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*** HYDROLASE (O-GLYCOSYL) 21-AUG-96 1REX ***elNémo ID: 2408050657512753716Job options:ID = 2408050657512753716 JOBID = HYDROLASE (O-GLYCOSYL) 21-AUG-96 1REX 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 HYDROLASE (O-GLYCOSYL) 21-AUG-96 1REX TITLE NATIVE HUMAN LYSOZYME COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: MURAMIDASE; COMPND 5 EC: 3.2.1.17; COMPND 6 OTHER_DETAILS: HUMAN LYSOZYME, PH 4.5, NO LIGAND SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606 KEYWDS HYDROLASE (O-GLYCOSYL), GLYCOSYDASE, VERTEBRATE C-TYPE EXPDTA X-RAY DIFFRACTION AUTHOR M.MURAKI,K.HARATA REVDAT 4 09-AUG-23 1REX 1 REMARK REVDAT 3 18-APR-18 1REX 1 REMARK REVDAT 2 24-FEB-09 1REX 1 VERSN REVDAT 1 12-FEB-97 1REX 0 JRNL AUTH M.MURAKI,K.HARATA,N.SUGITA,K.SATO JRNL TITL ORIGIN OF CARBOHYDRATE RECOGNITION SPECIFICITY OF HUMAN JRNL TITL 2 LYSOZYME REVEALED BY AFFINITY LABELING. JRNL REF BIOCHEMISTRY V. 35 13562 1996 JRNL REFN ISSN 0006-2960 JRNL PMID 8885835 JRNL DOI 10.1021/BI9613180 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.MURAKI,K.HARATA,Y.JIGAMI REMARK 1 TITL DISSECTION OF THE FUNCTIONAL ROLE OF STRUCTURAL ELEMENTS OF REMARK 1 TITL 2 TYROSINE-63 IN THE CATALYTIC ACTION OF HUMAN LYSOZYME REMARK 1 REF BIOCHEMISTRY V. 31 9212 1992 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. 1.50 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50 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) (%) : 88.9 REMARK 3 NUMBER OF REFLECTIONS : 16901 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) : 0.191 REMARK 3 FREE R VALUE : 0.208 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL 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 : 1029 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 106 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 17.84 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) : 1.466 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.48 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.293 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 1REX 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_1000176061. 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 : 22434 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.380 REMARK 200 RESOLUTION RANGE LOW (A) : 21.600 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 79.3 REMARK 200 DATA REDUNDANCY : 5.300 REMARK 200 R MERGE (I) : 0.06900 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 3.1 REMARK 200 STARTING MODEL: NATIVE HUMAN LYSOZYME (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: PH 4.5 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 28.57000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 16.55000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 30.51000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 16.55000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 28.57000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 30.51000 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 DBREF 1REX A 1 130 UNP P61626 LYSC_HUMAN 19 148 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 GLU 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 FORMUL 2 HOH *106(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 TYR A 124 5 3 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 2.01 SSBOND 3 CYS A 65 CYS A 81 1555 1555 2.04 SSBOND 4 CYS A 77 CYS A 95 1555 1555 2.02 CRYST1 57.140 61.020 33.100 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 0.017501 0.000000 0.000000 0.00000 SCALE2 0.000000 0.016388 0.000000 0.00000 SCALE3 0.000000 0.000000 0.030211 0.00000 ATOM 1 N LYS A 1 1.251 19.636 22.152 1.00 10.85 N ATOM 2 CA LYS A 1 1.899 20.606 21.229 1.00 10.55 C ATOM 3 C LYS A 1 3.168 20.004 20.624 1.00 10.49 C ATOM 4 O LYS A 1 3.910 19.328 21.327 1.00 10.77 O ATOM 5 CB LYS A 1 2.282 21.871 22.016 1.00 12.60 C ATOM 6 CG LYS A 1 3.243 22.812 21.285 1.00 16.02 C ATOM 7 CD LYS A 1 3.634 24.000 22.146 1.00 16.59 C ATOM 8 CE LYS A 1 4.454 24.988 21.347 1.00 18.78 C ATOM 9 NZ LYS A 1 4.729 26.218 22.143 1.00 22.56 N ATOM 10 N VAL A 2 3.384 20.212 19.329 1.00 10.57 N ATOM 11 CA VAL A 2 4.597 19.736 18.678 1.00 11.60 C ATOM 12 C VAL A 2 5.389 21.024 18.429 1.00 12.41 C ATOM 13 O VAL A 2 4.916 21.932 17.730 1.00 11.94 O ATOM 14 CB VAL A 2 4.304 19.032 17.338 1.00 13.00 C ATOM 15 CG1 VAL A 2 5.614 18.569 16.684 1.00 12.39 C ATOM 16 CG2 VAL A 2 3.366 17.850 17.567 1.00 13.38 C ATOM 17 N PHE A 3 6.521 21.159 19.117 1.00 11.56 N ATOM 18 CA PHE A 3 7.373 22.338 18.986 1.00 11.69 C ATOM 19 C PHE A 3 8.142 22.331 17.689 1.00 11.91 C ATOM 20 O PHE A 3 8.417 21.280 17.129 1.00 12.01 O ATOM 21 CB PHE A 3 8.433 22.369 20.086 1.00 11.71 C ATOM 22 CG PHE A 3 7.953 22.905 21.391 1.00 11.49 C ATOM 23 CD1 PHE A 3 7.226 22.108 22.263 1.00 12.47 C ATOM 24 CD2 PHE A 3 8.286 24.186 21.780 1.00 11.68 C ATOM 25 CE1 PHE A 3 6.833 22.593 23.513 1.00 15.19 C ATOM 26 CE2 PHE A 3 7.898 24.676 23.022 1.00 12.64 C ATOM 27 CZ PHE A 3 7.173 23.879 23.893 1.00 12.84 C ATOM 28 N GLU A 4 8.479 23.520 17.209 1.00 12.69 N ATOM 29 CA GLU A 4 9.334 23.632 16.040 1.00 14.04 C ATOM 30 C GLU A 4 10.720 23.618 16.696 1.00 11.79 C ATOM 31 O GLU A 4 10.865 24.024 17.857 1.00 10.31 O ATOM 32 CB GLU A 4 9.110 24.954 15.310 1.00 20.10 C ATOM 33 CG GLU A 4 7.788 25.025 14.567 1.00 29.44 C ATOM 34 CD GLU A 4 7.539 26.388 13.956 1.00 35.69 C ATOM 35 OE1 GLU A 4 7.115 27.310 14.705 1.00 38.18 O ATOM 36 OE2 GLU A 4 7.768 26.528 12.730 1.00 38.64 O ATOM 37 N ARG A 5 11.734 23.199 15.950 1.00 9.83 N ATOM 38 CA ARG A 5 13.093 23.090 16.478 1.00 10.92 C ATOM 39 C ARG A 5 13.620 24.303 17.254 1.00 10.23 C ATOM 40 O ARG A 5 13.928 24.192 18.445 1.00 10.28 O ATOM 41 CB ARG A 5 14.071 22.731 15.355 1.00 9.54 C ATOM 42 CG ARG A 5 15.498 22.466 15.818 1.00 9.89 C ATOM 43 CD ARG A 5 16.350 21.971 14.673 1.00 11.68 C ATOM 44 NE ARG A 5 16.453 22.930 13.574 1.00 13.53 N ATOM 45 CZ ARG A 5 17.441 23.815 13.432 1.00 15.77 C ATOM 46 NH1 ARG A 5 18.406 23.899 14.344 1.00 17.01 N ATOM 47 NH2 ARG A 5 17.446 24.640 12.389 1.00 16.95 N ATOM 48 N CYS A 6 13.703 25.456 16.590 1.00 9.69 N ATOM 49 CA CYS A 6 14.234 26.638 17.257 1.00 9.86 C ATOM 50 C CYS A 6 13.350 27.199 18.356 1.00 9.46 C ATOM 51 O CYS A 6 13.854 27.777 19.325 1.00 9.29 O ATOM 52 CB CYS A 6 14.627 27.698 16.233 1.00 11.51 C ATOM 53 SG CYS A 6 15.994 27.119 15.185 1.00 13.68 S ATOM 54 N GLU A 7 12.041 27.010 18.213 1.00 7.95 N ATOM 55 CA GLU A 7 11.091 27.446 19.222 1.00 8.09 C ATOM 56 C GLU A 7 11.402 26.705 20.530 1.00 8.45 C ATOM 57 O GLU A 7 11.426 27.303 21.610 1.00 6.95 O ATOM 58 CB GLU A 7 9.669 27.124 18.770 1.00 10.91 C ATOM 59 CG GLU A 7 8.601 27.486 19.794 1.00 17.15 C ATOM 60 CD GLU A 7 7.200 26.978 19.421 1.00 21.73 C ATOM 61 OE1 GLU A 7 7.076 26.047 18.576 1.00 21.43 O ATOM 62 OE2 GLU A 7 6.221 27.505 19.998 1.00 22.02 O ATOM 63 N LEU A 8 11.658 25.398 20.425 1.00 8.64 N ATOM 64 CA LEU A 8 11.982 24.603 21.599 1.00 7.46 C ATOM 65 C LEU A 8 13.336 25.022 22.169 1.00 6.00 C ATOM 66 O LEU A 8 13.495 25.145 23.379 1.00 6.89 O ATOM 67 CB LEU A 8 11.985 23.106 21.244 1.00 7.00 C ATOM 68 CG LEU A 8 12.335 22.165 22.411 1.00 7.92 C ATOM 69 CD1 LEU A 8 11.335 22.290 23.558 1.00 7.49 C ATOM 70 CD2 LEU A 8 12.408 20.725 21.900 1.00 8.22 C ATOM 71 N ALA A 9 14.313 25.257 21.302 1.00 6.81 N ATOM 72 CA ALA A 9 15.655 25.645 21.762 1.00 8.81 C ATOM 73 C ALA A 9 15.624 26.936 22.605 1.00 7.91 C ATOM 74 O ALA A 9 16.237 27.016 23.678 1.00 8.22 O ATOM 75 CB ALA A 9 16.608 25.788 20.571 1.00 8.18 C ATOM 76 N ARG A 10 14.897 27.940 22.131 1.00 8.95 N ATOM 77 CA ARG A 10 14.797 29.183 22.887 1.00 8.80 C ATOM 78 C ARG A 10 14.020 28.986 24.182 1.00 8.47 C ATOM 79 O ARG A 10 14.350 29.580 25.221 1.00 7.67 O ATOM 80 CB ARG A 10 14.158 30.272 22.032 1.00 9.08 C ATOM 81 CG ARG A 10 15.037 30.695 20.866 1.00 8.15 C ATOM 82 CD ARG A 10 14.448 31.904 20.151 1.00 12.64 C ATOM 83 NE ARG A 10 13.227 31.573 19.421 1.00 13.22 N ATOM 84 CZ ARG A 10 13.211 31.144 18.164 1.00 12.69 C ATOM 85 NH1 ARG A 10 14.351 31.007 17.493 1.00 11.89 N ATOM 86 NH2 ARG A 10 12.055 30.864 17.580 1.00 13.50 N ATOM 87 N THR A 11 13.009 28.116 24.141 1.00 8.72 N ATOM 88 CA THR A 11 12.211 27.848 25.333 1.00 9.26 C ATOM 89 C THR A 11 13.089 27.181 26.394 1.00 7.90 C ATOM 90 O THR A 11 13.077 27.578 27.553 1.00 8.59 O ATOM 91 CB THR A 11 10.992 26.962 25.007 1.00 8.15 C ATOM 92 OG1 THR A 11 10.185 27.585 24.001 1.00 9.46 O ATOM 93 CG2 THR A 11 10.143 26.758 26.254 1.00 9.53 C ATOM 94 N LEU A 12 13.884 26.197 25.981 1.00 7.13 N ATOM 95 CA LEU A 12 14.770 25.503 26.927 1.00 7.61 C ATOM 96 C LEU A 12 15.808 26.459 27.495 1.00 8.17 C ATOM 97 O LEU A 12 16.169 26.370 28.673 1.00 10.26 O ATOM 98 CB LEU A 12 15.457 24.292 26.266 1.00 7.79 C ATOM 99 CG LEU A 12 14.550 23.097 25.919 1.00 9.99 C ATOM 100 CD1 LEU A 12 15.359 22.025 25.203 1.00 8.51 C ATOM 101 CD2 LEU A 12 13.896 22.529 27.177 1.00 11.86 C ATOM 102 N LYS A 13 16.301 27.363 26.654 1.00 7.83 N ATOM 103 CA LYS A 13 17.296 28.329 27.105 1.00 9.58 C ATOM 104 C LYS A 13 16.695 29.204 28.203 1.00 10.12 C ATOM 105 O LYS A 13 17.288 29.368 29.269 1.00 8.47 O ATOM 106 CB LYS A 13 17.780 29.193 25.936 1.00 12.50 C ATOM 107 CG LYS A 13 19.037 29.993 26.275 1.00 18.38 C ATOM 108 CD LYS A 13 19.563 30.732 25.068 1.00 24.68 C ATOM 109 CE LYS A 13 20.668 31.738 25.433 1.00 29.56 C ATOM 110 NZ LYS A 13 20.882 32.751 24.332 1.00 30.70 N ATOM 111 N ARG A 14 15.485 29.713 27.968 1.00 9.79 N ATOM 112 CA ARG A 14 14.817 30.554 28.966 1.00 10.72 C ATOM 113 C ARG A 14 14.581 29.838 30.283 1.00 9.93 C ATOM 114 O ARG A 14 14.580 30.458 31.344 1.00 9.73 O ATOM 115 CB ARG A 14 13.475 31.064 28.442 1.00 14.01 C ATOM 116 CG ARG A 14 13.583 32.307 27.585 1.00 20.87 C ATOM 117 CD ARG A 14 12.205 32.876 27.265 1.00 23.11 C ATOM 118 NE ARG A 14 11.549 32.191 26.152 1.00 27.57 N ATOM 119 CZ ARG A 14 10.632 31.241 26.291 1.00 28.99 C ATOM 120 NH1 ARG A 14 10.262 30.846 27.501 1.00 31.02 N ATOM 121 NH2 ARG A 14 10.048 30.725 25.219 1.00 30.05 N ATOM 122 N LEU A 15 14.353 28.528 30.210 1.00 9.76 N ATOM 123 CA LEU A 15 14.089 27.719 31.405 1.00 10.45 C ATOM 124 C LEU A 15 15.354 27.254 32.125 1.00 9.96 C ATOM 125 O LEU A 15 15.280 26.457 33.048 1.00 11.98 O ATOM 126 CB LEU A 15 13.186 26.536 31.065 1.00 10.46 C ATOM 127 CG LEU A 15 11.775 26.974 30.652 1.00 13.01 C ATOM 128 CD1 LEU A 15 10.989 25.831 29.989 1.00 12.87 C ATOM 129 CD2 LEU A 15 11.048 27.511 31.883 1.00 12.59 C ATOM 130 N GLY A 16 16.502 27.777 31.704 1.00 10.58 N ATOM 131 CA GLY A 16 17.764 27.467 32.351 1.00 10.19 C ATOM 132 C GLY A 16 18.400 26.119 32.095 1.00 9.16 C ATOM 133 O GLY A 16 19.164 25.645 32.940 1.00 10.25 O ATOM 134 N MET A 17 18.166 25.542 30.917 1.00 9.27 N ATOM 135 CA MET A 17 18.718 24.223 30.595 1.00 9.69 C ATOM 136 C MET A 17 20.107 24.228 29.986 1.00 11.47 C ATOM 137 O MET A 17 20.812 23.214 30.018 1.00 11.21 O ATOM 138 CB MET A 17 17.763 23.477 29.666 1.00 10.02 C ATOM 139 CG MET A 17 16.446 23.118 30.337 1.00 12.49 C ATOM 140 SD MET A 17 16.701 21.827 31.545 1.00 15.03 S ATOM 141 CE MET A 17 15.968 20.461 30.607 1.00 15.76 C ATOM 142 N ASP A 18 20.524 25.374 29.458 1.00 11.61 N ATOM 143 CA ASP A 18 21.824 25.446 28.817 1.00 12.00 C ATOM 144 C ASP A 18 22.967 25.338 29.806 1.00 12.21 C ATOM 145 O ASP A 18 23.216 26.263 30.563 1.00 12.38 O ATOM 146 CB ASP A 18 21.948 26.721 27.986 1.00 13.37 C ATOM 147 CG ASP A 18 23.100 26.663 26.992 1.00 17.47 C ATOM 148 OD1 ASP A 18 23.659 25.563 26.772 1.00 17.54 O ATOM 149 OD2 ASP A 18 23.449 27.717 26.416 1.00 19.76 O ATOM 150 N GLY A 19 23.650 24.197 29.806 1.00 10.03 N ATOM 151 CA GLY A 19 24.757 23.997 30.715 1.00 8.39 C ATOM 152 C GLY A 19 24.329 23.442 32.054 1.00 9.70 C ATOM 153 O GLY A 19 25.162 23.309 32.953 1.00 11.44 O ATOM 154 N TYR A 20 23.044 23.108 32.210 1.00 10.26 N ATOM 155 CA TYR A 20 22.564 22.555 33.478 1.00 9.56 C ATOM 156 C TYR A 20 23.270 21.226 33.745 1.00 9.33 C ATOM 157 O TYR A 20 23.199 20.298 32.950 1.00 9.34 O ATOM 158 CB TYR A 20 21.045 22.352 33.484 1.00 8.50 C ATOM 159 CG TYR A 20 20.525 22.013 34.860 1.00 10.24 C ATOM 160 CD1 TYR A 20 20.276 23.016 35.792 1.00 11.90 C ATOM 161 CD2 TYR A 20 20.314 20.687 35.250 1.00 11.27 C ATOM 162 CE1 TYR A 20 19.843 22.719 37.081 1.00 12.84 C ATOM 163 CE2 TYR A 20 19.880 20.373 36.538 1.00 10.84 C ATOM 164 CZ TYR A 20 19.644 21.398 37.454 1.00 14.60 C ATOM 165 OH TYR A 20 19.228 21.110 38.741 1.00 14.83 O ATOM 166 N ARG A 21 23.954 21.173 34.886 1.00 10.77 N ATOM 167 CA ARG A 21 24.742 20.025 35.313 1.00 13.21 C ATOM 168 C ARG A 21 25.738 19.613 34.226 1.00 11.95 C ATOM 169 O ARG A 21 26.042 18.435 34.062 1.00 12.31 O ATOM 170 CB ARG A 21 23.862 18.854 35.768 1.00 15.87 C ATOM 171 CG ARG A 21 23.994 18.596 37.252 1.00 24.97 C ATOM 172 CD ARG A 21 23.936 17.111 37.595 1.00 29.90 C ATOM 173 NE ARG A 21 24.688 16.252 36.666 1.00 34.40 N ATOM 174 CZ ARG A 21 25.057 14.997 36.934 1.00 35.33 C ATOM 175 NH1 ARG A 21 24.802 14.479 38.130 1.00 34.36 N ATOM 176 NH2 ARG A 21 25.727 14.277 36.029 1.00 37.03 N ATOM 177 N GLY A 22 26.248 20.613 33.504 1.00 8.72 N ATOM 178 CA GLY A 22 27.210 20.383 32.444 1.00 8.07 C ATOM 179 C GLY A 22 26.659 19.929 31.113 1.00 6.41 C ATOM 180 O GLY A 22 27.427 19.605 30.215 1.00 7.79 O ATOM 181 N ILE A 23 25.339 19.942 30.956 1.00 7.14 N ATOM 182 CA ILE A 23 24.715 19.478 29.718 1.00 7.58 C ATOM 183 C ILE A 23 24.338 20.631 28.801 1.00 7.48 C ATOM 184 O ILE A 23 23.529 21.496 29.158 1.00 9.25 O ATOM 185 CB ILE A 23 23.454 18.636 30.007 1.00 7.88 C ATOM 186 CG1 ILE A 23 23.796 17.506 30.973 1.00 9.35 C ATOM 187 CG2 ILE A 23 22.888 18.090 28.719 1.00 8.81 C ATOM 188 CD1 ILE A 23 22.589 16.930 31.705 1.00 9.40 C ATOM 189 N SER A 24 24.916 20.631 27.613 1.00 7.55 N ATOM 190 CA SER A 24 24.658 21.701 26.668 1.00 8.87 C ATOM 191 C SER A 24 23.241 21.631 26.108 1.00 9.90 C ATOM 192 O SER A 24 22.627 20.568 26.066 1.00 8.44 O ATOM 193 CB SER A 24 25.661 21.636 25.517 1.00 8.67 C ATOM 194 OG SER A 24 25.439 20.477 24.733 1.00 10.92 O ATOM 195 N LEU A 25 22.754 22.761 25.610 1.00 8.47 N ATOM 196 CA LEU A 25 21.429 22.833 25.014 1.00 9.46 C ATOM 197 C LEU A 25 21.262 21.836 23.846 1.00 10.18 C ATOM 198 O LEU A 25 20.209 21.217 23.718 1.00 9.61 O ATOM 199 CB LEU A 25 21.188 24.265 24.545 1.00 11.92 C ATOM 200 CG LEU A 25 19.796 24.646 24.082 1.00 13.89 C ATOM 201 CD1 LEU A 25 18.810 24.413 25.208 1.00 16.20 C ATOM 202 CD2 LEU A 25 19.829 26.112 23.688 1.00 14.13 C ATOM 203 N ALA A 26 22.297 21.682 23.008 1.00 9.05 N ATOM 204 CA ALA A 26 22.249 20.758 21.865 1.00 8.30 C ATOM 205 C ALA A 26 22.003 19.326 22.326 1.00 8.69 C ATOM 206 O ALA A 26 21.311 18.565 21.653 1.00 8.98 O ATOM 207 CB ALA A 26 23.519 20.835 21.061 1.00 9.44 C ATOM 208 N ASN A 27 22.579 18.955 23.466 1.00 7.88 N ATOM 209 CA ASN A 27 22.354 17.622 24.015 1.00 7.92 C ATOM 210 C ASN A 27 20.907 17.440 24.462 1.00 7.64 C ATOM 211 O ASN A 27 20.321 16.389 24.224 1.00 8.81 O ATOM 212 CB ASN A 27 23.330 17.331 25.139 1.00 9.46 C ATOM 213 CG ASN A 27 24.627 16.773 24.619 1.00 9.94 C ATOM 214 OD1 ASN A 27 24.650 15.701 24.008 1.00 9.33 O ATOM 215 ND2 ASN A 27 25.715 17.510 24.823 1.00 9.88 N ATOM 216 N TRP A 28 20.319 18.468 25.077 1.00 7.39 N ATOM 217 CA TRP A 28 18.907 18.390 25.492 1.00 6.77 C ATOM 218 C TRP A 28 18.010 18.305 24.251 1.00 6.73 C ATOM 219 O TRP A 28 16.989 17.596 24.247 1.00 6.86 O ATOM 220 CB TRP A 28 18.498 19.609 26.326 1.00 6.09 C ATOM 221 CG TRP A 28 19.080 19.663 27.735 1.00 5.54 C ATOM 222 CD1 TRP A 28 19.968 20.595 28.226 1.00 6.76 C ATOM 223 CD2 TRP A 28 18.740 18.816 28.834 1.00 5.05 C ATOM 224 NE1 TRP A 28 20.177 20.386 29.569 1.00 7.36 N ATOM 225 CE2 TRP A 28 19.443 19.305 29.970 1.00 7.05 C ATOM 226 CE3 TRP A 28 17.906 17.698 28.982 1.00 7.82 C ATOM 227 CZ2 TRP A 28 19.333 18.711 31.229 1.00 7.67 C ATOM 228 CZ3 TRP A 28 17.793 17.104 30.239 1.00 7.56 C ATOM 229 CH2 TRP A 28 18.504 17.615 31.343 1.00 10.08 C ATOM 230 N MET A 29 18.379 19.040 23.204 1.00 6.27 N ATOM 231 CA MET A 29 17.598 19.047 21.969 1.00 6.20 C ATOM 232 C MET A 29 17.659 17.674 21.307 1.00 8.44 C ATOM 233 O MET A 29 16.638 17.160 20.830 1.00 7.72 O ATOM 234 CB MET A 29 18.110 20.133 21.010 1.00 6.61 C ATOM 235 CG MET A 29 17.788 21.564 21.474 1.00 7.11 C ATOM 236 SD MET A 29 16.033 21.908 21.358 1.00 9.97 S ATOM 237 CE MET A 29 15.810 21.792 19.627 1.00 8.59 C ATOM 238 N CYS A 30 18.851 17.083 21.256 1.00 8.12 N ATOM 239 CA CYS A 30 19.010 15.757 20.660 1.00 7.72 C ATOM 240 C CYS A 30 18.149 14.765 21.451 1.00 7.32 C ATOM 241 O CYS A 30 17.489 13.904 20.855 1.00 8.08 O ATOM 242 CB CYS A 30 20.481 15.359 20.662 1.00 9.43 C ATOM 243 SG CYS A 30 20.823 13.788 19.837 1.00 9.03 S ATOM 244 N LEU A 31 18.114 14.909 22.777 1.00 7.68 N ATOM 245 CA LEU A 31 17.302 14.023 23.606 1.00 8.34 C ATOM 246 C LEU A 31 15.807 14.138 23.283 1.00 9.16 C ATOM 247 O LEU A 31 15.145 13.136 23.018 1.00 11.02 O ATOM 248 CB LEU A 31 17.541 14.305 25.096 1.00 9.39 C ATOM 249 CG LEU A 31 16.661 13.538 26.093 1.00 10.03 C ATOM 250 CD1 LEU A 31 17.057 12.055 26.117 1.00 10.54 C ATOM 251 CD2 LEU A 31 16.813 14.142 27.475 1.00 11.53 C ATOM 252 N ALA A 32 15.265 15.356 23.307 1.00 8.85 N ATOM 253 CA ALA A 32 13.837 15.556 23.007 1.00 7.43 C ATOM 254 C ALA A 32 13.457 15.061 21.600 1.00 8.01 C ATOM 255 O ALA A 32 12.407 14.450 21.402 1.00 9.07 O ATOM 256 CB ALA A 32 13.463 17.046 23.175 1.00 8.67 C ATOM 257 N LYS A 33 14.324 15.318 20.630 1.00 7.72 N ATOM 258 CA LYS A 33 14.104 14.921 19.244 1.00 10.16 C ATOM 259 C LYS A 33 13.881 13.425 19.134 1.00 11.48 C ATOM 260 O LYS A 33 12.870 12.977 18.596 1.00 11.21 O ATOM 261 CB LYS A 33 15.322 15.325 18.408 1.00 13.37 C ATOM 262 CG LYS A 33 15.393 14.728 17.007 1.00 19.63 C ATOM 263 CD LYS A 33 14.260 15.198 16.135 1.00 23.74 C ATOM 264 CE LYS A 33 14.489 14.793 14.676 1.00 27.53 C ATOM 265 NZ LYS A 33 14.713 13.322 14.542 1.00 30.51 N ATOM 266 N TRP A 34 14.821 12.657 19.671 1.00 10.10 N ATOM 267 CA TRP A 34 14.725 11.215 19.592 1.00 10.90 C ATOM 268 C TRP A 34 13.744 10.576 20.540 1.00 10.71 C ATOM 269 O TRP A 34 13.198 9.523 20.232 1.00 13.31 O ATOM 270 CB TRP A 34 16.117 10.588 19.689 1.00 11.06 C ATOM 271 CG TRP A 34 16.934 10.985 18.512 1.00 11.33 C ATOM 272 CD1 TRP A 34 17.953 11.881 18.494 1.00 11.54 C ATOM 273 CD2 TRP A 34 16.703 10.607 17.152 1.00 12.57 C ATOM 274 NE1 TRP A 34 18.359 12.106 17.203 1.00 13.15 N ATOM 275 CE2 TRP A 34 17.607 11.333 16.358 1.00 12.17 C ATOM 276 CE3 TRP A 34 15.807 9.727 16.527 1.00 14.55 C ATOM 277 CZ2 TRP A 34 17.649 11.216 14.970 1.00 15.28 C ATOM 278 CZ3 TRP A 34 15.845 9.606 15.138 1.00 15.93 C ATOM 279 CH2 TRP A 34 16.761 10.349 14.379 1.00 15.64 C ATOM 280 N GLU A 35 13.442 11.246 21.644 1.00 8.97 N ATOM 281 CA GLU A 35 12.499 10.700 22.606 1.00 8.64 C ATOM 282 C GLU A 35 11.067 10.878 22.162 1.00 9.83 C ATOM 283 O GLU A 35 10.268 9.950 22.251 1.00 8.93 O ATOM 284 CB GLU A 35 12.649 11.358 23.991 1.00 9.66 C ATOM 285 CG GLU A 35 13.902 10.953 24.805 1.00 10.47 C ATOM 286 CD GLU A 35 13.966 9.462 25.164 1.00 14.63 C ATOM 287 OE1 GLU A 35 12.948 8.745 25.053 1.00 13.83 O ATOM 288 OE2 GLU A 35 15.054 9.008 25.570 1.00 15.83 O ATOM 289 N SER A 36 10.741 12.070 21.676 1.00 9.13 N ATOM 290 CA SER A 36 9.366 12.361 21.291 1.00 9.04 C ATOM 291 C SER A 36 9.146 13.110 19.989 1.00 10.68 C ATOM 292 O SER A 36 7.997 13.363 19.617 1.00 12.17 O ATOM 293 CB SER A 36 8.747 13.205 22.390 1.00 9.99 C ATOM 294 OG SER A 36 9.404 14.463 22.421 1.00 10.15 O ATOM 295 N GLY A 37 10.205 13.523 19.310 1.00 9.62 N ATOM 296 CA GLY A 37 9.989 14.296 18.102 1.00 10.33 C ATOM 297 C GLY A 37 9.434 15.666 18.468 1.00 10.25 C ATOM 298 O GLY A 37 8.682 16.266 17.697 1.00 11.71 O ATOM 299 N TYR A 38 9.793 16.139 19.659 1.00 9.31 N ATOM 300 CA TYR A 38 9.374 17.451 20.175 1.00 9.90 C ATOM 301 C TYR A 38 7.865 17.534 20.436 1.00 10.82 C ATOM 302 O TYR A 38 7.285 18.630 20.407 1.00 11.00 O ATOM 303 CB TYR A 38 9.746 18.578 19.198 1.00 9.64 C ATOM 304 CG TYR A 38 11.184 18.621 18.711 1.00 10.31 C ATOM 305 CD1 TYR A 38 12.259 18.333 19.562 1.00 10.55 C ATOM 306 CD2 TYR A 38 11.470 18.979 17.401 1.00 10.38 C ATOM 307 CE1 TYR A 38 13.582 18.418 19.105 1.00 10.53 C ATOM 308 CE2 TYR A 38 12.783 19.065 16.944 1.00 11.64 C ATOM 309 CZ TYR A 38 13.827 18.778 17.790 1.00 10.71 C ATOM 310 OH TYR A 38 15.116 18.834 17.296 1.00 11.82 O ATOM 311 N ASN A 39 7.253 16.401 20.776 1.00 9.69 N ATOM 312 CA ASN A 39 5.819 16.319 21.009 1.00 8.98 C ATOM 313 C ASN A 39 5.547 16.153 22.496 1.00 8.98 C ATOM 314 O ASN A 39 5.947 15.170 23.101 1.00 8.61 O ATOM 315 CB ASN A 39 5.285 15.139 20.196 1.00 9.32 C ATOM 316 CG ASN A 39 3.777 14.937 20.325 1.00 12.21 C ATOM 317 OD1 ASN A 39 3.052 15.742 20.922 1.00 12.09 O ATOM 318 ND2 ASN A 39 3.303 13.831 19.770 1.00 12.67 N ATOM 319 N THR A 40 4.856 17.126 23.090 1.00 7.65 N ATOM 320 CA THR A 40 4.546 17.076 24.513 1.00 8.43 C ATOM 321 C THR A 40 3.484 16.037 24.897 1.00 9.81 C ATOM 322 O THR A 40 3.341 15.697 26.068 1.00 11.15 O ATOM 323 CB THR A 40 4.050 18.437 25.035 1.00 8.77 C ATOM 324 OG1 THR A 40 2.826 18.773 24.352 1.00 9.80 O ATOM 325 CG2 THR A 40 5.077 19.526 24.769 1.00 9.35 C ATOM 326 N ARG A 41 2.712 15.588 23.919 1.00 11.82 N ATOM 327 CA ARG A 41 1.642 14.624 24.160 1.00 16.60 C ATOM 328 C ARG A 41 2.126 13.173 24.057 1.00 14.98 C ATOM 329 O ARG A 41 1.367 12.246 24.334 1.00 16.45 O ATOM 330 CB ARG A 41 0.518 14.856 23.133 1.00 20.48 C ATOM 331 CG ARG A 41 0.119 16.323 22.945 1.00 28.68 C ATOM 332 CD ARG A 41 -0.670 16.549 21.632 1.00 35.32 C ATOM 333 NE ARG A 41 0.105 17.215 20.569 1.00 39.08 N ATOM 334 CZ ARG A 41 -0.433 17.982 19.614 1.00 40.91 C ATOM 335 NH1 ARG A 41 -1.745 18.195 19.574 1.00 39.65 N ATOM 336 NH2 ARG A 41 0.333 18.514 18.675 1.00 42.05 N ATOM 337 N ALA A 42 3.377 12.973 23.647 1.00 13.60 N ATOM 338 CA ALA A 42 3.917 11.620 23.487 1.00 13.97 C ATOM 339 C ALA A 42 3.841 10.744 24.749 1.00 13.98 C ATOM 340 O ALA A 42 4.170 11.182 25.853 1.00 12.14 O ATOM 341 CB ALA A 42 5.360 11.683 22.967 1.00 12.24 C ATOM 342 N THR A 43 3.345 9.519 24.590 1.00 15.73 N ATOM 343 CA THR A 43 3.271 8.580 25.702 1.00 17.35 C ATOM 344 C THR A 43 3.620 7.236 25.125 1.00 17.73 C ATOM 345 O THR A 43 3.312 6.944 23.962 1.00 17.51 O ATOM 346 CB THR A 43 1.868 8.474 26.337 1.00 20.43 C ATOM 347 OG1 THR A 43 0.959 7.890 25.396 1.00 23.28 O ATOM 348 CG2 THR A 43 1.354 9.842 26.752 1.00 20.68 C ATOM 349 N ASN A 44 4.277 6.417 25.929 1.00 18.70 N ATOM 350 CA ASN A 44 4.654 5.093 25.477 1.00 19.37 C ATOM 351 C ASN A 44 4.590 4.125 26.638 1.00 16.74 C ATOM 352 O ASN A 44 5.259 4.301 27.655 1.00 15.33 O ATOM 353 CB ASN A 44 6.043 5.116 24.831 1.00 22.96 C ATOM 354 CG ASN A 44 6.027 5.714 23.420 1.00 29.79 C ATOM 355 OD1 ASN A 44 6.647 6.755 23.156 1.00 32.11 O ATOM 356 ND2 ASN A 44 5.309 5.061 22.507 1.00 30.92 N ATOM 357 N TYR A 45 3.686 3.163 26.515 1.00 16.18 N ATOM 358 CA TYR A 45 3.502 2.139 27.532 1.00 16.68 C ATOM 359 C TYR A 45 4.548 1.033 27.369 1.00 16.01 C ATOM 360 O TYR A 45 4.853 0.618 26.254 1.00 17.85 O ATOM 361 CB TYR A 45 2.094 1.542 27.418 1.00 16.04 C ATOM 362 CG TYR A 45 1.771 0.523 28.487 1.00 14.25 C ATOM 363 CD1 TYR A 45 1.884 0.827 29.849 1.00 14.01 C ATOM 364 CD2 TYR A 45 1.398 -0.765 28.130 1.00 16.03 C ATOM 365 CE1 TYR A 45 1.625 -0.143 30.828 1.00 15.12 C ATOM 366 CE2 TYR A 45 1.140 -1.734 29.091 1.00 16.37 C ATOM 367 CZ TYR A 45 1.255 -1.427 30.422 1.00 17.35 C ATOM 368 OH TYR A 45 0.999 -2.449 31.307 1.00 17.56 O ATOM 369 N ASN A 46 5.110 0.585 28.482 1.00 14.62 N ATOM 370 CA ASN A 46 6.104 -0.478 28.481 1.00 15.42 C ATOM 371 C ASN A 46 5.403 -1.693 29.089 1.00 14.90 C ATOM 372 O ASN A 46 5.281 -1.816 30.312 1.00 15.31 O ATOM 373 CB ASN A 46 7.307 -0.076 29.343 1.00 16.75 C ATOM 374 CG ASN A 46 8.020 1.153 28.810 1.00 21.88 C ATOM 375 OD1 ASN A 46 8.473 1.168 27.665 1.00 24.68 O ATOM 376 ND2 ASN A 46 8.123 2.193 29.634 1.00 20.04 N ATOM 377 N ALA A 47 4.889 -2.556 28.221 1.00 16.38 N ATOM 378 CA ALA A 47 4.155 -3.759 28.636 1.00 17.23 C ATOM 379 C ALA A 47 4.960 -4.669 29.561 1.00 16.46 C ATOM 380 O ALA A 47 4.395 -5.311 30.453 1.00 16.35 O ATOM 381 CB ALA A 47 3.693 -4.538 27.404 1.00 16.84 C ATOM 382 N GLY A 48 6.277 -4.698 29.347 1.00 17.77 N ATOM 383 CA GLY A 48 7.166 -5.524 30.153 1.00 15.96 C ATOM 384 C GLY A 48 7.218 -5.224 31.640 1.00 16.67 C ATOM 385 O GLY A 48 7.243 -6.151 32.455 1.00 17.03 O ATOM 386 N ASP A 49 7.237 -3.944 32.007 1.00 13.95 N ATOM 387 CA ASP A 49 7.297 -3.606 33.418 1.00 14.45 C ATOM 388 C ASP A 49 6.122 -2.779 33.918 1.00 14.98 C ATOM 389 O ASP A 49 6.133 -2.311 35.053 1.00 15.65 O ATOM 390 CB ASP A 49 8.634 -2.942 33.775 1.00 16.81 C ATOM 391 CG ASP A 49 8.836 -1.593 33.094 1.00 20.74 C ATOM 392 OD1 ASP A 49 7.897 -1.070 32.471 1.00 19.71 O ATOM 393 OD2 ASP A 49 9.953 -1.044 33.186 1.00 26.99 O ATOM 394 N ARG A 50 5.131 -2.578 33.052 1.00 14.82 N ATOM 395 CA ARG A 50 3.925 -1.836 33.392 1.00 16.44 C ATOM 396 C ARG A 50 4.104 -0.343 33.673 1.00 16.13 C ATOM 397 O ARG A 50 3.267 0.274 34.337 1.00 18.59 O ATOM 398 CB ARG A 50 3.207 -2.508 34.566 1.00 19.87 C ATOM 399 CG ARG A 50 2.633 -3.885 34.218 1.00 24.55 C ATOM 400 CD ARG A 50 1.810 -4.451 35.368 1.00 30.38 C ATOM 401 NE ARG A 50 2.496 -5.562 36.026 1.00 36.29 N ATOM 402 CZ ARG A 50 2.156 -6.844 35.887 1.00 37.93 C ATOM 403 NH1 ARG A 50 1.119 -7.187 35.117 1.00 37.63 N ATOM 404 NH2 ARG A 50 2.884 -7.786 36.481 1.00 35.56 N ATOM 405 N SER A 51 5.174 0.248 33.159 1.00 14.62 N ATOM 406 CA SER A 51 5.400 1.670 33.377 1.00 11.92 C ATOM 407 C SER A 51 5.094 2.386 32.061 1.00 10.70 C ATOM 408 O SER A 51 4.975 1.742 31.014 1.00 9.88 O ATOM 409 CB SER A 51 6.848 1.912 33.799 1.00 10.29 C ATOM 410 OG SER A 51 7.725 1.642 32.724 1.00 10.29 O ATOM 411 N THR A 52 4.987 3.712 32.099 1.00 9.08 N ATOM 412 CA THR A 52 4.709 4.480 30.897 1.00 7.02 C ATOM 413 C THR A 52 5.640 5.691 30.872 1.00 8.04 C ATOM 414 O THR A 52 5.974 6.242 31.940 1.00 8.91 O ATOM 415 CB THR A 52 3.260 4.983 30.909 1.00 8.60 C ATOM 416 OG1 THR A 52 2.380 3.864 30.968 1.00 9.44 O ATOM 417 CG2 THR A 52 2.937 5.802 29.674 1.00 8.34 C ATOM 418 N ASP A 53 6.113 6.050 29.675 1.00 8.71 N ATOM 419 CA ASP A 53 6.982 7.217 29.464 1.00 8.97 C ATOM 420 C ASP A 53 6.087 8.368 28.988 1.00 8.89 C ATOM 421 O ASP A 53 5.320 8.213 28.031 1.00 8.46 O ATOM 422 CB ASP A 53 8.035 6.915 28.412 1.00 10.64 C ATOM 423 CG ASP A 53 8.883 5.725 28.774 1.00 13.33 C ATOM 424 OD1 ASP A 53 9.321 5.649 29.937 1.00 13.99 O ATOM 425 OD2 ASP A 53 9.123 4.888 27.886 1.00 16.97 O ATOM 426 N TYR A 54 6.235 9.524 29.633 1.00 9.53 N ATOM 427 CA TYR A 54 5.415 10.706 29.367 1.00 9.20 C ATOM 428 C TYR A 54 6.093 11.962 28.855 1.00 8.29 C ATOM 429 O TYR A 54 7.158 12.358 29.337 1.00 8.26 O ATOM 430 CB TYR A 54 4.702 11.116 30.663 1.00 7.63 C ATOM 431 CG TYR A 54 3.689 10.120 31.164 1.00 9.57 C ATOM 432 CD1 TYR A 54 4.057 9.103 32.053 1.00 9.38 C ATOM 433 CD2 TYR A 54 2.353 10.208 30.777 1.00 8.96 C ATOM 434 CE1 TYR A 54 3.110 8.204 32.549 1.00 8.65 C ATOM 435 CE2 TYR A 54 1.405 9.323 31.270 1.00 9.97 C ATOM 436 CZ TYR A 54 1.786 8.324 32.153 1.00 10.18 C ATOM 437 OH TYR A 54 0.825 7.474 32.650 1.00 9.03 O ATOM 438 N GLY A 55 5.427 12.601 27.901 1.00 9.14 N ATOM 439 CA GLY A 55 5.870 13.880 27.396 1.00 8.92 C ATOM 440 C GLY A 55 7.059 14.003 26.487 1.00 9.37 C ATOM 441 O GLY A 55 7.613 13.032 25.960 1.00 9.16 O ATOM 442 N ILE A 56 7.465 15.255 26.329 1.00 7.48 N ATOM 443 CA ILE A 56 8.565 15.595 25.452 1.00 8.44 C ATOM 444 C ILE A 56 9.899 14.886 25.736 1.00 7.28 C ATOM 445 O ILE A 56 10.658 14.609 24.807 1.00 8.39 O ATOM 446 CB ILE A 56 8.724 17.155 25.355 1.00 8.67 C ATOM 447 CG1 ILE A 56 9.549 17.525 24.131 1.00 8.04 C ATOM 448 CG2 ILE A 56 9.311 17.738 26.640 1.00 6.79 C ATOM 449 CD1 ILE A 56 9.311 18.945 23.691 1.00 11.51 C ATOM 450 N PHE A 57 10.171 14.587 27.009 1.00 7.57 N ATOM 451 CA PHE A 57 11.414 13.914 27.402 1.00 8.00 C ATOM 452 C PHE A 57 11.200 12.445 27.722 1.00 9.18 C ATOM 453 O PHE A 57 12.117 11.761 28.159 1.00 9.04 O ATOM 454 CB PHE A 57 12.025 14.591 28.623 1.00 8.21 C ATOM 455 CG PHE A 57 12.542 15.982 28.353 1.00 11.60 C ATOM 456 CD1 PHE A 57 13.451 16.214 27.315 1.00 12.10 C ATOM 457 CD2 PHE A 57 12.124 17.052 29.139 1.00 13.15 C ATOM 458 CE1 PHE A 57 13.935 17.501 27.057 1.00 13.18 C ATOM 459 CE2 PHE A 57 12.598 18.342 28.893 1.00 14.57 C ATOM 460 CZ PHE A 57 13.507 18.561 27.853 1.00 13.16 C ATOM 461 N GLN A 58 9.968 11.982 27.544 1.00 9.12 N ATOM 462 CA GLN A 58 9.618 10.598 27.828 1.00 9.39 C ATOM 463 C GLN A 58 10.081 10.167 29.215 1.00 8.95 C ATOM 464 O GLN A 58 10.877 9.249 29.368 1.00 11.94 O ATOM 465 CB GLN A 58 10.168 9.700 26.725 1.00 6.93 C ATOM 466 CG GLN A 58 9.408 9.869 25.406 1.00 8.43 C ATOM 467 CD GLN A 58 7.991 9.316 25.479 1.00 11.37 C ATOM 468 OE1 GLN A 58 7.776 8.121 25.292 1.00 12.12 O ATOM 469 NE2 GLN A 58 7.023 10.177 25.803 1.00 9.72 N ATOM 470 N ILE A 59 9.579 10.859 30.224 1.00 8.47 N ATOM 471 CA ILE A 59 9.937 10.575 31.608 1.00 9.52 C ATOM 472 C ILE A 59 9.094 9.423 32.140 1.00 9.31 C ATOM 473 O ILE A 59 7.870 9.413 32.012 1.00 8.61 O ATOM 474 CB ILE A 59 9.854 11.864 32.455 1.00 9.50 C ATOM 475 CG1 ILE A 59 10.955 12.824 31.976 1.00 10.01 C ATOM 476 CG2 ILE A 59 10.032 11.569 33.933 1.00 9.09 C ATOM 477 CD1 ILE A 59 10.848 14.221 32.520 1.00 11.00 C ATOM 478 N ASN A 60 9.772 8.443 32.724 1.00 9.67 N ATOM 479 CA ASN A 60 9.143 7.211 33.215 1.00 10.38 C ATOM 480 C ASN A 60 8.355 7.275 34.534 1.00 9.59 C ATOM 481 O ASN A 60 8.817 7.864 35.523 1.00 10.97 O ATOM 482 CB ASN A 60 10.225 6.135 33.291 1.00 12.86 C ATOM 483 CG ASN A 60 9.662 4.755 33.467 1.00 13.00 C ATOM 484 OD1 ASN A 60 9.595 4.244 34.580 1.00 15.40 O ATOM 485 ND2 ASN A 60 9.289 4.124 32.366 1.00 13.15 N ATOM 486 N SER A 61 7.227 6.563 34.576 1.00 9.19 N ATOM 487 CA SER A 61 6.345 6.553 35.744 1.00 10.28 C ATOM 488 C SER A 61 6.784 5.691 36.912 1.00 12.66 C ATOM 489 O SER A 61 6.146 5.716 37.969 1.00 11.77 O ATOM 490 CB SER A 61 4.943 6.123 35.345 1.00 9.35 C ATOM 491 OG SER A 61 4.990 4.849 34.725 1.00 12.19 O ATOM 492 N ARG A 62 7.834 4.889 36.733 1.00 14.40 N ATOM 493 CA ARG A 62 8.290 4.080 37.852 1.00 17.30 C ATOM 494 C ARG A 62 9.107 4.896 38.844 1.00 17.42 C ATOM 495 O ARG A 62 8.942 4.781 40.062 1.00 17.86 O ATOM 496 CB ARG A 62 9.126 2.883 37.384 1.00 20.64 C ATOM 497 CG ARG A 62 9.817 2.170 38.559 1.00 25.71 C ATOM 498 CD ARG A 62 9.948 0.668 38.349 1.00 30.91 C ATOM 499 NE ARG A 62 8.636 0.024 38.316 1.00 33.33 N ATOM 500 CZ ARG A 62 8.053 -0.425 37.208 1.00 34.99 C ATOM 501 NH1 ARG A 62 8.665 -0.313 36.035 1.00 34.43 N ATOM 502 NH2 ARG A 62 6.848 -0.971 37.277 1.00 36.75 N ATOM 503 N TYR A 63 9.975 5.746 38.309 1.00 16.13 N ATOM 504 CA TYR A 63 10.862 6.517 39.159 1.00 17.17 C ATOM 505 C TYR A 63 10.581 7.986 39.336 1.00 14.71 C ATOM 506 O TYR A 63 10.769 8.526 40.418 1.00 16.22 O ATOM 507 CB TYR A 63 12.295 6.400 38.631 1.00 21.59 C ATOM 508 CG TYR A 63 12.691 5.002 38.247 1.00 27.31 C ATOM 509 CD1 TYR A 63 12.975 4.046 39.225 1.00 31.43 C ATOM 510 CD2 TYR A 63 12.751 4.619 36.909 1.00 30.01 C ATOM 511 CE1 TYR A 63 13.300 2.741 38.872 1.00 32.88 C ATOM 512 CE2 TYR A 63 13.074 3.318 36.549 1.00 32.90 C ATOM 513 CZ TYR A 63 13.351 2.386 37.534 1.00 34.15 C ATOM 514 OH TYR A 63 13.685 1.093 37.178 1.00 38.35 O ATOM 515 N TRP A 64 10.089 8.629 38.289 1.00 12.94 N ATOM 516 CA TRP A 64 9.935 10.071 38.341 1.00 10.97 C ATOM 517 C TRP A 64 8.597 10.731 38.621 1.00 11.14 C ATOM 518 O TRP A 64 8.516 11.613 39.477 1.00 10.98 O ATOM 519 CB TRP A 64 10.584 10.651 37.096 1.00 10.44 C ATOM 520 CG TRP A 64 11.932 10.045 36.865 1.00 10.63 C ATOM 521 CD1 TRP A 64 12.269 9.142 35.906 1.00 11.26 C ATOM 522 CD2 TRP A 64 13.115 10.253 37.656 1.00 11.08 C ATOM 523 NE1 TRP A 64 13.590 8.762 36.051 1.00 12.74 N ATOM 524 CE2 TRP A 64 14.131 9.430 37.118 1.00 12.08 C ATOM 525 CE3 TRP A 64 13.413 11.057 38.766 1.00 13.30 C ATOM 526 CZ2 TRP A 64 15.426 9.382 37.650 1.00 12.96 C ATOM 527 CZ3 TRP A 64 14.701 11.015 39.297 1.00 14.00 C ATOM 528 CH2 TRP A 64 15.693 10.178 38.733 1.00 13.57 C ATOM 529 N CYS A 65 7.562 10.339 37.888 1.00 11.29 N ATOM 530 CA CYS A 65 6.246 10.925 38.089 1.00 9.95 C ATOM 531 C CYS A 65 5.288 9.830 38.469 1.00 11.17 C ATOM 532 O CYS A 65 5.552 8.653 38.228 1.00 11.69 O ATOM 533 CB CYS A 65 5.774 11.631 36.828 1.00 9.63 C ATOM 534 SG CYS A 65 5.483 10.537 35.409 1.00 9.62 S ATOM 535 N ASN A 66 4.182 10.213 39.085 1.00 11.57 N ATOM 536 CA ASN A 66 3.178 9.260 39.526 1.00 11.65 C ATOM 537 C ASN A 66 1.920 9.241 38.660 1.00 11.28 C ATOM 538 O ASN A 66 1.318 10.284 38.390 1.00 9.77 O ATOM 539 CB ASN A 66 2.804 9.570 40.979 1.00 14.26 C ATOM 540 CG ASN A 66 1.799 8.586 41.563 1.00 17.42 C ATOM 541 OD1 ASN A 66 1.878 7.380 41.339 1.00 18.75 O ATOM 542 ND2 ASN A 66 0.859 9.103 42.338 1.00 19.19 N ATOM 543 N ASP A 67 1.571 8.057 38.160 1.00 10.97 N ATOM 544 CA ASP A 67 0.347 7.904 37.382 1.00 9.64 C ATOM 545 C ASP A 67 -0.656 6.986 38.095 1.00 10.36 C ATOM 546 O ASP A 67 -1.737 6.732 37.597 1.00 11.33 O ATOM 547 CB ASP A 67 0.615 7.477 35.922 1.00 9.28 C ATOM 548 CG ASP A 67 1.199 6.073 35.783 1.00 7.23 C ATOM 549 OD1 ASP A 67 1.318 5.326 36.772 1.00 9.28 O ATOM 550 OD2 ASP A 67 1.521 5.714 34.644 1.00 7.94 O ATOM 551 N GLY A 68 -0.306 6.539 39.294 1.00 10.39 N ATOM 552 CA GLY A 68 -1.186 5.681 40.072 1.00 11.77 C ATOM 553 C GLY A 68 -1.311 4.221 39.662 1.00 12.93 C ATOM 554 O GLY A 68 -1.755 3.404 40.465 1.00 14.03 O ATOM 555 N LYS A 69 -0.929 3.877 38.439 1.00 12.61 N ATOM 556 CA LYS A 69 -1.043 2.490 38.001 1.00 13.36 C ATOM 557 C LYS A 69 0.272 1.735 37.791 1.00 15.23 C ATOM 558 O LYS A 69 0.272 0.611 37.299 1.00 17.18 O ATOM 559 CB LYS A 69 -1.890 2.415 36.736 1.00 13.71 C ATOM 560 CG LYS A 69 -1.368 3.199 35.557 1.00 16.79 C ATOM 561 CD LYS A 69 -2.388 3.174 34.452 1.00 19.37 C ATOM 562 CE LYS A 69 -1.892 3.853 33.208 1.00 23.25 C ATOM 563 NZ LYS A 69 -0.932 2.973 32.504 1.00 29.50 N ATOM 564 N THR A 70 1.388 2.345 38.165 1.00 15.45 N ATOM 565 CA THR A 70 2.700 1.724 38.003 1.00 15.62 C ATOM 566 C THR A 70 3.189 1.089 39.317 1.00 17.63 C ATOM 567 O THR A 70 3.268 1.762 40.351 1.00 19.42 O ATOM 568 CB THR A 70 3.727 2.780 37.549 1.00 14.38 C ATOM 569 OG1 THR A 70 3.262 3.402 36.346 1.00 12.31 O ATOM 570 CG2 THR A 70 5.096 2.129 37.296 1.00 13.40 C ATOM 571 N PRO A 71 3.518 -0.215 39.293 1.00 18.99 N ATOM 572 CA PRO A 71 3.992 -0.871 40.513 1.00 20.03 C ATOM 573 C PRO A 71 5.370 -0.338 40.897 1.00 21.59 C ATOM 574 O PRO A 71 6.199 -0.047 40.032 1.00 20.93 O ATOM 575 CB PRO A 71 4.081 -2.343 40.102 1.00 19.61 C ATOM 576 CG PRO A 71 3.150 -2.457 38.934 1.00 20.59 C ATOM 577 CD PRO A 71 3.400 -1.182 38.188 1.00 19.65 C ATOM 578 N GLY A 72 5.587 -0.204 42.201 1.00 22.62 N ATOM 579 CA GLY A 72 6.853 0.281 42.718 1.00 24.40 C ATOM 580 C GLY A 72 7.184 1.710 42.340 1.00 25.15 C ATOM 581 O GLY A 72 8.353 2.036 42.162 1.00 28.05 O ATOM 582 N ALA A 73 6.170 2.558 42.219 1.00 24.00 N ATOM 583 CA ALA A 73 6.378 3.952 41.857 1.00 22.41 C ATOM 584 C ALA A 73 7.077 4.721 42.978 1.00 21.96 C ATOM 585 O ALA A 73 6.691 4.627 44.150 1.00 22.71 O ATOM 586 CB ALA A 73 5.044 4.608 41.502 1.00 21.20 C ATOM 587 N VAL A 74 8.097 5.492 42.608 1.00 20.76 N ATOM 588 CA VAL A 74 8.874 6.290 43.561 1.00 20.12 C ATOM 589 C VAL A 74 8.442 7.764 43.593 1.00 19.22 C ATOM 590 O VAL A 74 8.501 8.407 44.646 1.00 20.65 O ATOM 591 CB VAL A 74 10.383 6.275 43.203 1.00 21.65 C ATOM 592 CG1 VAL A 74 11.184 6.979 44.269 1.00 22.25 C ATOM 593 CG2 VAL A 74 10.883 4.849 42.975 1.00 23.97 C ATOM 594 N ASN A 75 8.050 8.298 42.432 1.00 16.36 N ATOM 595 CA ASN A 75 7.634 9.701 42.275 1.00 15.20 C ATOM 596 C ASN A 75 8.688 10.705 42.779 1.00 14.58 C ATOM 597 O ASN A 75 8.373 11.619 43.552 1.00 13.31 O ATOM 598 CB ASN A 75 6.279 9.973 42.948 1.00 14.75 C ATOM 599 CG ASN A 75 5.666 11.305 42.504 1.00 14.93 C ATOM 600 OD1 ASN A 75 6.045 11.864 41.474 1.00 16.04 O ATOM 601 ND2 ASN A 75 4.719 11.809 43.276 1.00 15.57 N ATOM 602 N ALA A 76 9.923 10.560 42.292 1.00 15.08 N ATOM 603 CA ALA A 76 11.027 11.432 42.715 1.00 15.28 C ATOM 604 C ALA A 76 10.802 12.894 42.373 1.00 14.21 C ATOM 605 O ALA A 76 11.238 13.772 43.110 1.00 16.17 O ATOM 606 CB ALA A 76 12.350 10.940 42.138 1.00 14.90 C ATOM 607 N CYS A 77 10.075 13.168 41.298 1.00 13.74 N ATOM 608 CA CYS A 77 9.804 14.558 40.917 1.00 13.02 C ATOM 609 C CYS A 77 8.627 15.170 41.675 1.00 14.96 C ATOM 610 O CYS A 77 8.382 16.375 41.586 1.00 14.88 O ATOM 611 CB CYS A 77 9.530 14.667 39.421 1.00 10.59 C ATOM 612 SG CYS A 77 11.020 14.418 38.422 1.00 11.17 S ATOM 613 N HIS A 78 7.899 14.329 42.413 1.00 15.97 N ATOM 614 CA HIS A 78 6.727 14.763 43.171 1.00 17.10 C ATOM 615 C HIS A 78 5.770 15.496 42.242 1.00 16.61 C ATOM 616 O HIS A 78 5.315 16.600 42.514 1.00 17.17 O ATOM 617 CB HIS A 78 7.144 15.578 44.396 1.00 19.11 C ATOM 618 CG HIS A 78 7.915 14.768 45.389 1.00 25.67 C ATOM 619 ND1 HIS A 78 9.281 14.582 45.304 1.00 28.43 N ATOM 620 CD2 HIS A 78 7.495 13.977 46.405 1.00 27.93 C ATOM 621 CE1 HIS A 78 9.666 13.706 46.217 1.00 29.63 C ATOM 622 NE2 HIS A 78 8.602 13.324 46.896 1.00 29.72 N ATOM 623 N LEU A 79 5.464 14.815 41.142 1.00 15.87 N ATOM 624 CA LEU A 79 4.605 15.316 40.088 1.00 15.16 C ATOM 625 C LEU A 79 3.672 14.235 39.562 1.00 13.42 C ATOM 626 O LEU A 79 4.032 13.067 39.499 1.00 14.04 O ATOM 627 CB LEU A 79 5.460 15.765 38.896 1.00 15.17 C ATOM 628 CG LEU A 79 5.911 17.208 38.727 1.00 18.76 C ATOM 629 CD1 LEU A 79 6.569 17.307 37.368 1.00 18.96 C ATOM 630 CD2 LEU A 79 4.725 18.163 38.809 1.00 16.94 C ATOM 631 N SER A 80 2.467 14.649 39.187 1.00 12.48 N ATOM 632 CA SER A 80 1.501 13.763 38.566 1.00 10.60 C ATOM 633 C SER A 80 2.048 13.658 37.146 1.00 10.38 C ATOM 634 O SER A 80 2.473 14.667 36.576 1.00 10.91 O ATOM 635 CB SER A 80 0.129 14.448 38.503 1.00 10.11 C ATOM 636 OG SER A 80 -0.720 13.802 37.566 1.00 11.01 O ATOM 637 N CYS A 81 2.032 12.471 36.554 1.00 10.07 N ATOM 638 CA CYS A 81 2.526 12.328 35.197 1.00 9.77 C ATOM 639 C CYS A 81 1.717 13.170 34.226 1.00 9.26 C ATOM 640 O CYS A 81 2.172 13.488 33.132 1.00 9.12 O ATOM 641 CB CYS A 81 2.503 10.860 34.772 1.00 9.99 C ATOM 642 SG CYS A 81 3.615 9.799 35.755 1.00 10.37 S ATOM 643 N SER A 82 0.507 13.527 34.634 1.00 10.05 N ATOM 644 CA SER A 82 -0.362 14.370 33.830 1.00 10.76 C ATOM 645 C SER A 82 0.314 15.730 33.549 1.00 9.33 C ATOM 646 O SER A 82 0.107 16.325 32.481 1.00 11.34 O ATOM 647 CB SER A 82 -1.690 14.575 34.582 1.00 12.69 C ATOM 648 OG SER A 82 -2.576 15.452 33.895 1.00 21.96 O ATOM 649 N ALA A 83 1.122 16.216 34.495 1.00 9.21 N ATOM 650 CA ALA A 83 1.825 17.502 34.345 1.00 8.58 C ATOM 651 C ALA A 83 2.803 17.483 33.172 1.00 9.49 C ATOM 652 O ALA A 83 3.136 18.516 32.605 1.00 10.52 O ATOM 653 CB ALA A 83 2.560 17.862 35.643 1.00 7.52 C ATOM 654 N LEU A 84 3.218 16.285 32.788 1.00 9.39 N ATOM 655 CA LEU A 84 4.159 16.103 31.688 1.00 10.08 C ATOM 656 C LEU A 84 3.499 15.989 30.309 1.00 10.31 C ATOM 657 O LEU A 84 4.178 15.711 29.317 1.00 11.68 O ATOM 658 CB LEU A 84 5.067 14.888 31.968 1.00 10.59 C ATOM 659 CG LEU A 84 5.715 14.873 33.355 1.00 12.03 C ATOM 660 CD1 LEU A 84 6.622 13.658 33.496 1.00 14.41 C ATOM 661 CD2 LEU A 84 6.506 16.146 33.585 1.00 13.83 C ATOM 662 N LEU A 85 2.182 16.188 30.241 1.00 8.69 N ATOM 663 CA LEU A 85 1.462 16.143 28.966 1.00 9.80 C ATOM 664 C LEU A 85 0.894 17.533 28.600 1.00 10.98 C ATOM 665 O LEU A 85 0.099 17.675 27.666 1.00 11.23 O ATOM 666 CB LEU A 85 0.344 15.087 29.000 1.00 9.65 C ATOM 667 CG LEU A 85 0.814 13.640 29.204 1.00 11.49 C ATOM 668 CD1 LEU A 85 -0.388 12.713 29.324 1.00 11.69 C ATOM 669 CD2 LEU A 85 1.700 13.226 28.035 1.00 10.42 C ATOM 670 N GLN A 86 1.324 18.556 29.335 1.00 11.32 N ATOM 671 CA GLN A 86 0.881 19.931 29.091 1.00 12.05 C ATOM 672 C GLN A 86 1.610 20.547 27.899 1.00 12.50 C ATOM 673 O GLN A 86 2.626 20.024 27.447 1.00 13.43 O ATOM 674 CB GLN A 86 1.154 20.782 30.324 1.00 12.81 C ATOM 675 CG GLN A 86 0.451 20.269 31.550 1.00 17.85 C ATOM 676 CD GLN A 86 0.722 21.117 32.775 1.00 22.38 C ATOM 677 OE1 GLN A 86 -0.036 22.043 33.085 1.00 26.38 O ATOM 678 NE2 GLN A 86 1.801 20.809 33.483 1.00 24.36 N ATOM 679 N ASP A 87 1.051 21.621 27.342 1.00 10.56 N ATOM 680 CA ASP A 87 1.699 22.316 26.225 1.00 10.92 C ATOM 681 C ASP A 87 2.864 23.120 26.809 1.00 11.29 C ATOM 682 O ASP A 87 3.866 23.335 26.146 1.00 11.81 O ATOM 683 CB ASP A 87 0.719 23.259 25.512 1.00 12.90 C ATOM 684 CG ASP A 87 -0.200 22.536 24.518 1.00 14.45 C ATOM 685 OD1 ASP A 87 -0.059 21.312 24.317 1.00 16.31 O ATOM 686 OD2 ASP A 87 -1.072 23.201 23.926 1.00 14.66 O ATOM 687 N ASN A 88 2.683 23.586 28.042 1.00 11.92 N ATOM 688 CA ASN A 88 3.694 24.335 28.788 1.00 14.02 C ATOM 689 C ASN A 88 4.646 23.285 29.364 1.00 13.29 C ATOM 690 O ASN A 88 4.224 22.440 30.151 1.00 14.19 O ATOM 691 CB ASN A 88 3.041 25.094 29.942 1.00 17.09 C ATOM 692 CG ASN A 88 4.037 25.932 30.725 1.00 22.42 C ATOM 693 OD1 ASN A 88 4.847 25.408 31.478 1.00 25.63 O ATOM 694 ND2 ASN A 88 3.991 27.246 30.532 1.00 24.38 N ATOM 695 N ILE A 89 5.928 23.371 29.022 1.00 11.24 N ATOM 696 CA ILE A 89 6.891 22.384 29.499 1.00 10.83 C ATOM 697 C ILE A 89 7.661 22.737 30.777 1.00 10.70 C ATOM 698 O ILE A 89 8.611 22.045 31.132 1.00 10.23 O ATOM 699 CB ILE A 89 7.888 21.997 28.382 1.00 11.18 C ATOM 700 CG1 ILE A 89 8.779 23.195 28.020 1.00 10.78 C ATOM 701 CG2 ILE A 89 7.120 21.469 27.157 1.00 10.81 C ATOM 702 CD1 ILE A 89 9.952 22.843 27.103 1.00 10.45 C ATOM 703 N ALA A 90 7.232 23.762 31.503 1.00 8.94 N ATOM 704 CA ALA A 90 7.938 24.141 32.727 1.00 8.93 C ATOM 705 C ALA A 90 8.087 22.981 33.718 1.00 9.86 C ATOM 706 O ALA A 90 9.158 22.779 34.288 1.00 9.38 O ATOM 707 CB ALA A 90 7.253 25.346 33.402 1.00 8.75 C ATOM 708 N ASP A 91 7.028 22.194 33.899 1.00 10.13 N ATOM 709 CA ASP A 91 7.091 21.061 34.824 1.00 9.50 C ATOM 710 C ASP A 91 7.982 19.926 34.337 1.00 8.21 C ATOM 711 O ASP A 91 8.710 19.309 35.128 1.00 8.11 O ATOM 712 CB ASP A 91 5.688 20.552 35.135 1.00 12.41 C ATOM 713 CG ASP A 91 4.890 21.540 35.972 1.00 16.63 C ATOM 714 OD1 ASP A 91 5.445 22.083 36.952 1.00 17.05 O ATOM 715 OD2 ASP A 91 3.709 21.777 35.646 1.00 21.71 O ATOM 716 N ALA A 92 7.916 19.651 33.036 1.00 9.76 N ATOM 717 CA ALA A 92 8.743 18.613 32.418 1.00 9.03 C ATOM 718 C ALA A 92 10.214 18.987 32.601 1.00 9.95 C ATOM 719 O ALA A 92 11.041 18.135 32.928 1.00 10.59 O ATOM 720 CB ALA A 92 8.418 18.469 30.936 1.00 8.98 C ATOM 721 N VAL A 93 10.529 20.264 32.376 1.00 9.44 N ATOM 722 CA VAL A 93 11.883 20.765 32.549 1.00 7.86 C ATOM 723 C VAL A 93 12.344 20.622 34.010 1.00 8.43 C ATOM 724 O VAL A 93 13.470 20.183 34.264 1.00 10.38 O ATOM 725 CB VAL A 93 11.976 22.245 32.080 1.00 7.19 C ATOM 726 CG1 VAL A 93 13.176 22.938 32.687 1.00 7.07 C ATOM 727 CG2 VAL A 93 12.064 22.278 30.561 1.00 8.43 C ATOM 728 N ALA A 94 11.492 20.966 34.976 1.00 7.62 N ATOM 729 CA ALA A 94 11.875 20.842 36.379 1.00 7.29 C ATOM 730 C ALA A 94 12.177 19.385 36.726 1.00 8.04 C ATOM 731 O ALA A 94 13.118 19.095 37.468 1.00 10.18 O ATOM 732 CB ALA A 94 10.785 21.379 37.284 1.00 8.25 C ATOM 733 N CYS A 95 11.403 18.461 36.164 1.00 8.25 N ATOM 734 CA CYS A 95 11.610 17.045 36.437 1.00 8.82 C ATOM 735 C CYS A 95 12.855 16.511 35.722 1.00 8.61 C ATOM 736 O CYS A 95 13.618 15.724 36.298 1.00 8.66 O ATOM 737 CB CYS A 95 10.358 16.261 36.052 1.00 9.81 C ATOM 738 SG CYS A 95 10.356 14.492 36.512 1.00 10.04 S ATOM 739 N ALA A 96 13.078 16.958 34.486 1.00 8.87 N ATOM 740 CA ALA A 96 14.260 16.545 33.730 1.00 7.76 C ATOM 741 C ALA A 96 15.520 16.991 34.496 1.00 9.20 C ATOM 742 O ALA A 96 16.523 16.271 34.521 1.00 8.98 O ATOM 743 CB ALA A 96 14.236 17.146 32.321 1.00 9.06 C ATOM 744 N LYS A 97 15.474 18.170 35.116 1.00 7.86 N ATOM 745 CA LYS A 97 16.604 18.663 35.908 1.00 8.52 C ATOM 746 C LYS A 97 16.825 17.732 37.114 1.00 10.05 C ATOM 747 O LYS A 97 17.967 17.463 37.510 1.00 10.18 O ATOM 748 CB LYS A 97 16.350 20.095 36.391 1.00 8.77 C ATOM 749 CG LYS A 97 16.476 21.139 35.295 1.00 9.15 C ATOM 750 CD LYS A 97 16.073 22.509 35.812 1.00 9.22 C ATOM 751 CE LYS A 97 16.260 23.571 34.744 1.00 10.36 C ATOM 752 NZ LYS A 97 15.871 24.917 35.268 1.00 11.89 N ATOM 753 N ARG A 98 15.735 17.262 37.716 1.00 9.47 N ATOM 754 CA ARG A 98 15.832 16.334 38.837 1.00 9.65 C ATOM 755 C ARG A 98 16.502 15.032 38.378 1.00 8.61 C ATOM 756 O ARG A 98 17.394 14.520 39.052 1.00 9.65 O ATOM 757 CB ARG A 98 14.438 16.052 39.411 1.00 9.60 C ATOM 758 CG ARG A 98 14.383 14.938 40.450 1.00 10.38 C ATOM 759 CD ARG A 98 15.273 15.220 41.655 1.00 12.62 C ATOM 760 NE ARG A 98 15.314 14.096 42.593 1.00 14.93 N ATOM 761 CZ ARG A 98 16.110 13.036 42.473 1.00 15.48 C ATOM 762 NH1 ARG A 98 16.943 12.917 41.442 1.00 16.59 N ATOM 763 NH2 ARG A 98 16.065 12.080 43.389 1.00 18.84 N ATOM 764 N VAL A 99 16.066 14.505 37.235 1.00 9.43 N ATOM 765 CA VAL A 99 16.631 13.278 36.685 1.00 10.68 C ATOM 766 C VAL A 99 18.151 13.353 36.567 1.00 11.66 C ATOM 767 O VAL A 99 18.857 12.461 37.038 1.00 10.98 O ATOM 768 CB VAL A 99 16.070 12.961 35.289 1.00 10.83 C ATOM 769 CG1 VAL A 99 16.802 11.738 34.706 1.00 11.36 C ATOM 770 CG2 VAL A 99 14.559 12.719 35.355 1.00 9.77 C ATOM 771 N VAL A 100 18.654 14.426 35.962 1.00 10.38 N ATOM 772 CA VAL A 100 20.088 14.563 35.784 1.00 11.28 C ATOM 773 C VAL A 100 20.887 14.925 37.034 1.00 13.49 C ATOM 774 O VAL A 100 22.104 15.025 36.974 1.00 14.77 O ATOM 775 CB VAL A 100 20.441 15.477 34.588 1.00 9.58 C ATOM 776 CG1 VAL A 100 19.750 14.951 33.339 1.00 10.96 C ATOM 777 CG2 VAL A 100 20.055 16.926 34.865 1.00 11.51 C ATOM 778 N ARG A 101 20.222 15.119 38.163 1.00 14.24 N ATOM 779 CA ARG A 101 20.954 15.406 39.379 1.00 15.55 C ATOM 780 C ARG A 101 21.457 14.095 39.992 1.00 17.82 C ATOM 781 O ARG A 101 22.199 14.090 40.973 1.00 19.94 O ATOM 782 CB ARG A 101 20.125 16.242 40.354 1.00 16.44 C ATOM 783 CG ARG A 101 19.995 17.685 39.874 1.00 17.27 C ATOM 784 CD ARG A 101 19.723 18.645 41.003 1.00 17.63 C ATOM 785 NE ARG A 101 18.444 18.369 41.644 1.00 19.75 N ATOM 786 CZ ARG A 101 17.283 18.861 41.230 1.00 20.43 C ATOM 787 NH1 ARG A 101 17.234 19.660 40.169 1.00 19.48 N ATOM 788 NH2 ARG A 101 16.162 18.531 41.865 1.00 22.49 N ATOM 789 N ASP A 102 21.044 12.976 39.412 1.00 17.32 N ATOM 790 CA ASP A 102 21.515 11.669 39.851 1.00 18.59 C ATOM 791 C ASP A 102 22.853 11.499 39.129 1.00 18.77 C ATOM 792 O ASP A 102 23.050 12.083 38.062 1.00 16.93 O ATOM 793 CB ASP A 102 20.566 10.571 39.370 1.00 21.44 C ATOM 794 CG ASP A 102 19.420 10.319 40.322 1.00 24.11 C ATOM 795 OD1 ASP A 102 19.243 11.089 41.293 1.00 24.57 O ATOM 796 OD2 ASP A 102 18.707 9.320 40.093 1.00 27.37 O ATOM 797 N PRO A 103 23.756 10.649 39.658 1.00 19.73 N ATOM 798 CA PRO A 103 25.088 10.377 39.091 1.00 19.77 C ATOM 799 C PRO A 103 25.139 10.159 37.579 1.00 19.76 C ATOM 800 O PRO A 103 26.035 10.678 36.900 1.00 20.11 O ATOM 801 CB PRO A 103 25.510 9.106 39.820 1.00 20.69 C ATOM 802 CG PRO A 103 24.934 9.314 41.175 1.00 21.59 C ATOM 803 CD PRO A 103 23.536 9.830 40.865 1.00 20.47 C ATOM 804 N GLN A 104 24.203 9.360 37.073 1.00 18.69 N ATOM 805 CA GLN A 104 24.123 9.038 35.647 1.00 19.68 C ATOM 806 C GLN A 104 23.956 10.239 34.730 1.00 17.41 C ATOM 807 O GLN A 104 24.306 10.182 33.546 1.00 16.05 O ATOM 808 CB GLN A 104 22.948 8.107 35.378 1.00 23.43 C ATOM 809 CG GLN A 104 23.259 6.640 35.405 1.00 29.51 C ATOM 810 CD GLN A 104 22.215 5.841 34.645 1.00 33.01 C ATOM 811 OE1 GLN A 104 21.032 5.854 34.997 1.00 36.02 O ATOM 812 NE2 GLN A 104 22.640 5.168 33.583 1.00 35.42 N ATOM 813 N GLY A 105 23.311 11.279 35.236 1.00 14.44 N ATOM 814 CA GLY A 105 23.107 12.447 34.405 1.00 14.25 C ATOM 815 C GLY A 105 22.181 12.118 33.250 1.00 11.86 C ATOM 816 O GLY A 105 21.213 11.373 33.421 1.00 13.19 O ATOM 817 N ILE A 106 22.511 12.616 32.062 1.00 12.19 N ATOM 818 CA ILE A 106 21.672 12.413 30.871 1.00 12.78 C ATOM 819 C ILE A 106 21.739 10.997 30.296 1.00 13.75 C ATOM 820 O ILE A 106 20.932 10.615 29.446 1.00 12.40 O ATOM 821 CB ILE A 106 21.994 13.461 29.789 1.00 14.09 C ATOM 822 CG1 ILE A 106 20.855 13.544 28.775 1.00 13.70 C ATOM 823 CG2 ILE A 106 23.339 13.165 29.141 1.00 14.96 C ATOM 824 CD1 ILE A 106 20.866 14.811 27.957 1.00 15.52 C ATOM 825 N ARG A 107 22.701 10.223 30.798 1.00 15.29 N ATOM 826 CA ARG A 107 22.915 8.830 30.412 1.00 17.31 C ATOM 827 C ARG A 107 21.707 8.003 30.858 1.00 16.82 C ATOM 828 O ARG A 107 21.518 6.884 30.406 1.00 17.32 O ATOM 829 CB ARG A 107 24.181 8.304 31.107 1.00 19.47 C ATOM 830 CG ARG A 107 25.300 7.909 30.171 1.00 25.84 C ATOM 831 CD ARG A 107 26.673 8.339 30.680 1.00 28.58 C ATOM 832 NE ARG A 107 26.925 9.752 30.396 1.00 35.06 N ATOM 833 CZ ARG A 107 28.023 10.234 29.812 1.00 36.33 C ATOM 834 NH1 ARG A 107 29.010 9.419 29.444 1.00 36.04 N ATOM 835 NH2 ARG A 107 28.107 11.538 29.549 1.00 36.42 N ATOM 836 N ALA A 108 20.901 8.562 31.758 1.00 16.73 N ATOM 837 CA ALA A 108 19.713 7.884 32.255 1.00 17.08 C ATOM 838 C ALA A 108 18.794 7.485 31.103 1.00 16.83 C ATOM 839 O ALA A 108 18.103 6.468 31.176 1.00 20.01 O ATOM 840 CB ALA A 108 18.972 8.788 33.232 1.00 17.25 C ATOM 841 N TRP A 109 18.786 8.279 30.036 1.00 15.25 N ATOM 842 CA TRP A 109 17.945 7.997 28.879 1.00 13.71 C ATOM 843 C TRP A 109 18.758 7.212 27.871 1.00 13.52 C ATOM 844 O TRP A 109 19.675 7.745 27.263 1.00 13.43 O ATOM 845 CB TRP A 109 17.462 9.303 28.231 1.00 12.50 C ATOM 846 CG TRP A 109 16.364 10.013 28.962 1.00 10.96 C ATOM 847 CD1 TRP A 109 15.018 9.776 28.851 1.00 11.32 C ATOM 848 CD2 TRP A 109 16.495 11.150 29.836 1.00 10.39 C ATOM 849 NE1 TRP A 109 14.309 10.705 29.583 1.00 11.28 N ATOM 850 CE2 TRP A 109 15.187 11.556 30.196 1.00 10.93 C ATOM 851 CE3 TRP A 109 17.597 11.867 30.338 1.00 11.04 C ATOM 852 CZ2 TRP A 109 14.944 12.651 31.035 1.00 9.73 C ATOM 853 CZ3 TRP A 109 17.356 12.957 31.172 1.00 10.28 C ATOM 854 CH2 TRP A 109 16.037 13.336 31.510 1.00 11.57 C ATOM 855 N VAL A 110 18.382 5.962 27.636 1.00 15.37 N ATOM 856 CA VAL A 110 19.120 5.123 26.695 1.00 17.15 C ATOM 857 C VAL A 110 19.184 5.715 25.305 1.00 15.79 C ATOM 858 O VAL A 110 20.205 5.582 24.611 1.00 15.19 O ATOM 859 CB VAL A 110 18.526 3.711 26.566 1.00 18.81 C ATOM 860 CG1 VAL A 110 19.485 2.833 25.776 1.00 19.41 C ATOM 861 CG2 VAL A 110 18.266 3.127 27.930 1.00 20.93 C ATOM 862 N ALA A 111 18.094 6.344 24.880 1.00 13.96 N ATOM 863 CA ALA A 111 18.059 6.962 23.562 1.00 14.35 C ATOM 864 C ALA A 111 19.196 7.975 23.390 1.00 13.64 C ATOM 865 O ALA A 111 19.715 8.130 22.285 1.00 13.33 O ATOM 866 CB ALA A 111 16.710 7.630 23.311 1.00 15.95 C ATOM 867 N TRP A 112 19.570 8.668 24.467 1.00 13.16 N ATOM 868 CA TRP A 112 20.660 9.638 24.384 1.00 12.32 C ATOM 869 C TRP A 112 21.983 8.914 24.036 1.00 12.24 C ATOM 870 O TRP A 112 22.757 9.375 23.190 1.00 10.81 O ATOM 871 CB TRP A 112 20.811 10.426 25.694 1.00 11.84 C ATOM 872 CG TRP A 112 21.889 11.487 25.590 1.00 13.33 C ATOM 873 CD1 TRP A 112 21.763 12.737 25.035 1.00 13.00 C ATOM 874 CD2 TRP A 112 23.272 11.356 25.969 1.00 13.56 C ATOM 875 NE1 TRP A 112 22.978 13.377 25.034 1.00 13.40 N ATOM 876 CE2 TRP A 112 23.923 12.561 25.603 1.00 15.05 C ATOM 877 CE3 TRP A 112 24.024 10.338 26.579 1.00 14.26 C ATOM 878 CZ2 TRP A 112 25.292 12.779 25.826 1.00 13.60 C ATOM 879 CZ3 TRP A 112 25.387 10.554 26.799 1.00 14.57 C ATOM 880 CH2 TRP A 112 26.004 11.769 26.422 1.00 15.17 C ATOM 881 N ARG A 113 22.221 7.763 24.656 1.00 13.06 N ATOM 882 CA ARG A 113 23.441 7.012 24.380 1.00 14.14 C ATOM 883 C ARG A 113 23.465 6.482 22.955 1.00 14.20 C ATOM 884 O ARG A 113 24.500 6.511 22.295 1.00 13.88 O ATOM 885 CB ARG A 113 23.593 5.857 25.372 1.00 17.33 C ATOM 886 CG ARG A 113 24.029 6.301 26.753 1.00 21.84 C ATOM 887 CD ARG A 113 23.080 5.830 27.817 1.00 27.45 C ATOM 888 NE ARG A 113 23.049 4.378 27.941 1.00 31.35 N ATOM 889 CZ ARG A 113 22.806 3.730 29.078 1.00 34.27 C ATOM 890 NH1 ARG A 113 22.581 4.408 30.193 1.00 35.17 N ATOM 891 NH2 ARG A 113 22.781 2.402 29.099 1.00 35.18 N ATOM 892 N ASN A 114 22.317 6.013 22.474 1.00 15.79 N ATOM 893 CA ASN A 114 22.227 5.460 21.125 1.00 15.79 C ATOM 894 C ASN A 114 22.352 6.499 20.034 1.00 16.64 C ATOM 895 O ASN A 114 22.998 6.250 19.020 1.00 17.22 O ATOM 896 CB ASN A 114 20.899 4.731 20.901 1.00 16.34 C ATOM 897 CG ASN A 114 20.670 3.588 21.873 1.00 19.71 C ATOM 898 OD1 ASN A 114 21.571 3.145 22.574 1.00 20.33 O ATOM 899 ND2 ASN A 114 19.430 3.120 21.930 1.00 24.58 N ATOM 900 N ARG A 115 21.711 7.656 20.199 1.00 16.15 N ATOM 901 CA ARG A 115 21.786 8.643 19.129 1.00 16.82 C ATOM 902 C ARG A 115 22.396 10.003 19.322 1.00 14.90 C ATOM 903 O ARG A 115 22.435 10.774 18.362 1.00 16.42 O ATOM 904 CB ARG A 115 20.451 8.823 18.423 1.00 19.58 C ATOM 905 CG ARG A 115 19.235 8.571 19.250 1.00 22.73 C ATOM 906 CD ARG A 115 18.525 7.336 18.720 1.00 24.53 C ATOM 907 NE ARG A 115 18.486 7.307 17.258 1.00 26.30 N ATOM 908 CZ ARG A 115 17.783 6.432 16.542 1.00 27.36 C ATOM 909 NH1 ARG A 115 17.026 5.525 17.146 1.00 30.41 N ATOM 910 NH2 ARG A 115 17.818 6.479 15.217 1.00 26.12 N ATOM 911 N CYS A 116 22.915 10.301 20.506 1.00 13.65 N ATOM 912 CA CYS A 116 23.506 11.622 20.728 1.00 12.45 C ATOM 913 C CYS A 116 24.942 11.556 21.219 1.00 13.32 C ATOM 914 O CYS A 116 25.796 12.324 20.776 1.00 13.39 O ATOM 915 CB CYS A 116 22.679 12.422 21.738 1.00 10.50 C ATOM 916 SG CYS A 116 20.896 12.494 21.370 1.00 11.57 S ATOM 917 N GLN A 117 25.189 10.664 22.173 1.00 14.16 N ATOM 918 CA GLN A 117 26.515 10.515 22.751 1.00 15.98 C ATOM 919 C GLN A 117 27.590 10.312 21.698 1.00 17.55 C ATOM 920 O GLN A 117 27.410 9.542 20.759 1.00 16.73 O ATOM 921 CB GLN A 117 26.532 9.354 23.739 1.00 16.78 C ATOM 922 CG GLN A 117 27.895 9.102 24.363 1.00 18.32 C ATOM 923 CD GLN A 117 27.842 8.151 25.533 1.00 20.86 C ATOM 924 OE1 GLN A 117 28.573 8.312 26.507 1.00 26.80 O ATOM 925 NE2 GLN A 117 26.979 7.162 25.453 1.00 22.55 N ATOM 926 N ASN A 118 28.684 11.057 21.831 1.00 18.36 N ATOM 927 CA ASN A 118 29.826 10.952 20.923 1.00 21.30 C ATOM 928 C ASN A 118 29.513 11.261 19.471 1.00 21.79 C ATOM 929 O ASN A 118 30.213 10.803 18.562 1.00 24.37 O ATOM 930 CB ASN A 118 30.480 9.573 21.040 1.00 25.26 C ATOM 931 CG ASN A 118 30.921 9.258 22.456 1.00 28.23 C ATOM 932 OD1 ASN A 118 31.171 10.163 23.254 1.00 31.15 O ATOM 933 ND2 ASN A 118 30.985 7.973 22.789 1.00 31.03 N ATOM 934 N ARG A 119 28.480 12.062 19.249 1.00 19.74 N ATOM 935 CA ARG A 119 28.107 12.450 17.906 1.00 20.22 C ATOM 936 C ARG A 119 28.129 13.969 17.814 1.00 21.20 C ATOM 937 O ARG A 119 28.244 14.666 18.822 1.00 20.45 O ATOM 938 CB ARG A 119 26.707 11.946 17.557 1.00 19.33 C ATOM 939 CG ARG A 119 26.536 10.455 17.648 1.00 18.80 C ATOM 940 CD ARG A 119 25.237 10.096 16.996 1.00 22.11 C ATOM 941 NE ARG A 119 24.865 8.692 17.142 1.00 23.33 N ATOM 942 CZ ARG A 119 24.524 7.908 16.124 1.00 23.17 C ATOM 943 NH1 ARG A 119 24.581 8.370 14.887 1.00 23.82 N ATOM 944 NH2 ARG A 119 24.180 6.650 16.340 1.00 24.83 N ATOM 945 N ASP A 120 28.037 14.471 16.593 1.00 23.19 N ATOM 946 CA ASP A 120 28.014 15.904 16.341 1.00 24.11 C ATOM 947 C ASP A 120 26.561 16.325 16.537 1.00 23.39 C ATOM 948 O ASP A 120 25.704 16.007 15.708 1.00 23.93 O ATOM 949 CB ASP A 120 28.458 16.171 14.896 1.00 25.95 C ATOM 950 CG ASP A 120 28.679 17.643 14.607 1.00 28.26 C ATOM 951 OD1 ASP A 120 28.548 18.474 15.534 1.00 29.21 O ATOM 952 OD2 ASP A 120 28.981 17.963 13.436 1.00 30.36 O ATOM 953 N VAL A 121 26.275 17.019 17.634 1.00 22.04 N ATOM 954 CA VAL A 121 24.906 17.440 17.914 1.00 21.67 C ATOM 955 C VAL A 121 24.632 18.918 17.657 1.00 22.27 C ATOM 956 O VAL A 121 23.523 19.385 17.895 1.00 19.59 O ATOM 957 CB VAL A 121 24.473 17.068 19.374 1.00 21.39 C ATOM 958 CG1 VAL A 121 24.464 15.554 19.552 1.00 18.65 C ATOM 959 CG2 VAL A 121 25.399 17.709 20.405 1.00 20.88 C ATOM 960 N ARG A 122 25.604 19.631 17.086 1.00 23.96 N ATOM 961 CA ARG A 122 25.450 21.070 16.818 1.00 25.30 C ATOM 962 C ARG A 122 24.252 21.391 15.946 1.00 24.05 C ATOM 963 O ARG A 122 23.584 22.411 16.132 1.00 23.24 O ATOM 964 CB ARG A 122 26.706 21.641 16.167 1.00 28.86 C ATOM 965 CG ARG A 122 27.897 21.669 17.097 1.00 35.77 C ATOM 966 CD ARG A 122 29.178 22.105 16.379 1.00 43.07 C ATOM 967 NE ARG A 122 29.570 21.201 15.291 1.00 47.99 N ATOM 968 CZ ARG A 122 30.774 21.192 14.717 1.00 50.26 C ATOM 969 NH1 ARG A 122 31.719 22.030 15.131 1.00 52.73 N ATOM 970 NH2 ARG A 122 31.041 20.339 13.734 1.00 50.90 N ATOM 971 N GLN A 123 23.970 20.492 15.015 1.00 23.32 N ATOM 972 CA GLN A 123 22.865 20.645 14.077 1.00 24.43 C ATOM 973 C GLN A 123 21.513 20.945 14.725 1.00 23.20 C ATOM 974 O GLN A 123 20.671 21.613 14.126 1.00 24.45 O ATOM 975 CB GLN A 123 22.737 19.386 13.219 1.00 27.58 C ATOM 976 CG GLN A 123 22.357 18.151 14.020 1.00 32.13 C ATOM 977 CD GLN A 123 22.251 16.904 13.177 1.00 34.28 C ATOM 978 OE1 GLN A 123 21.422 16.814 12.271 1.00 36.06 O ATOM 979 NE2 GLN A 123 23.094 15.921 13.479 1.00 36.86 N ATOM 980 N TYR A 124 21.314 20.475 15.952 1.00 21.23 N ATOM 981 CA TYR A 124 20.040 20.682 16.631 1.00 19.51 C ATOM 982 C TYR A 124 19.760 22.128 17.051 1.00 18.45 C ATOM 983 O TYR A 124 18.599 22.511 17.158 1.00 18.64 O ATOM 984 CB TYR A 124 19.897 19.718 17.823 1.00 17.44 C ATOM 985 CG TYR A 124 19.953 18.249 17.427 1.00 18.91 C ATOM 986 CD1 TYR A 124 18.845 17.615 16.871 1.00 19.73 C ATOM 987 CD2 TYR A 124 21.127 17.505 17.570 1.00 18.51 C ATOM 988 CE1 TYR A 124 18.903 16.275 16.468 1.00 20.36 C ATOM 989 CE2 TYR A 124 21.195 16.164 17.169 1.00 17.89 C ATOM 990 CZ TYR A 124 20.082 15.564 16.614 1.00 18.99 C ATOM 991 OH TYR A 124 20.145 14.259 16.174 1.00 21.03 O ATOM 992 N VAL A 125 20.799 22.927 17.287 1.00 17.20 N ATOM 993 CA VAL A 125 20.593 24.326 17.694 1.00 17.84 C ATOM 994 C VAL A 125 21.085 25.357 16.682 1.00 18.95 C ATOM 995 O VAL A 125 21.049 26.562 16.950 1.00 18.03 O ATOM 996 CB VAL A 125 21.283 24.660 19.033 1.00 16.05 C ATOM 997 CG1 VAL A 125 20.722 23.811 20.161 1.00 16.49 C ATOM 998 CG2 VAL A 125 22.783 24.483 18.905 1.00 18.85 C ATOM 999 N GLN A 126 21.594 24.898 15.550 1.00 20.55 N ATOM 1000 CA GLN A 126 22.104 25.837 14.564 1.00 24.39 C ATOM 1001 C GLN A 126 21.007 26.661 13.904 1.00 22.51 C ATOM 1002 O GLN A 126 20.016 26.121 13.417 1.00 23.22 O ATOM 1003 CB GLN A 126 22.989 25.139 13.516 1.00 29.18 C ATOM 1004 CG GLN A 126 24.294 24.501 14.077 1.00 37.10 C ATOM 1005 CD GLN A 126 25.086 25.402 15.042 1.00 41.33 C ATOM 1006 OE1 GLN A 126 26.003 26.129 14.639 1.00 44.88 O ATOM 1007 NE2 GLN A 126 24.760 25.314 16.327 1.00 42.36 N ATOM 1008 N GLY A 127 21.201 27.979 13.914 1.00 20.80 N ATOM 1009 CA GLY A 127 20.241 28.892 13.319 1.00 18.98 C ATOM 1010 C GLY A 127 19.144 29.350 14.267 1.00 18.67 C ATOM 1011 O GLY A 127 18.343 30.206 13.909 1.00 17.80 O ATOM 1012 N CYS A 128 19.130 28.834 15.490 1.00 16.85 N ATOM 1013 CA CYS A 128 18.089 29.197 16.446 1.00 17.63 C ATOM 1014 C CYS A 128 18.330 30.466 17.259 1.00 18.50 C ATOM 1015 O CYS A 128 17.442 30.910 17.998 1.00 18.97 O ATOM 1016 CB CYS A 128 17.834 28.027 17.391 1.00 17.55 C ATOM 1017 SG CYS A 128 17.411 26.499 16.501 1.00 14.57 S ATOM 1018 N GLY A 129 19.530 31.028 17.148 1.00 20.15 N ATOM 1019 CA GLY A 129 19.851 32.241 17.878 1.00 21.76 C ATOM 1020 C GLY A 129 20.008 32.050 19.373 1.00 23.78 C ATOM 1021 O GLY A 129 19.644 32.932 20.157 1.00 23.94 O ATOM 1022 N VAL A 130 20.501 30.882 19.770 1.00 23.46 N ATOM 1023 CA VAL A 130 20.716 30.575 21.182 1.00 25.81 C ATOM 1024 C VAL A 130 22.203 30.331 21.455 1.00 26.37 C ATOM 1025 O VAL A 130 22.982 30.264 20.478 1.00 28.06 O ATOM 1026 CB VAL A 130 19.902 29.321 21.633 1.00 25.76 C ATOM 1027 CG1 VAL A 130 18.395 29.574 21.484 1.00 24.98 C ATOM 1028 CG2 VAL A 130 20.333 28.092 20.829 1.00 25.79 C ATOM 1029 OXT VAL A 130 22.576 30.178 22.632 1.00 29.05 O TER 1030 VAL A 130 HETATM 1031 O HOH A 131 5.251 20.320 31.647 1.00 8.41 O HETATM 1032 O HOH A 132 8.530 15.020 29.437 1.00 10.91 O HETATM 1033 O HOH A 133 6.352 16.969 28.215 1.00 15.08 O HETATM 1034 O HOH A 134 3.564 6.077 38.845 1.00 13.19 O HETATM 1035 O HOH A 135 12.212 26.724 13.900 1.00 22.13 O HETATM 1036 O HOH A 136 1.885 3.184 33.666 1.00 13.25 O HETATM 1037 O HOH A 137 19.911 28.113 29.829 1.00 13.55 O HETATM 1038 O HOH A 138 1.244 17.553 39.555 1.00 17.63 O HETATM 1039 O HOH A 139 0.532 12.651 41.966 1.00 18.81 O HETATM 1040 O HOH A 140 4.452 23.036 33.234 1.00 19.26 O HETATM 1041 O HOH A 141 4.985 19.224 28.811 1.00 15.62 O HETATM 1042 O HOH A 142 24.450 23.949 22.761 1.00 15.91 O HETATM 1043 O HOH A 143 20.336 10.362 36.039 1.00 18.37 O HETATM 1044 O HOH A 144 26.649 14.468 22.511 1.00 13.87 O HETATM 1045 O HOH A 145 -1.341 6.658 30.988 1.00 19.30 O HETATM 1046 O HOH A 146 15.291 6.358 26.195 1.00 18.21 O HETATM 1047 O HOH A 147 6.884 7.309 40.170 1.00 17.86 O HETATM 1048 O HOH A 148 15.517 18.597 14.517 1.00 22.52 O HETATM 1049 O HOH A 149 15.672 32.096 24.638 1.00 30.97 O HETATM 1050 O HOH A 150 2.040 4.376 40.496 1.00 17.96 O HETATM 1051 O HOH A 151 10.790 24.972 35.104 1.00 25.58 O HETATM 1052 O HOH A 152 10.736 29.798 15.508 1.00 25.18 O HETATM 1053 O HOH A 153 14.279 20.286 39.739 1.00 18.95 O HETATM 1054 O HOH A 154 13.338 24.683 36.775 1.00 27.41 O HETATM 1055 O HOH A 155 6.541 25.896 27.535 1.00 23.67 O HETATM 1056 O HOH A 156 12.822 8.608 32.250 1.00 25.36 O HETATM 1057 O HOH A 157 17.013 4.920 20.282 1.00 27.68 O HETATM 1058 O HOH A 158 0.235 18.897 25.291 1.00 19.70 O HETATM 1059 O HOH A 159 8.758 19.986 14.433 1.00 34.57 O HETATM 1060 O HOH A 160 1.133 21.335 17.701 1.00 27.26 O HETATM 1061 O HOH A 161 9.843 18.145 39.795 1.00 24.94 O HETATM 1062 O HOH A 162 -0.797 23.696 28.847 1.00 33.72 O HETATM 1063 O HOH A 163 22.411 7.609 38.493 1.00 29.28 O HETATM 1064 O HOH A 164 28.936 12.996 23.945 1.00 26.82 O HETATM 1065 O HOH A 165 9.712 6.048 25.005 1.00 30.49 O HETATM 1066 O HOH A 166 22.461 12.826 16.509 1.00 23.92 O HETATM 1067 O HOH A 167 -0.595 3.866 29.842 1.00 26.95 O HETATM 1068 O HOH A 168 23.671 23.625 37.117 1.00 30.84 O HETATM 1069 O HOH A 169 32.549 13.200 19.481 1.00 37.64 O HETATM 1070 O HOH A 170 26.988 20.709 21.836 1.00 29.05 O HETATM 1071 O HOH A 171 12.211 6.863 29.087 1.00 32.33 O HETATM 1072 O HOH A 172 6.344 -2.923 25.579 1.00 57.86 O HETATM 1073 O HOH A 173 22.779 26.172 33.807 1.00 35.08 O HETATM 1074 O HOH A 174 17.797 26.307 37.234 1.00 29.48 O HETATM 1075 O HOH A 175 17.547 16.592 44.092 1.00 35.55 O HETATM 1076 O HOH A 176 6.892 28.635 27.897 1.00 42.83 O HETATM 1077 O HOH A 177 29.150 15.827 21.181 1.00 37.31 O HETATM 1078 O HOH A 178 14.688 6.261 30.948 1.00 48.87 O HETATM 1079 O HOH A 179 0.645 0.485 34.237 1.00 25.00 O HETATM 1080 O HOH A 180 11.031 1.690 33.485 1.00 31.00 O HETATM 1081 O HOH A 181 25.954 16.906 39.792 1.00 34.88 O HETATM 1082 O HOH A 182 0.220 4.884 26.445 1.00 48.29 O HETATM 1083 O HOH A 183 14.000 7.489 41.047 1.00 33.95 O HETATM 1084 O HOH A 184 12.934 11.746 12.789 1.00 37.64 O HETATM 1085 O HOH A 185 -1.994 22.329 21.571 1.00 34.06 O HETATM 1086 O HOH A 186 4.547 26.236 25.061 1.00 40.41 O HETATM 1087 O HOH A 187 11.036 22.216 13.287 1.00 43.62 O HETATM 1088 O HOH A 188 6.378 29.531 32.129 1.00 38.57 O HETATM 1089 O HOH A 189 18.296 23.269 40.104 1.00 36.02 O HETATM 1090 O HOH A 190 24.275 29.013 14.833 1.00 37.21 O HETATM 1091 O HOH A 191 21.931 29.023 17.662 1.00 28.68 O HETATM 1092 O HOH A 192 4.713 24.759 17.811 1.00 45.54 O HETATM 1093 O HOH A 193 25.880 18.473 14.232 1.00 39.42 O HETATM 1094 O HOH A 194 6.050 14.805 16.692 1.00 47.42 O HETATM 1095 O HOH A 195 30.391 10.714 25.877 1.00 34.17 O HETATM 1096 O HOH A 196 18.043 19.175 12.819 1.00 33.46 O HETATM 1097 O HOH A 197 15.972 4.904 28.854 1.00 36.18 O HETATM 1098 O HOH A 198 0.078 25.224 22.110 1.00 38.78 O HETATM 1099 O HOH A 199 15.081 22.118 11.091 1.00 40.72 O HETATM 1100 O HOH A 200 19.206 8.029 36.965 1.00 25.99 O HETATM 1101 O HOH A 201 19.781 26.001 9.922 1.00 38.38 O HETATM 1102 O HOH A 202 8.535 25.098 37.037 1.00 54.29 O HETATM 1103 O HOH A 203 1.342 -5.263 30.423 1.00 36.67 O HETATM 1104 O HOH A 204 13.810 9.094 12.348 1.00 43.14 O HETATM 1105 O HOH A 205 22.727 29.247 30.937 1.00 39.27 O HETATM 1106 O HOH A 206 19.888 8.692 14.271 1.00 41.56 O HETATM 1107 O HOH A 207 26.248 12.053 31.891 1.00 27.99 O HETATM 1108 O HOH A 208 8.384 16.873 14.653 1.00 53.07 O HETATM 1109 O HOH A 209 27.270 5.612 22.496 1.00 37.89 O HETATM 1110 O HOH A 210 3.521 -1.377 43.957 1.00 48.87 O HETATM 1111 O HOH A 211 31.179 14.071 22.258 1.00 45.18 O HETATM 1112 O HOH A 212 9.972 30.932 20.732 1.00 27.03 O HETATM 1113 O HOH A 213 -1.892 16.813 25.455 1.00 54.13 O HETATM 1114 O HOH A 214 -1.985 8.468 28.631 1.00 45.09 O HETATM 1115 O HOH A 215 1.764 27.459 21.932 1.00 50.02 O HETATM 1116 O HOH A 216 32.304 8.403 26.807 1.00 54.27 O HETATM 1117 O HOH A 217 28.464 18.653 18.726 1.00 58.04 O HETATM 1118 O HOH A 218 11.717 11.463 16.386 1.00 38.19 O HETATM 1119 O HOH A 219 -2.338 24.994 25.562 1.00 44.58 O HETATM 1120 O HOH A 220 -1.205 11.515 39.058 1.00 9.51 O HETATM 1121 O HOH A 221 7.806 2.860 25.442 1.00 45.58 O HETATM 1122 O HOH A 222 10.988 3.077 28.612 1.00 47.11 O HETATM 1123 O HOH A 223 16.146 6.056 39.037 1.00 53.26 O HETATM 1124 O HOH A 224 1.891 24.994 18.682 1.00 44.19 O HETATM 1125 O HOH A 225 7.513 28.522 24.381 1.00 42.44 O HETATM 1126 O HOH A 226 -1.392 19.411 22.323 1.00 48.07 O HETATM 1127 O HOH A 227 23.699 17.134 9.763 1.00 51.17 O HETATM 1128 O HOH A 228 6.676 19.298 42.476 1.00 57.83 O HETATM 1129 O HOH A 229 1.690 6.509 21.104 1.00 51.49 O HETATM 1130 O HOH A 230 17.768 33.226 22.876 1.00 45.20 O HETATM 1131 O HOH A 231 2.355 2.676 24.166 1.00 59.38 O HETATM 1132 O HOH A 232 2.407 27.169 26.773 1.00 47.31 O HETATM 1133 O HOH A 233 13.120 19.497 13.243 1.00 44.61 O HETATM 1134 O HOH A 234 -1.598 0.010 31.795 1.00 49.40 O HETATM 1135 O HOH A 235 17.796 21.358 10.853 1.00 52.46 O HETATM 1136 O HOH A 236 9.877 10.135 46.527 1.00 53.59 O CONECT 53 1017 CONECT 243 916 CONECT 534 642 CONECT 612 738 CONECT 642 534 CONECT 738 612 CONECT 916 243 CONECT 1017 53 MASTER 205 0 0 8 2 0 0 6 1135 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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