13.966 1.072 37.784 1.00 35.81 O ATOM 511 N TRP A 64 10.100 8.679 38.349 1.00 11.84 N ATOM 512 CA TRP A 64 9.926 10.124 38.413 1.00 10.70 C ATOM 513 C TRP A 64 8.582 10.776 38.642 1.00 8.97 C ATOM 514 O TRP A 64 8.482 11.701 39.459 1.00 9.94 O ATOM 515 CB TRP A 64 10.617 10.732 37.192 1.00 10.07 C ATOM 516 CG TRP A 64 11.984 10.137 36.971 1.00 9.56 C ATOM 517 CD1 TRP A 64 12.338 9.242 36.011 1.00 9.68 C ATOM 518 CD2 TRP A 64 13.163 10.374 37.764 1.00 10.68 C ATOM 519 NE1 TRP A 64 13.670 8.896 36.152 1.00 11.50 N ATOM 520 CE2 TRP A 64 14.198 9.575 37.217 1.00 11.92 C ATOM 521 CE3 TRP A 64 13.448 11.177 38.876 1.00 11.73 C ATOM 522 CZ2 TRP A 64 15.497 9.563 37.753 1.00 12.82 C ATOM 523 CZ3 TRP A 64 14.739 11.163 39.406 1.00 12.10 C ATOM 524 CH2 TRP A 64 15.744 10.357 38.841 1.00 11.70 C ATOM 525 N CYS A 65 7.579 10.390 37.869 1.00 9.04 N ATOM 526 CA CYS A 65 6.261 10.982 38.063 1.00 8.62 C ATOM 527 C CYS A 65 5.301 9.883 38.468 1.00 8.18 C ATOM 528 O CYS A 65 5.566 8.703 38.223 1.00 8.18 O ATOM 529 CB CYS A 65 5.789 11.688 36.785 1.00 8.47 C ATOM 530 SG CYS A 65 5.492 10.570 35.379 1.00 8.88 S ATOM 531 N ASN A 66 4.183 10.259 39.074 1.00 8.20 N ATOM 532 CA ASN A 66 3.202 9.281 39.514 1.00 8.74 C ATOM 533 C ASN A 66 1.959 9.254 38.645 1.00 8.74 C ATOM 534 O ASN A 66 1.356 10.301 38.370 1.00 8.10 O ATOM 535 CB ASN A 66 2.790 9.558 40.962 1.00 9.88 C ATOM 536 CG ASN A 66 1.742 8.568 41.481 1.00 13.09 C ATOM 537 OD1 ASN A 66 1.866 7.359 41.310 1.00 12.96 O ATOM 538 ND2 ASN A 66 0.701 9.088 42.101 1.00 14.88 N ATOM 539 N ASP A 67 1.614 8.059 38.158 1.00 8.57 N ATOM 540 CA ASP A 67 0.391 7.878 37.375 1.00 8.97 C ATOM 541 C ASP A 67 -0.580 6.952 38.111 1.00 8.49 C ATOM 542 O ASP A 67 -1.667 6.671 37.638 1.00 10.20 O ATOM 543 CB ASP A 67 0.650 7.446 35.906 1.00 8.02 C ATOM 544 CG ASP A 67 1.246 6.027 35.752 1.00 8.55 C ATOM 545 OD1 ASP A 67 1.368 5.249 36.729 1.00 7.24 O ATOM 546 OD2 ASP A 67 1.597 5.682 34.599 1.00 8.47 O ATOM 547 N GLY A 68 -0.183 6.509 39.297 1.00 8.51 N ATOM 548 CA GLY A 68 -1.016 5.633 40.097 1.00 10.05 C ATOM 549 C GLY A 68 -1.165 4.195 39.629 1.00 11.70 C ATOM 550 O GLY A 68 -1.670 3.371 40.375 1.00 14.34 O ATOM 551 N LYS A 69 -0.731 3.867 38.417 1.00 12.16 N ATOM 552 CA LYS A 69 -0.885 2.496 37.940 1.00 12.62 C ATOM 553 C LYS A 69 0.421 1.756 37.679 1.00 13.38 C ATOM 554 O LYS A 69 0.414 0.688 37.063 1.00 14.77 O ATOM 555 CB LYS A 69 -1.765 2.463 36.685 1.00 14.32 C ATOM 556 CG LYS A 69 -1.209 3.187 35.488 1.00 16.99 C ATOM 557 CD LYS A 69 -2.208 3.146 34.357 1.00 21.35 C ATOM 558 CE LYS A 69 -1.632 3.759 33.112 1.00 24.59 C ATOM 559 NZ LYS A 69 -0.503 2.930 32.616 1.00 30.28 N ATOM 560 N THR A 70 1.530 2.289 38.176 1.00 12.23 N ATOM 561 CA THR A 70 2.834 1.666 37.970 1.00 12.79 C ATOM 562 C THR A 70 3.363 1.015 39.248 1.00 14.67 C ATOM 563 O THR A 70 3.523 1.678 40.284 1.00 13.92 O ATOM 564 CB THR A 70 3.867 2.704 37.478 1.00 11.48 C ATOM 565 OG1 THR A 70 3.347 3.368 36.322 1.00 9.48 O ATOM 566 CG2 THR A 70 5.178 2.027 37.110 1.00 10.05 C ATOM 567 N PRO A 71 3.592 -0.306 39.215 1.00 16.72 N ATOM 568 CA PRO A 71 4.104 -0.918 40.441 1.00 19.49 C ATOM 569 C PRO A 71 5.534 -0.439 40.732 1.00 20.56 C ATOM 570 O PRO A 71 6.288 -0.115 39.811 1.00 20.74 O ATOM 571 CB PRO A 71 4.024 -2.418 40.130 1.00 19.08 C ATOM 572 CG PRO A 71 4.154 -2.481 38.646 1.00 19.25 C ATOM 573 CD PRO A 71 3.300 -1.323 38.192 1.00 17.60 C ATOM 574 N GLY A 72 5.857 -0.296 42.017 1.00 21.57 N ATOM 575 CA GLY A 72 7.185 0.133 42.423 1.00 22.45 C ATOM 576 C GLY A 72 7.499 1.607 42.228 1.00 22.46 C ATOM 577 O GLY A 72 8.657 2.014 42.356 1.00 23.51 O ATOM 578 N ALA A 73 6.472 2.413 41.978 1.00 21.77 N ATOM 579 CA ALA A 73 6.649 3.841 41.759 1.00 21.21 C ATOM 580 C ALA A 73 7.276 4.554 42.945 1.00 19.98 C ATOM 581 O ALA A 73 6.906 4.317 44.095 1.00 21.29 O ATOM 582 CB ALA A 73 5.321 4.489 41.411 1.00 19.76 C ATOM 583 N VAL A 74 8.186 5.467 42.640 1.00 18.21 N ATOM 584 CA VAL A 74 8.885 6.264 43.636 1.00 18.86 C ATOM 585 C VAL A 74 8.452 7.744 43.633 1.00 17.17 C ATOM 586 O VAL A 74 8.537 8.421 44.651 1.00 19.90 O ATOM 587 CB VAL A 74 10.407 6.226 43.367 1.00 21.13 C ATOM 588 CG1 VAL A 74 11.148 6.929 44.482 1.00 25.66 C ATOM 589 CG2 VAL A 74 10.886 4.790 43.191 1.00 24.56 C ATOM 590 N ASN A 75 8.061 8.251 42.469 1.00 15.24 N ATOM 591 CA ASN A 75 7.635 9.651 42.294 1.00 13.82 C ATOM 592 C ASN A 75 8.657 10.673 42.807 1.00 12.72 C ATOM 593 O ASN A 75 8.327 11.584 43.582 1.00 10.97 O ATOM 594 CB ASN A 75 6.258 9.905 42.922 1.00 12.49 C ATOM 595 CG ASN A 75 5.636 11.229 42.456 1.00 15.64 C ATOM 596 OD1 ASN A 75 6.118 11.857 41.510 1.00 13.98 O ATOM 597 ND2 ASN A 75 4.555 11.648 43.113 1.00 15.48 N ATOM 598 N ALA A 76 9.887 10.557 42.309 1.00 12.64 N ATOM 599 CA ALA A 76 10.973 11.448 42.718 1.00 13.50 C ATOM 600 C ALA A 76 10.730 12.915 42.401 1.00 13.12 C ATOM 601 O ALA A 76 11.177 13.790 43.136 1.00 14.02 O ATOM 602 CB ALA A 76 12.309 10.976 42.131 1.00 12.21 C ATOM 603 N CYS A 77 10.001 13.196 41.329 1.00 11.56 N ATOM 604 CA CYS A 77 9.721 14.584 40.973 1.00 9.87 C ATOM 605 C CYS A 77 8.532 15.147 41.712 1.00 11.36 C ATOM 606 O CYS A 77 8.229 16.330 41.577 1.00 11.59 O ATOM 607 CB CYS A 77 9.464 14.709 39.475 1.00 9.93 C ATOM 608 SG CYS A 77 10.947 14.417 38.486 1.00 11.26 S ATOM 609 N HIS A 78 7.838 14.296 42.459 1.00 13.41 N ATOM 610 CA HIS A 78 6.655 14.708 43.216 1.00 14.70 C ATOM 611 C HIS A 78 5.694 15.453 42.311 1.00 14.33 C ATOM 612 O HIS A 78 5.210 16.546 42.617 1.00 16.04 O ATOM 613 CB HIS A 78 7.071 15.521 44.445 1.00 18.60 C ATOM 614 CG HIS A 78 7.884 14.717 45.415 1.00 23.46 C ATOM 615 ND1 HIS A 78 9.261 14.740 45.439 1.00 26.41 N ATOM 616 CD2 HIS A 78 7.505 13.768 46.303 1.00 25.46 C ATOM 617 CE1 HIS A 78 9.702 13.848 46.289 1.00 26.90 C ATOM 618 NE2 HIS A 78 8.663 13.230 46.835 1.00 27.61 N ATOM 619 N LEU A 79 5.380 14.795 41.206 1.00 12.44 N ATOM 620 CA LEU A 79 4.506 15.356 40.202 1.00 11.28 C ATOM 621 C LEU A 79 3.622 14.279 39.641 1.00 8.12 C ATOM 622 O LEU A 79 4.028 13.128 39.533 1.00 8.65 O ATOM 623 CB LEU A 79 5.337 15.883 39.018 1.00 14.96 C ATOM 624 CG LEU A 79 5.811 17.332 38.846 1.00 19.13 C ATOM 625 CD1 LEU A 79 6.589 17.459 37.520 1.00 20.11 C ATOM 626 CD2 LEU A 79 4.618 18.275 38.839 1.00 20.56 C ATOM 627 N SER A 80 2.423 14.672 39.250 1.00 7.85 N ATOM 628 CA SER A 80 1.505 13.762 38.595 1.00 9.06 C ATOM 629 C SER A 80 2.059 13.634 37.168 1.00 8.83 C ATOM 630 O SER A 80 2.525 14.631 36.601 1.00 8.37 O ATOM 631 CB SER A 80 0.113 14.407 38.521 1.00 8.65 C ATOM 632 OG SER A 80 -0.717 13.699 37.584 1.00 8.79 O ATOM 633 N CYS A 81 2.005 12.443 36.575 1.00 9.03 N ATOM 634 CA CYS A 81 2.495 12.287 35.200 1.00 8.86 C ATOM 635 C CYS A 81 1.695 13.147 34.229 1.00 6.93 C ATOM 636 O CYS A 81 2.191 13.513 33.172 1.00 7.96 O ATOM 637 CB CYS A 81 2.480 10.832 34.755 1.00 8.92 C ATOM 638 SG CYS A 81 3.635 9.797 35.712 1.00 8.50 S ATOM 639 N SER A 82 0.472 13.499 34.629 1.00 7.38 N ATOM 640 CA SER A 82 -0.410 14.350 33.836 1.00 8.55 C ATOM 641 C SER A 82 0.266 15.693 33.528 1.00 6.70 C ATOM 642 O SER A 82 0.079 16.256 32.437 1.00 7.94 O ATOM 643 CB SER A 82 -1.722 14.589 34.603 1.00 10.00 C ATOM 644 OG SER A 82 -2.534 15.586 33.997 1.00 21.02 O ATOM 645 N ALA A 83 1.060 16.195 34.478 1.00 6.39 N ATOM 646 CA ALA A 83 1.756 17.479 34.318 1.00 5.66 C ATOM 647 C ALA A 83 2.751 17.430 33.171 1.00 7.46 C ATOM 648 O ALA A 83 3.131 18.472 32.633 1.00 6.68 O ATOM 649 CB ALA A 83 2.472 17.867 35.613 1.00 7.60 C ATOM 650 N LEU A 84 3.166 16.219 32.800 1.00 7.67 N ATOM 651 CA LEU A 84 4.113 16.025 31.706 1.00 8.86 C ATOM 652 C LEU A 84 3.460 15.920 30.315 1.00 8.82 C ATOM 653 O LEU A 84 4.143 15.634 29.324 1.00 9.18 O ATOM 654 CB LEU A 84 5.004 14.804 31.977 1.00 10.75 C ATOM 655 CG LEU A 84 5.745 14.801 33.318 1.00 12.64 C ATOM 656 CD1 LEU A 84 6.661 13.603 33.376 1.00 13.18 C ATOM 657 CD2 LEU A 84 6.547 16.072 33.503 1.00 13.95 C ATOM 658 N LEU A 85 2.145 16.131 30.242 1.00 7.85 N ATOM 659 CA LEU A 85 1.428 16.079 28.970 1.00 8.02 C ATOM 660 C LEU A 85 0.875 17.452 28.583 1.00 7.75 C ATOM 661 O LEU A 85 0.138 17.583 27.610 1.00 8.79 O ATOM 662 CB LEU A 85 0.320 15.011 29.017 1.00 7.76 C ATOM 663 CG LEU A 85 0.802 13.571 29.251 1.00 9.41 C ATOM 664 CD1 LEU A 85 -0.374 12.635 29.463 1.00 8.88 C ATOM 665 CD2 LEU A 85 1.692 13.099 28.083 1.00 10.14 C ATOM 666 N GLN A 86 1.273 18.481 29.326 1.00 8.81 N ATOM 667 CA GLN A 86 0.838 19.853 29.056 1.00 8.78 C ATOM 668 C GLN A 86 1.623 20.466 27.894 1.00 9.32 C ATOM 669 O GLN A 86 2.714 20.004 27.548 1.00 8.10 O ATOM 670 CB GLN A 86 1.073 20.739 30.280 1.00 9.48 C ATOM 671 CG GLN A 86 0.343 20.327 31.549 1.00 13.36 C ATOM 672 CD GLN A 86 0.689 21.252 32.710 1.00 18.28 C ATOM 673 OE1 GLN A 86 0.011 22.259 32.940 1.00 21.87 O ATOM 674 NE2 GLN A 86 1.773 20.944 33.421 1.00 16.19 N ATOM 675 N ASP A 87 1.067 21.523 27.306 1.00 9.72 N ATOM 676 CA ASP A 87 1.714 22.245 26.212 1.00 10.33 C ATOM 677 C ASP A 87 2.833 23.070 26.842 1.00 10.32 C ATOM 678 O ASP A 87 3.822 23.382 26.190 1.00 12.47 O ATOM 679 CB ASP A 87 0.734 23.196 25.493 1.00 10.32 C ATOM 680 CG ASP A 87 -0.190 22.479 24.489 1.00 12.32 C ATOM 681 OD1 ASP A 87 -0.110 21.234 24.330 1.00 11.56 O ATOM 682 OD2 ASP A 87 -1.006 23.173 23.849 1.00 13.34 O ATOM 683 N ASN A 88 2.610 23.507 28.079 1.00 10.21 N ATOM 684 CA ASN A 88 3.605 24.275 28.821 1.00 11.73 C ATOM 685 C ASN A 88 4.584 23.259 29.427 1.00 11.29 C ATOM 686 O ASN A 88 4.192 22.432 30.253 1.00 12.20 O ATOM 687 CB ASN A 88 2.916 25.076 29.917 1.00 15.11 C ATOM 688 CG ASN A 88 3.890 25.926 30.706 1.00 20.95 C ATOM 689 OD1 ASN A 88 4.772 25.406 31.386 1.00 21.58 O ATOM 690 ND2 ASN A 88 3.757 27.241 30.592 1.00 24.08 N ATOM 691 N ILE A 89 5.853 23.324 29.026 1.00 9.46 N ATOM 692 CA ILE A 89 6.840 22.359 29.493 1.00 8.57 C ATOM 693 C ILE A 89 7.608 22.719 30.767 1.00 8.10 C ATOM 694 O ILE A 89 8.575 22.044 31.119 1.00 7.27 O ATOM 695 CB ILE A 89 7.852 22.001 28.354 1.00 8.96 C ATOM 696 CG1 ILE A 89 8.712 23.224 27.985 1.00 9.25 C ATOM 697 CG2 ILE A 89 7.100 21.470 27.130 1.00 7.39 C ATOM 698 CD1 ILE A 89 9.918 22.905 27.072 1.00 8.17 C ATOM 699 N ALA A 90 7.169 23.742 31.490 1.00 7.22 N ATOM 700 CA ALA A 90 7.869 24.128 32.709 1.00 6.49 C ATOM 701 C ALA A 90 8.017 22.954 33.689 1.00 7.31 C ATOM 702 O ALA A 90 9.099 22.749 34.268 1.00 6.54 O ATOM 703 CB ALA A 90 7.166 25.304 33.383 1.00 8.59 C ATOM 704 N ASP A 91 6.950 22.187 33.893 1.00 7.17 N ATOM 705 CA ASP A 91 7.017 21.042 34.803 1.00 7.96 C ATOM 706 C ASP A 91 7.921 19.930 34.297 1.00 7.63 C ATOM 707 O ASP A 91 8.652 19.312 35.084 1.00 6.47 O ATOM 708 CB ASP A 91 5.627 20.489 35.087 1.00 10.52 C ATOM 709 CG ASP A 91 4.815 21.408 35.960 1.00 17.38 C ATOM 710 OD1 ASP A 91 5.405 22.021 36.876 1.00 17.20 O ATOM 711 OD2 ASP A 91 3.595 21.532 35.720 1.00 22.31 O ATOM 712 N ALA A 92 7.869 19.668 32.993 1.00 7.61 N ATOM 713 CA ALA A 92 8.713 18.636 32.403 1.00 7.24 C ATOM 714 C ALA A 92 10.181 19.018 32.604 1.00 8.06 C ATOM 715 O ALA A 92 11.021 18.167 32.901 1.00 7.76 O ATOM 716 CB ALA A 92 8.404 18.464 30.927 1.00 7.13 C ATOM 717 N VAL A 93 10.473 20.311 32.470 1.00 7.15 N ATOM 718 CA VAL A 93 11.832 20.818 32.630 1.00 6.13 C ATOM 719 C VAL A 93 12.296 20.687 34.071 1.00 6.76 C ATOM 720 O VAL A 93 13.427 20.278 34.325 1.00 7.69 O ATOM 721 CB VAL A 93 11.933 22.286 32.150 1.00 6.15 C ATOM 722 CG1 VAL A 93 13.200 22.941 32.680 1.00 5.62 C ATOM 723 CG2 VAL A 93 11.915 22.312 30.621 1.00 7.86 C ATOM 724 N ALA A 94 11.419 21.009 35.014 1.00 6.16 N ATOM 725 CA ALA A 94 11.760 20.888 36.425 1.00 7.29 C ATOM 726 C ALA A 94 12.082 19.420 36.756 1.00 7.05 C ATOM 727 O ALA A 94 13.030 19.117 37.480 1.00 8.95 O ATOM 728 CB ALA A 94 10.599 21.382 37.279 1.00 7.50 C ATOM 729 N CYS A 95 11.294 18.509 36.211 1.00 6.78 N ATOM 730 CA CYS A 95 11.510 17.108 36.488 1.00 6.82 C ATOM 731 C CYS A 95 12.753 16.587 35.769 1.00 7.20 C ATOM 732 O CYS A 95 13.517 15.794 36.334 1.00 6.86 O ATOM 733 CB CYS A 95 10.259 16.305 36.146 1.00 8.27 C ATOM 734 SG CYS A 95 10.307 14.529 36.556 1.00 8.24 S ATOM 735 N ALA A 96 13.005 17.057 34.548 1.00 7.32 N ATOM 736 CA ALA A 96 14.202 16.630 33.812 1.00 7.66 C ATOM 737 C ALA A 96 15.466 17.110 34.576 1.00 7.80 C ATOM 738 O ALA A 96 16.490 16.420 34.593 1.00 7.76 O ATOM 739 CB ALA A 96 14.188 17.183 32.383 1.00 7.75 C ATOM 740 N LYS A 97 15.392 18.281 35.210 1.00 6.78 N ATOM 741 CA LYS A 97 16.539 18.772 35.983 1.00 6.74 C ATOM 742 C LYS A 97 16.770 17.842 37.189 1.00 7.95 C ATOM 743 O LYS A 97 17.913 17.553 37.553 1.00 8.00 O ATOM 744 CB LYS A 97 16.313 20.209 36.443 1.00 5.62 C ATOM 745 CG LYS A 97 16.413 21.234 35.331 1.00 7.04 C ATOM 746 CD LYS A 97 16.111 22.624 35.863 1.00 8.11 C ATOM 747 CE LYS A 97 16.177 23.677 34.771 1.00 9.49 C ATOM 748 NZ LYS A 97 15.768 24.998 35.294 1.00 9.55 N ATOM 749 N ARG A 98 15.686 17.351 37.784 1.00 7.97 N ATOM 750 CA ARG A 98 15.793 16.421 38.912 1.00 7.76 C ATOM 751 C ARG A 98 16.470 15.112 38.461 1.00 7.93 C ATOM 752 O ARG A 98 17.367 14.607 39.140 1.00 8.60 O ATOM 753 CB ARG A 98 14.399 16.124 39.494 1.00 5.45 C ATOM 754 CG ARG A 98 14.374 14.984 40.480 1.00 7.10 C ATOM 755 CD ARG A 98 15.264 15.260 41.687 1.00 11.70 C ATOM 756 NE ARG A 98 15.277 14.148 42.643 1.00 12.36 N ATOM 757 CZ ARG A 98 16.104 13.106 42.580 1.00 14.16 C ATOM 758 NH1 ARG A 98 17.001 13.016 41.602 1.00 12.95 N ATOM 759 NH2 ARG A 98 16.037 12.150 43.497 1.00 14.26 N ATOM 760 N VAL A 99 16.047 14.575 37.314 1.00 8.54 N ATOM 761 CA VAL A 99 16.616 13.344 36.778 1.00 7.57 C ATOM 762 C VAL A 99 18.129 13.456 36.664 1.00 10.16 C ATOM 763 O VAL A 99 18.844 12.565 37.129 1.00 9.42 O ATOM 764 CB VAL A 99 16.056 12.998 35.367 1.00 7.84 C ATOM 765 CG1 VAL A 99 16.757 11.773 34.813 1.00 6.19 C ATOM 766 CG2 VAL A 99 14.548 12.770 35.428 1.00 4.39 C ATOM 767 N VAL A 100 18.619 14.563 36.096 1.00 9.17 N ATOM 768 CA VAL A 100 20.059 14.744 35.913 1.00 10.60 C ATOM 769 C VAL A 100 20.871 15.137 37.140 1.00 11.48 C ATOM 770 O VAL A 100 22.085 15.283 37.055 1.00 11.64 O ATOM 771 CB VAL A 100 20.418 15.644 34.703 1.00 8.63 C ATOM 772 CG1 VAL A 100 19.812 15.065 33.443 1.00 10.51 C ATOM 773 CG2 VAL A 100 19.986 17.107 34.931 1.00 8.57 C ATOM 774 N ARG A 101 20.206 15.344 38.272 1.00 12.35 N ATOM 775 CA ARG A 101 20.939 15.644 39.485 1.00 15.21 C ATOM 776 C ARG A 101 21.461 14.326 40.089 1.00 16.01 C ATOM 777 O ARG A 101 22.301 14.338 40.988 1.00 17.70 O ATOM 778 CB ARG A 101 20.090 16.452 40.463 1.00 15.46 C ATOM 779 CG ARG A 101 19.940 17.900 40.018 1.00 16.17 C ATOM 780 CD ARG A 101 19.560 18.818 41.170 1.00 13.75 C ATOM 781 NE ARG A 101 18.242 18.514 41.741 1.00 15.84 N ATOM 782 CZ ARG A 101 17.088 18.992 41.281 1.00 14.68 C ATOM 783 NH1 ARG A 101 17.054 19.794 40.220 1.00 12.50 N ATOM 784 NH2 ARG A 101 15.963 18.698 41.915 1.00 15.82 N ATOM 785 N ASP A 102 20.948 13.197 39.604 1.00 14.46 N ATOM 786 CA ASP A 102 21.431 11.888 40.036 1.00 14.97 C ATOM 787 C ASP A 102 22.774 11.777 39.318 1.00 15.38 C ATOM 788 O ASP A 102 22.959 12.396 38.272 1.00 13.99 O ATOM 789 CB ASP A 102 20.513 10.771 39.537 1.00 17.20 C ATOM 790 CG ASP A 102 19.366 10.482 40.486 1.00 21.00 C ATOM 791 OD1 ASP A 102 19.150 11.255 41.446 1.00 19.85 O ATOM 792 OD2 ASP A 102 18.679 9.464 40.267 1.00 23.71 O ATOM 793 N PRO A 103 23.688 10.921 39.807 1.00 16.35 N ATOM 794 CA PRO A 103 25.009 10.768 39.176 1.00 16.13 C ATOM 795 C PRO A 103 25.088 10.412 37.688 1.00 15.64 C ATOM 796 O PRO A 103 25.974 10.900 36.991 1.00 15.45 O ATOM 797 CB PRO A 103 25.695 9.725 40.057 1.00 16.96 C ATOM 798 CG PRO A 103 24.562 8.952 40.656 1.00 19.06 C ATOM 799 CD PRO A 103 23.551 10.019 40.967 1.00 16.98 C ATOM 800 N GLN A 104 24.158 9.590 37.202 1.00 14.87 N ATOM 801 CA GLN A 104 24.150 9.170 35.799 1.00 16.17 C ATOM 802 C GLN A 104 23.909 10.342 34.844 1.00 14.32 C ATOM 803 O GLN A 104 24.286 10.299 33.665 1.00 13.31 O ATOM 804 CB GLN A 104 23.084 8.090 35.583 1.00 20.63 C ATOM 805 CG GLN A 104 23.362 7.133 34.433 1.00 28.50 C ATOM 806 CD GLN A 104 22.280 6.064 34.259 1.00 31.72 C ATOM 807 OE1 GLN A 104 21.358 5.948 35.071 1.00 35.87 O ATOM 808 NE2 GLN A 104 22.395 5.278 33.194 1.00 33.48 N ATOM 809 N GLY A 105 23.281 11.396 35.345 1.00 11.87 N ATOM 810 CA GLY A 105 23.019 12.538 34.494 1.00 12.51 C ATOM 811 C GLY A 105 22.138 12.209 33.300 1.00 10.76 C ATOM 812 O GLY A 105 21.175 11.441 33.400 1.00 10.72 O ATOM 813 N ILE A 106 22.500 12.758 32.147 1.00 11.91 N ATOM 814 CA ILE A 106 21.726 12.550 30.935 1.00 12.06 C ATOM 815 C ILE A 106 21.774 11.108 30.412 1.00 12.43 C ATOM 816 O ILE A 106 20.935 10.715 29.599 1.00 11.07 O ATOM 817 CB ILE A 106 22.119 13.582 29.840 1.00 14.04 C ATOM 818 CG1 ILE A 106 21.077 13.597 28.726 1.00 12.96 C ATOM 819 CG2 ILE A 106 23.537 13.317 29.320 1.00 13.15 C ATOM 820 CD1 ILE A 106 20.907 14.939 28.079 1.00 15.30 C ATOM 821 N ARG A 107 22.715 10.310 30.915 1.00 12.43 N ATOM 822 CA ARG A 107 22.829 8.912 30.512 1.00 13.90 C ATOM 823 C ARG A 107 21.628 8.090 30.975 1.00 13.72 C ATOM 824 O ARG A 107 21.458 6.943 30.558 1.00 14.86 O ATOM 825 CB ARG A 107 24.128 8.292 31.039 1.00 15.37 C ATOM 826 CG ARG A 107 25.334 8.774 30.272 1.00 19.40 C ATOM 827 CD ARG A 107 26.660 8.239 30.790 1.00 24.01 C ATOM 828 NE ARG A 107 27.746 8.961 30.129 1.00 28.72 N ATOM 829 CZ ARG A 107 28.964 8.479 29.904 1.00 32.73 C ATOM 830 NH1 ARG A 107 29.295 7.249 30.292 1.00 34.94 N ATOM 831 NH2 ARG A 107 29.828 9.206 29.204 1.00 34.37 N ATOM 832 N ALA A 108 20.803 8.676 31.839 1.00 13.13 N ATOM 833 CA ALA A 108 19.604 8.014 32.342 1.00 14.11 C ATOM 834 C ALA A 108 18.672 7.627 31.188 1.00 14.51 C ATOM 835 O ALA A 108 17.923 6.653 31.273 1.00 15.66 O ATOM 836 CB ALA A 108 18.898 8.931 33.317 1.00 13.68 C ATOM 837 N TRP A 109 18.744 8.386 30.096 1.00 13.60 N ATOM 838 CA TRP A 109 17.921 8.133 28.916 1.00 13.24 C ATOM 839 C TRP A 109 18.660 7.320 27.848 1.00 13.05 C ATOM 840 O TRP A 109 19.669 7.768 27.291 1.00 10.66 O ATOM 841 CB TRP A 109 17.463 9.462 28.291 1.00 11.19 C ATOM 842 CG TRP A 109 16.392 10.197 29.047 1.00 9.44 C ATOM 843 CD1 TRP A 109 15.045 9.991 28.965 1.00 9.56 C ATOM 844 CD2 TRP A 109 16.574 11.307 29.930 1.00 9.78 C ATOM 845 NE1 TRP A 109 14.377 10.909 29.730 1.00 11.00 N ATOM 846 CE2 TRP A 109 15.283 11.730 30.335 1.00 10.35 C ATOM 847 CE3 TRP A 109 17.696 11.995 30.410 1.00 8.44 C ATOM 848 CZ2 TRP A 109 15.095 12.812 31.202 1.00 10.45 C ATOM 849 CZ3 TRP A 109 17.509 13.068 31.267 1.00 9.37 C ATOM 850 CH2 TRP A 109 16.212 13.468 31.656 1.00 10.63 C ATOM 851 N VAL A 110 18.119 6.149 27.528 1.00 13.60 N ATOM 852 CA VAL A 110 18.705 5.284 26.509 1.00 15.17 C ATOM 853 C VAL A 110 18.738 5.965 25.138 1.00 12.18 C ATOM 854 O VAL A 110 19.700 5.817 24.375 1.00 11.62 O ATOM 855 CB VAL A 110 17.935 3.953 26.405 1.00 18.06 C ATOM 856 CG1 VAL A 110 18.488 3.101 25.274 1.00 20.90 C ATOM 857 CG2 VAL A 110 18.047 3.198 27.719 1.00 21.95 C ATOM 858 N ALA A 111 17.698 6.738 24.848 1.00 12.00 N ATOM 859 CA ALA A 111 17.597 7.463 23.583 1.00 12.16 C ATOM 860 C ALA A 111 18.819 8.364 23.397 1.00 11.06 C ATOM 861 O ALA A 111 19.350 8.469 22.290 1.00 10.34 O ATOM 862 CB ALA A 111 16.327 8.301 23.549 1.00 12.17 C ATOM 863 N TRP A 112 19.274 8.993 24.482 1.00 9.43 N ATOM 864 CA TRP A 112 20.446 9.861 24.410 1.00 9.30 C ATOM 865 C TRP A 112 21.702 9.032 24.141 1.00 8.52 C ATOM 866 O TRP A 112 22.524 9.391 23.305 1.00 7.58 O ATOM 867 CB TRP A 112 20.616 10.689 25.691 1.00 8.28 C ATOM 868 CG TRP A 112 21.751 11.678 25.585 1.00 10.03 C ATOM 869 CD1 TRP A 112 21.705 12.926 25.023 1.00 6.90 C ATOM 870 CD2 TRP A 112 23.106 11.482 26.014 1.00 8.10 C ATOM 871 NE1 TRP A 112 22.947 13.513 25.068 1.00 7.58 N ATOM 872 CE2 TRP A 112 23.823 12.658 25.672 1.00 7.76 C ATOM 873 CE3 TRP A 112 23.781 10.431 26.657 1.00 10.84 C ATOM 874 CZ2 TRP A 112 25.190 12.806 25.957 1.00 9.03 C ATOM 875 CZ3 TRP A 112 25.149 10.586 26.941 1.00 9.21 C ATOM 876 CH2 TRP A 112 25.831 11.764 26.590 1.00 10.71 C ATOM 877 N ARG A 113 21.841 7.914 24.841 1.00 10.63 N ATOM 878 CA ARG A 113 22.997 7.059 24.634 1.00 13.09 C ATOM 879 C ARG A 113 23.056 6.534 23.210 1.00 12.64 C ATOM 880 O ARG A 113 24.101 6.608 22.570 1.00 13.54 O ATOM 881 CB ARG A 113 23.010 5.916 25.648 1.00 14.74 C ATOM 882 CG ARG A 113 23.441 6.384 27.029 1.00 20.47 C ATOM 883 CD ARG A 113 23.606 5.255 28.019 1.00 27.05 C ATOM 884 NE ARG A 113 22.323 4.729 28.487 1.00 33.01 N ATOM 885 CZ ARG A 113 22.152 4.154 29.674 1.00 37.10 C ATOM 886 NH1 ARG A 113 23.178 4.034 30.516 1.00 37.77 N ATOM 887 NH2 ARG A 113 20.959 3.691 30.020 1.00 39.85 N ATOM 888 N ASN A 114 21.906 6.124 22.680 1.00 13.64 N ATOM 889 CA ASN A 114 21.822 5.573 21.325 1.00 15.14 C ATOM 890 C ASN A 114 21.993 6.565 20.192 1.00 15.26 C ATOM 891 O ASN A 114 22.684 6.276 19.217 1.00 15.26 O ATOM 892 CB ASN A 114 20.481 4.858 21.094 1.00 16.24 C ATOM 893 CG ASN A 114 20.224 3.725 22.080 1.00 19.43 C ATOM 894 OD1 ASN A 114 21.117 3.290 22.812 1.00 19.24 O ATOM 895 ND2 ASN A 114 18.977 3.263 22.124 1.00 19.84 N ATOM 896 N ARG A 115 21.364 7.733 20.317 1.00 14.22 N ATOM 897 CA ARG A 115 21.387 8.726 19.242 1.00 13.96 C ATOM 898 C ARG A 115 22.241 9.961 19.423 1.00 13.15 C ATOM 899 O ARG A 115 22.489 10.669 18.448 1.00 14.72 O ATOM 900 CB ARG A 115 19.968 9.249 18.967 1.00 14.67 C ATOM 901 CG ARG A 115 18.820 8.239 18.996 1.00 21.92 C ATOM 902 CD ARG A 115 18.883 7.220 17.878 1.00 26.98 C ATOM 903 NE ARG A 115 18.993 7.825 16.556 1.00 31.88 N ATOM 904 CZ ARG A 115 18.325 7.397 15.488 1.00 33.20 C ATOM 905 NH1 ARG A 115 17.484 6.374 15.593 1.00 30.95 N ATOM 906 NH2 ARG A 115 18.499 8.003 14.316 1.00 32.92 N ATOM 907 N CYS A 116 22.689 10.240 20.639 1.00 11.21 N ATOM 908 CA CYS A 116 23.416 11.479 20.874 1.00 10.09 C ATOM 909 C CYS A 116 24.825 11.385 21.407 1.00 10.39 C ATOM 910 O CYS A 116 25.660 12.226 21.075 1.00 10.84 O ATOM 911 CB CYS A 116 22.618 12.377 21.830 1.00 7.65 C ATOM 912 SG CYS A 116 20.848 12.534 21.422 1.00 9.77 S ATOM 913 N GLN A 117 25.055 10.437 22.312 1.00 11.04 N ATOM 914 CA GLN A 117 26.367 10.273 22.920 1.00 12.61 C ATOM 915 C GLN A 117 27.473 10.032 21.893 1.00 14.50 C ATOM 916 O GLN A 117 27.323 9.202 21.002 1.00 14.85 O ATOM 917 CB GLN A 117 26.334 9.138 23.946 1.00 12.96 C ATOM 918 CG GLN A 117 27.681 8.944 24.637 1.00 16.72 C ATOM 919 CD GLN A 117 27.642 7.955 25.760 1.00 18.80 C ATOM 920 OE1 GLN A 117 26.714 7.170 25.878 1.00 22.80 O ATOM 921 NE2 GLN A 117 28.660 7.983 26.600 1.00 23.65 N ATOM 922 N ASN A 118 28.566 10.782 22.019 1.00 15.76 N ATOM 923 CA ASN A 118 29.735 10.680 21.134 1.00 19.09 C ATOM 924 C ASN A 118 29.480 11.052 19.676 1.00 19.40 C ATOM 925 O ASN A 118 30.201 10.615 18.778 1.00 22.38 O ATOM 926 CB ASN A 118 30.376 9.286 21.211 1.00 24.04 C ATOM 927 CG ASN A 118 30.817 8.924 22.616 1.00 29.38 C ATOM 928 OD1 ASN A 118 30.496 7.840 23.124 1.00 34.14 O ATOM 929 ND2 ASN A 118 31.537 9.835 23.266 1.00 32.44 N ATOM 930 N ARG A 119 28.469 11.879 19.441 1.00 17.03 N ATOM 931 CA ARG A 119 28.155 12.320 18.093 1.00 18.44 C ATOM 932 C ARG A 119 28.189 13.836 18.075 1.00 18.56 C ATOM 933 O ARG A 119 28.236 14.487 19.112 1.00 17.96 O ATOM 934 CB ARG A 119 26.755 11.878 17.665 1.00 18.28 C ATOM 935 CG ARG A 119 26.526 10.397 17.678 1.00 20.88 C ATOM 936 CD ARG A 119 25.171 10.127 17.120 1.00 22.67 C ATOM 937 NE ARG A 119 24.743 8.757 17.357 1.00 26.38 N ATOM 938 CZ ARG A 119 24.350 7.921 16.403 1.00 24.84 C ATOM 939 NH1 ARG A 119 24.366 8.299 15.131 1.00 26.56 N ATOM 940 NH2 ARG A 119 23.964 6.696 16.719 1.00 27.75 N ATOM 941 N ASP A 120 28.151 14.395 16.880 1.00 20.09 N ATOM 942 CA ASP A 120 28.144 15.827 16.706 1.00 20.07 C ATOM 943 C ASP A 120 26.668 16.231 16.848 1.00 19.39 C ATOM 944 O ASP A 120 25.850 15.850 16.011 1.00 21.51 O ATOM 945 CB ASP A 120 28.663 16.150 15.300 1.00 21.79 C ATOM 946 CG ASP A 120 28.807 17.639 15.048 1.00 25.05 C ATOM 947 OD1 ASP A 120 28.805 18.425 16.023 1.00 27.96 O ATOM 948 OD2 ASP A 120 28.930 18.022 13.869 1.00 28.69 O ATOM 949 N VAL A 121 26.321 16.970 17.902 1.00 17.14 N ATOM 950 CA VAL A 121 24.928 17.395 18.098 1.00 15.60 C ATOM 951 C VAL A 121 24.681 18.886 17.876 1.00 16.94 C ATOM 952 O VAL A 121 23.590 19.392 18.147 1.00 14.15 O ATOM 953 CB VAL A 121 24.364 17.009 19.504 1.00 14.27 C ATOM 954 CG1 VAL A 121 24.259 15.492 19.642 1.00 15.03 C ATOM 955 CG2 VAL A 121 25.211 17.601 20.621 1.00 14.25 C ATOM 956 N ARG A 122 25.684 19.586 17.349 1.00 19.72 N ATOM 957 CA ARG A 122 25.578 21.022 17.102 1.00 21.35 C ATOM 958 C ARG A 122 24.441 21.369 16.132 1.00 20.64 C ATOM 959 O ARG A 122 23.822 22.432 16.235 1.00 20.91 O ATOM 960 CB ARG A 122 26.908 21.566 16.580 1.00 25.91 C ATOM 961 CG ARG A 122 27.997 21.817 17.652 1.00 32.43 C ATOM 962 CD ARG A 122 28.168 20.695 18.698 1.00 38.14 C ATOM 963 NE ARG A 122 27.516 21.041 19.969 1.00 41.66 N ATOM 964 CZ ARG A 122 27.576 20.320 21.090 1.00 40.88 C ATOM 965 NH1 ARG A 122 28.246 19.167 21.119 1.00 41.33 N ATOM 966 NH2 ARG A 122 26.938 20.743 22.178 1.00 35.13 N ATOM 967 N GLN A 123 24.135 20.447 15.227 1.00 18.56 N ATOM 968 CA GLN A 123 23.084 20.649 14.239 1.00 18.52 C ATOM 969 C GLN A 123 21.746 21.009 14.862 1.00 17.79 C ATOM 970 O GLN A 123 21.007 21.838 14.339 1.00 17.63 O ATOM 971 CB GLN A 123 22.884 19.383 13.420 1.00 21.57 C ATOM 972 CG GLN A 123 22.506 18.180 14.275 1.00 28.33 C ATOM 973 CD GLN A 123 21.710 17.153 13.514 1.00 32.93 C ATOM 974 OE1 GLN A 123 20.553 17.391 13.158 1.00 37.71 O ATOM 975 NE2 GLN A 123 22.308 15.992 13.280 1.00 34.24 N ATOM 976 N TYR A 124 21.456 20.399 16.000 1.00 15.37 N ATOM 977 CA TYR A 124 20.192 20.618 16.667 1.00 14.45 C ATOM 978 C TYR A 124 19.898 22.052 17.087 1.00 13.42 C ATOM 979 O TYR A 124 18.735 22.421 17.185 1.00 14.79 O ATOM 980 CB TYR A 124 20.058 19.652 17.846 1.00 14.26 C ATOM 981 CG TYR A 124 20.098 18.194 17.415 1.00 13.27 C ATOM 982 CD1 TYR A 124 18.987 17.588 16.830 1.00 14.66 C ATOM 983 CD2 TYR A 124 21.258 17.440 17.547 1.00 12.75 C ATOM 984 CE1 TYR A 124 19.037 16.268 16.388 1.00 14.37 C ATOM 985 CE2 TYR A 124 21.318 16.120 17.110 1.00 11.52 C ATOM 986 CZ TYR A 124 20.208 15.548 16.528 1.00 13.17 C ATOM 987 OH TYR A 124 20.269 14.257 16.056 1.00 15.83 O ATOM 988 N VAL A 125 20.928 22.863 17.318 1.00 12.91 N ATOM 989 CA VAL A 125 20.718 24.257 17.728 1.00 12.48 C ATOM 990 C VAL A 125 21.152 25.304 16.703 1.00 14.01 C ATOM 991 O VAL A 125 21.027 26.504 16.952 1.00 12.49 O ATOM 992 CB VAL A 125 21.417 24.579 19.067 1.00 11.64 C ATOM 993 CG1 VAL A 125 20.797 23.765 20.195 1.00 12.19 C ATOM 994 CG2 VAL A 125 22.913 24.320 18.970 1.00 13.06 C ATOM 995 N GLN A 126 21.652 24.862 15.560 1.00 13.58 N ATOM 996 CA GLN A 126 22.116 25.813 14.560 1.00 18.44 C ATOM 997 C GLN A 126 21.031 26.700 13.993 1.00 15.36 C ATOM 998 O GLN A 126 19.953 26.236 13.641 1.00 17.45 O ATOM 999 CB GLN A 126 22.849 25.106 13.425 1.00 23.19 C ATOM 1000 CG GLN A 126 24.145 24.408 13.860 1.00 34.21 C ATOM 1001 CD GLN A 126 25.107 25.321 14.617 1.00 38.78 C ATOM 1002 OE1 GLN A 126 25.745 26.205 14.027 1.00 42.62 O ATOM 1003 NE2 GLN A 126 25.217 25.109 15.928 1.00 37.97 N ATOM 1004 N GLY A 127 21.321 27.993 13.940 1.00 13.93 N ATOM 1005 CA GLY A 127 20.371 28.942 13.399 1.00 12.83 C ATOM 1006 C GLY A 127 19.212 29.330 14.296 1.00 13.89 C ATOM 1007 O GLY A 127 18.367 30.127 13.883 1.00 14.24 O ATOM 1008 N CYS A 128 19.182 28.835 15.528 1.00 12.98 N ATOM 1009 CA CYS A 128 18.090 29.159 16.451 1.00 13.53 C ATOM 1010 C CYS A 128 18.288 30.429 17.267 1.00 13.58 C ATOM 1011 O CYS A 128 17.384 30.834 17.990 1.00 14.51 O ATOM 1012 CB CYS A 128 17.838 27.991 17.399 1.00 12.10 C ATOM 1013 SG CYS A 128 17.386 26.455 16.546 1.00 11.61 S ATOM 1014 N GLY A 129 19.470 31.030 17.179 1.00 16.51 N ATOM 1015 CA GLY A 129 19.743 32.249 17.922 1.00 19.04 C ATOM 1016 C GLY A 129 19.889 32.067 19.426 1.00 20.86 C ATOM 1017 O GLY A 129 19.516 32.956 20.200 1.00 20.84 O ATOM 1018 N VAL A 130 20.440 30.921 19.823 1.00 21.39 N ATOM 1019 CA VAL A 130 20.657 30.569 21.224 1.00 23.34 C ATOM 1020 C VAL A 130 22.150 30.359 21.497 1.00 26.07 C ATOM 1021 O VAL A 130 22.498 29.821 22.570 1.00 29.34 O ATOM 1022 CB VAL A 130 19.871 29.279 21.623 1.00 20.93 C ATOM 1023 CG1 VAL A 130 18.376 29.501 21.488 1.00 19.59 C ATOM 1024 CG2 VAL A 130 20.318 28.086 20.778 1.00 21.06 C ATOM 1025 OXT VAL A 130 22.965 30.736 20.627 1.00 28.55 O TER 1026 VAL A 130 HETATM 1027 N NO3 A 131 11.949 26.929 13.963 1.00 23.93 N HETATM 1028 O1 NO3 A 131 11.557 27.587 12.985 1.00 26.44 O HETATM 1029 O2 NO3 A 131 11.441 27.148 15.077 1.00 21.43 O HETATM 1030 O3 NO3 A 131 12.845 26.050 13.819 1.00 21.55 O HETATM 1031 N NO3 A 132 29.194 17.611 24.161 1.00 25.38 N HETATM 1032 O1 NO3 A 132 28.809 18.562 24.847 1.00 22.68 O HETATM 1033 O2 NO3 A 132 30.294 17.651 23.588 1.00 25.07 O HETATM 1034 O3 NO3 A 132 28.474 16.606 24.061 1.00 25.53 O HETATM 1035 O HOH A 133 8.430 14.918 29.546 1.00 6.40 O HETATM 1036 O HOH A 134 5.135 20.233 31.767 1.00 6.18 O HETATM 1037 O HOH A 135 -1.046 11.414 39.113 1.00 5.53 O HETATM 1038 O HOH A 136 3.571 6.075 38.855 1.00 10.21 O HETATM 1039 O HOH A 137 6.408 16.974 28.318 1.00 11.44 O HETATM 1040 O HOH A 138 2.105 3.183 33.582 1.00 10.63 O HETATM 1041 O HOH A 139 1.263 17.592 39.802 1.00 14.02 O HETATM 1042 O HOH A 140 19.660 28.115 29.797 1.00 9.70 O HETATM 1043 O HOH A 141 24.512 23.895 22.846 1.00 13.28 O HETATM 1044 O HOH A 142 4.181 23.074 33.081 1.00 16.44 O HETATM 1045 O HOH A 143 4.698 19.095 29.139 1.00 12.69 O HETATM 1046 O HOH A 144 26.294 13.228 35.456 1.00 15.90 O HETATM 1047 O HOH A 145 14.125 20.501 39.771 1.00 16.66 O HETATM 1048 O HOH A 146 -1.043 6.529 30.899 1.00 18.79 O HETATM 1049 O HOH A 147 20.365 10.463 35.989 1.00 15.98 O HETATM 1050 O HOH A 148 -0.734 23.525 28.848 1.00 23.57 O HETATM 1051 O HOH A 149 0.267 18.801 25.124 1.00 14.19 O HETATM 1052 O HOH A 150 2.043 4.192 40.452 1.00 16.77 O HETATM 1053 O HOH A 151 26.690 14.415 22.680 1.00 11.84 O HETATM 1054 O HOH A 152 6.636 26.031 27.682 1.00 23.57 O HETATM 1055 O HOH A 153 10.803 24.771 35.084 1.00 18.94 O HETATM 1056 O HOH A 154 15.355 18.590 14.543 1.00 23.47 O HETATM 1057 O HOH A 155 10.809 29.796 15.200 1.00 19.20 O HETATM 1058 O HOH A 156 8.784 19.911 14.812 1.00 24.25 O HETATM 1059 O HOH A 157 13.207 24.506 36.526 1.00 17.12 O HETATM 1060 O HOH A 158 6.875 7.455 40.259 1.00 17.97 O HETATM 1061 O HOH A 159 15.918 31.949 25.017 1.00 37.78 O HETATM 1062 O HOH A 160 1.182 21.303 17.819 1.00 28.38 O HETATM 1063 O HOH A 161 26.038 11.961 32.094 1.00 25.15 O HETATM 1064 O HOH A 162 -3.576 14.655 31.490 1.00 23.29 O HETATM 1065 O HOH A 163 14.983 7.130 26.213 1.00 23.00 O HETATM 1066 O HOH A 164 12.682 8.768 32.374 1.00 22.02 O HETATM 1067 O HOH A 165 9.901 18.010 39.877 1.00 31.23 O HETATM 1068 O HOH A 166 28.700 12.977 23.924 1.00 20.37 O HETATM 1069 O HOH A 167 13.536 12.588 45.327 1.00 24.37 O HETATM 1070 O HOH A 168 10.237 6.428 25.076 1.00 24.78 O HETATM 1071 O HOH A 169 21.730 28.927 17.878 1.00 25.06 O HETATM 1072 O HOH A 170 10.935 1.807 34.491 1.00 21.72 O HETATM 1073 O HOH A 171 8.449 3.200 25.822 1.00 36.66 O HETATM 1074 O HOH A 172 17.469 16.486 44.021 1.00 26.66 O HETATM 1075 O HOH A 173 22.520 28.894 31.324 1.00 32.97 O HETATM 1076 O HOH A 174 17.802 26.274 36.910 1.00 23.96 O HETATM 1077 O HOH A 175 9.684 30.939 22.218 1.00 30.73 O HETATM 1078 O HOH A 176 26.738 5.563 22.932 1.00 29.57 O HETATM 1079 O HOH A 177 2.346 3.126 23.985 1.00 31.09 O HETATM 1080 O HOH A 178 11.049 21.772 13.573 1.00 25.53 O HETATM 1081 O HOH A 179 -0.083 3.934 29.957 1.00 22.45 O HETATM 1082 O HOH A 180 22.512 12.826 16.692 1.00 24.89 O HETATM 1083 O HOH A 181 4.715 24.732 17.279 1.00 48.59 O HETATM 1084 O HOH A 182 23.291 26.279 34.007 1.00 34.76 O HETATM 1085 O HOH A 183 0.706 -0.002 34.173 1.00 20.46 O HETATM 1086 O HOH A 184 22.183 7.586 38.325 1.00 38.34 O HETATM 1087 O HOH A 185 4.358 25.994 25.036 1.00 32.86 O HETATM 1088 O HOH A 186 9.216 34.594 26.319 1.00 36.62 O HETATM 1089 O HOH A 187 -1.391 -0.078 32.293 1.00 40.42 O HETATM 1090 O HOH A 188 29.142 15.761 21.354 1.00 26.32 O HETATM 1091 O HOH A 189 24.273 28.803 14.767 1.00 47.78 O HETATM 1092 O HOH A 190 16.054 5.306 29.226 1.00 34.40 O HETATM 1093 O HOH A 191 6.300 14.565 16.944 1.00 41.43 O HETATM 1094 O HOH A 192 17.306 9.506 43.387 1.00 32.86 O HETATM 1095 O HOH A 193 -2.010 18.854 22.083 1.00 41.49 O HETATM 1096 O HOH A 194 19.106 4.134 32.404 1.00 47.99 O HETATM 1097 O HOH A 195 19.017 8.189 37.116 1.00 28.51 O HETATM 1098 O HOH A 196 2.600 16.698 43.987 1.00 37.59 O HETATM 1099 O HOH A 197 27.553 11.897 29.926 1.00 26.28 O HETATM 1100 O HOH A 198 17.137 5.004 19.850 1.00 27.56 O HETATM 1101 O HOH A 199 23.755 23.594 36.985 1.00 30.91 O HETATM 1102 O HOH A 200 25.487 18.176 14.314 1.00 42.01 O HETATM 1103 O HOH A 201 -2.090 8.144 28.707 1.00 36.75 O HETATM 1104 O HOH A 202 7.691 8.656 21.158 1.00 38.28 O HETATM 1105 O HOH A 203 10.924 0.839 31.357 1.00 32.46 O HETATM 1106 O HOH A 204 31.806 7.971 27.470 1.00 46.45 O HETATM 1107 O HOH A 205 18.192 23.331 40.138 1.00 36.09 O HETATM 1108 O HOH A 206 29.905 20.707 15.637 1.00 40.71 O HETATM 1109 O HOH A 207 6.276 -2.619 25.138 1.00 30.01 O HETATM 1110 O HOH A 208 21.519 10.789 15.070 1.00 45.66 O HETATM 1111 O HOH A 209 2.130 27.192 21.484 1.00 40.68 O HETATM 1112 O HOH A 210 8.141 2.577 46.220 1.00 46.84 O HETATM 1113 O HOH A 211 9.152 19.664 43.684 1.00 47.91 O HETATM 1114 O HOH A 212 10.231 17.234 44.659 1.00 46.01 O HETATM 1115 O HOH A 213 8.437 16.872 15.050 1.00 44.13 O HETATM 1116 O HOH A 214 7.541 28.870 23.992 1.00 38.45 O HETATM 1117 O HOH A 215 20.479 13.454 43.590 1.00 42.80 O HETATM 1118 O HOH A 216 12.013 11.159 16.851 1.00 45.16 O HETATM 1119 O HOH A 217 5.482 6.608 45.725 1.00 44.44 O HETATM 1120 O HOH A 218 15.605 6.866 34.655 1.00 40.02 O HETATM 1121 O HOH A 219 14.230 23.306 38.964 1.00 43.58 O HETATM 1122 O HOH A 220 7.887 20.810 39.422 1.00 34.32 O HETATM 1123 O HOH A 221 11.311 15.902 15.197 1.00 42.94 O CONECT 53 1013 CONECT 243 912 CONECT 530 638 CONECT 608 734 CONECT 638 530 CONECT 734 608 CONECT 912 243 CONECT 1013 53 CONECT 1027 1028 1029 1030 CONECT 1028 1027 CONECT 1029 1027 CONECT 1030 1027 CONECT 1031 1032 1033 1034 CONECT 1032 1031 CONECT 1033 1031 CONECT 1034 1031 MASTER 215 0 2 8 2 0 4 6 1122 1 16 10 END If you find results from this site helpful for your research, please cite one of our papers:
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