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*** HYDROLASE 16-JAN-97 1LOZ ***elNémo ID: 2407240957261071385Job options:ID = 2407240957261071385 JOBID = HYDROLASE 16-JAN-97 1LOZ 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 16-JAN-97 1LOZ TITLE AMYLOIDOGENIC VARIANT (I56T) VARIANT OF HUMAN LYSOZYME 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: MUTANT HUMAN LYSOZYME; SOURCE 6 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA; SOURCE 7 EXPRESSION_SYSTEM_COMMON: FALL ARMYWORM; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 7108; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: SF9; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: BACULOVIRUS; SOURCE 11 EXPRESSION_SYSTEM_VECTOR: AUTOGRAPHA CALIFORNICA NUCLEAR POLYHEDRIS SOURCE 12 VIRUS; SOURCE 13 EXPRESSION_SYSTEM_PLASMID: BACPAK8 (CLONTECH); SOURCE 14 EXPRESSION_SYSTEM_GENE: MUTANT HUMAN LYSOZYME KEYWDS HYDROLASE, ENZYME, BETA-1, 4-GLYCAN-HYDROLASES EXPDTA X-RAY DIFFRACTION AUTHOR M.SUNDE,C.C.F.BLAKE REVDAT 4 09-AUG-23 1LOZ 1 REMARK REVDAT 3 12-FEB-14 1LOZ 1 REMARK REVDAT 2 24-FEB-09 1LOZ 1 VERSN REVDAT 1 01-APR-97 1LOZ 0 JRNL AUTH D.R.BOOTH,M.SUNDE,V.BELLOTTI,C.V.ROBINSON,W.L.HUTCHINSON, JRNL AUTH 2 P.E.FRASER,P.N.HAWKINS,C.M.DOBSON,S.E.RADFORD,C.C.BLAKE, JRNL AUTH 3 M.B.PEPYS JRNL TITL INSTABILITY, UNFOLDING AND AGGREGATION OF HUMAN LYSOZYME JRNL TITL 2 VARIANTS UNDERLYING AMYLOID FIBRILLOGENESIS. JRNL REF NATURE V. 385 787 1997 JRNL REFN ISSN 0028-0836 JRNL PMID 9039909 JRNL DOI 10.1038/385787A0 REMARK 2 REMARK 2 RESOLUTION. 1.80 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) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 99.4 REMARK 3 NUMBER OF REFLECTIONS : 10513 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) : 0.211 REMARK 3 FREE R VALUE : NULL 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 : 1028 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 43 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 16.76 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.013 REMARK 3 BOND ANGLES (DEGREES) : 1.643 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.50 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.390 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 3.490 ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : 5.410 ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO REMARK 3 PARAMETER FILE 2 : PARAM19.SOL REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO REMARK 3 TOPOLOGY FILE 2 : TOP19.SOL REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LOZ 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_1000174785. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : FEB-95 REMARK 200 TEMPERATURE (KELVIN) : 288 REMARK 200 PH : 4.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : GRAPHITE(002) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 10578 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 15.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 92.8 REMARK 200 DATA REDUNDANCY : 4.700 REMARK 200 R MERGE (I) : 0.09200 REMARK 200 R SYM (I) : 0.10000 REMARK 200 FOR THE DATA SET : 11.2000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.86 REMARK 200 COMPLETENESS FOR SHELL (%) : 87.2 REMARK 200 DATA REDUNDANCY IN SHELL : 2.60 REMARK 200 R MERGE FOR SHELL (I) : 0.24000 REMARK 200 R SYM FOR SHELL (I) : 0.28000 REMARK 200 FOR SHELL : 3.600 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: PDB ENTRY 1LZM REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 62.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.99 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: THE PROTEIN WAS CRYSTALLIZED FROM REMARK 280 0.16M AMMONIUM SULFATE, 24% PEG 8000 BY VAPOR DIFFUSION., PH 4.0, REMARK 280 VAPOR DIFFUSION 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 28.42350 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 16.84950 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 30.44450 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 16.84950 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 28.42350 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 30.44450 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 1LOZ A 1 130 UNP P61626 LYSC_HUMAN 1 130 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 THR 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 *43(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 2.20 SSBOND 2 CYS A 30 CYS A 116 1555 1555 2.22 SSBOND 3 CYS A 65 CYS A 81 1555 1555 2.24 SSBOND 4 CYS A 77 CYS A 95 1555 1555 2.23 CRYST1 56.847 60.889 33.699 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 0.017591 0.000000 0.000000 0.00000 SCALE2 0.000000 0.016423 0.000000 0.00000 SCALE3 0.000000 0.000000 0.029674 0.00000 ATOM 1 N LYS A 1 1.023 19.440 -10.760 1.00 13.22 N ATOM 2 CA LYS A 1 1.694 20.407 -11.691 1.00 13.77 C ATOM 3 C LYS A 1 2.948 19.796 -12.336 1.00 11.43 C ATOM 4 O LYS A 1 3.761 19.199 -11.635 1.00 12.61 O ATOM 5 CB LYS A 1 2.093 21.688 -10.924 1.00 12.69 C ATOM 6 CG LYS A 1 2.932 22.680 -11.711 1.00 19.73 C ATOM 7 CD LYS A 1 3.213 23.944 -10.919 1.00 21.75 C ATOM 8 CE LYS A 1 3.690 25.048 -11.843 1.00 22.96 C ATOM 9 NZ LYS A 1 3.987 26.284 -11.058 1.00 30.49 N ATOM 10 N VAL A 2 3.079 19.934 -13.655 1.00 10.41 N ATOM 11 CA VAL A 2 4.259 19.458 -14.376 1.00 11.80 C ATOM 12 C VAL A 2 5.083 20.719 -14.724 1.00 11.58 C ATOM 13 O VAL A 2 4.712 21.518 -15.583 1.00 12.80 O ATOM 14 CB VAL A 2 3.904 18.685 -15.680 1.00 13.08 C ATOM 15 CG1 VAL A 2 5.183 18.193 -16.369 1.00 10.84 C ATOM 16 CG2 VAL A 2 3.009 17.511 -15.371 1.00 16.11 C ATOM 17 N PHE A 3 6.172 20.919 -14.004 1.00 11.75 N ATOM 18 CA PHE A 3 7.032 22.075 -14.221 1.00 12.28 C ATOM 19 C PHE A 3 7.791 22.026 -15.517 1.00 10.84 C ATOM 20 O PHE A 3 8.096 20.956 -16.022 1.00 13.26 O ATOM 21 CB PHE A 3 8.099 22.172 -13.132 1.00 11.31 C ATOM 22 CG PHE A 3 7.620 22.749 -11.852 1.00 11.68 C ATOM 23 CD1 PHE A 3 6.952 21.954 -10.919 1.00 15.14 C ATOM 24 CD2 PHE A 3 7.901 24.077 -11.537 1.00 14.42 C ATOM 25 CE1 PHE A 3 6.569 22.475 -9.681 1.00 17.25 C ATOM 26 CE2 PHE A 3 7.530 24.611 -10.303 1.00 12.59 C ATOM 27 CZ PHE A 3 6.857 23.810 -9.360 1.00 15.17 C ATOM 28 N GLU A 4 8.095 23.212 -16.041 1.00 10.33 N ATOM 29 CA GLU A 4 8.942 23.308 -17.201 1.00 12.23 C ATOM 30 C GLU A 4 10.325 23.381 -16.519 1.00 10.70 C ATOM 31 O GLU A 4 10.470 23.936 -15.410 1.00 10.09 O ATOM 32 CB GLU A 4 8.663 24.581 -18.014 1.00 22.75 C ATOM 33 CG GLU A 4 7.188 24.833 -18.386 1.00 41.09 C ATOM 34 CD GLU A 4 6.554 23.796 -19.327 1.00 50.77 C ATOM 35 OE1 GLU A 4 7.108 22.688 -19.523 1.00 56.93 O ATOM 36 OE2 GLU A 4 5.463 24.097 -19.866 1.00 55.56 O ATOM 37 N ARG A 5 11.321 22.802 -17.175 1.00 9.42 N ATOM 38 CA ARG A 5 12.674 22.749 -16.650 1.00 7.25 C ATOM 39 C ARG A 5 13.204 24.029 -15.992 1.00 9.89 C ATOM 40 O ARG A 5 13.473 24.025 -14.809 1.00 6.88 O ATOM 41 CB ARG A 5 13.639 22.297 -17.749 1.00 7.81 C ATOM 42 CG ARG A 5 15.068 22.084 -17.281 1.00 7.61 C ATOM 43 CD ARG A 5 15.981 21.669 -18.442 1.00 12.70 C ATOM 44 NE ARG A 5 16.045 22.627 -19.551 1.00 13.72 N ATOM 45 CZ ARG A 5 17.014 23.530 -19.713 1.00 16.40 C ATOM 46 NH1 ARG A 5 17.984 23.652 -18.812 1.00 16.02 N ATOM 47 NH2 ARG A 5 16.999 24.343 -20.763 1.00 16.99 N ATOM 48 N CYS A 6 13.332 25.124 -16.757 1.00 9.61 N ATOM 49 CA CYS A 6 13.867 26.387 -16.218 1.00 8.07 C ATOM 50 C CYS A 6 13.021 27.014 -15.126 1.00 6.94 C ATOM 51 O CYS A 6 13.536 27.664 -14.230 1.00 8.05 O ATOM 52 CB CYS A 6 14.169 27.385 -17.347 1.00 9.36 C ATOM 53 SG CYS A 6 15.524 26.789 -18.412 1.00 13.06 S ATOM 54 N GLU A 7 11.716 26.784 -15.211 1.00 9.11 N ATOM 55 CA GLU A 7 10.769 27.277 -14.233 1.00 7.73 C ATOM 56 C GLU A 7 11.112 26.626 -12.888 1.00 8.93 C ATOM 57 O GLU A 7 11.261 27.320 -11.848 1.00 9.91 O ATOM 58 CB GLU A 7 9.366 26.880 -14.671 1.00 15.44 C ATOM 59 CG GLU A 7 8.272 27.368 -13.756 1.00 26.55 C ATOM 60 CD GLU A 7 6.891 26.690 -14.002 1.00 35.78 C ATOM 61 OE1 GLU A 7 6.722 25.807 -14.930 1.00 26.21 O ATOM 62 OE2 GLU A 7 5.967 27.071 -13.211 1.00 36.40 O ATOM 63 N LEU A 8 11.287 25.300 -12.917 1.00 7.65 N ATOM 64 CA LEU A 8 11.646 24.556 -11.705 1.00 6.36 C ATOM 65 C LEU A 8 13.041 24.958 -11.200 1.00 5.87 C ATOM 66 O LEU A 8 13.247 25.106 -10.003 1.00 6.24 O ATOM 67 CB LEU A 8 11.614 23.038 -11.987 1.00 9.23 C ATOM 68 CG LEU A 8 11.975 22.114 -10.818 1.00 8.30 C ATOM 69 CD1 LEU A 8 11.082 22.424 -9.619 1.00 7.82 C ATOM 70 CD2 LEU A 8 11.869 20.653 -11.226 1.00 7.07 C ATOM 71 N ALA A 9 13.974 25.191 -12.122 1.00 4.66 N ATOM 72 CA ALA A 9 15.347 25.536 -11.756 1.00 8.03 C ATOM 73 C ALA A 9 15.419 26.826 -10.913 1.00 8.50 C ATOM 74 O ALA A 9 16.065 26.895 -9.855 1.00 8.43 O ATOM 75 CB ALA A 9 16.237 25.643 -13.032 1.00 10.52 C ATOM 76 N ARG A 10 14.701 27.841 -11.372 1.00 11.81 N ATOM 77 CA ARG A 10 14.699 29.108 -10.649 1.00 11.95 C ATOM 78 C ARG A 10 13.953 28.990 -9.335 1.00 8.29 C ATOM 79 O ARG A 10 14.317 29.643 -8.355 1.00 8.55 O ATOM 80 CB ARG A 10 14.133 30.205 -11.547 1.00 11.42 C ATOM 81 CG ARG A 10 15.080 30.514 -12.713 1.00 8.33 C ATOM 82 CD ARG A 10 14.549 31.718 -13.511 1.00 15.66 C ATOM 83 NE ARG A 10 13.251 31.465 -14.164 1.00 13.07 N ATOM 84 CZ ARG A 10 13.113 31.021 -15.420 1.00 13.82 C ATOM 85 NH1 ARG A 10 14.186 30.716 -16.152 1.00 13.70 N ATOM 86 NH2 ARG A 10 11.890 30.841 -15.930 1.00 14.53 N ATOM 87 N THR A 11 12.917 28.147 -9.315 1.00 9.08 N ATOM 88 CA THR A 11 12.150 27.931 -8.095 1.00 7.56 C ATOM 89 C THR A 11 13.026 27.269 -7.018 1.00 8.85 C ATOM 90 O THR A 11 13.017 27.682 -5.858 1.00 9.59 O ATOM 91 CB THR A 11 10.907 27.040 -8.345 1.00 8.56 C ATOM 92 OG1 THR A 11 10.045 27.667 -9.300 1.00 12.80 O ATOM 93 CG2 THR A 11 10.136 26.804 -7.029 1.00 7.38 C ATOM 94 N LEU A 12 13.804 26.258 -7.415 1.00 6.93 N ATOM 95 CA LEU A 12 14.674 25.564 -6.462 1.00 5.92 C ATOM 96 C LEU A 12 15.765 26.513 -5.945 1.00 7.41 C ATOM 97 O LEU A 12 16.139 26.486 -4.775 1.00 6.84 O ATOM 98 CB LEU A 12 15.315 24.340 -7.140 1.00 7.15 C ATOM 99 CG LEU A 12 14.367 23.186 -7.466 1.00 8.13 C ATOM 100 CD1 LEU A 12 15.135 21.949 -7.989 1.00 6.76 C ATOM 101 CD2 LEU A 12 13.569 22.869 -6.191 1.00 8.89 C ATOM 102 N LYS A 13 16.299 27.323 -6.848 1.00 7.24 N ATOM 103 CA LYS A 13 17.327 28.277 -6.496 1.00 9.65 C ATOM 104 C LYS A 13 16.805 29.241 -5.427 1.00 10.68 C ATOM 105 O LYS A 13 17.512 29.517 -4.467 1.00 9.65 O ATOM 106 CB LYS A 13 17.760 29.057 -7.736 1.00 15.59 C ATOM 107 CG LYS A 13 18.801 30.139 -7.474 1.00 21.13 C ATOM 108 CD LYS A 13 20.213 29.626 -7.553 1.00 32.91 C ATOM 109 CE LYS A 13 21.187 30.787 -7.626 1.00 36.45 C ATOM 110 NZ LYS A 13 22.562 30.273 -7.828 1.00 42.24 N ATOM 111 N ARG A 14 15.563 29.713 -5.566 1.00 10.29 N ATOM 112 CA ARG A 14 14.991 30.645 -4.583 1.00 14.16 C ATOM 113 C ARG A 14 14.714 29.966 -3.251 1.00 10.64 C ATOM 114 O ARG A 14 14.717 30.627 -2.200 1.00 9.41 O ATOM 115 CB ARG A 14 13.704 31.292 -5.129 1.00 18.80 C ATOM 116 CG ARG A 14 13.308 32.587 -4.469 1.00 31.16 C ATOM 117 CD ARG A 14 11.898 32.987 -4.870 1.00 40.26 C ATOM 118 NE ARG A 14 11.676 32.895 -6.311 1.00 47.18 N ATOM 119 CZ ARG A 14 10.969 31.933 -6.915 1.00 51.99 C ATOM 120 NH1 ARG A 14 10.392 30.953 -6.206 1.00 53.70 N ATOM 121 NH2 ARG A 14 10.871 31.925 -8.243 1.00 52.20 N ATOM 122 N LEU A 15 14.522 28.639 -3.305 1.00 9.04 N ATOM 123 CA LEU A 15 14.248 27.809 -2.105 1.00 8.86 C ATOM 124 C LEU A 15 15.535 27.347 -1.421 1.00 9.85 C ATOM 125 O LEU A 15 15.529 26.524 -0.506 1.00 9.86 O ATOM 126 CB LEU A 15 13.345 26.606 -2.438 1.00 8.87 C ATOM 127 CG LEU A 15 11.839 26.849 -2.565 1.00 11.58 C ATOM 128 CD1 LEU A 15 11.610 28.158 -3.161 1.00 21.14 C ATOM 129 CD2 LEU A 15 11.171 25.773 -3.432 1.00 15.07 C ATOM 130 N GLY A 16 16.654 27.837 -1.924 1.00 7.95 N ATOM 131 CA GLY A 16 17.908 27.544 -1.277 1.00 10.11 C ATOM 132 C GLY A 16 18.539 26.216 -1.506 1.00 9.20 C ATOM 133 O GLY A 16 19.348 25.792 -0.682 1.00 10.48 O ATOM 134 N MET A 17 18.255 25.625 -2.663 1.00 9.51 N ATOM 135 CA MET A 17 18.804 24.294 -2.985 1.00 11.82 C ATOM 136 C MET A 17 20.186 24.278 -3.604 1.00 12.10 C ATOM 137 O MET A 17 20.906 23.283 -3.490 1.00 13.42 O ATOM 138 CB MET A 17 17.859 23.545 -3.916 1.00 10.25 C ATOM 139 CG MET A 17 16.579 23.202 -3.242 1.00 14.28 C ATOM 140 SD MET A 17 16.765 21.963 -1.986 1.00 18.99 S ATOM 141 CE MET A 17 15.885 20.621 -2.858 1.00 16.84 C ATOM 142 N ASP A 18 20.576 25.385 -4.236 1.00 11.67 N ATOM 143 CA ASP A 18 21.868 25.411 -4.910 1.00 14.55 C ATOM 144 C ASP A 18 23.050 25.283 -3.958 1.00 14.74 C ATOM 145 O ASP A 18 23.380 26.214 -3.198 1.00 13.22 O ATOM 146 CB ASP A 18 22.027 26.645 -5.823 1.00 17.29 C ATOM 147 CG ASP A 18 23.308 26.577 -6.671 1.00 23.32 C ATOM 148 OD1 ASP A 18 23.542 25.540 -7.329 1.00 19.90 O ATOM 149 OD2 ASP A 18 24.107 27.538 -6.650 1.00 28.87 O ATOM 150 N GLY A 19 23.667 24.110 -3.986 1.00 13.50 N ATOM 151 CA GLY A 19 24.812 23.891 -3.138 1.00 11.20 C ATOM 152 C GLY A 19 24.399 23.436 -1.776 1.00 10.19 C ATOM 153 O GLY A 19 25.248 23.351 -0.919 1.00 12.83 O ATOM 154 N TYR A 20 23.121 23.138 -1.565 1.00 9.86 N ATOM 155 CA TYR A 20 22.667 22.660 -0.242 1.00 10.87 C ATOM 156 C TYR A 20 23.392 21.333 0.169 1.00 10.23 C ATOM 157 O TYR A 20 23.320 20.318 -0.546 1.00 9.98 O ATOM 158 CB TYR A 20 21.144 22.480 -0.235 1.00 7.43 C ATOM 159 CG TYR A 20 20.628 22.164 1.139 1.00 9.66 C ATOM 160 CD1 TYR A 20 20.326 23.200 2.036 1.00 13.74 C ATOM 161 CD2 TYR A 20 20.489 20.839 1.571 1.00 11.81 C ATOM 162 CE1 TYR A 20 19.902 22.924 3.346 1.00 15.31 C ATOM 163 CE2 TYR A 20 20.062 20.535 2.864 1.00 12.69 C ATOM 164 CZ TYR A 20 19.775 21.592 3.748 1.00 18.99 C ATOM 165 OH TYR A 20 19.382 21.330 5.034 1.00 23.47 O ATOM 166 N ARG A 21 24.087 21.348 1.311 1.00 9.29 N ATOM 167 CA ARG A 21 24.869 20.186 1.787 1.00 11.66 C ATOM 168 C ARG A 21 25.854 19.689 0.713 1.00 9.67 C ATOM 169 O ARG A 21 26.082 18.502 0.577 1.00 9.02 O ATOM 170 CB ARG A 21 23.979 19.029 2.262 1.00 12.98 C ATOM 171 CG ARG A 21 23.268 19.273 3.574 1.00 18.52 C ATOM 172 CD ARG A 21 24.218 19.779 4.644 1.00 27.81 C ATOM 173 NE ARG A 21 24.215 18.959 5.853 1.00 38.66 N ATOM 174 CZ ARG A 21 24.754 17.744 5.937 1.00 41.40 C ATOM 175 NH1 ARG A 21 25.331 17.189 4.885 1.00 44.91 N ATOM 176 NH2 ARG A 21 24.712 17.070 7.071 1.00 41.69 N ATOM 177 N GLY A 22 26.366 20.621 -0.093 1.00 9.05 N ATOM 178 CA GLY A 22 27.310 20.289 -1.141 1.00 8.44 C ATOM 179 C GLY A 22 26.700 19.851 -2.454 1.00 7.43 C ATOM 180 O GLY A 22 27.447 19.505 -3.379 1.00 8.75 O ATOM 181 N ILE A 23 25.368 19.889 -2.571 1.00 7.94 N ATOM 182 CA ILE A 23 24.701 19.430 -3.799 1.00 6.05 C ATOM 183 C ILE A 23 24.361 20.575 -4.709 1.00 6.92 C ATOM 184 O ILE A 23 23.585 21.454 -4.329 1.00 7.45 O ATOM 185 CB ILE A 23 23.387 18.689 -3.506 1.00 6.79 C ATOM 186 CG1 ILE A 23 23.591 17.588 -2.460 1.00 6.33 C ATOM 187 CG2 ILE A 23 22.848 18.110 -4.788 1.00 8.27 C ATOM 188 CD1 ILE A 23 22.251 17.072 -1.809 1.00 6.53 C ATOM 189 N SER A 24 24.900 20.532 -5.926 1.00 10.12 N ATOM 190 CA SER A 24 24.653 21.594 -6.909 1.00 11.83 C ATOM 191 C SER A 24 23.208 21.557 -7.435 1.00 11.60 C ATOM 192 O SER A 24 22.585 20.475 -7.490 1.00 8.77 O ATOM 193 CB SER A 24 25.618 21.482 -8.086 1.00 10.73 C ATOM 194 OG SER A 24 25.315 20.345 -8.882 1.00 11.65 O ATOM 195 N LEU A 25 22.704 22.718 -7.877 1.00 9.06 N ATOM 196 CA LEU A 25 21.349 22.784 -8.416 1.00 8.03 C ATOM 197 C LEU A 25 21.157 21.795 -9.611 1.00 7.87 C ATOM 198 O LEU A 25 20.083 21.200 -9.772 1.00 11.26 O ATOM 199 CB LEU A 25 21.049 24.220 -8.852 1.00 12.41 C ATOM 200 CG LEU A 25 19.607 24.666 -9.090 1.00 14.57 C ATOM 201 CD1 LEU A 25 18.714 24.303 -7.917 1.00 14.53 C ATOM 202 CD2 LEU A 25 19.628 26.188 -9.286 1.00 15.82 C ATOM 203 N ALA A 26 22.184 21.636 -10.450 1.00 8.60 N ATOM 204 CA ALA A 26 22.113 20.727 -11.601 1.00 7.56 C ATOM 205 C ALA A 26 21.841 19.290 -11.145 1.00 7.16 C ATOM 206 O ALA A 26 21.111 18.547 -11.814 1.00 8.20 O ATOM 207 CB ALA A 26 23.386 20.796 -12.407 1.00 10.16 C ATOM 208 N ASN A 27 22.422 18.910 -10.010 1.00 6.54 N ATOM 209 CA ASN A 27 22.214 17.564 -9.457 1.00 8.29 C ATOM 210 C ASN A 27 20.798 17.392 -8.982 1.00 7.15 C ATOM 211 O ASN A 27 20.192 16.368 -9.239 1.00 7.00 O ATOM 212 CB ASN A 27 23.207 17.255 -8.347 1.00 7.73 C ATOM 213 CG ASN A 27 24.500 16.705 -8.902 1.00 11.33 C ATOM 214 OD1 ASN A 27 24.513 15.656 -9.588 1.00 8.44 O ATOM 215 ND2 ASN A 27 25.596 17.414 -8.657 1.00 14.32 N ATOM 216 N TRP A 28 20.270 18.422 -8.311 1.00 7.24 N ATOM 217 CA TRP A 28 18.891 18.410 -7.857 1.00 5.24 C ATOM 218 C TRP A 28 17.952 18.313 -9.083 1.00 6.40 C ATOM 219 O TRP A 28 16.935 17.590 -9.058 1.00 8.05 O ATOM 220 CB TRP A 28 18.613 19.688 -7.091 1.00 6.98 C ATOM 221 CG TRP A 28 19.194 19.733 -5.726 1.00 6.34 C ATOM 222 CD1 TRP A 28 20.089 20.644 -5.267 1.00 6.52 C ATOM 223 CD2 TRP A 28 18.810 18.936 -4.578 1.00 5.64 C ATOM 224 NE1 TRP A 28 20.281 20.497 -3.909 1.00 6.71 N ATOM 225 CE2 TRP A 28 19.508 19.460 -3.455 1.00 6.26 C ATOM 226 CE3 TRP A 28 17.951 17.839 -4.391 1.00 2.98 C ATOM 227 CZ2 TRP A 28 19.365 18.924 -2.153 1.00 9.17 C ATOM 228 CZ3 TRP A 28 17.808 17.303 -3.108 1.00 4.50 C ATOM 229 CH2 TRP A 28 18.507 17.845 -2.005 1.00 8.35 C ATOM 230 N MET A 29 18.280 19.025 -10.157 1.00 6.71 N ATOM 231 CA MET A 29 17.460 18.986 -11.360 1.00 8.28 C ATOM 232 C MET A 29 17.532 17.615 -12.021 1.00 9.73 C ATOM 233 O MET A 29 16.519 17.094 -12.496 1.00 8.37 O ATOM 234 CB MET A 29 17.869 20.073 -12.358 1.00 7.17 C ATOM 235 CG MET A 29 17.462 21.462 -11.909 1.00 8.99 C ATOM 236 SD MET A 29 15.677 21.756 -11.957 1.00 9.30 S ATOM 237 CE MET A 29 15.351 21.588 -13.694 1.00 6.92 C ATOM 238 N CYS A 30 18.717 17.018 -12.045 1.00 7.68 N ATOM 239 CA CYS A 30 18.835 15.684 -12.640 1.00 7.55 C ATOM 240 C CYS A 30 17.944 14.674 -11.861 1.00 7.33 C ATOM 241 O CYS A 30 17.221 13.857 -12.451 1.00 7.08 O ATOM 242 CB CYS A 30 20.291 15.228 -12.615 1.00 6.69 C ATOM 243 SG CYS A 30 20.548 13.750 -13.589 1.00 9.72 S ATOM 244 N LEU A 31 17.969 14.788 -10.535 1.00 6.99 N ATOM 245 CA LEU A 31 17.174 13.910 -9.681 1.00 8.45 C ATOM 246 C LEU A 31 15.651 14.072 -9.898 1.00 11.21 C ATOM 247 O LEU A 31 14.924 13.071 -9.998 1.00 9.85 O ATOM 248 CB LEU A 31 17.503 14.151 -8.202 1.00 8.65 C ATOM 249 CG LEU A 31 16.674 13.273 -7.238 1.00 8.94 C ATOM 250 CD1 LEU A 31 17.245 11.847 -7.198 1.00 8.53 C ATOM 251 CD2 LEU A 31 16.658 13.905 -5.879 1.00 10.91 C ATOM 252 N ALA A 32 15.152 15.315 -9.915 1.00 8.72 N ATOM 253 CA ALA A 32 13.716 15.524 -10.128 1.00 8.27 C ATOM 254 C ALA A 32 13.266 15.020 -11.521 1.00 8.61 C ATOM 255 O ALA A 32 12.159 14.484 -11.662 1.00 10.03 O ATOM 256 CB ALA A 32 13.338 16.994 -9.912 1.00 9.71 C ATOM 257 N LYS A 33 14.137 15.167 -12.532 1.00 4.92 N ATOM 258 CA LYS A 33 13.832 14.731 -13.903 1.00 9.03 C ATOM 259 C LYS A 33 13.623 13.223 -13.953 1.00 9.45 C ATOM 260 O LYS A 33 12.632 12.733 -14.507 1.00 7.97 O ATOM 261 CB LYS A 33 14.954 15.112 -14.883 1.00 8.62 C ATOM 262 CG LYS A 33 14.577 14.896 -16.362 1.00 15.09 C ATOM 263 CD LYS A 33 14.937 13.511 -16.862 1.00 25.26 C ATOM 264 CE LYS A 33 14.510 13.289 -18.315 1.00 26.77 C ATOM 265 NZ LYS A 33 13.042 13.097 -18.463 1.00 36.50 N ATOM 266 N TRP A 34 14.571 12.497 -13.372 1.00 10.27 N ATOM 267 CA TRP A 34 14.493 11.048 -13.369 1.00 10.14 C ATOM 268 C TRP A 34 13.514 10.466 -12.361 1.00 8.97 C ATOM 269 O TRP A 34 12.957 9.409 -12.587 1.00 13.86 O ATOM 270 CB TRP A 34 15.894 10.448 -13.213 1.00 10.12 C ATOM 271 CG TRP A 34 16.711 10.822 -14.392 1.00 10.63 C ATOM 272 CD1 TRP A 34 17.735 11.722 -14.430 1.00 10.33 C ATOM 273 CD2 TRP A 34 16.470 10.426 -15.743 1.00 14.55 C ATOM 274 NE1 TRP A 34 18.134 11.919 -15.722 1.00 12.14 N ATOM 275 CE2 TRP A 34 17.374 11.139 -16.551 1.00 13.21 C ATOM 276 CE3 TRP A 34 15.563 9.540 -16.354 1.00 18.53 C ATOM 277 CZ2 TRP A 34 17.403 10.999 -17.943 1.00 17.75 C ATOM 278 CZ3 TRP A 34 15.592 9.399 -17.745 1.00 16.38 C ATOM 279 CH2 TRP A 34 16.508 10.129 -18.519 1.00 20.34 C ATOM 280 N GLU A 35 13.289 11.156 -11.256 1.00 5.54 N ATOM 281 CA GLU A 35 12.374 10.647 -10.261 1.00 7.52 C ATOM 282 C GLU A 35 10.943 10.857 -10.682 1.00 10.88 C ATOM 283 O GLU A 35 10.156 9.913 -10.705 1.00 10.39 O ATOM 284 CB GLU A 35 12.603 11.308 -8.897 1.00 8.91 C ATOM 285 CG GLU A 35 13.900 10.924 -8.204 1.00 8.42 C ATOM 286 CD GLU A 35 13.980 9.446 -7.832 1.00 14.47 C ATOM 287 OE1 GLU A 35 12.927 8.792 -7.768 1.00 14.19 O ATOM 288 OE2 GLU A 35 15.083 8.933 -7.591 1.00 11.22 O ATOM 289 N SER A 36 10.615 12.077 -11.101 1.00 10.88 N ATOM 290 CA SER A 36 9.236 12.374 -11.459 1.00 8.81 C ATOM 291 C SER A 36 8.963 13.036 -12.797 1.00 9.23 C ATOM 292 O SER A 36 7.807 13.231 -13.156 1.00 10.44 O ATOM 293 CB SER A 36 8.682 13.301 -10.386 1.00 10.28 C ATOM 294 OG SER A 36 9.446 14.502 -10.428 1.00 11.44 O ATOM 295 N GLY A 37 9.989 13.408 -13.537 1.00 10.45 N ATOM 296 CA GLY A 37 9.737 14.140 -14.767 1.00 12.55 C ATOM 297 C GLY A 37 9.150 15.525 -14.435 1.00 11.93 C ATOM 298 O GLY A 37 8.328 16.072 -15.204 1.00 12.69 O ATOM 299 N TYR A 38 9.555 16.065 -13.274 1.00 8.94 N ATOM 300 CA TYR A 38 9.112 17.382 -12.759 1.00 11.01 C ATOM 301 C TYR A 38 7.599 17.451 -12.489 1.00 12.30 C ATOM 302 O TYR A 38 7.002 18.520 -12.524 1.00 10.89 O ATOM 303 CB TYR A 38 9.497 18.524 -13.717 1.00 6.19 C ATOM 304 CG TYR A 38 10.911 18.485 -14.290 1.00 8.00 C ATOM 305 CD1 TYR A 38 12.031 18.165 -13.507 1.00 6.57 C ATOM 306 CD2 TYR A 38 11.126 18.828 -15.625 1.00 13.28 C ATOM 307 CE1 TYR A 38 13.303 18.200 -14.047 1.00 6.25 C ATOM 308 CE2 TYR A 38 12.391 18.866 -16.170 1.00 12.67 C ATOM 309 CZ TYR A 38 13.469 18.555 -15.386 1.00 8.17 C ATOM 310 OH TYR A 38 14.687 18.589 -16.021 1.00 11.34 O ATOM 311 N ASN A 39 6.983 16.316 -12.189 1.00 11.88 N ATOM 312 CA ASN A 39 5.553 16.287 -11.943 1.00 9.10 C ATOM 313 C ASN A 39 5.352 16.130 -10.444 1.00 8.96 C ATOM 314 O ASN A 39 5.792 15.150 -9.865 1.00 7.79 O ATOM 315 CB ASN A 39 4.945 15.137 -12.755 1.00 10.71 C ATOM 316 CG ASN A 39 3.487 14.871 -12.425 1.00 12.38 C ATOM 317 OD1 ASN A 39 2.794 15.702 -11.839 1.00 12.25 O ATOM 318 ND2 ASN A 39 3.009 13.697 -12.811 1.00 15.79 N ATOM 319 N THR A 40 4.702 17.114 -9.818 1.00 7.70 N ATOM 320 CA THR A 40 4.471 17.118 -8.357 1.00 8.21 C ATOM 321 C THR A 40 3.445 16.082 -7.888 1.00 10.12 C ATOM 322 O THR A 40 3.402 15.744 -6.699 1.00 11.33 O ATOM 323 CB THR A 40 3.975 18.513 -7.835 1.00 7.79 C ATOM 324 OG1 THR A 40 2.806 18.891 -8.556 1.00 10.25 O ATOM 325 CG2 THR A 40 4.996 19.596 -8.028 1.00 9.24 C ATOM 326 N ARG A 41 2.629 15.588 -8.829 1.00 10.66 N ATOM 327 CA ARG A 41 1.564 14.614 -8.545 1.00 16.06 C ATOM 328 C ARG A 41 2.044 13.172 -8.598 1.00 13.26 C ATOM 329 O ARG A 41 1.287 12.260 -8.271 1.00 14.52 O ATOM 330 CB ARG A 41 0.401 14.751 -9.552 1.00 18.59 C ATOM 331 CG ARG A 41 -0.457 15.987 -9.389 1.00 30.42 C ATOM 332 CD ARG A 41 -1.905 15.749 -9.792 1.00 42.91 C ATOM 333 NE ARG A 41 -2.039 15.179 -11.132 1.00 57.06 N ATOM 334 CZ ARG A 41 -2.860 14.175 -11.447 1.00 64.12 C ATOM 335 NH1 ARG A 41 -3.635 13.610 -10.518 1.00 65.63 N ATOM 336 NH2 ARG A 41 -2.919 13.740 -12.703 1.00 66.73 N ATOM 337 N ALA A 42 3.277 12.980 -9.057 1.00 10.01 N ATOM 338 CA ALA A 42 3.864 11.652 -9.200 1.00 11.81 C ATOM 339 C ALA A 42 3.827 10.770 -7.933 1.00 12.93 C ATOM 340 O ALA A 42 4.329 11.164 -6.874 1.00 10.58 O ATOM 341 CB ALA A 42 5.308 11.781 -9.701 1.00 11.59 C ATOM 342 N THR A 43 3.196 9.595 -8.041 1.00 16.30 N ATOM 343 CA THR A 43 3.188 8.641 -6.927 1.00 16.46 C ATOM 344 C THR A 43 3.570 7.260 -7.475 1.00 17.40 C ATOM 345 O THR A 43 3.246 6.900 -8.625 1.00 17.76 O ATOM 346 CB THR A 43 1.855 8.538 -6.165 1.00 16.79 C ATOM 347 OG1 THR A 43 0.826 8.148 -7.068 1.00 23.76 O ATOM 348 CG2 THR A 43 1.498 9.833 -5.508 1.00 12.98 C ATOM 349 N ASN A 44 4.311 6.516 -6.670 1.00 16.22 N ATOM 350 CA ASN A 44 4.731 5.196 -7.077 1.00 19.02 C ATOM 351 C ASN A 44 4.637 4.269 -5.873 1.00 14.81 C ATOM 352 O ASN A 44 5.401 4.414 -4.914 1.00 15.25 O ATOM 353 CB ASN A 44 6.161 5.234 -7.623 1.00 24.46 C ATOM 354 CG ASN A 44 6.780 3.835 -7.765 1.00 40.40 C ATOM 355 OD1 ASN A 44 6.475 3.101 -8.710 1.00 43.93 O ATOM 356 ND2 ASN A 44 7.647 3.463 -6.818 1.00 43.47 N ATOM 357 N TYR A 45 3.633 3.387 -5.898 1.00 14.99 N ATOM 358 CA TYR A 45 3.424 2.408 -4.832 1.00 15.81 C ATOM 359 C TYR A 45 4.344 1.209 -5.070 1.00 17.40 C ATOM 360 O TYR A 45 4.348 0.617 -6.160 1.00 17.98 O ATOM 361 CB TYR A 45 1.977 1.924 -4.836 1.00 20.67 C ATOM 362 CG TYR A 45 1.715 0.820 -3.843 1.00 20.04 C ATOM 363 CD1 TYR A 45 1.883 1.041 -2.473 1.00 20.12 C ATOM 364 CD2 TYR A 45 1.323 -0.455 -4.272 1.00 23.55 C ATOM 365 CE1 TYR A 45 1.668 0.024 -1.534 1.00 24.36 C ATOM 366 CE2 TYR A 45 1.106 -1.501 -3.335 1.00 26.07 C ATOM 367 CZ TYR A 45 1.278 -1.243 -1.966 1.00 25.87 C ATOM 368 OH TYR A 45 1.038 -2.237 -1.032 1.00 28.09 O ATOM 369 N ASN A 46 5.052 0.806 -4.020 1.00 17.31 N ATOM 370 CA ASN A 46 5.982 -0.304 -4.103 1.00 21.88 C ATOM 371 C ASN A 46 5.282 -1.510 -3.463 1.00 21.34 C ATOM 372 O ASN A 46 5.275 -1.688 -2.228 1.00 19.75 O ATOM 373 CB ASN A 46 7.285 0.062 -3.381 1.00 25.83 C ATOM 374 CG ASN A 46 7.818 1.436 -3.802 1.00 39.19 C ATOM 375 OD1 ASN A 46 8.398 1.588 -4.897 1.00 45.86 O ATOM 376 ND2 ASN A 46 7.603 2.456 -2.946 1.00 37.50 N ATOM 377 N ALA A 47 4.637 -2.297 -4.316 1.00 21.63 N ATOM 378 CA ALA A 47 3.882 -3.457 -3.873 1.00 23.38 C ATOM 379 C ALA A 47 4.690 -4.468 -3.063 1.00 24.21 C ATOM 380 O ALA A 47 4.156 -5.107 -2.149 1.00 24.66 O ATOM 381 CB ALA A 47 3.240 -4.128 -5.060 1.00 22.51 C ATOM 382 N GLY A 48 5.965 -4.615 -3.412 1.00 22.04 N ATOM 383 CA GLY A 48 6.824 -5.550 -2.720 1.00 16.44 C ATOM 384 C GLY A 48 7.063 -5.231 -1.265 1.00 16.40 C ATOM 385 O GLY A 48 7.276 -6.152 -0.485 1.00 18.03 O ATOM 386 N ASP A 49 7.016 -3.952 -0.884 1.00 16.38 N ATOM 387 CA ASP A 49 7.280 -3.565 0.519 1.00 14.28 C ATOM 388 C ASP A 49 6.236 -2.685 1.207 1.00 12.24 C ATOM 389 O ASP A 49 6.470 -2.191 2.322 1.00 13.77 O ATOM 390 CB ASP A 49 8.678 -2.934 0.677 1.00 19.13 C ATOM 391 CG ASP A 49 8.705 -1.423 0.387 1.00 23.16 C ATOM 392 OD1 ASP A 49 8.002 -0.980 -0.528 1.00 22.15 O ATOM 393 OD2 ASP A 49 9.429 -0.679 1.088 1.00 34.74 O ATOM 394 N ARG A 50 5.130 -2.437 0.511 1.00 12.74 N ATOM 395 CA ARG A 50 4.035 -1.674 1.070 1.00 14.44 C ATOM 396 C ARG A 50 4.289 -0.191 1.337 1.00 14.24 C ATOM 397 O ARG A 50 3.637 0.400 2.183 1.00 19.01 O ATOM 398 CB ARG A 50 3.543 -2.383 2.348 1.00 15.92 C ATOM 399 CG ARG A 50 2.820 -3.726 2.062 1.00 18.96 C ATOM 400 CD ARG A 50 2.739 -4.672 3.279 1.00 22.33 C ATOM 401 NE ARG A 50 1.991 -4.160 4.434 1.00 31.73 N ATOM 402 CZ ARG A 50 1.464 -4.929 5.388 1.00 33.97 C ATOM 403 NH1 ARG A 50 1.580 -6.246 5.334 1.00 41.96 N ATOM 404 NH2 ARG A 50 0.868 -4.384 6.433 1.00 35.83 N ATOM 405 N SER A 51 5.183 0.434 0.595 1.00 13.09 N ATOM 406 CA SER A 51 5.440 1.855 0.825 1.00 12.45 C ATOM 407 C SER A 51 5.148 2.587 -0.467 1.00 12.31 C ATOM 408 O SER A 51 5.033 1.946 -1.505 1.00 12.59 O ATOM 409 CB SER A 51 6.895 2.094 1.206 1.00 10.23 C ATOM 410 OG SER A 51 7.740 1.844 0.090 1.00 17.12 O ATOM 411 N THR A 52 5.090 3.919 -0.427 1.00 9.33 N ATOM 412 CA THR A 52 4.805 4.695 -1.636 1.00 5.72 C ATOM 413 C THR A 52 5.749 5.866 -1.707 1.00 5.14 C ATOM 414 O THR A 52 6.137 6.406 -0.682 1.00 8.34 O ATOM 415 CB THR A 52 3.339 5.214 -1.606 1.00 10.90 C ATOM 416 OG1 THR A 52 2.465 4.079 -1.502 1.00 16.08 O ATOM 417 CG2 THR A 52 2.960 6.015 -2.878 1.00 7.60 C ATOM 418 N ASP A 53 6.155 6.212 -2.914 1.00 6.08 N ATOM 419 CA ASP A 53 7.017 7.360 -3.152 1.00 4.96 C ATOM 420 C ASP A 53 6.094 8.460 -3.649 1.00 7.08 C ATOM 421 O ASP A 53 5.294 8.240 -4.574 1.00 6.85 O ATOM 422 CB ASP A 53 8.031 7.076 -4.240 1.00 7.63 C ATOM 423 CG ASP A 53 9.024 6.006 -3.852 1.00 13.55 C ATOM 424 OD1 ASP A 53 9.341 5.833 -2.657 1.00 13.94 O ATOM 425 OD2 ASP A 53 9.505 5.345 -4.775 1.00 18.81 O ATOM 426 N TYR A 54 6.278 9.649 -3.075 1.00 7.70 N ATOM 427 CA TYR A 54 5.463 10.813 -3.384 1.00 8.89 C ATOM 428 C TYR A 54 6.145 12.061 -3.945 1.00 9.02 C ATOM 429 O TYR A 54 7.165 12.541 -3.408 1.00 7.13 O ATOM 430 CB TYR A 54 4.747 11.254 -2.107 1.00 9.07 C ATOM 431 CG TYR A 54 3.782 10.223 -1.555 1.00 10.24 C ATOM 432 CD1 TYR A 54 4.219 9.236 -0.651 1.00 7.18 C ATOM 433 CD2 TYR A 54 2.417 10.280 -1.878 1.00 7.23 C ATOM 434 CE1 TYR A 54 3.310 8.345 -0.069 1.00 6.22 C ATOM 435 CE2 TYR A 54 1.502 9.399 -1.302 1.00 7.16 C ATOM 436 CZ TYR A 54 1.954 8.441 -0.394 1.00 7.29 C ATOM 437 OH TYR A 54 1.036 7.631 0.240 1.00 9.29 O ATOM 438 N GLY A 55 5.498 12.616 -4.965 1.00 9.03 N ATOM 439 CA GLY A 55 5.936 13.860 -5.559 1.00 9.76 C ATOM 440 C GLY A 55 7.165 13.921 -6.415 1.00 10.39 C ATOM 441 O GLY A 55 7.764 12.905 -6.827 1.00 7.00 O ATOM 442 N THR A 56 7.538 15.178 -6.647 1.00 9.33 N ATOM 443 CA THR A 56 8.686 15.569 -7.475 1.00 11.71 C ATOM 444 C THR A 56 9.992 14.765 -7.206 1.00 10.40 C ATOM 445 O THR A 56 10.655 14.284 -8.155 1.00 9.50 O ATOM 446 CB THR A 56 8.960 17.117 -7.264 1.00 11.64 C ATOM 447 OG1 THR A 56 7.784 17.862 -7.622 1.00 16.16 O ATOM 448 CG2 THR A 56 10.155 17.590 -8.096 1.00 15.56 C ATOM 449 N PHE A 57 10.346 14.652 -5.921 1.00 9.11 N ATOM 450 CA PHE A 57 11.572 13.972 -5.487 1.00 10.72 C ATOM 451 C PHE A 57 11.321 12.518 -5.080 1.00 9.56 C ATOM 452 O PHE A 57 12.227 11.830 -4.576 1.00 10.93 O ATOM 453 CB PHE A 57 12.230 14.774 -4.340 1.00 11.51 C ATOM 454 CG PHE A 57 12.650 16.181 -4.745 1.00 14.05 C ATOM 455 CD1 PHE A 57 13.579 16.376 -5.770 1.00 13.41 C ATOM 456 CD2 PHE A 57 12.058 17.302 -4.151 1.00 13.89 C ATOM 457 CE1 PHE A 57 13.907 17.631 -6.205 1.00 13.73 C ATOM 458 CE2 PHE A 57 12.391 18.584 -4.590 1.00 16.19 C ATOM 459 CZ PHE A 57 13.316 18.742 -5.622 1.00 13.15 C ATOM 460 N GLN A 58 10.079 12.081 -5.266 1.00 9.32 N ATOM 461 CA GLN A 58 9.680 10.719 -4.952 1.00 8.37 C ATOM 462 C GLN A 58 10.160 10.295 -3.567 1.00 9.88 C ATOM 463 O GLN A 58 10.927 9.350 -3.400 1.00 10.99 O ATOM 464 CB GLN A 58 10.197 9.790 -6.049 1.00 8.76 C ATOM 465 CG GLN A 58 9.419 9.923 -7.347 1.00 9.70 C ATOM 466 CD GLN A 58 8.033 9.314 -7.256 1.00 9.41 C ATOM 467 OE1 GLN A 58 7.877 8.109 -7.390 1.00 11.21 O ATOM 468 NE2 GLN A 58 7.018 10.142 -7.017 1.00 12.69 N ATOM 469 N ILE A 59 9.700 11.038 -2.566 1.00 9.32 N ATOM 470 CA ILE A 59 10.054 10.783 -1.179 1.00 9.45 C ATOM 471 C ILE A 59 9.212 9.624 -0.583 1.00 9.82 C ATOM 472 O ILE A 59 7.987 9.546 -0.758 1.00 6.93 O ATOM 473 CB ILE A 59 9.978 12.113 -0.399 1.00 12.65 C ATOM 474 CG1 ILE A 59 11.093 13.018 -0.958 1.00 13.75 C ATOM 475 CG2 ILE A 59 10.111 11.898 1.106 1.00 11.74 C ATOM 476 CD1 ILE A 59 11.151 14.391 -0.355 1.00 9.84 C ATOM 477 N ASN A 60 9.919 8.732 0.109 1.00 9.39 N ATOM 478 CA ASN A 60 9.361 7.502 0.690 1.00 9.76 C ATOM 479 C ASN A 60 8.533 7.588 1.981 1.00 8.49 C ATOM 480 O ASN A 60 8.940 8.236 2.964 1.00 10.28 O ATOM 481 CB ASN A 60 10.511 6.499 0.833 1.00 13.43 C ATOM 482 CG ASN A 60 10.240 5.451 1.863 1.00 20.80 C ATOM 483 OD1 ASN A 60 10.435 5.670 3.077 1.00 27.38 O ATOM 484 ND2 ASN A 60 9.722 4.334 1.420 1.00 21.87 N ATOM 485 N SER A 61 7.395 6.892 1.986 1.00 9.15 N ATOM 486 CA SER A 61 6.482 6.860 3.138 1.00 10.24 C ATOM 487 C SER A 61 6.952 5.994 4.326 1.00 13.92 C ATOM 488 O SER A 61 6.296 5.967 5.373 1.00 14.19 O ATOM 489 CB SER A 61 5.085 6.398 2.697 1.00 10.21 C ATOM 490 OG SER A 61 5.137 5.049 2.266 1.00 9.46 O ATOM 491 N ARG A 62 8.038 5.232 4.159 1.00 15.61 N ATOM 492 CA ARG A 62 8.544 4.416 5.268 1.00 15.98 C ATOM 493 C ARG A 62 9.307 5.270 6.291 1.00 14.84 C ATOM 494 O ARG A 62 9.200 5.060 7.497 1.00 13.80 O ATOM 495 CB ARG A 62 9.480 3.311 4.752 1.00 20.01 C ATOM 496 CG ARG A 62 9.254 1.973 5.452 1.00 31.76 C ATOM 497 CD ARG A 62 10.405 1.482 6.294 1.00 36.09 C ATOM 498 NE ARG A 62 10.510 2.183 7.574 1.00 47.73 N ATOM 499 CZ ARG A 62 11.060 1.660 8.671 1.00 49.51 C ATOM 500 NH1 ARG A 62 11.546 0.419 8.641 1.00 48.48 N ATOM 501 NH2 ARG A 62 11.193 2.404 9.776 1.00 48.75 N ATOM 502 N TYR A 63 10.067 6.245 5.805 1.00 13.51 N ATOM 503 CA TYR A 63 10.866 7.056 6.717 1.00 18.15 C ATOM 504 C TYR A 63 10.677 8.553 6.702 1.00 16.74 C ATOM 505 O TYR A 63 11.046 9.243 7.671 1.00 17.86 O ATOM 506 CB TYR A 63 12.364 6.842 6.470 1.00 22.24 C ATOM 507 CG TYR A 63 12.785 5.426 6.223 1.00 31.32 C ATOM 508 CD1 TYR A 63 13.118 4.587 7.279 1.00 33.80 C ATOM 509 CD2 TYR A 63 12.882 4.929 4.915 1.00 29.86 C ATOM 510 CE1 TYR A 63 13.544 3.289 7.049 1.00 34.51 C ATOM 511 CE2 TYR A 63 13.309 3.621 4.670 1.00 34.10 C ATOM 512 CZ TYR A 63 13.644 2.808 5.745 1.00 35.93 C ATOM 513 OH TYR A 63 14.108 1.527 5.523 1.00 41.40 O ATOM 514 N TRP A 64 10.151 9.091 5.613 1.00 12.99 N ATOM 515 CA TRP A 64 10.094 10.547 5.563 1.00 12.20 C ATOM 516 C TRP A 64 8.749 11.220 5.813 1.00 11.86 C ATOM 517 O TRP A 64 8.670 12.217 6.538 1.00 10.92 O ATOM 518 CB TRP A 64 10.724 11.006 4.250 1.00 11.02 C ATOM 519 CG TRP A 64 12.070 10.421 4.094 1.00 8.36 C ATOM 520 CD1 TRP A 64 12.438 9.407 3.248 1.00 11.56 C ATOM 521 CD2 TRP A 64 13.247 10.771 4.843 1.00 10.59 C ATOM 522 NE1 TRP A 64 13.775 9.104 3.421 1.00 14.20 N ATOM 523 CE2 TRP A 64 14.300 9.924 4.389 1.00 12.40 C ATOM 524 CE3 TRP A 64 13.519 11.710 5.860 1.00 7.34 C ATOM 525 CZ2 TRP A 64 15.612 9.997 4.918 1.00 10.36 C ATOM 526 CZ3 TRP A 64 14.830 11.777 6.386 1.00 11.54 C ATOM 527 CH2 TRP A 64 15.852 10.929 5.912 1.00 12.51 C ATOM 528 N CYS A 65 7.694 10.662 5.238 1.00 10.83 N ATOM 529 CA CYS A 65 6.387 11.250 5.439 1.00 9.58 C ATOM 530 C CYS A 65 5.403 10.179 5.871 1.00 10.40 C ATOM 531 O CYS A 65 5.652 8.980 5.682 1.00 13.55 O ATOM 532 CB CYS A 65 5.906 11.967 4.164 1.00 7.92 C ATOM 533 SG CYS A 65 5.637 10.924 2.692 1.00 11.46 S ATOM 534 N ASN A 66 4.295 10.618 6.459 1.00 10.81 N ATOM 535 CA ASN A 66 3.260 9.706 6.944 1.00 12.00 C ATOM 536 C ASN A 66 2.025 9.603 6.036 1.00 10.32 C ATOM 537 O ASN A 66 1.425 10.610 5.678 1.00 6.98 O ATOM 538 CB ASN A 66 2.845 10.163 8.341 1.00 14.80 C ATOM 539 CG ASN A 66 1.749 9.326 8.914 1.00 19.80 C ATOM 540 OD1 ASN A 66 1.810 8.103 8.886 1.00 19.73 O ATOM 541 ND2 ASN A 66 0.722 9.980 9.423 1.00 25.97 N ATOM 542 N ASP A 67 1.696 8.390 5.604 1.00 10.31 N ATOM 543 CA ASP A 67 0.484 8.176 4.781 1.00 9.64 C ATOM 544 C ASP A 67 -0.517 7.242 5.529 1.00 8.46 C ATOM 545 O ASP A 67 -1.614 6.987 5.084 1.00 10.88 O ATOM 546 CB ASP A 67 0.814 7.704 3.336 1.00 8.95 C ATOM 547 CG ASP A 67 1.422 6.263 3.252 1.00 7.67 C ATOM 548 OD1 ASP A 67 1.469 5.499 4.251 1.00 10.38 O ATOM 549 OD2 ASP A 67 1.820 5.897 2.125 1.00 9.76 O ATOM 550 N GLY A 68 -0.135 6.831 6.726 1.00 11.13 N ATOM 551 CA GLY A 68 -0.978 5.995 7.557 1.00 12.15 C ATOM 552 C GLY A 68 -1.099 4.529 7.182 1.00 14.91 C ATOM 553 O GLY A 68 -1.734 3.775 7.922 1.00 16.18 O ATOM 554 N LYS A 69 -0.507 4.104 6.069 1.00 11.52 N ATOM 555 CA LYS A 69 -0.628 2.702 5.647 1.00 14.32 C ATOM 556 C LYS A 69 0.703 1.979 5.427 1.00 13.15 C ATOM 557 O LYS A 69 0.728 0.872 4.896 1.00 15.41 O ATOM 558 CB LYS A 69 -1.476 2.598 4.370 1.00 15.71 C ATOM 559 CG LYS A 69 -0.886 3.323 3.188 1.00 18.74 C ATOM 560 CD LYS A 69 -1.736 3.135 1.976 1.00 17.87 C ATOM 561 CE LYS A 69 -1.182 3.940 0.795 1.00 24.78 C ATOM 562 NZ LYS A 69 -2.117 3.951 -0.384 1.00 35.66 N ATOM 563 N THR A 70 1.803 2.595 5.829 1.00 9.90 N ATOM 564 CA THR A 70 3.099 1.962 5.624 1.00 13.12 C ATOM 565 C THR A 70 3.617 1.425 6.958 1.00 13.39 C ATOM 566 O THR A 70 3.750 2.167 7.936 1.00 15.33 O ATOM 567 CB THR A 70 4.087 2.983 4.974 1.00 12.11 C ATOM 568 OG1 THR A 70 3.497 3.510 3.767 1.00 10.49 O ATOM 569 CG2 THR A 70 5.434 2.343 4.656 1.00 9.94 C ATOM 570 N PRO A 71 3.870 0.113 7.038 1.00 13.24 N ATOM 571 CA PRO A 71 4.371 -0.471 8.292 1.00 15.73 C ATOM 572 C PRO A 71 5.730 0.111 8.719 1.00 15.88 C ATOM 573 O PRO A 71 6.633 0.289 7.906 1.00 16.88 O ATOM 574 CB PRO A 71 4.487 -1.974 7.964 1.00 13.63 C ATOM 575 CG PRO A 71 3.526 -2.179 6.834 1.00 17.72 C ATOM 576 CD PRO A 71 3.686 -0.909 5.998 1.00 15.83 C ATOM 577 N GLY A 72 5.854 0.425 10.001 1.00 20.27 N ATOM 578 CA GLY A 72 7.095 0.965 10.529 1.00 24.39 C ATOM 579 C GLY A 72 7.487 2.362 10.087 1.00 24.90 C ATOM 580 O GLY A 72 8.644 2.739 10.220 1.00 28.06 O ATOM 581 N ALA A 73 6.535 3.131 9.572 1.00 24.65 N ATOM 582 CA ALA A 73 6.809 4.492 9.125 1.00 24.18 C ATOM 583 C ALA A 73 7.435 5.297 10.265 1.00 25.13 C ATOM 584 O ALA A 73 7.068 5.128 11.435 1.00 23.66 O ATOM 585 CB ALA A 73 5.525 5.165 8.661 1.00 21.86 C ATOM 586 N VAL A 74 8.369 6.177 9.927 1.00 24.79 N ATOM 587 CA VAL A 74 9.046 7.010 10.915 1.00 26.27 C ATOM 588 C VAL A 74 8.593 8.486 10.906 1.00 26.60 C ATOM 589 O VAL A 74 8.536 9.146 11.952 1.00 31.61 O ATOM 590 CB VAL A 74 10.572 6.920 10.702 1.00 28.18 C ATOM 591 CG1 VAL A 74 11.294 8.025 11.454 1.00 33.66 C ATOM 592 CG2 VAL A 74 11.083 5.550 11.130 1.00 36.30 C ATOM 593 N ASN A 75 8.251 8.986 9.726 1.00 22.39 N ATOM 594 CA ASN A 75 7.833 10.382 9.547 1.00 18.47 C ATOM 595 C ASN A 75 8.902 11.412 9.988 1.00 14.91 C ATOM 596 O ASN A 75 8.606 12.383 10.676 1.00 14.97 O ATOM 597 CB ASN A 75 6.510 10.680 10.255 1.00 19.12 C ATOM 598 CG ASN A 75 5.872 11.971 9.747 1.00 15.12 C ATOM 599 OD1 ASN A 75 6.289 12.517 8.719 1.00 18.60 O ATOM 600 ND2 ASN A 75 4.855 12.449 10.444 1.00 15.77 N ATOM 601 N ALA A 76 10.128 11.227 9.511 1.00 13.65 N ATOM 602 CA ALA A 76 11.230 12.095 9.867 1.00 12.26 C ATOM 603 C ALA A 76 10.986 13.542 9.453 1.00 14.28 C ATOM 604 O ALA A 76 11.465 14.473 10.116 1.00 16.39 O ATOM 605 CB ALA A 76 12.522 11.567 9.257 1.00 12.64 C ATOM 606 N CYS A 77 10.235 13.764 8.377 1.00 14.55 N ATOM 607 CA CYS A 77 9.977 15.149 7.961 1.00 16.20 C ATOM 608 C CYS A 77 8.797 15.781 8.686 1.00 16.15 C ATOM 609 O CYS A 77 8.494 16.974 8.490 1.00 13.21 O ATOM 610 CB CYS A 77 9.711 15.231 6.473 1.00 14.64 C ATOM 611 SG CYS A 77 11.145 14.914 5.516 1.00 13.28 S ATOM 612 N HIS A 78 8.113 14.950 9.470 1.00 17.02 N ATOM 613 CA HIS A 78 6.945 15.346 10.221 1.00 18.00 C ATOM 614 C HIS A 78 5.930 16.045 9.323 1.00 15.58 C ATOM 615 O HIS A 78 5.391 17.121 9.623 1.00 15.40 O ATOM 616 CB HIS A 78 7.392 16.127 11.455 1.00 26.93 C ATOM 617 CG HIS A 78 8.219 15.281 12.373 1.00 38.65 C ATOM 618 ND1 HIS A 78 9.593 15.398 12.458 1.00 42.09 N ATOM 619 CD2 HIS A 78 7.889 14.180 13.099 1.00 44.24 C ATOM 620 CE1 HIS A 78 10.074 14.399 13.184 1.00 47.07 C ATOM 621 NE2 HIS A 78 9.061 13.645 13.582 1.00 49.47 N ATOM 622 N LEU A 79 5.589 15.318 8.264 1.00 12.21 N ATOM 623 CA LEU A 79 4.688 15.805 7.248 1.00 15.39 C ATOM 624 C LEU A 79 3.771 14.704 6.789 1.00 11.59 C ATOM 625 O LEU A 79 4.147 13.548 6.771 1.00 12.76 O ATOM 626 CB LEU A 79 5.503 16.200 6.003 1.00 17.02 C ATOM 627 CG LEU A 79 6.021 17.592 5.718 1.00 21.15 C ATOM 628 CD1 LEU A 79 6.821 17.556 4.424 1.00 16.17 C ATOM 629 CD2 LEU A 79 4.833 18.520 5.579 1.00 19.69 C ATOM 630 N SER A 80 2.563 15.082 6.405 1.00 10.78 N ATOM 631 CA SER A 80 1.647 14.127 5.813 1.00 10.50 C ATOM 632 C SER A 80 2.182 13.982 4.380 1.00 8.97 C ATOM 633 O SER A 80 2.586 14.981 3.746 1.00 11.58 O ATOM 634 CB SER A 80 0.225 14.709 5.729 1.00 8.67 C ATOM 635 OG SER A 80 -0.588 13.931 4.855 1.00 12.15 O ATOM 636 N CYS A 81 2.100 12.769 3.842 1.00 11.32 N ATOM 637 CA CYS A 81 2.541 12.496 2.477 1.00 8.81 C ATOM 638 C CYS A 81 1.746 13.335 1.488 1.00 8.24 C ATOM 639 O CYS A 81 2.243 13.670 0.406 1.00 7.48 O ATOM 640 CB CYS A 81 2.390 11.001 2.162 1.00 9.37 C ATOM 641 SG CYS A 81 3.626 10.010 3.073 1.00 10.70 S ATOM 642 N SER A 82 0.520 13.680 1.883 1.00 6.02 N ATOM 643 CA SER A 82 -0.328 14.511 1.049 1.00 6.13 C ATOM 644 C SER A 82 0.367 15.836 0.750 1.00 7.00 C ATOM 645 O SER A 82 0.216 16.360 -0.342 1.00 11.15 O ATOM 646 CB SER A 82 -1.655 14.796 1.754 1.00 9.16 C ATOM 647 OG SER A 82 -2.533 15.567 0.943 1.00 16.19 O ATOM 648 N ALA A 83 1.149 16.359 1.702 1.00 8.79 N ATOM 649 CA ALA A 83 1.850 17.641 1.527 1.00 9.38 C ATOM 650 C ALA A 83 2.864 17.669 0.375 1.00 12.70 C ATOM 651 O ALA A 83 3.162 18.738 -0.191 1.00 10.42 O ATOM 652 CB ALA A 83 2.506 18.059 2.812 1.00 8.51 C ATOM 653 N LEU A 84 3.342 16.477 -0.003 1.00 13.57 N ATOM 654 CA LEU A 84 4.308 16.310 -1.087 1.00 13.42 C ATOM 655 C LEU A 84 3.661 16.145 -2.471 1.00 12.12 C ATOM 656 O LEU A 84 4.351 15.867 -3.464 1.00 14.27 O ATOM 657 CB LEU A 84 5.235 15.125 -0.780 1.00 12.70 C ATOM 658 CG LEU A 84 5.850 15.117 0.617 1.00 16.65 C ATOM 659 CD1 LEU A 84 6.582 13.783 0.806 1.00 17.85 C ATOM 660 CD2 LEU A 84 6.766 16.316 0.855 1.00 14.23 C ATOM 661 N LEU A 85 2.338 16.287 -2.548 1.00 9.74 N ATOM 662 CA LEU A 85 1.674 16.189 -3.841 1.00 10.54 C ATOM 663 C LEU A 85 1.090 17.545 -4.322 1.00 12.41 C ATOM 664 O LEU A 85 0.421 17.617 -5.346 1.00 13.79 O ATOM 665 CB LEU A 85 0.607 15.093 -3.796 1.00 13.22 C ATOM 666 CG LEU A 85 1.117 13.654 -3.545 1.00 12.09 C ATOM 667 CD1 LEU A 85 -0.083 12.716 -3.543 1.00 14.01 C ATOM 668 CD2 LEU A 85 2.135 13.206 -4.619 1.00 8.58 C ATOM 669 N GLN A 86 1.406 18.622 -3.597 1.00 11.21 N ATOM 670 CA GLN A 86 0.907 19.976 -3.902 1.00 9.40 C ATOM 671 C GLN A 86 1.663 20.644 -5.032 1.00 11.10 C ATOM 672 O GLN A 86 2.771 20.232 -5.369 1.00 13.55 O ATOM 673 CB GLN A 86 1.032 20.859 -2.663 1.00 9.87 C ATOM 674 CG GLN A 86 0.302 20.348 -1.437 1.00 12.72 C ATOM 675 CD GLN A 86 0.498 21.299 -0.281 1.00 21.04 C ATOM 676 OE1 GLN A 86 -0.324 22.172 -0.042 1.00 26.56 O ATOM 677 NE2 GLN A 86 1.626 21.190 0.390 1.00 16.06 N ATOM 678 N ASP A 87 1.063 21.679 -5.614 1.00 10.55 N ATOM 679 CA ASP A 87 1.685 22.450 -6.695 1.00 8.53 C ATOM 680 C ASP A 87 2.764 23.331 -6.097 1.00 10.56 C ATOM 681 O ASP A 87 3.708 23.691 -6.779 1.00 12.73 O ATOM 682 CB ASP A 87 0.659 23.332 -7.388 1.00 9.25 C ATOM 683 CG ASP A 87 -0.217 22.550 -8.363 1.00 15.71 C ATOM 684 OD1 ASP A 87 -0.068 21.290 -8.474 1.00 18.45 O ATOM 685 OD2 ASP A 87 -1.053 23.208 -9.035 1.00 20.79 O ATOM 686 N ASN A 88 2.560 23.722 -4.840 1.00 8.87 N ATOM 687 CA ASN A 88 3.533 24.510 -4.108 1.00 10.21 C ATOM 688 C ASN A 88 4.553 23.491 -3.557 1.00 13.10 C ATOM 689 O ASN A 88 4.223 22.712 -2.641 1.00 14.10 O ATOM 690 CB ASN A 88 2.846 25.246 -2.959 1.00 9.18 C ATOM 691 CG ASN A 88 3.829 26.047 -2.089 1.00 20.00 C ATOM 692 OD1 ASN A 88 5.021 26.148 -2.388 1.00 19.92 O ATOM 693 ND2 ASN A 88 3.332 26.574 -0.979 1.00 25.20 N ATOM 694 N ILE A 89 5.771 23.479 -4.111 1.00 10.17 N ATOM 695 CA ILE A 89 6.808 22.521 -3.681 1.00 11.70 C ATOM 696 C ILE A 89 7.620 22.875 -2.438 1.00 10.92 C ATOM 697 O ILE A 89 8.565 22.154 -2.084 1.00 11.81 O ATOM 698 CB ILE A 89 7.821 22.201 -4.791 1.00 13.37 C ATOM 699 CG1 ILE A 89 8.534 23.490 -5.238 1.00 10.27 C ATOM 700 CG2 ILE A 89 7.126 21.454 -5.923 1.00 15.29 C ATOM 701 CD1 ILE A 89 9.684 23.223 -6.164 1.00 18.69 C ATOM 702 N ALA A 90 7.219 23.912 -1.722 1.00 8.30 N ATOM 703 CA ALA A 90 7.958 24.303 -0.544 1.00 7.08 C ATOM 704 C ALA A 90 8.123 23.143 0.471 1.00 9.67 C ATOM 705 O ALA A 90 9.217 22.931 1.013 1.00 12.64 O ATOM 706 CB ALA A 90 7.286 25.548 0.109 1.00 7.76 C ATOM 707 N ASP A 91 7.074 22.365 0.728 1.00 10.49 N ATOM 708 CA ASP A 91 7.216 21.250 1.687 1.00 10.59 C ATOM 709 C ASP A 91 8.114 20.124 1.190 1.00 9.98 C ATOM 710 O ASP A 91 8.909 19.561 1.964 1.00 9.83 O ATOM 711 CB ASP A 91 5.857 20.675 2.075 1.00 13.68 C ATOM 712 CG ASP A 91 5.045 21.626 2.931 1.00 19.86 C ATOM 713 OD1 ASP A 91 5.598 22.590 3.522 1.00 17.53 O ATOM 714 OD2 ASP A 91 3.829 21.408 3.001 1.00 21.56 O ATOM 715 N ALA A 92 7.923 19.735 -0.074 1.00 13.31 N ATOM 716 CA ALA A 92 8.744 18.683 -0.694 1.00 10.98 C ATOM 717 C ALA A 92 10.217 19.099 -0.647 1.00 11.31 C ATOM 718 O ALA A 92 11.107 18.257 -0.421 1.00 12.18 O ATOM 719 CB ALA A 92 8.319 18.448 -2.137 1.00 12.16 C ATOM 720 N VAL A 93 10.482 20.389 -0.891 1.00 10.49 N ATOM 721 CA VAL A 93 11.847 20.891 -0.826 1.00 8.01 C ATOM 722 C VAL A 93 12.416 20.816 0.612 1.00 9.89 C ATOM 723 O VAL A 93 13.572 20.423 0.800 1.00 8.76 O ATOM 724 CB VAL A 93 11.965 22.346 -1.401 1.00 6.49 C ATOM 725 CG1 VAL A 93 13.258 22.989 -0.957 1.00 6.34 C ATOM 726 CG2 VAL A 93 11.925 22.305 -2.936 1.00 9.05 C ATOM 727 N ALA A 94 11.632 21.186 1.622 1.00 7.08 N ATOM 728 CA ALA A 94 12.138 21.121 3.002 1.00 9.66 C ATOM 729 C ALA A 94 12.407 19.683 3.403 1.00 6.83 C ATOM 730 O ALA A 94 13.318 19.405 4.163 1.00 7.43 O ATOM 731 CB ALA A 94 11.159 21.763 4.010 1.00 9.24 C ATOM 732 N CYS A 95 11.615 18.770 2.858 1.00 9.08 N ATOM 733 CA CYS A 95 11.754 17.360 3.185 1.00 8.91 C ATOM 734 C CYS A 95 12.960 16.777 2.450 1.00 7.09 C ATOM 735 O CYS A 95 13.715 15.968 3.014 1.00 7.77 O ATOM 736 CB CYS A 95 10.464 16.613 2.829 1.00 10.69 C ATOM 737 SG CYS A 95 10.381 14.870 3.417 1.00 11.29 S ATOM 738 N ALA A 96 13.131 17.159 1.189 1.00 6.34 N ATOM 739 CA ALA A 96 14.274 16.685 0.425 1.00 6.36 C ATOM 740 C ALA A 96 15.589 17.164 1.112 1.00 7.65 C ATOM 741 O ALA A 96 16.602 16.473 1.046 1.00 8.33 O ATOM 742 CB ALA A 96 14.190 17.172 -1.019 1.00 7.40 C ATOM 743 N LYS A 97 15.570 18.334 1.767 1.00 7.20 N ATOM 744 CA LYS A 97 16.759 18.855 2.468 1.00 5.76 C ATOM 745 C LYS A 97 17.088 17.954 3.662 1.00 9.77 C ATOM 746 O LYS A 97 18.246 17.641 3.942 1.00 10.04 O ATOM 747 CB LYS A 97 16.513 20.284 2.957 1.00 6.13 C ATOM 748 CG LYS A 97 16.621 21.344 1.841 1.00 4.89 C ATOM 749 CD LYS A 97 16.210 22.720 2.344 1.00 5.99 C ATOM 750 CE LYS A 97 16.466 23.756 1.279 1.00 4.53 C ATOM 751 NZ LYS A 97 16.184 25.116 1.779 1.00 7.06 N ATOM 752 N ARG A 98 16.030 17.497 4.320 1.00 11.65 N ATOM 753 CA ARG A 98 16.119 16.623 5.473 1.00 12.07 C ATOM 754 C ARG A 98 16.689 15.248 5.082 1.00 10.13 C ATOM 755 O ARG A 98 17.516 14.693 5.795 1.00 13.07 O ATOM 756 CB ARG A 98 14.715 16.548 6.092 1.00 13.25 C ATOM 757 CG ARG A 98 14.530 15.610 7.267 1.00 22.07 C ATOM 758 CD ARG A 98 15.530 15.862 8.363 1.00 27.80 C ATOM 759 NE ARG A 98 15.539 14.754 9.321 1.00 32.75 N ATOM 760 CZ ARG A 98 16.385 13.712 9.290 1.00 35.42 C ATOM 761 NH1 ARG A 98 17.355 13.603 8.347 1.00 27.89 N ATOM 762 NH2 ARG A 98 16.266 12.775 10.242 1.00 37.54 N ATOM 763 N VAL A 99 16.249 14.693 3.962 1.00 9.17 N ATOM 764 CA VAL A 99 16.744 13.394 3.484 1.00 9.86 C ATOM 765 C VAL A 99 18.266 13.449 3.277 1.00 11.17 C ATOM 766 O VAL A 99 18.990 12.586 3.753 1.00 11.41 O ATOM 767 CB VAL A 99 16.085 13.011 2.144 1.00 9.74 C ATOM 768 CG1 VAL A 99 16.763 11.756 1.501 1.00 10.74 C ATOM 769 CG2 VAL A 99 14.608 12.863 2.327 1.00 8.40 C ATOM 770 N VAL A 100 18.746 14.494 2.605 1.00 8.94 N ATOM 771 CA VAL A 100 20.174 14.607 2.334 1.00 12.02 C ATOM 772 C VAL A 100 21.049 14.979 3.541 1.00 16.04 C ATOM 773 O VAL A 100 22.266 15.051 3.435 1.00 19.26 O ATOM 774 CB VAL A 100 20.478 15.534 1.117 1.00 10.54 C ATOM 775 CG1 VAL A 100 19.750 14.989 -0.144 1.00 7.88 C ATOM 776 CG2 VAL A 100 20.131 17.034 1.435 1.00 11.06 C ATOM 777 N ARG A 101 20.437 15.232 4.684 1.00 16.66 N ATOM 778 CA ARG A 101 21.219 15.536 5.862 1.00 18.88 C ATOM 779 C ARG A 101 21.658 14.233 6.566 1.00 25.19 C ATOM 780 O ARG A 101 22.383 14.271 7.561 1.00 29.90 O ATOM 781 CB ARG A 101 20.463 16.490 6.770 1.00 18.06 C ATOM 782 CG ARG A 101 20.256 17.781 6.076 1.00 19.88 C ATOM 783 CD ARG A 101 20.268 18.928 7.028 1.00 22.08 C ATOM 784 NE ARG A 101 19.092 18.890 7.876 1.00 29.04 N ATOM 785 CZ ARG A 101 17.883 19.317 7.509 1.00 32.56 C ATOM 786 NH1 ARG A 101 17.656 19.822 6.297 1.00 34.83 N ATOM 787 NH2 ARG A 101 16.886 19.240 8.371 1.00 29.62 N ATOM 788 N ASP A 102 21.212 13.091 6.034 1.00 24.84 N ATOM 789 CA ASP A 102 21.607 11.774 6.527 1.00 25.65 C ATOM 790 C ASP A 102 22.988 11.470 5.922 1.00 29.53 C ATOM 791 O ASP A 102 23.372 12.107 4.938 1.00 27.96 O ATOM 792 CB ASP A 102 20.628 10.725 6.034 1.00 30.82 C ATOM 793 CG ASP A 102 19.509 10.471 7.007 1.00 36.99 C ATOM 794 OD1 ASP A 102 19.230 11.338 7.876 1.00 38.91 O ATOM 795 OD2 ASP A 102 18.901 9.386 6.888 1.00 43.10 O ATOM 796 N PRO A 103 23.711 10.443 6.438 1.00 33.96 N ATOM 797 CA PRO A 103 25.053 10.058 5.953 1.00 35.18 C ATOM 798 C PRO A 103 25.266 9.921 4.435 1.00 33.33 C ATOM 799 O PRO A 103 26.243 10.429 3.891 1.00 34.86 O ATOM 800 CB PRO A 103 25.312 8.725 6.678 1.00 36.17 C ATOM 801 CG PRO A 103 23.931 8.204 7.000 1.00 38.41 C ATOM 802 CD PRO A 103 23.233 9.465 7.433 1.00 37.31 C ATOM 803 N GLN A 104 24.347 9.227 3.770 1.00 28.18 N ATOM 804 CA GLN A 104 24.386 8.974 2.319 1.00 26.51 C ATOM 805 C GLN A 104 24.207 10.201 1.398 1.00 24.54 C ATOM 806 O GLN A 104 24.632 10.164 0.235 1.00 22.32 O ATOM 807 CB GLN A 104 23.363 7.879 1.916 1.00 32.29 C ATOM 808 CG GLN A 104 22.594 7.207 3.065 1.00 46.32 C ATOM 809 CD GLN A 104 21.622 8.147 3.810 1.00 56.80 C ATOM 810 OE1 GLN A 104 21.339 9.272 3.371 1.00 61.63 O ATOM 811 NE2 GLN A 104 21.128 7.686 4.954 1.00 59.72 N ATOM 812 N GLY A 105 23.551 11.257 1.885 1.00 17.53 N ATOM 813 CA GLY A 105 23.353 12.443 1.069 1.00 14.04 C ATOM 814 C GLY A 105 22.449 12.185 -0.131 1.00 11.77 C ATOM 815 O GLY A 105 21.444 11.494 -0.023 1.00 15.22 O ATOM 816 N ILE A 106 22.824 12.729 -1.287 1.00 13.57 N ATOM 817 CA ILE A 106 22.046 12.580 -2.521 1.00 14.00 C ATOM 818 C ILE A 106 22.028 11.110 -3.021 1.00 15.11 C ATOM 819 O ILE A 106 21.135 10.686 -3.766 1.00 11.72 O ATOM 820 CB ILE A 106 22.595 13.577 -3.622 1.00 13.87 C ATOM 821 CG1 ILE A 106 21.769 13.503 -4.909 1.00 17.02 C ATOM 822 CG2 ILE A 106 24.087 13.334 -3.928 1.00 16.68 C ATOM 823 CD1 ILE A 106 20.430 14.119 -4.770 1.00 16.56 C ATOM 824 N ARG A 107 23.005 10.330 -2.561 1.00 16.41 N ATOM 825 CA ARG A 107 23.125 8.926 -2.930 1.00 18.57 C ATOM 826 C ARG A 107 21.994 8.107 -2.403 1.00 18.36 C ATOM 827 O ARG A 107 21.868 6.953 -2.752 1.00 18.25 O ATOM 828 CB ARG A 107 24.454 8.334 -2.447 1.00 21.84 C ATOM 829 CG ARG A 107 25.561 8.477 -3.495 1.00 26.39 C ATOM 830 CD ARG A 107 26.888 7.866 -3.049 1.00 31.67 C ATOM 831 NE ARG A 107 26.823 6.421 -2.901 1.00 35.23 N ATOM 832 CZ ARG A 107 27.586 5.572 -3.575 1.00 36.62 C ATOM 833 NH1 ARG A 107 28.480 6.001 -4.457 1.00 38.03 N ATOM 834 NH2 ARG A 107 27.462 4.286 -3.344 1.00 37.61 N ATOM 835 N ALA A 108 21.189 8.691 -1.531 1.00 16.14 N ATOM 836 CA ALA A 108 20.042 7.976 -0.985 1.00 15.73 C ATOM 837 C ALA A 108 19.114 7.539 -2.117 1.00 16.46 C ATOM 838 O ALA A 108 18.383 6.560 -1.987 1.00 19.98 O ATOM 839 CB ALA A 108 19.301 8.856 0.007 1.00 16.02 C ATOM 840 N TRP A 109 19.175 8.262 -3.237 1.00 13.98 N ATOM 841 CA TRP A 109 18.350 8.009 -4.410 1.00 10.39 C ATOM 842 C TRP A 109 19.137 7.213 -5.404 1.00 8.83 C ATOM 843 O TRP A 109 20.025 7.730 -6.046 1.00 10.66 O ATOM 844 CB TRP A 109 17.898 9.342 -5.047 1.00 10.57 C ATOM 845 CG TRP A 109 16.755 10.024 -4.342 1.00 6.89 C ATOM 846 CD1 TRP A 109 15.431 9.701 -4.444 1.00 11.32 C ATOM 847 CD2 TRP A 109 16.822 11.159 -3.466 1.00 8.51 C ATOM 848 NE1 TRP A 109 14.667 10.570 -3.701 1.00 11.23 N ATOM 849 CE2 TRP A 109 15.490 11.475 -3.088 1.00 10.82 C ATOM 850 CE3 TRP A 109 17.868 11.947 -2.972 1.00 8.72 C ATOM 851 CZ2 TRP A 109 15.181 12.550 -2.238 1.00 12.61 C ATOM 852 CZ3 TRP A 109 17.567 13.011 -2.131 1.00 11.37 C ATOM 853 CH2 TRP A 109 16.230 13.304 -1.774 1.00 14.29 C ATOM 854 N VAL A 110 18.751 5.960 -5.583 1.00 11.54 N ATOM 855 CA VAL A 110 19.450 5.084 -6.515 1.00 15.54 C ATOM 856 C VAL A 110 19.469 5.678 -7.908 1.00 12.35 C ATOM 857 O VAL A 110 20.477 5.582 -8.608 1.00 13.11 O ATOM 858 CB VAL A 110 18.817 3.675 -6.590 1.00 17.74 C ATOM 859 CG1 VAL A 110 19.776 2.714 -7.294 1.00 16.91 C ATOM 860 CG2 VAL A 110 18.462 3.183 -5.196 1.00 24.18 C ATOM 861 N ALA A 111 18.344 6.269 -8.310 1.00 12.15 N ATOM 862 CA ALA A 111 18.225 6.908 -9.620 1.00 10.96 C ATOM 863 C ALA A 111 19.289 7.977 -9.836 1.00 9.07 C ATOM 864 O ALA A 111 19.708 8.181 -10.968 1.00 11.60 O ATOM 865 CB ALA A 111 16.831 7.511 -9.810 1.00 14.83 C ATOM 866 N TRP A 112 19.695 8.671 -8.764 1.00 11.06 N ATOM 867 CA TRP A 112 20.757 9.691 -8.847 1.00 9.09 C ATOM 868 C TRP A 112 22.074 8.987 -9.246 1.00 10.13 C ATOM 869 O TRP A 112 22.799 9.435 -10.154 1.00 9.69 O ATOM 870 CB TRP A 112 20.953 10.438 -7.522 1.00 8.55 C ATOM 871 CG TRP A 112 22.034 11.497 -7.686 1.00 11.12 C ATOM 872 CD1 TRP A 112 21.910 12.700 -8.342 1.00 9.44 C ATOM 873 CD2 TRP A 112 23.434 11.386 -7.329 1.00 12.99 C ATOM 874 NE1 TRP A 112 23.139 13.327 -8.434 1.00 10.05 N ATOM 875 CE2 TRP A 112 24.089 12.553 -7.824 1.00 11.38 C ATOM 876 CE3 TRP A 112 24.200 10.419 -6.647 1.00 13.89 C ATOM 877 CZ2 TRP A 112 25.466 12.770 -7.660 1.00 10.98 C ATOM 878 CZ3 TRP A 112 25.575 10.645 -6.484 1.00 12.46 C ATOM 879 CH2 TRP A 112 26.188 11.808 -6.990 1.00 10.45 C ATOM 880 N ARG A 113 22.362 7.884 -8.553 1.00 9.39 N ATOM 881 CA ARG A 113 23.524 7.042 -8.823 1.00 10.44 C ATOM 882 C ARG A 113 23.527 6.516 -10.263 1.00 9.89 C ATOM 883 O ARG A 113 24.542 6.560 -10.933 1.00 11.77 O ATOM 884 CB ARG A 113 23.537 5.871 -7.851 1.00 12.49 C ATOM 885 CG ARG A 113 23.978 6.252 -6.479 1.00 16.64 C ATOM 886 CD ARG A 113 22.996 5.819 -5.465 1.00 27.87 C ATOM 887 NE ARG A 113 22.993 4.378 -5.296 1.00 38.71 N ATOM 888 CZ ARG A 113 22.852 3.776 -4.122 1.00 44.90 C ATOM 889 NH1 ARG A 113 22.707 4.493 -3.015 1.00 44.89 N ATOM 890 NH2 ARG A 113 22.864 2.453 -4.050 1.00 44.80 N ATOM 891 N ASN A 114 22.375 6.084 -10.761 1.00 10.40 N ATOM 892 CA ASN A 114 22.285 5.544 -12.122 1.00 12.34 C ATOM 893 C ASN A 114 22.305 6.538 -13.261 1.00 14.09 C ATOM 894 O ASN A 114 22.927 6.291 -14.286 1.00 13.90 O ATOM 895 CB ASN A 114 21.001 4.720 -12.291 1.00 10.98 C ATOM 896 CG ASN A 114 20.950 3.522 -11.364 1.00 18.06 C ATOM 897 OD1 ASN A 114 21.969 3.094 -10.832 1.00 24.05 O ATOM 898 ND2 ASN A 114 19.757 2.985 -11.157 1.00 22.00 N ATOM 899 N ARG A 115 21.612 7.665 -13.074 1.00 12.42 N ATOM 900 CA ARG A 115 21.448 8.629 -14.147 1.00 12.49 C ATOM 901 C ARG A 115 22.050 10.003 -14.016 1.00 11.47 C ATOM 902 O ARG A 115 21.922 10.801 -14.960 1.00 13.97 O ATOM 903 CB ARG A 115 19.951 8.762 -14.485 1.00 15.21 C ATOM 904 CG ARG A 115 19.128 7.610 -13.931 1.00 22.62 C ATOM 905 CD ARG A 115 17.926 7.260 -14.755 1.00 31.25 C ATOM 906 NE ARG A 115 18.242 6.939 -16.146 1.00 30.78 N ATOM 907 CZ ARG A 115 17.535 6.093 -16.893 1.00 30.47 C ATOM 908 NH1 ARG A 115 16.524 5.412 -16.366 1.00 32.38 N ATOM 909 NH2 ARG A 115 17.878 5.884 -18.157 1.00 34.19 N ATOM 910 N CYS A 116 22.729 10.283 -12.905 1.00 10.18 N ATOM 911 CA CYS A 116 23.323 11.620 -12.704 1.00 11.25 C ATOM 912 C CYS A 116 24.807 11.629 -12.288 1.00 12.85 C ATOM 913 O CYS A 116 25.630 12.354 -12.856 1.00 11.73 O ATOM 914 CB CYS A 116 22.526 12.393 -11.642 1.00 8.92 C ATOM 915 SG CYS A 116 20.680 12.388 -11.842 1.00 11.89 S ATOM 916 N GLN A 117 25.108 10.817 -11.271 1.00 14.88 N ATOM 917 CA GLN A 117 26.429 10.704 -10.697 1.00 14.09 C ATOM 918 C GLN A 117 27.447 10.476 -11.749 1.00 14.39 C ATOM 919 O GLN A 117 27.304 9.596 -12.557 1.00 13.09 O ATOM 920 CB GLN A 117 26.473 9.541 -9.728 1.00 14.83 C ATOM 921 CG GLN A 117 27.832 9.373 -9.053 1.00 22.20 C ATOM 922 CD GLN A 117 27.912 8.148 -8.131 1.00 27.50 C ATOM 923 OE1 GLN A 117 28.474 8.224 -7.038 1.00 33.21 O ATOM 924 NE2 GLN A 117 27.371 7.020 -8.579 1.00 28.65 N ATOM 925 N ASN A 118 28.487 11.289 -11.724 1.00 19.02 N ATOM 926 CA ASN A 118 29.598 11.197 -12.679 1.00 23.49 C ATOM 927 C ASN A 118 29.198 11.470 -14.130 1.00 23.04 C ATOM 928 O ASN A 118 29.872 11.009 -15.061 1.00 28.20 O ATOM 929 CB ASN A 118 30.302 9.819 -12.593 1.00 32.43 C ATOM 930 CG ASN A 118 30.815 9.475 -11.185 1.00 37.09 C ATOM 931 OD1 ASN A 118 30.801 8.304 -10.784 1.00 44.64 O ATOM 932 ND2 ASN A 118 31.283 10.479 -10.445 1.00 34.28 N ATOM 933 N ARG A 119 28.080 12.158 -14.335 1.00 17.65 N ATOM 934 CA ARG A 119 27.645 12.491 -15.685 1.00 18.88 C ATOM 935 C ARG A 119 27.711 13.998 -15.961 1.00 21.80 C ATOM 936 O ARG A 119 27.955 14.789 -15.057 1.00 22.09 O ATOM 937 CB ARG A 119 26.242 11.974 -15.906 1.00 14.16 C ATOM 938 CG ARG A 119 26.172 10.497 -15.645 1.00 20.75 C ATOM 939 CD ARG A 119 24.963 9.846 -16.318 1.00 24.41 C ATOM 940 NE ARG A 119 24.759 8.433 -15.969 1.00 27.07 N ATOM 941 CZ ARG A 119 24.457 7.483 -16.855 1.00 27.01 C ATOM 942 NH1 ARG A 119 24.397 7.779 -18.141 1.00 29.18 N ATOM 943 NH2 ARG A 119 24.266 6.231 -16.472 1.00 28.76 N ATOM 944 N ASP A 120 27.555 14.386 -17.221 1.00 24.59 N ATOM 945 CA ASP A 120 27.550 15.798 -17.591 1.00 25.83 C ATOM 946 C ASP A 120 26.096 16.200 -17.372 1.00 25.03 C ATOM 947 O ASP A 120 25.229 15.848 -18.154 1.00 25.15 O ATOM 948 CB ASP A 120 27.958 15.980 -19.070 1.00 27.26 C ATOM 949 CG ASP A 120 28.015 17.447 -19.504 1.00 31.84 C ATOM 950 OD1 ASP A 120 27.755 18.345 -18.678 1.00 30.91 O ATOM 951 OD2 ASP A 120 28.323 17.693 -20.690 1.00 34.93 O ATOM 952 N VAL A 121 25.830 16.863 -16.256 1.00 22.98 N ATOM 953 CA VAL A 121 24.479 17.284 -15.911 1.00 19.23 C ATOM 954 C VAL A 121 24.251 18.772 -16.110 1.00 18.49 C ATOM 955 O VAL A 121 23.276 19.338 -15.607 1.00 14.82 O ATOM 956 CB VAL A 121 24.156 16.928 -14.448 1.00 16.59 C ATOM 957 CG1 VAL A 121 24.211 15.417 -14.252 1.00 17.04 C ATOM 958 CG2 VAL A 121 25.127 17.638 -13.507 1.00 17.88 C ATOM 959 N ARG A 122 25.149 19.404 -16.855 1.00 20.52 N ATOM 960 CA ARG A 122 25.061 20.840 -17.111 1.00 25.49 C ATOM 961 C ARG A 122 23.766 21.153 -17.830 1.00 20.30 C ATOM 962 O ARG A 122 23.114 22.162 -17.547 1.00 19.21 O ATOM 963 CB ARG A 122 26.250 21.316 -17.963 1.00 33.80 C ATOM 964 CG ARG A 122 26.262 22.814 -18.260 1.00 49.23 C ATOM 965 CD ARG A 122 26.961 23.137 -19.587 1.00 58.47 C ATOM 966 NE ARG A 122 28.406 23.325 -19.464 1.00 67.87 N ATOM 967 CZ ARG A 122 28.997 24.498 -19.242 1.00 70.70 C ATOM 968 NH1 ARG A 122 28.268 25.599 -19.110 1.00 70.25 N ATOM 969 NH2 ARG A 122 30.323 24.575 -19.180 1.00 73.99 N ATOM 970 N GLN A 123 23.362 20.245 -18.712 1.00 18.63 N ATOM 971 CA GLN A 123 22.157 20.441 -19.496 1.00 21.47 C ATOM 972 C GLN A 123 20.855 20.645 -18.729 1.00 19.64 C ATOM 973 O GLN A 123 19.916 21.242 -19.250 1.00 17.24 O ATOM 974 CB GLN A 123 22.013 19.377 -20.589 1.00 29.44 C ATOM 975 CG GLN A 123 22.749 18.084 -20.350 1.00 37.32 C ATOM 976 CD GLN A 123 21.938 17.101 -19.581 1.00 38.94 C ATOM 977 OE1 GLN A 123 22.055 17.019 -18.369 1.00 42.87 O ATOM 978 NE2 GLN A 123 21.095 16.352 -20.274 1.00 42.11 N ATOM 979 N TYR A 124 20.833 20.233 -17.469 1.00 16.85 N ATOM 980 CA TYR A 124 19.639 20.386 -16.666 1.00 14.89 C ATOM 981 C TYR A 124 19.423 21.841 -16.280 1.00 14.87 C ATOM 982 O TYR A 124 18.290 22.267 -16.139 1.00 15.93 O ATOM 983 CB TYR A 124 19.709 19.492 -15.418 1.00 14.13 C ATOM 984 CG TYR A 124 19.696 18.003 -15.775 1.00 20.89 C ATOM 985 CD1 TYR A 124 18.518 17.376 -16.218 1.00 19.94 C ATOM 986 CD2 TYR A 124 20.866 17.244 -15.756 1.00 18.16 C ATOM 987 CE1 TYR A 124 18.508 16.036 -16.641 1.00 18.53 C ATOM 988 CE2 TYR A 124 20.865 15.898 -16.183 1.00 17.03 C ATOM 989 CZ TYR A 124 19.678 15.305 -16.627 1.00 15.80 C ATOM 990 OH TYR A 124 19.676 13.997 -17.083 1.00 21.18 O ATOM 991 N VAL A 125 20.510 22.608 -16.186 1.00 14.28 N ATOM 992 CA VAL A 125 20.447 24.012 -15.761 1.00 14.63 C ATOM 993 C VAL A 125 20.764 25.018 -16.895 1.00 18.31 C ATOM 994 O VAL A 125 20.569 26.251 -16.758 1.00 17.45 O ATOM 995 CB VAL A 125 21.373 24.199 -14.520 1.00 13.69 C ATOM 996 CG1 VAL A 125 21.621 25.624 -14.221 1.00 25.40 C ATOM 997 CG2 VAL A 125 20.694 23.606 -13.305 1.00 11.17 C ATOM 998 N GLN A 126 21.154 24.476 -18.040 1.00 16.45 N ATOM 999 CA GLN A 126 21.510 25.297 -19.188 1.00 23.69 C ATOM 1000 C GLN A 126 20.432 26.229 -19.723 1.00 17.97 C ATOM 1001 O GLN A 126 19.361 25.787 -20.112 1.00 21.12 O ATOM 1002 CB GLN A 126 22.040 24.424 -20.329 1.00 31.19 C ATOM 1003 CG GLN A 126 23.488 24.013 -20.148 1.00 45.40 C ATOM 1004 CD GLN A 126 24.425 25.208 -20.004 1.00 52.65 C ATOM 1005 OE1 GLN A 126 24.770 25.621 -18.891 1.00 57.54 O ATOM 1006 NE2 GLN A 126 24.844 25.766 -21.134 1.00 57.12 N ATOM 1007 N GLY A 127 20.756 27.518 -19.784 1.00 19.61 N ATOM 1008 CA GLY A 127 19.833 28.507 -20.314 1.00 16.50 C ATOM 1009 C GLY A 127 18.748 29.027 -19.376 1.00 16.06 C ATOM 1010 O GLY A 127 18.036 29.943 -19.762 1.00 15.31 O ATOM 1011 N CYS A 128 18.645 28.479 -18.161 1.00 11.83 N ATOM 1012 CA CYS A 128 17.633 28.862 -17.175 1.00 11.92 C ATOM 1013 C CYS A 128 17.869 30.157 -16.419 1.00 10.20 C ATOM 1014 O CYS A 128 16.987 30.587 -15.653 1.00 12.09 O ATOM 1015 CB CYS A 128 17.447 27.736 -16.161 1.00 11.26 C ATOM 1016 SG CYS A 128 17.096 26.196 -16.993 1.00 14.13 S ATOM 1017 N GLY A 129 19.048 30.751 -16.616 1.00 14.35 N ATOM 1018 CA GLY A 129 19.406 31.997 -15.945 1.00 14.38 C ATOM 1019 C GLY A 129 19.488 31.833 -14.434 1.00 19.31 C ATOM 1020 O GLY A 129 19.123 32.716 -13.666 1.00 23.10 O ATOM 1021 N VAL A 130 20.104 30.742 -14.022 1.00 19.60 N ATOM 1022 CA VAL A 130 20.215 30.379 -12.632 1.00 24.33 C ATOM 1023 C VAL A 130 21.673 30.198 -12.170 1.00 27.02 C ATOM 1024 O VAL A 130 21.978 30.606 -11.034 1.00 32.94 O ATOM 1025 CB VAL A 130 19.341 29.115 -12.437 1.00 22.81 C ATOM 1026 CG1 VAL A 130 20.154 27.881 -12.164 1.00 22.36 C ATOM 1027 CG2 VAL A 130 18.251 29.387 -11.471 1.00 21.54 C ATOM 1028 OXT VAL A 130 22.508 29.685 -12.947 1.00 31.22 O TER 1029 VAL A 130 HETATM 1030 O HOH A 131 5.197 20.407 -1.273 1.00 11.65 O HETATM 1031 O HOH A 132 8.688 15.064 -3.439 1.00 10.59 O HETATM 1032 O HOH A 133 27.263 18.747 -6.454 1.00 8.11 O HETATM 1033 O HOH A 134 12.594 25.193 -19.681 1.00 19.87 O HETATM 1034 O HOH A 135 6.438 17.311 -4.960 1.00 14.86 O HETATM 1035 O HOH A 136 28.122 3.746 -7.043 1.00 23.54 O HETATM 1036 O HOH A 137 -1.231 6.683 -1.652 1.00 21.63 O HETATM 1037 O HOH A 138 1.292 17.741 7.042 1.00 16.91 O HETATM 1038 O HOH A 139 24.323 23.960 -10.840 1.00 19.07 O HETATM 1039 O HOH A 140 -0.075 4.302 -2.737 1.00 18.36 O HETATM 1040 O HOH A 141 4.433 23.244 0.015 1.00 17.13 O HETATM 1041 O HOH A 142 24.930 14.966 3.694 1.00 22.58 O HETATM 1042 O HOH A 143 8.583 19.984 -18.531 1.00 30.27 O HETATM 1043 O HOH A 144 25.440 2.488 -5.481 1.00 25.73 O HETATM 1044 O HOH A 145 3.972 6.516 6.256 1.00 16.04 O HETATM 1045 O HOH A 146 17.397 31.327 -1.320 1.00 25.13 O HETATM 1046 O HOH A 147 4.795 19.314 -4.077 1.00 18.35 O HETATM 1047 O HOH A 148 0.114 12.803 8.879 1.00 19.22 O HETATM 1048 O HOH A 149 19.927 28.119 -3.820 1.00 18.52 O HETATM 1049 O HOH A 150 15.383 6.175 -6.526 1.00 21.90 O HETATM 1050 O HOH A 151 6.047 25.801 -6.031 1.00 25.30 O HETATM 1051 O HOH A 152 13.350 14.100 12.231 1.00 22.53 O HETATM 1052 O HOH A 153 -4.276 17.243 -15.467 1.00 29.18 O HETATM 1053 O HOH A 154 26.439 14.184 -10.849 1.00 25.88 O HETATM 1054 O HOH A 155 1.141 3.306 -8.498 1.00 43.89 O HETATM 1055 O HOH A 156 2.133 3.382 1.158 1.00 10.71 O HETATM 1056 O HOH A 157 7.098 7.715 7.584 1.00 19.38 O HETATM 1057 O HOH A 158 2.211 4.606 8.281 1.00 19.02 O HETATM 1058 O HOH A 159 0.581 16.776 9.372 1.00 31.64 O HETATM 1059 O HOH A 160 -4.566 3.352 9.834 1.00 48.80 O HETATM 1060 O HOH A 161 8.219 20.873 6.244 1.00 47.32 O HETATM 1061 O HOH A 162 -3.357 14.326 5.677 1.00109.62 O HETATM 1062 O HOH A 163 -0.540 23.725 -4.149 1.00 35.00 O HETATM 1063 O HOH A 164 18.804 8.419 4.084 1.00 27.89 O HETATM 1064 O HOH A 165 25.074 30.260 -5.806 1.00 37.32 O HETATM 1065 O HOH A 166 13.318 24.751 2.791 1.00 27.55 O HETATM 1066 O HOH A 167 12.992 9.310 -0.295 1.00 28.83 O HETATM 1067 O HOH A 168 13.316 6.629 2.181 1.00 63.04 O HETATM 1068 O HOH A 169 0.661 17.337 -12.310 1.00 15.55 O HETATM 1069 O HOH A 170 14.087 18.138 -19.626 1.00 16.61 O HETATM 1070 O HOH A 171 10.821 26.995 -18.517 1.00 32.06 O HETATM 1071 O HOH A 172 21.950 28.540 -16.107 1.00 25.47 O HETATM 1072 O HOH A 173 10.869 11.559 -20.003 1.00 46.68 O CONECT 53 1016 CONECT 243 915 CONECT 533 641 CONECT 611 737 CONECT 641 533 CONECT 737 611 CONECT 915 243 CONECT 1016 53 MASTER 204 0 0 8 2 0 0 6 1071 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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