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*** HYDROLASE 16-JAN-97 1LYY ***elNémo ID: 2407290648051925919Job options:ID = 2407290648051925919 JOBID = HYDROLASE 16-JAN-97 1LYY 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 1LYY TITLE AMYLOIDOGENIC VARIANT (ASP67HIS) 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 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA; SOURCE 6 EXPRESSION_SYSTEM_COMMON: FALL ARMYWORM; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 7108; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: SF9; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: VIRUS; SOURCE 10 EXPRESSION_SYSTEM_VECTOR: BACULOVIRUS; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PBACPAK8; SOURCE 12 OTHER_DETAILS: HUMAN LYSOZYME CDNA AMPLIFIED FROM RNA KEYWDS HYDROLASE, ENZYME, BETA-1, 4-GLYCAN-HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR M.SUNDE,C.C.F.BLAKE REVDAT 4 03-APR-24 1LYY 1 REMARK REVDAT 3 03-NOV-21 1LYY 1 SEQADV REVDAT 2 24-FEB-09 1LYY 1 VERSN REVDAT 1 01-APR-97 1LYY 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) (%) : 92.2 REMARK 3 NUMBER OF REFLECTIONS : 10216 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NOT USED AFTER INITIAL STAGES REMARK 3 BECAUSE OF LOW NUMBER OF REMARK 3 REFLECTIONS REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : 0.228 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 : 1031 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) : 14.80 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) : 0.015 REMARK 3 BOND ANGLES (DEGREES) : 1.800 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.10 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.700 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) : 2.000 ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.980 ; 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 1LYY 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_1000174872. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : JAN-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 : 11071 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.750 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 90.9 REMARK 200 DATA REDUNDANCY : 3.700 REMARK 200 R MERGE (I) : 0.10300 REMARK 200 R SYM (I) : 0.13100 REMARK 200 FOR THE DATA SET : 8.5000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.75 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.81 REMARK 200 COMPLETENESS FOR SHELL (%) : 78.3 REMARK 200 DATA REDUNDANCY IN SHELL : 2.10 REMARK 200 R MERGE FOR SHELL (I) : 0.19800 REMARK 200 R SYM FOR SHELL (I) : 0.22300 REMARK 200 FOR SHELL : 3.000 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: HUMAN LYSOZYME COORDINATES FROM ARTYMUIK, P.J.AND REMARK 200 BLAKE, C.C.F. J.MOL.BIOL. (1983) 167,693-723. REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 40.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.04 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PROTEIN WAS CRYSTALLIZED FROM 0.2 M REMARK 280 AMMONIUM SULFATE, 30% PEG 8000, PH 4.0 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,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 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 15.93000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 36 -6.58 -143.29 REMARK 500 REMARK 500 REMARK: NULL DBREF 1LYY A 1 130 UNP P61626 LYSC_HUMAN 19 148 SEQADV 1LYY HIS A 67 UNP P61626 ASP 85 ENGINEERED MUTATION SEQRES 1 A 130 LYS VAL PHE GLU ARG CYS GLU LEU ALA ARG THR LEU LYS SEQRES 2 A 130 ARG LEU GLY MET ASP GLY TYR ARG GLY ILE SER LEU ALA SEQRES 3 A 130 ASN TRP MET CYS LEU ALA LYS TRP 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 HIS 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 2.37 SSBOND 2 CYS A 30 CYS A 116 1555 1555 2.31 SSBOND 3 CYS A 65 CYS A 81 1555 1555 2.40 SSBOND 4 CYS A 77 CYS A 95 1555 1555 2.32 CRYST1 37.340 31.860 51.500 90.00 102.56 90.00 P 1 21 1 2 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 0.026781 0.000000 0.005967 0.00000 SCALE2 0.000000 0.031387 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019894 0.00000 ATOM 1 N LYS A 1 29.161 10.342 43.567 1.00 12.00 N ATOM 2 CA LYS A 1 30.063 11.204 44.347 1.00 11.53 C ATOM 3 C LYS A 1 31.282 11.472 43.487 1.00 11.44 C ATOM 4 O LYS A 1 31.682 10.606 42.707 1.00 9.22 O ATOM 5 CB LYS A 1 30.414 10.500 45.665 1.00 14.20 C ATOM 6 CG LYS A 1 31.887 10.417 46.048 1.00 16.45 C ATOM 7 CD LYS A 1 32.454 11.721 46.569 1.00 20.52 C ATOM 8 CE LYS A 1 33.776 11.498 47.266 1.00 22.19 C ATOM 9 NZ LYS A 1 33.556 10.743 48.538 1.00 24.27 N ATOM 10 N VAL A 2 31.783 12.712 43.532 1.00 12.26 N ATOM 11 CA VAL A 2 32.989 13.103 42.769 1.00 13.04 C ATOM 12 C VAL A 2 34.205 13.266 43.709 1.00 13.17 C ATOM 13 O VAL A 2 34.231 14.138 44.599 1.00 13.81 O ATOM 14 CB VAL A 2 32.807 14.415 41.928 1.00 11.65 C ATOM 15 CG1 VAL A 2 34.075 14.717 41.113 1.00 8.94 C ATOM 16 CG2 VAL A 2 31.596 14.312 41.024 1.00 11.86 C ATOM 17 N PHE A 3 35.198 12.412 43.499 1.00 11.62 N ATOM 18 CA PHE A 3 36.416 12.420 44.286 1.00 11.58 C ATOM 19 C PHE A 3 37.401 13.510 43.884 1.00 11.98 C ATOM 20 O PHE A 3 37.518 13.860 42.709 1.00 12.79 O ATOM 21 CB PHE A 3 37.158 11.090 44.142 1.00 9.08 C ATOM 22 CG PHE A 3 36.583 9.969 44.951 1.00 8.84 C ATOM 23 CD1 PHE A 3 35.390 9.367 44.594 1.00 10.27 C ATOM 24 CD2 PHE A 3 37.292 9.435 46.021 1.00 9.66 C ATOM 25 CE1 PHE A 3 34.917 8.228 45.294 1.00 10.67 C ATOM 26 CE2 PHE A 3 36.826 8.307 46.711 1.00 10.23 C ATOM 27 CZ PHE A 3 35.635 7.707 46.338 1.00 7.49 C ATOM 28 N GLU A 4 38.068 14.082 44.886 1.00 12.35 N ATOM 29 CA GLU A 4 39.135 15.038 44.635 1.00 10.60 C ATOM 30 C GLU A 4 40.249 14.064 44.296 1.00 9.07 C ATOM 31 O GLU A 4 40.286 12.946 44.842 1.00 7.59 O ATOM 32 CB GLU A 4 39.505 15.806 45.895 1.00 14.18 C ATOM 33 CG GLU A 4 38.532 16.911 46.226 1.00 21.32 C ATOM 34 CD GLU A 4 38.075 16.833 47.641 1.00 24.35 C ATOM 35 OE1 GLU A 4 38.898 17.180 48.522 1.00 25.27 O ATOM 36 OE2 GLU A 4 36.906 16.407 47.862 1.00 27.22 O ATOM 37 N ARG A 5 41.193 14.506 43.490 1.00 4.40 N ATOM 38 CA ARG A 5 42.283 13.664 43.049 1.00 4.96 C ATOM 39 C ARG A 5 43.034 12.814 44.094 1.00 5.41 C ATOM 40 O ARG A 5 43.103 11.587 43.969 1.00 4.16 O ATOM 41 CB ARG A 5 43.276 14.504 42.255 1.00 4.87 C ATOM 42 CG ARG A 5 44.286 13.705 41.411 1.00 6.55 C ATOM 43 CD ARG A 5 45.202 14.647 40.644 1.00 10.40 C ATOM 44 NE ARG A 5 45.791 15.659 41.524 1.00 15.06 N ATOM 45 CZ ARG A 5 46.968 15.555 42.151 1.00 18.49 C ATOM 46 NH1 ARG A 5 47.739 14.474 42.015 1.00 15.19 N ATOM 47 NH2 ARG A 5 47.382 16.562 42.932 1.00 21.45 N ATOM 48 N CYS A 6 43.659 13.473 45.075 1.00 6.74 N ATOM 49 CA CYS A 6 44.446 12.795 46.114 1.00 6.94 C ATOM 50 C CYS A 6 43.647 11.850 47.005 1.00 6.84 C ATOM 51 O CYS A 6 44.170 10.846 47.486 1.00 7.53 O ATOM 52 CB CYS A 6 45.218 13.838 46.920 1.00 6.05 C ATOM 53 SG CYS A 6 46.388 14.703 45.865 1.00 9.36 S ATOM 54 N GLU A 7 42.377 12.178 47.198 1.00 8.66 N ATOM 55 CA GLU A 7 41.410 11.387 47.942 1.00 9.18 C ATOM 56 C GLU A 7 41.253 10.018 47.243 1.00 8.15 C ATOM 57 O GLU A 7 41.319 8.941 47.872 1.00 5.04 O ATOM 58 CB GLU A 7 40.076 12.113 47.905 1.00 9.69 C ATOM 59 CG GLU A 7 38.954 11.300 48.416 1.00 13.94 C ATOM 60 CD GLU A 7 37.641 12.037 48.430 1.00 17.07 C ATOM 61 OE1 GLU A 7 37.480 13.052 47.705 1.00 18.00 O ATOM 62 OE2 GLU A 7 36.755 11.567 49.177 1.00 18.85 O ATOM 63 N LEU A 8 41.102 10.072 45.927 1.00 7.11 N ATOM 64 CA LEU A 8 40.909 8.856 45.148 1.00 8.43 C ATOM 65 C LEU A 8 42.147 7.992 45.163 1.00 8.31 C ATOM 66 O LEU A 8 42.060 6.776 45.367 1.00 9.31 O ATOM 67 CB LEU A 8 40.473 9.201 43.706 1.00 7.13 C ATOM 68 CG LEU A 8 40.190 8.004 42.783 1.00 8.15 C ATOM 69 CD1 LEU A 8 39.070 7.142 43.343 1.00 9.43 C ATOM 70 CD2 LEU A 8 39.853 8.480 41.399 1.00 9.05 C ATOM 71 N ALA A 9 43.304 8.631 45.009 1.00 9.60 N ATOM 72 CA ALA A 9 44.588 7.943 44.986 1.00 9.01 C ATOM 73 C ALA A 9 44.779 7.140 46.250 1.00 8.27 C ATOM 74 O ALA A 9 45.222 6.005 46.165 1.00 8.37 O ATOM 75 CB ALA A 9 45.709 8.925 44.839 1.00 9.33 C ATOM 76 N ARG A 10 44.414 7.731 47.401 1.00 7.33 N ATOM 77 CA ARG A 10 44.545 7.063 48.707 1.00 8.13 C ATOM 78 C ARG A 10 43.601 5.881 48.858 1.00 7.92 C ATOM 79 O ARG A 10 43.948 4.852 49.463 1.00 8.10 O ATOM 80 CB ARG A 10 44.310 8.040 49.874 1.00 7.67 C ATOM 81 CG ARG A 10 45.525 8.856 50.268 1.00 7.90 C ATOM 82 CD ARG A 10 45.186 9.716 51.529 1.00 10.74 C ATOM 83 NE ARG A 10 44.137 10.717 51.277 1.00 9.57 N ATOM 84 CZ ARG A 10 44.388 11.909 50.764 1.00 6.29 C ATOM 85 NH1 ARG A 10 45.643 12.223 50.472 1.00 10.36 N ATOM 86 NH2 ARG A 10 43.404 12.759 50.536 1.00 9.46 N ATOM 87 N THR A 11 42.378 6.079 48.398 1.00 6.52 N ATOM 88 CA THR A 11 41.357 5.044 48.433 1.00 7.66 C ATOM 89 C THR A 11 41.793 3.824 47.570 1.00 5.38 C ATOM 90 O THR A 11 41.723 2.677 48.017 1.00 4.31 O ATOM 91 CB THR A 11 39.983 5.621 47.968 1.00 8.35 C ATOM 92 OG1 THR A 11 40.151 6.328 46.727 1.00 16.36 O ATOM 93 CG2 THR A 11 39.483 6.603 48.959 1.00 8.05 C ATOM 94 N LEU A 12 42.275 4.078 46.354 1.00 4.61 N ATOM 95 CA LEU A 12 42.720 2.982 45.470 1.00 3.85 C ATOM 96 C LEU A 12 43.941 2.261 46.051 1.00 5.90 C ATOM 97 O LEU A 12 44.081 1.045 45.871 1.00 3.98 O ATOM 98 CB LEU A 12 43.046 3.497 44.054 1.00 3.44 C ATOM 99 CG LEU A 12 41.886 4.167 43.314 1.00 3.64 C ATOM 100 CD1 LEU A 12 42.433 4.764 42.038 1.00 5.27 C ATOM 101 CD2 LEU A 12 40.738 3.166 43.043 1.00 6.46 C ATOM 102 N LYS A 13 44.822 3.017 46.729 1.00 6.06 N ATOM 103 CA LYS A 13 46.028 2.441 47.350 1.00 6.82 C ATOM 104 C LYS A 13 45.562 1.562 48.509 1.00 4.59 C ATOM 105 O LYS A 13 46.027 0.427 48.624 1.00 4.17 O ATOM 106 CB LYS A 13 46.995 3.539 47.823 1.00 8.59 C ATOM 107 CG LYS A 13 48.388 3.056 48.223 1.00 10.77 C ATOM 108 CD LYS A 13 49.016 2.162 47.162 1.00 16.06 C ATOM 109 CE LYS A 13 50.459 1.733 47.533 1.00 19.23 C ATOM 110 NZ LYS A 13 51.497 2.783 47.312 1.00 21.96 N ATOM 111 N ARG A 14 44.597 2.062 49.295 1.00 6.70 N ATOM 112 CA ARG A 14 43.991 1.330 50.418 1.00 8.37 C ATOM 113 C ARG A 14 43.328 0.032 49.941 1.00 8.99 C ATOM 114 O ARG A 14 43.377 -0.995 50.631 1.00 7.96 O ATOM 115 CB ARG A 14 42.933 2.170 51.126 1.00 7.87 C ATOM 116 CG ARG A 14 42.725 1.726 52.577 1.00 14.15 C ATOM 117 CD ARG A 14 41.594 2.504 53.317 1.00 16.69 C ATOM 118 NE ARG A 14 41.647 3.932 53.001 1.00 20.92 N ATOM 119 CZ ARG A 14 40.651 4.633 52.468 1.00 20.22 C ATOM 120 NH1 ARG A 14 39.480 4.065 52.206 1.00 22.51 N ATOM 121 NH2 ARG A 14 40.889 5.863 52.038 1.00 22.62 N ATOM 122 N LEU A 15 42.755 0.084 48.740 1.00 8.37 N ATOM 123 CA LEU A 15 42.093 -1.070 48.126 1.00 9.04 C ATOM 124 C LEU A 15 43.012 -2.019 47.313 1.00 7.84 C ATOM 125 O LEU A 15 42.526 -2.926 46.632 1.00 10.07 O ATOM 126 CB LEU A 15 40.874 -0.599 47.309 1.00 8.42 C ATOM 127 CG LEU A 15 39.775 0.031 48.198 1.00 7.95 C ATOM 128 CD1 LEU A 15 38.635 0.581 47.360 1.00 8.34 C ATOM 129 CD2 LEU A 15 39.231 -0.989 49.192 1.00 8.91 C ATOM 130 N GLY A 16 44.326 -1.819 47.399 1.00 5.79 N ATOM 131 CA GLY A 16 45.273 -2.690 46.718 1.00 6.89 C ATOM 132 C GLY A 16 45.439 -2.579 45.218 1.00 6.84 C ATOM 133 O GLY A 16 45.876 -3.523 44.572 1.00 6.91 O ATOM 134 N MET A 17 45.170 -1.395 44.678 1.00 6.04 N ATOM 135 CA MET A 17 45.297 -1.141 43.248 1.00 6.06 C ATOM 136 C MET A 17 46.700 -0.832 42.760 1.00 5.75 C ATOM 137 O MET A 17 46.999 -1.081 41.618 1.00 3.98 O ATOM 138 CB MET A 17 44.382 0.026 42.854 1.00 7.66 C ATOM 139 CG MET A 17 42.928 -0.310 42.912 1.00 11.82 C ATOM 140 SD MET A 17 42.593 -1.520 41.638 1.00 20.30 S ATOM 141 CE MET A 17 41.639 -0.497 40.519 1.00 20.33 C ATOM 142 N ASP A 18 47.570 -0.295 43.617 1.00 8.73 N ATOM 143 CA ASP A 18 48.905 0.086 43.180 1.00 10.01 C ATOM 144 C ASP A 18 49.787 -1.107 42.960 1.00 10.74 C ATOM 145 O ASP A 18 50.207 -1.782 43.916 1.00 12.73 O ATOM 146 CB ASP A 18 49.569 1.033 44.174 1.00 12.06 C ATOM 147 CG ASP A 18 50.783 1.795 43.567 1.00 13.39 C ATOM 148 OD1 ASP A 18 51.372 1.379 42.550 1.00 14.55 O ATOM 149 OD2 ASP A 18 51.153 2.847 44.120 1.00 19.92 O ATOM 150 N GLY A 19 50.128 -1.316 41.704 1.00 8.72 N ATOM 151 CA GLY A 19 50.969 -2.442 41.338 1.00 11.56 C ATOM 152 C GLY A 19 50.160 -3.695 40.995 1.00 10.28 C ATOM 153 O GLY A 19 50.747 -4.734 40.672 1.00 9.22 O ATOM 154 N TYR A 20 48.828 -3.593 41.011 1.00 9.17 N ATOM 155 CA TYR A 20 47.995 -4.752 40.721 1.00 10.35 C ATOM 156 C TYR A 20 48.159 -5.176 39.254 1.00 9.49 C ATOM 157 O TYR A 20 47.993 -4.363 38.344 1.00 6.62 O ATOM 158 CB TYR A 20 46.505 -4.519 41.091 1.00 7.14 C ATOM 159 CG TYR A 20 45.681 -5.782 40.981 1.00 7.85 C ATOM 160 CD1 TYR A 20 45.644 -6.716 42.021 1.00 10.12 C ATOM 161 CD2 TYR A 20 44.998 -6.087 39.806 1.00 8.43 C ATOM 162 CE1 TYR A 20 44.942 -7.914 41.874 1.00 10.49 C ATOM 163 CE2 TYR A 20 44.306 -7.271 39.656 1.00 9.17 C ATOM 164 CZ TYR A 20 44.278 -8.164 40.673 1.00 9.60 C ATOM 165 OH TYR A 20 43.570 -9.307 40.487 1.00 11.30 O ATOM 166 N ARG A 21 48.504 -6.455 39.044 1.00 11.80 N ATOM 167 CA ARG A 21 48.702 -6.976 37.676 1.00 14.29 C ATOM 168 C ARG A 21 49.786 -6.151 37.006 1.00 13.45 C ATOM 169 O ARG A 21 49.880 -6.072 35.779 1.00 11.06 O ATOM 170 CB ARG A 21 47.404 -6.913 36.853 1.00 17.37 C ATOM 171 CG ARG A 21 46.350 -7.905 37.304 1.00 21.51 C ATOM 172 CD ARG A 21 46.822 -9.339 37.120 1.00 25.50 C ATOM 173 NE ARG A 21 46.356 -10.214 38.194 1.00 29.78 N ATOM 174 CZ ARG A 21 46.109 -11.517 38.057 1.00 30.82 C ATOM 175 NH1 ARG A 21 46.288 -12.111 36.875 1.00 31.36 N ATOM 176 NH2 ARG A 21 45.642 -12.217 39.096 1.00 29.82 N ATOM 177 N GLY A 22 50.605 -5.535 37.861 1.00 13.57 N ATOM 178 CA GLY A 22 51.697 -4.713 37.413 1.00 13.09 C ATOM 179 C GLY A 22 51.252 -3.371 36.900 1.00 11.55 C ATOM 180 O GLY A 22 51.994 -2.759 36.134 1.00 14.27 O ATOM 181 N ILE A 23 50.054 -2.925 37.269 1.00 9.81 N ATOM 182 CA ILE A 23 49.562 -1.600 36.814 1.00 5.88 C ATOM 183 C ILE A 23 49.734 -0.633 38.014 1.00 4.76 C ATOM 184 O ILE A 23 49.171 -0.833 39.080 1.00 3.56 O ATOM 185 CB ILE A 23 48.075 -1.666 36.387 1.00 6.93 C ATOM 186 CG1 ILE A 23 47.901 -2.702 35.265 1.00 5.56 C ATOM 187 CG2 ILE A 23 47.558 -0.284 35.968 1.00 4.73 C ATOM 188 CD1 ILE A 23 46.591 -3.371 35.332 1.00 9.04 C ATOM 189 N SER A 24 50.542 0.388 37.838 1.00 4.26 N ATOM 190 CA SER A 24 50.777 1.309 38.924 1.00 4.67 C ATOM 191 C SER A 24 49.541 2.144 39.241 1.00 5.36 C ATOM 192 O SER A 24 48.641 2.332 38.409 1.00 4.37 O ATOM 193 CB SER A 24 51.979 2.191 38.571 1.00 7.28 C ATOM 194 OG SER A 24 51.704 3.076 37.481 1.00 9.94 O ATOM 195 N LEU A 25 49.535 2.697 40.449 1.00 7.44 N ATOM 196 CA LEU A 25 48.442 3.544 40.915 1.00 6.31 C ATOM 197 C LEU A 25 48.259 4.725 39.958 1.00 5.54 C ATOM 198 O LEU A 25 47.131 5.158 39.747 1.00 4.30 O ATOM 199 CB LEU A 25 48.756 4.054 42.330 1.00 8.51 C ATOM 200 CG LEU A 25 47.623 4.680 43.156 1.00 11.67 C ATOM 201 CD1 LEU A 25 46.594 3.636 43.556 1.00 13.60 C ATOM 202 CD2 LEU A 25 48.231 5.297 44.407 1.00 14.64 C ATOM 203 N ALA A 26 49.367 5.252 39.417 1.00 5.88 N ATOM 204 CA ALA A 26 49.318 6.384 38.476 1.00 7.14 C ATOM 205 C ALA A 26 48.445 6.052 37.272 1.00 6.65 C ATOM 206 O ALA A 26 47.549 6.834 36.907 1.00 5.45 O ATOM 207 CB ALA A 26 50.686 6.737 38.036 1.00 8.46 C ATOM 208 N ASN A 27 48.679 4.873 36.684 1.00 5.58 N ATOM 209 CA ASN A 27 47.868 4.402 35.545 1.00 5.66 C ATOM 210 C ASN A 27 46.363 4.273 35.867 1.00 5.28 C ATOM 211 O ASN A 27 45.496 4.671 35.059 1.00 2.08 O ATOM 212 CB ASN A 27 48.467 3.108 34.931 1.00 5.94 C ATOM 213 CG ASN A 27 49.668 3.417 33.977 1.00 8.21 C ATOM 214 OD1 ASN A 27 49.500 4.129 32.967 1.00 12.03 O ATOM 215 ND2 ASN A 27 50.863 2.931 34.316 1.00 6.75 N ATOM 216 N TRP A 28 46.034 3.756 37.055 1.00 2.74 N ATOM 217 CA TRP A 28 44.617 3.654 37.456 1.00 2.02 C ATOM 218 C TRP A 28 43.994 5.059 37.592 1.00 2.25 C ATOM 219 O TRP A 28 42.826 5.272 37.307 1.00 2.00 O ATOM 220 CB TRP A 28 44.488 2.931 38.815 1.00 4.43 C ATOM 221 CG TRP A 28 44.786 1.442 38.745 1.00 7.43 C ATOM 222 CD1 TRP A 28 45.867 0.786 39.275 1.00 4.30 C ATOM 223 CD2 TRP A 28 44.006 0.451 38.076 1.00 6.82 C ATOM 224 NE1 TRP A 28 45.800 -0.527 38.982 1.00 2.00 N ATOM 225 CE2 TRP A 28 44.674 -0.781 38.248 1.00 6.04 C ATOM 226 CE3 TRP A 28 42.810 0.483 37.341 1.00 8.07 C ATOM 227 CZ2 TRP A 28 44.190 -1.985 37.716 1.00 3.23 C ATOM 228 CZ3 TRP A 28 42.329 -0.721 36.809 1.00 8.34 C ATOM 229 CH2 TRP A 28 43.028 -1.938 37.008 1.00 6.77 C ATOM 230 N MET A 29 44.786 5.994 38.095 1.00 2.00 N ATOM 231 CA MET A 29 44.326 7.369 38.299 1.00 3.31 C ATOM 232 C MET A 29 44.067 8.054 36.941 1.00 2.91 C ATOM 233 O MET A 29 43.066 8.767 36.777 1.00 2.39 O ATOM 234 CB MET A 29 45.359 8.140 39.149 1.00 2.00 C ATOM 235 CG MET A 29 45.227 7.897 40.681 1.00 3.08 C ATOM 236 SD MET A 29 43.620 8.270 41.456 1.00 7.41 S ATOM 237 CE MET A 29 43.432 10.087 41.198 1.00 11.71 C ATOM 238 N CYS A 30 44.981 7.825 35.994 1.00 2.76 N ATOM 239 CA CYS A 30 44.879 8.361 34.636 1.00 3.35 C ATOM 240 C CYS A 30 43.621 7.768 33.947 1.00 4.29 C ATOM 241 O CYS A 30 42.841 8.480 33.292 1.00 2.75 O ATOM 242 CB CYS A 30 46.148 8.028 33.855 1.00 4.62 C ATOM 243 SG CYS A 30 46.174 8.829 32.198 1.00 8.80 S ATOM 244 N LEU A 31 43.389 6.480 34.164 1.00 2.69 N ATOM 245 CA LEU A 31 42.228 5.838 33.588 1.00 2.96 C ATOM 246 C LEU A 31 40.954 6.461 34.136 1.00 4.04 C ATOM 247 O LEU A 31 40.099 6.899 33.382 1.00 4.35 O ATOM 248 CB LEU A 31 42.262 4.331 33.863 1.00 5.30 C ATOM 249 CG LEU A 31 41.058 3.530 33.358 1.00 7.73 C ATOM 250 CD1 LEU A 31 41.215 3.369 31.851 1.00 10.97 C ATOM 251 CD2 LEU A 31 40.947 2.188 34.048 1.00 10.29 C ATOM 252 N ALA A 32 40.832 6.524 35.459 1.00 4.29 N ATOM 253 CA ALA A 32 39.644 7.076 36.081 1.00 4.13 C ATOM 254 C ALA A 32 39.338 8.551 35.664 1.00 5.55 C ATOM 255 O ALA A 32 38.184 8.911 35.447 1.00 6.07 O ATOM 256 CB ALA A 32 39.746 6.924 37.614 1.00 4.92 C ATOM 257 N LYS A 33 40.375 9.374 35.545 1.00 4.12 N ATOM 258 CA LYS A 33 40.208 10.759 35.164 1.00 5.70 C ATOM 259 C LYS A 33 39.559 10.887 33.791 1.00 5.08 C ATOM 260 O LYS A 33 38.576 11.597 33.646 1.00 7.22 O ATOM 261 CB LYS A 33 41.544 11.474 35.159 1.00 7.21 C ATOM 262 CG LYS A 33 41.423 12.888 34.746 1.00 10.33 C ATOM 263 CD LYS A 33 42.756 13.528 34.764 1.00 15.92 C ATOM 264 CE LYS A 33 43.317 13.681 36.197 1.00 22.44 C ATOM 265 NZ LYS A 33 42.970 14.884 37.111 1.00 25.26 N ATOM 266 N TRP A 34 40.084 10.182 32.789 1.00 8.01 N ATOM 267 CA TRP A 34 39.515 10.287 31.441 1.00 6.71 C ATOM 268 C TRP A 34 38.201 9.543 31.260 1.00 6.21 C ATOM 269 O TRP A 34 37.362 9.975 30.472 1.00 5.54 O ATOM 270 CB TRP A 34 40.537 9.871 30.386 1.00 7.40 C ATOM 271 CG TRP A 34 41.664 10.799 30.371 1.00 11.41 C ATOM 272 CD1 TRP A 34 42.827 10.691 31.081 1.00 12.84 C ATOM 273 CD2 TRP A 34 41.729 12.043 29.672 1.00 14.60 C ATOM 274 NE1 TRP A 34 43.613 11.797 30.874 1.00 15.09 N ATOM 275 CE2 TRP A 34 42.968 12.648 30.013 1.00 15.90 C ATOM 276 CE3 TRP A 34 40.866 12.707 28.784 1.00 15.83 C ATOM 277 CZ2 TRP A 34 43.375 13.901 29.490 1.00 16.02 C ATOM 278 CZ3 TRP A 34 41.268 13.957 28.257 1.00 17.80 C ATOM 279 CH2 TRP A 34 42.518 14.535 28.619 1.00 16.62 C ATOM 280 N GLU A 35 37.998 8.454 31.998 1.00 4.16 N ATOM 281 CA GLU A 35 36.754 7.704 31.859 1.00 4.06 C ATOM 282 C GLU A 35 35.591 8.396 32.524 1.00 4.05 C ATOM 283 O GLU A 35 34.507 8.520 31.942 1.00 4.79 O ATOM 284 CB GLU A 35 36.862 6.277 32.425 1.00 3.19 C ATOM 285 CG GLU A 35 37.795 5.355 31.676 1.00 8.83 C ATOM 286 CD GLU A 35 37.212 4.804 30.368 1.00 6.93 C ATOM 287 OE1 GLU A 35 36.113 5.204 29.969 1.00 10.33 O ATOM 288 OE2 GLU A 35 37.862 3.961 29.729 1.00 9.70 O ATOM 289 N SER A 36 35.837 8.993 33.677 1.00 3.94 N ATOM 290 CA SER A 36 34.717 9.561 34.404 1.00 4.64 C ATOM 291 C SER A 36 34.933 10.857 35.153 1.00 4.82 C ATOM 292 O SER A 36 33.981 11.380 35.706 1.00 8.41 O ATOM 293 CB SER A 36 34.222 8.528 35.430 1.00 5.46 C ATOM 294 OG SER A 36 35.215 8.347 36.440 1.00 6.32 O ATOM 295 N GLY A 37 36.161 11.344 35.222 1.00 7.19 N ATOM 296 CA GLY A 37 36.439 12.567 35.959 1.00 8.91 C ATOM 297 C GLY A 37 36.249 12.324 37.441 1.00 10.01 C ATOM 298 O GLY A 37 35.792 13.215 38.177 1.00 9.17 O ATOM 299 N TYR A 38 36.526 11.091 37.869 1.00 7.78 N ATOM 300 CA TYR A 38 36.417 10.710 39.294 1.00 7.67 C ATOM 301 C TYR A 38 34.995 10.752 39.845 1.00 7.98 C ATOM 302 O TYR A 38 34.799 10.841 41.042 1.00 7.60 O ATOM 303 CB TYR A 38 37.314 11.587 40.199 1.00 8.69 C ATOM 304 CG TYR A 38 38.726 11.866 39.690 1.00 10.81 C ATOM 305 CD1 TYR A 38 39.525 10.843 39.118 1.00 9.75 C ATOM 306 CD2 TYR A 38 39.280 13.147 39.815 1.00 10.62 C ATOM 307 CE1 TYR A 38 40.825 11.099 38.707 1.00 9.88 C ATOM 308 CE2 TYR A 38 40.578 13.415 39.396 1.00 9.41 C ATOM 309 CZ TYR A 38 41.342 12.398 38.859 1.00 10.58 C ATOM 310 OH TYR A 38 42.648 12.664 38.549 1.00 11.81 O ATOM 311 N ASN A 39 34.000 10.633 38.981 1.00 8.18 N ATOM 312 CA ASN A 39 32.621 10.681 39.421 1.00 9.31 C ATOM 313 C ASN A 39 32.071 9.278 39.383 1.00 9.67 C ATOM 314 O ASN A 39 32.057 8.644 38.310 1.00 9.61 O ATOM 315 CB ASN A 39 31.824 11.605 38.469 1.00 11.52 C ATOM 316 CG ASN A 39 30.361 11.711 38.819 1.00 10.24 C ATOM 317 OD1 ASN A 39 29.856 11.052 39.733 1.00 8.41 O ATOM 318 ND2 ASN A 39 29.660 12.549 38.074 1.00 13.37 N ATOM 319 N THR A 40 31.632 8.792 40.545 1.00 10.91 N ATOM 320 CA THR A 40 31.056 7.449 40.666 1.00 10.83 C ATOM 321 C THR A 40 29.729 7.246 39.944 1.00 12.43 C ATOM 322 O THR A 40 29.359 6.099 39.621 1.00 12.42 O ATOM 323 CB THR A 40 30.828 7.054 42.113 1.00 9.14 C ATOM 324 OG1 THR A 40 29.971 8.005 42.754 1.00 8.93 O ATOM 325 CG2 THR A 40 32.129 6.947 42.828 1.00 11.92 C ATOM 326 N ARG A 41 29.008 8.354 39.721 1.00 13.61 N ATOM 327 CA ARG A 41 27.718 8.335 39.043 1.00 13.81 C ATOM 328 C ARG A 41 27.764 8.464 37.522 1.00 14.60 C ATOM 329 O ARG A 41 26.723 8.486 36.871 1.00 15.15 O ATOM 330 CB ARG A 41 26.800 9.393 39.621 1.00 16.13 C ATOM 331 CG ARG A 41 26.214 9.035 40.967 1.00 18.32 C ATOM 332 CD ARG A 41 25.333 10.180 41.455 1.00 23.74 C ATOM 333 NE ARG A 41 24.373 10.641 40.438 1.00 26.40 N ATOM 334 CZ ARG A 41 23.404 11.530 40.671 1.00 28.34 C ATOM 335 NH1 ARG A 41 23.257 12.077 41.884 1.00 28.69 N ATOM 336 NH2 ARG A 41 22.543 11.836 39.706 1.00 28.25 N ATOM 337 N ALA A 42 28.957 8.498 36.943 1.00 14.03 N ATOM 338 CA ALA A 42 29.074 8.597 35.494 1.00 13.70 C ATOM 339 C ALA A 42 28.543 7.360 34.726 1.00 13.51 C ATOM 340 O ALA A 42 28.737 6.199 35.124 1.00 9.15 O ATOM 341 CB ALA A 42 30.537 8.900 35.086 1.00 15.27 C ATOM 342 N THR A 43 27.889 7.643 33.604 1.00 14.03 N ATOM 343 CA THR A 43 27.323 6.609 32.743 1.00 15.05 C ATOM 344 C THR A 43 27.315 7.171 31.334 1.00 15.01 C ATOM 345 O THR A 43 26.936 8.326 31.119 1.00 14.47 O ATOM 346 CB THR A 43 25.888 6.305 33.089 1.00 15.85 C ATOM 347 OG1 THR A 43 25.094 7.437 32.709 1.00 16.55 O ATOM 348 CG2 THR A 43 25.715 5.997 34.611 1.00 17.20 C ATOM 349 N ASN A 44 27.648 6.327 30.374 1.00 12.68 N ATOM 350 CA ASN A 44 27.720 6.727 28.991 1.00 13.53 C ATOM 351 C ASN A 44 27.364 5.546 28.108 1.00 14.27 C ATOM 352 O ASN A 44 27.658 4.390 28.435 1.00 12.21 O ATOM 353 CB ASN A 44 29.165 7.089 28.629 1.00 12.69 C ATOM 354 CG ASN A 44 29.648 8.330 29.317 1.00 17.37 C ATOM 355 OD1 ASN A 44 30.367 8.276 30.339 1.00 15.63 O ATOM 356 ND2 ASN A 44 29.255 9.476 28.773 1.00 15.82 N ATOM 357 N TYR A 45 26.775 5.837 26.963 1.00 14.64 N ATOM 358 CA TYR A 45 26.497 4.791 26.010 1.00 12.80 C ATOM 359 C TYR A 45 27.827 4.709 25.290 1.00 11.32 C ATOM 360 O TYR A 45 28.366 5.721 24.861 1.00 10.56 O ATOM 361 CB TYR A 45 25.389 5.164 25.007 1.00 12.90 C ATOM 362 CG TYR A 45 25.261 4.089 23.944 1.00 14.08 C ATOM 363 CD1 TYR A 45 24.817 2.797 24.286 1.00 15.00 C ATOM 364 CD2 TYR A 45 25.715 4.304 22.650 1.00 15.13 C ATOM 365 CE1 TYR A 45 24.838 1.747 23.373 1.00 16.30 C ATOM 366 CE2 TYR A 45 25.747 3.243 21.719 1.00 16.71 C ATOM 367 CZ TYR A 45 25.308 1.969 22.095 1.00 17.96 C ATOM 368 OH TYR A 45 25.354 0.920 21.200 1.00 18.30 O ATOM 369 N ASN A 46 28.394 3.512 25.217 1.00 12.78 N ATOM 370 CA ASN A 46 29.665 3.341 24.536 1.00 13.14 C ATOM 371 C ASN A 46 29.437 2.644 23.216 1.00 12.45 C ATOM 372 O ASN A 46 29.181 1.453 23.175 1.00 7.77 O ATOM 373 CB ASN A 46 30.657 2.554 25.375 1.00 14.90 C ATOM 374 CG ASN A 46 32.011 2.387 24.684 1.00 18.75 C ATOM 375 OD1 ASN A 46 32.150 2.579 23.460 1.00 21.23 O ATOM 376 ND2 ASN A 46 33.015 2.006 25.464 1.00 19.44 N ATOM 377 N ALA A 47 29.564 3.414 22.143 1.00 14.46 N ATOM 378 CA ALA A 47 29.375 2.912 20.787 1.00 17.56 C ATOM 379 C ALA A 47 30.200 1.674 20.602 1.00 18.96 C ATOM 380 O ALA A 47 29.678 0.631 20.207 1.00 22.82 O ATOM 381 CB ALA A 47 29.798 3.958 19.772 1.00 18.11 C ATOM 382 N GLY A 48 31.467 1.766 20.975 1.00 17.35 N ATOM 383 CA GLY A 48 32.350 0.631 20.827 1.00 19.65 C ATOM 384 C GLY A 48 31.826 -0.611 21.518 1.00 21.16 C ATOM 385 O GLY A 48 31.762 -1.693 20.920 1.00 21.89 O ATOM 386 N ASP A 49 31.382 -0.425 22.753 1.00 19.84 N ATOM 387 CA ASP A 49 30.866 -1.508 23.570 1.00 22.33 C ATOM 388 C ASP A 49 29.447 -1.958 23.215 1.00 22.23 C ATOM 389 O ASP A 49 29.030 -3.031 23.651 1.00 23.41 O ATOM 390 CB ASP A 49 30.809 -1.073 25.049 1.00 23.28 C ATOM 391 CG ASP A 49 32.181 -0.943 25.722 1.00 24.22 C ATOM 392 OD1 ASP A 49 33.232 -1.194 25.100 1.00 26.86 O ATOM 393 OD2 ASP A 49 32.203 -0.594 26.920 1.00 23.72 O ATOM 394 N ARG A 50 28.721 -1.158 22.429 1.00 20.66 N ATOM 395 CA ARG A 50 27.312 -1.413 22.141 1.00 17.80 C ATOM 396 C ARG A 50 26.530 -1.717 23.443 1.00 15.56 C ATOM 397 O ARG A 50 25.683 -2.625 23.512 1.00 14.63 O ATOM 398 CB ARG A 50 27.077 -2.442 21.018 1.00 21.18 C ATOM 399 CG ARG A 50 28.178 -3.484 20.763 1.00 25.52 C ATOM 400 CD ARG A 50 28.116 -4.032 19.317 1.00 25.11 C ATOM 401 NE ARG A 50 28.633 -3.090 18.326 1.00 26.95 N ATOM 402 CZ ARG A 50 27.943 -2.076 17.803 1.00 26.82 C ATOM 403 NH1 ARG A 50 26.691 -1.854 18.166 1.00 27.48 N ATOM 404 NH2 ARG A 50 28.513 -1.273 16.914 1.00 27.11 N ATOM 405 N SER A 51 26.861 -0.952 24.485 1.00 10.53 N ATOM 406 CA SER A 51 26.218 -1.032 25.799 1.00 11.80 C ATOM 407 C SER A 51 26.578 0.213 26.645 1.00 9.83 C ATOM 408 O SER A 51 27.316 1.088 26.193 1.00 8.28 O ATOM 409 CB SER A 51 26.560 -2.350 26.557 1.00 11.98 C ATOM 410 OG SER A 51 27.933 -2.676 26.483 1.00 14.76 O ATOM 411 N THR A 52 26.000 0.294 27.837 1.00 8.87 N ATOM 412 CA THR A 52 26.246 1.392 28.763 1.00 7.21 C ATOM 413 C THR A 52 27.410 1.025 29.681 1.00 6.76 C ATOM 414 O THR A 52 27.528 -0.134 30.088 1.00 7.28 O ATOM 415 CB THR A 52 25.006 1.677 29.646 1.00 7.99 C ATOM 416 OG1 THR A 52 23.888 2.036 28.820 1.00 10.48 O ATOM 417 CG2 THR A 52 25.302 2.844 30.676 1.00 4.79 C ATOM 418 N ASP A 53 28.248 2.026 29.969 1.00 5.53 N ATOM 419 CA ASP A 53 29.404 1.935 30.822 1.00 4.23 C ATOM 420 C ASP A 53 29.006 2.552 32.163 1.00 6.53 C ATOM 421 O ASP A 53 28.447 3.665 32.225 1.00 4.78 O ATOM 422 CB ASP A 53 30.568 2.738 30.228 1.00 7.09 C ATOM 423 CG ASP A 53 31.249 2.033 29.092 1.00 7.23 C ATOM 424 OD1 ASP A 53 30.945 0.853 28.866 1.00 11.64 O ATOM 425 OD2 ASP A 53 32.103 2.643 28.423 1.00 10.69 O ATOM 426 N TYR A 54 29.393 1.852 33.220 1.00 5.21 N ATOM 427 CA TYR A 54 29.078 2.218 34.594 1.00 7.54 C ATOM 428 C TYR A 54 30.214 2.697 35.505 1.00 6.40 C ATOM 429 O TYR A 54 31.255 2.040 35.654 1.00 5.36 O ATOM 430 CB TYR A 54 28.311 1.056 35.271 1.00 7.67 C ATOM 431 CG TYR A 54 26.969 0.781 34.637 1.00 6.73 C ATOM 432 CD1 TYR A 54 26.864 0.016 33.485 1.00 6.55 C ATOM 433 CD2 TYR A 54 25.830 1.420 35.099 1.00 9.88 C ATOM 434 CE1 TYR A 54 25.664 -0.088 32.797 1.00 5.89 C ATOM 435 CE2 TYR A 54 24.616 1.321 34.414 1.00 10.96 C ATOM 436 CZ TYR A 54 24.543 0.564 33.251 1.00 10.41 C ATOM 437 OH TYR A 54 23.337 0.522 32.541 1.00 11.91 O ATOM 438 N GLY A 55 29.987 3.887 36.062 1.00 6.33 N ATOM 439 CA GLY A 55 30.882 4.515 37.019 1.00 6.62 C ATOM 440 C GLY A 55 32.298 5.007 36.792 1.00 6.16 C ATOM 441 O GLY A 55 32.741 5.371 35.705 1.00 5.98 O ATOM 442 N ILE A 56 33.021 4.974 37.901 1.00 7.56 N ATOM 443 CA ILE A 56 34.365 5.458 37.975 1.00 9.70 C ATOM 444 C ILE A 56 35.236 4.818 36.906 1.00 8.06 C ATOM 445 O ILE A 56 35.990 5.516 36.207 1.00 7.81 O ATOM 446 CB ILE A 56 34.902 5.258 39.435 1.00 10.47 C ATOM 447 CG1 ILE A 56 35.716 6.479 39.905 1.00 15.88 C ATOM 448 CG2 ILE A 56 35.658 3.956 39.561 1.00 9.24 C ATOM 449 CD1 ILE A 56 34.898 7.568 40.556 1.00 14.66 C ATOM 450 N PHE A 57 35.053 3.522 36.700 1.00 7.27 N ATOM 451 CA PHE A 57 35.870 2.801 35.724 1.00 8.15 C ATOM 452 C PHE A 57 35.242 2.533 34.347 1.00 8.36 C ATOM 453 O PHE A 57 35.910 1.984 33.440 1.00 5.86 O ATOM 454 CB PHE A 57 36.409 1.504 36.349 1.00 8.18 C ATOM 455 CG PHE A 57 37.412 1.740 37.441 1.00 9.31 C ATOM 456 CD1 PHE A 57 38.566 2.484 37.193 1.00 9.95 C ATOM 457 CD2 PHE A 57 37.186 1.261 38.727 1.00 10.06 C ATOM 458 CE1 PHE A 57 39.487 2.756 38.208 1.00 11.06 C ATOM 459 CE2 PHE A 57 38.094 1.523 39.754 1.00 10.30 C ATOM 460 CZ PHE A 57 39.243 2.272 39.490 1.00 10.25 C ATOM 461 N GLN A 58 33.992 2.985 34.213 1.00 6.45 N ATOM 462 CA GLN A 58 33.159 2.848 33.021 1.00 9.40 C ATOM 463 C GLN A 58 33.109 1.397 32.557 1.00 8.93 C ATOM 464 O GLN A 58 33.335 1.100 31.384 1.00 11.23 O ATOM 465 CB GLN A 58 33.631 3.781 31.904 1.00 6.12 C ATOM 466 CG GLN A 58 33.319 5.222 32.187 1.00 8.86 C ATOM 467 CD GLN A 58 31.845 5.545 32.101 1.00 9.09 C ATOM 468 OE1 GLN A 58 31.323 5.729 31.010 1.00 8.68 O ATOM 469 NE2 GLN A 58 31.178 5.649 33.240 1.00 5.92 N ATOM 470 N ILE A 59 32.766 0.516 33.491 1.00 9.97 N ATOM 471 CA ILE A 59 32.666 -0.939 33.248 1.00 9.69 C ATOM 472 C ILE A 59 31.353 -1.237 32.511 1.00 7.25 C ATOM 473 O ILE A 59 30.300 -0.701 32.895 1.00 5.26 O ATOM 474 CB ILE A 59 32.711 -1.715 34.610 1.00 9.39 C ATOM 475 CG1 ILE A 59 34.167 -1.856 35.085 1.00 11.44 C ATOM 476 CG2 ILE A 59 32.050 -3.107 34.489 1.00 9.55 C ATOM 477 CD1 ILE A 59 35.124 -0.811 34.565 1.00 15.47 C ATOM 478 N ASN A 60 31.407 -2.125 31.511 1.00 8.12 N ATOM 479 CA ASN A 60 30.197 -2.438 30.725 1.00 9.18 C ATOM 480 C ASN A 60 29.195 -3.489 31.233 1.00 7.67 C ATOM 481 O ASN A 60 29.526 -4.407 31.990 1.00 9.48 O ATOM 482 CB ASN A 60 30.532 -2.617 29.220 1.00 10.69 C ATOM 483 CG ASN A 60 31.041 -4.015 28.868 1.00 10.72 C ATOM 484 OD1 ASN A 60 30.518 -5.032 29.350 1.00 15.16 O ATOM 485 ND2 ASN A 60 32.015 -4.073 27.977 1.00 13.82 N ATOM 486 N SER A 61 27.932 -3.272 30.911 1.00 7.14 N ATOM 487 CA SER A 61 26.901 -4.213 31.319 1.00 9.03 C ATOM 488 C SER A 61 26.788 -5.352 30.285 1.00 9.05 C ATOM 489 O SER A 61 26.011 -6.285 30.468 1.00 11.49 O ATOM 490 CB SER A 61 25.555 -3.507 31.485 1.00 9.93 C ATOM 491 OG SER A 61 25.255 -2.794 30.297 1.00 14.36 O ATOM 492 N ARG A 62 27.531 -5.245 29.187 1.00 9.90 N ATOM 493 CA ARG A 62 27.509 -6.285 28.160 1.00 11.60 C ATOM 494 C ARG A 62 28.095 -7.580 28.711 1.00 10.06 C ATOM 495 O ARG A 62 27.507 -8.637 28.517 1.00 9.43 O ATOM 496 CB ARG A 62 28.310 -5.868 26.920 1.00 11.99 C ATOM 497 CG ARG A 62 28.172 -6.831 25.741 1.00 11.89 C ATOM 498 CD ARG A 62 28.356 -6.066 24.439 1.00 17.04 C ATOM 499 NE ARG A 62 28.484 -6.965 23.301 1.00 20.53 N ATOM 500 CZ ARG A 62 29.326 -6.789 22.288 1.00 21.63 C ATOM 501 NH1 ARG A 62 30.141 -5.731 22.241 1.00 23.20 N ATOM 502 NH2 ARG A 62 29.365 -7.694 21.325 1.00 22.47 N ATOM 503 N TYR A 63 29.232 -7.479 29.404 1.00 9.39 N ATOM 504 CA TYR A 63 29.906 -8.641 29.966 1.00 10.78 C ATOM 505 C TYR A 63 30.109 -8.698 31.482 1.00 11.71 C ATOM 506 O TYR A 63 30.120 -9.780 32.068 1.00 10.21 O ATOM 507 CB TYR A 63 31.301 -8.756 29.374 1.00 11.05 C ATOM 508 CG TYR A 63 31.359 -8.935 27.888 1.00 15.07 C ATOM 509 CD1 TYR A 63 30.684 -9.989 27.261 1.00 16.39 C ATOM 510 CD2 TYR A 63 32.154 -8.083 27.108 1.00 17.01 C ATOM 511 CE1 TYR A 63 30.806 -10.207 25.889 1.00 19.76 C ATOM 512 CE2 TYR A 63 32.287 -8.283 25.725 1.00 22.53 C ATOM 513 CZ TYR A 63 31.611 -9.353 25.124 1.00 22.16 C ATOM 514 OH TYR A 63 31.767 -9.569 23.772 1.00 26.14 O ATOM 515 N TRP A 64 30.246 -7.545 32.126 1.00 11.77 N ATOM 516 CA TRP A 64 30.590 -7.522 33.565 1.00 10.26 C ATOM 517 C TRP A 64 29.569 -7.396 34.691 1.00 9.56 C ATOM 518 O TRP A 64 29.786 -7.956 35.776 1.00 9.59 O ATOM 519 CB TRP A 64 31.721 -6.519 33.782 1.00 9.65 C ATOM 520 CG TRP A 64 32.817 -6.713 32.782 1.00 11.32 C ATOM 521 CD1 TRP A 64 33.029 -5.979 31.645 1.00 11.22 C ATOM 522 CD2 TRP A 64 33.828 -7.727 32.803 1.00 10.88 C ATOM 523 NE1 TRP A 64 34.110 -6.475 30.958 1.00 12.43 N ATOM 524 CE2 TRP A 64 34.623 -7.548 31.640 1.00 11.25 C ATOM 525 CE3 TRP A 64 34.148 -8.771 33.697 1.00 13.83 C ATOM 526 CZ2 TRP A 64 35.731 -8.375 31.336 1.00 11.11 C ATOM 527 CZ3 TRP A 64 35.256 -9.607 33.396 1.00 14.01 C ATOM 528 CH2 TRP A 64 36.032 -9.394 32.218 1.00 13.35 C ATOM 529 N CYS A 65 28.504 -6.628 34.483 1.00 9.14 N ATOM 530 CA CYS A 65 27.492 -6.469 35.528 1.00 9.30 C ATOM 531 C CYS A 65 26.118 -6.688 34.950 1.00 8.69 C ATOM 532 O CYS A 65 25.927 -6.605 33.731 1.00 7.87 O ATOM 533 CB CYS A 65 27.580 -5.083 36.212 1.00 7.90 C ATOM 534 SG CYS A 65 27.461 -3.600 35.143 1.00 10.54 S ATOM 535 N ASN A 66 25.190 -7.071 35.807 1.00 10.11 N ATOM 536 CA ASN A 66 23.827 -7.279 35.377 1.00 11.49 C ATOM 537 C ASN A 66 22.992 -6.000 35.602 1.00 11.40 C ATOM 538 O ASN A 66 22.820 -5.521 36.728 1.00 11.97 O ATOM 539 CB ASN A 66 23.207 -8.442 36.144 1.00 14.40 C ATOM 540 CG ASN A 66 21.831 -8.841 35.601 1.00 16.28 C ATOM 541 OD1 ASN A 66 21.113 -8.042 34.996 1.00 17.58 O ATOM 542 ND2 ASN A 66 21.482 -10.091 35.790 1.00 18.06 N ATOM 543 N HIS A 67 22.507 -5.438 34.514 1.00 11.18 N ATOM 544 CA HIS A 67 21.686 -4.261 34.583 1.00 14.12 C ATOM 545 C HIS A 67 20.203 -4.656 34.523 1.00 15.10 C ATOM 546 O HIS A 67 19.785 -5.370 33.608 1.00 17.09 O ATOM 547 CB HIS A 67 22.023 -3.314 33.422 1.00 14.89 C ATOM 548 CG HIS A 67 21.277 -2.014 33.480 1.00 19.05 C ATOM 549 ND1 HIS A 67 21.248 -1.221 34.613 1.00 18.64 N ATOM 550 CD2 HIS A 67 20.467 -1.411 32.578 1.00 19.82 C ATOM 551 CE1 HIS A 67 20.449 -0.190 34.403 1.00 20.65 C ATOM 552 NE2 HIS A 67 19.961 -0.282 33.177 1.00 21.49 N ATOM 553 N GLY A 68 19.433 -4.250 35.528 1.00 15.22 N ATOM 554 CA GLY A 68 18.004 -4.512 35.534 1.00 18.39 C ATOM 555 C GLY A 68 17.512 -5.936 35.628 1.00 20.98 C ATOM 556 O GLY A 68 16.568 -6.297 34.927 1.00 20.38 O ATOM 557 N LYS A 69 18.133 -6.742 36.490 1.00 22.19 N ATOM 558 CA LYS A 69 17.739 -8.144 36.701 1.00 24.61 C ATOM 559 C LYS A 69 17.539 -8.997 35.435 1.00 24.91 C ATOM 560 O LYS A 69 16.635 -9.840 35.389 1.00 23.89 O ATOM 561 CB LYS A 69 16.451 -8.224 37.534 1.00 26.04 C ATOM 562 CG LYS A 69 15.169 -8.023 36.701 1.00 29.61 C ATOM 563 CD LYS A 69 14.199 -9.226 36.693 1.00 31.45 C ATOM 564 CE LYS A 69 13.632 -9.520 38.090 1.00 33.06 C ATOM 565 NZ LYS A 69 12.384 -10.352 38.087 1.00 31.97 N ATOM 566 N THR A 70 18.403 -8.839 34.438 1.00 24.75 N ATOM 567 CA THR A 70 18.247 -9.622 33.214 1.00 25.01 C ATOM 568 C THR A 70 18.591 -11.062 33.490 1.00 24.48 C ATOM 569 O THR A 70 19.672 -11.350 33.993 1.00 23.50 O ATOM 570 CB THR A 70 19.188 -9.171 32.091 1.00 26.59 C ATOM 571 OG1 THR A 70 19.063 -7.758 31.879 1.00 30.45 O ATOM 572 CG2 THR A 70 18.826 -9.900 30.802 1.00 28.01 C ATOM 573 N PRO A 71 17.657 -11.985 33.229 1.00 24.08 N ATOM 574 CA PRO A 71 17.997 -13.383 33.489 1.00 24.41 C ATOM 575 C PRO A 71 19.217 -13.771 32.651 1.00 24.29 C ATOM 576 O PRO A 71 20.164 -14.388 33.161 1.00 25.69 O ATOM 577 CB PRO A 71 16.726 -14.114 33.068 1.00 24.04 C ATOM 578 CG PRO A 71 15.663 -13.122 33.526 1.00 24.10 C ATOM 579 CD PRO A 71 16.217 -11.832 32.968 1.00 23.34 C ATOM 580 N GLY A 72 19.244 -13.305 31.402 1.00 24.18 N ATOM 581 CA GLY A 72 20.370 -13.610 30.538 1.00 23.68 C ATOM 582 C GLY A 72 21.553 -12.640 30.576 1.00 23.00 C ATOM 583 O GLY A 72 21.969 -12.177 29.511 1.00 24.49 O ATOM 584 N ALA A 73 22.130 -12.343 31.743 1.00 18.61 N ATOM 585 CA ALA A 73 23.271 -11.427 31.772 1.00 15.76 C ATOM 586 C ALA A 73 24.507 -12.260 32.006 1.00 15.90 C ATOM 587 O ALA A 73 24.454 -13.228 32.775 1.00 17.25 O ATOM 588 CB ALA A 73 23.122 -10.404 32.874 1.00 12.50 C ATOM 589 N VAL A 74 25.616 -11.916 31.351 1.00 14.21 N ATOM 590 CA VAL A 74 26.876 -12.661 31.557 1.00 14.06 C ATOM 591 C VAL A 74 27.316 -12.432 33.009 1.00 13.85 C ATOM 592 O VAL A 74 27.619 -13.379 33.744 1.00 10.40 O ATOM 593 CB VAL A 74 27.960 -12.206 30.572 1.00 12.88 C ATOM 594 CG1 VAL A 74 29.347 -12.701 31.007 1.00 10.63 C ATOM 595 CG2 VAL A 74 27.600 -12.753 29.157 1.00 14.59 C ATOM 596 N ASN A 75 27.308 -11.145 33.391 1.00 14.53 N ATOM 597 CA ASN A 75 27.619 -10.669 34.735 1.00 13.50 C ATOM 598 C ASN A 75 28.866 -11.308 35.333 1.00 14.28 C ATOM 599 O ASN A 75 28.813 -11.971 36.408 1.00 14.91 O ATOM 600 CB ASN A 75 26.397 -10.892 35.629 1.00 13.39 C ATOM 601 CG ASN A 75 26.512 -10.182 36.949 1.00 11.70 C ATOM 602 OD1 ASN A 75 27.415 -9.383 37.157 1.00 8.68 O ATOM 603 ND2 ASN A 75 25.601 -10.489 37.857 1.00 13.01 N ATOM 604 N ALA A 76 29.985 -11.104 34.629 1.00 12.81 N ATOM 605 CA ALA A 76 31.285 -11.648 35.024 1.00 11.86 C ATOM 606 C ALA A 76 31.704 -11.247 36.441 1.00 11.99 C ATOM 607 O ALA A 76 32.371 -12.025 37.142 1.00 11.17 O ATOM 608 CB ALA A 76 32.342 -11.255 34.022 1.00 10.81 C ATOM 609 N CYS A 77 31.276 -10.058 36.872 1.00 12.00 N ATOM 610 CA CYS A 77 31.592 -9.560 38.207 1.00 12.58 C ATOM 611 C CYS A 77 30.548 -9.929 39.239 1.00 14.11 C ATOM 612 O CYS A 77 30.749 -9.652 40.430 1.00 16.19 O ATOM 613 CB CYS A 77 31.811 -8.043 38.197 1.00 9.52 C ATOM 614 SG CYS A 77 33.323 -7.587 37.266 1.00 9.28 S ATOM 615 N HIS A 78 29.483 -10.607 38.792 1.00 15.64 N ATOM 616 CA HIS A 78 28.367 -11.024 39.647 1.00 17.88 C ATOM 617 C HIS A 78 27.922 -9.878 40.569 1.00 18.34 C ATOM 618 O HIS A 78 27.952 -9.994 41.795 1.00 18.33 O ATOM 619 CB HIS A 78 28.738 -12.244 40.479 1.00 22.44 C ATOM 620 CG HIS A 78 27.613 -12.749 41.330 1.00 27.19 C ATOM 621 ND1 HIS A 78 27.581 -12.572 42.697 1.00 29.23 N ATOM 622 CD2 HIS A 78 26.504 -13.466 41.017 1.00 29.00 C ATOM 623 CE1 HIS A 78 26.512 -13.168 43.193 1.00 29.97 C ATOM 624 NE2 HIS A 78 25.841 -13.717 42.195 1.00 30.46 N ATOM 625 N LEU A 79 27.566 -8.755 39.953 1.00 17.00 N ATOM 626 CA LEU A 79 27.117 -7.567 40.653 1.00 14.96 C ATOM 627 C LEU A 79 26.098 -6.890 39.787 1.00 12.02 C ATOM 628 O LEU A 79 26.125 -7.011 38.557 1.00 8.93 O ATOM 629 CB LEU A 79 28.268 -6.561 40.830 1.00 18.68 C ATOM 630 CG LEU A 79 28.978 -6.449 42.175 1.00 21.20 C ATOM 631 CD1 LEU A 79 27.903 -6.548 43.250 1.00 22.28 C ATOM 632 CD2 LEU A 79 30.021 -7.543 42.352 1.00 22.18 C ATOM 633 N SER A 80 25.218 -6.149 40.449 1.00 11.63 N ATOM 634 CA SER A 80 24.220 -5.342 39.772 1.00 11.54 C ATOM 635 C SER A 80 24.984 -4.089 39.270 1.00 10.28 C ATOM 636 O SER A 80 25.887 -3.587 39.960 1.00 9.03 O ATOM 637 CB SER A 80 23.121 -4.940 40.772 1.00 11.11 C ATOM 638 OG SER A 80 23.688 -4.436 41.966 1.00 12.82 O ATOM 639 N CYS A 81 24.671 -3.621 38.061 1.00 8.54 N ATOM 640 CA CYS A 81 25.317 -2.427 37.541 1.00 8.34 C ATOM 641 C CYS A 81 25.228 -1.230 38.494 1.00 9.98 C ATOM 642 O CYS A 81 26.137 -0.393 38.508 1.00 6.92 O ATOM 643 CB CYS A 81 24.722 -2.053 36.188 1.00 8.91 C ATOM 644 SG CYS A 81 25.091 -3.278 34.914 1.00 9.68 S ATOM 645 N SER A 82 24.152 -1.168 39.301 1.00 12.36 N ATOM 646 CA SER A 82 23.928 -0.066 40.284 1.00 14.22 C ATOM 647 C SER A 82 24.994 0.022 41.400 1.00 12.97 C ATOM 648 O SER A 82 25.338 1.112 41.886 1.00 13.00 O ATOM 649 CB SER A 82 22.514 -0.162 40.901 1.00 13.63 C ATOM 650 OG SER A 82 22.257 -1.470 41.395 1.00 18.41 O ATOM 651 N ALA A 83 25.519 -1.139 41.787 1.00 13.66 N ATOM 652 CA ALA A 83 26.542 -1.240 42.818 1.00 12.11 C ATOM 653 C ALA A 83 27.814 -0.514 42.336 1.00 12.88 C ATOM 654 O ALA A 83 28.622 -0.078 43.151 1.00 12.69 O ATOM 655 CB ALA A 83 26.823 -2.734 43.130 1.00 11.38 C ATOM 656 N LEU A 84 27.987 -0.389 41.018 1.00 10.87 N ATOM 657 CA LEU A 84 29.152 0.292 40.469 1.00 12.91 C ATOM 658 C LEU A 84 28.913 1.782 40.372 1.00 12.38 C ATOM 659 O LEU A 84 29.709 2.473 39.744 1.00 12.76 O ATOM 660 CB LEU A 84 29.537 -0.240 39.076 1.00 14.08 C ATOM 661 CG LEU A 84 29.773 -1.757 38.925 1.00 16.70 C ATOM 662 CD1 LEU A 84 30.122 -2.087 37.455 1.00 16.91 C ATOM 663 CD2 LEU A 84 30.854 -2.260 39.904 1.00 15.47 C ATOM 664 N LEU A 85 27.775 2.257 40.878 1.00 12.83 N ATOM 665 CA LEU A 85 27.491 3.706 40.866 1.00 15.20 C ATOM 666 C LEU A 85 27.456 4.309 42.286 1.00 16.34 C ATOM 667 O LEU A 85 27.153 5.501 42.472 1.00 17.86 O ATOM 668 CB LEU A 85 26.198 4.028 40.096 1.00 15.18 C ATOM 669 CG LEU A 85 26.140 3.717 38.582 1.00 14.52 C ATOM 670 CD1 LEU A 85 24.748 4.064 38.060 1.00 15.55 C ATOM 671 CD2 LEU A 85 27.203 4.475 37.816 1.00 12.35 C ATOM 672 N GLN A 86 27.854 3.488 43.260 1.00 16.78 N ATOM 673 CA GLN A 86 27.888 3.837 44.687 1.00 16.29 C ATOM 674 C GLN A 86 29.027 4.746 45.051 1.00 14.60 C ATOM 675 O GLN A 86 30.031 4.805 44.363 1.00 9.55 O ATOM 676 CB GLN A 86 28.115 2.593 45.553 1.00 18.52 C ATOM 677 CG GLN A 86 27.196 1.444 45.385 1.00 21.43 C ATOM 678 CD GLN A 86 27.578 0.386 46.367 1.00 23.21 C ATOM 679 OE1 GLN A 86 27.409 0.567 47.578 1.00 26.21 O ATOM 680 NE2 GLN A 86 28.188 -0.682 45.882 1.00 25.01 N ATOM 681 N ASP A 87 28.933 5.264 46.268 1.00 13.73 N ATOM 682 CA ASP A 87 29.936 6.161 46.805 1.00 15.38 C ATOM 683 C ASP A 87 31.111 5.356 47.371 1.00 13.66 C ATOM 684 O ASP A 87 32.266 5.811 47.373 1.00 14.80 O ATOM 685 CB ASP A 87 29.266 7.052 47.854 1.00 19.36 C ATOM 686 CG ASP A 87 28.027 7.752 47.299 1.00 22.19 C ATOM 687 OD1 ASP A 87 28.114 8.249 46.153 1.00 23.49 O ATOM 688 OD2 ASP A 87 26.964 7.765 47.978 1.00 25.44 O ATOM 689 N ASN A 88 30.816 4.148 47.839 1.00 12.28 N ATOM 690 CA ASN A 88 31.846 3.252 48.342 1.00 10.96 C ATOM 691 C ASN A 88 32.305 2.453 47.116 1.00 8.66 C ATOM 692 O ASN A 88 31.555 1.661 46.602 1.00 7.49 O ATOM 693 CB ASN A 88 31.239 2.336 49.384 1.00 13.35 C ATOM 694 CG ASN A 88 32.202 1.304 49.871 1.00 15.86 C ATOM 695 OD1 ASN A 88 33.130 0.919 49.155 1.00 18.57 O ATOM 696 ND2 ASN A 88 31.985 0.823 51.083 1.00 18.39 N ATOM 697 N ILE A 89 33.543 2.642 46.680 1.00 8.46 N ATOM 698 CA ILE A 89 34.040 2.000 45.452 1.00 8.75 C ATOM 699 C ILE A 89 34.680 0.639 45.562 1.00 8.19 C ATOM 700 O ILE A 89 35.346 0.188 44.616 1.00 4.44 O ATOM 701 CB ILE A 89 35.013 2.935 44.598 1.00 10.26 C ATOM 702 CG1 ILE A 89 36.351 3.220 45.346 1.00 9.79 C ATOM 703 CG2 ILE A 89 34.232 4.192 44.067 1.00 8.75 C ATOM 704 CD1 ILE A 89 37.387 4.023 44.537 1.00 4.71 C ATOM 705 N ALA A 90 34.532 0.003 46.721 1.00 7.28 N ATOM 706 CA ALA A 90 35.095 -1.325 46.907 1.00 6.84 C ATOM 707 C ALA A 90 34.613 -2.303 45.788 1.00 6.77 C ATOM 708 O ALA A 90 35.440 -2.976 45.171 1.00 5.78 O ATOM 709 CB ALA A 90 34.719 -1.864 48.311 1.00 7.34 C ATOM 710 N ASP A 91 33.306 -2.301 45.488 1.00 8.53 N ATOM 711 CA ASP A 91 32.730 -3.185 44.456 1.00 8.67 C ATOM 712 C ASP A 91 33.323 -2.891 43.052 1.00 8.20 C ATOM 713 O ASP A 91 33.739 -3.834 42.327 1.00 5.94 O ATOM 714 CB ASP A 91 31.179 -3.098 44.442 1.00 10.85 C ATOM 715 CG ASP A 91 30.508 -3.963 45.534 1.00 13.44 C ATOM 716 OD1 ASP A 91 31.162 -4.884 46.089 1.00 14.97 O ATOM 717 OD2 ASP A 91 29.324 -3.697 45.871 1.00 15.19 O ATOM 718 N ALA A 92 33.397 -1.600 42.695 1.00 5.17 N ATOM 719 CA ALA A 92 33.981 -1.171 41.404 1.00 4.69 C ATOM 720 C ALA A 92 35.477 -1.605 41.286 1.00 5.42 C ATOM 721 O ALA A 92 35.925 -2.004 40.228 1.00 3.66 O ATOM 722 CB ALA A 92 33.829 0.349 41.209 1.00 3.92 C ATOM 723 N VAL A 93 36.235 -1.534 42.383 1.00 5.62 N ATOM 724 CA VAL A 93 37.641 -1.945 42.377 1.00 8.68 C ATOM 725 C VAL A 93 37.729 -3.474 42.220 1.00 8.68 C ATOM 726 O VAL A 93 38.556 -3.989 41.444 1.00 7.20 O ATOM 727 CB VAL A 93 38.400 -1.472 43.667 1.00 9.55 C ATOM 728 CG1 VAL A 93 39.817 -2.108 43.742 1.00 9.28 C ATOM 729 CG2 VAL A 93 38.510 0.061 43.671 1.00 10.61 C ATOM 730 N ALA A 94 36.870 -4.196 42.935 1.00 7.19 N ATOM 731 CA ALA A 94 36.874 -5.656 42.817 1.00 8.21 C ATOM 732 C ALA A 94 36.590 -6.130 41.346 1.00 6.33 C ATOM 733 O ALA A 94 37.219 -7.052 40.815 1.00 4.23 O ATOM 734 CB ALA A 94 35.868 -6.270 43.806 1.00 6.02 C ATOM 735 N CYS A 95 35.645 -5.463 40.715 1.00 6.42 N ATOM 736 CA CYS A 95 35.262 -5.741 39.355 1.00 5.53 C ATOM 737 C CYS A 95 36.353 -5.270 38.352 1.00 5.45 C ATOM 738 O CYS A 95 36.642 -5.972 37.381 1.00 4.50 O ATOM 739 CB CYS A 95 33.897 -5.086 39.126 1.00 5.63 C ATOM 740 SG CYS A 95 33.198 -5.282 37.489 1.00 9.94 S ATOM 741 N ALA A 96 37.015 -4.131 38.593 1.00 3.82 N ATOM 742 CA ALA A 96 38.062 -3.675 37.667 1.00 2.57 C ATOM 743 C ALA A 96 39.284 -4.612 37.713 1.00 2.78 C ATOM 744 O ALA A 96 39.974 -4.842 36.723 1.00 2.00 O ATOM 745 CB ALA A 96 38.461 -2.229 37.981 1.00 4.01 C ATOM 746 N LYS A 97 39.528 -5.156 38.893 1.00 2.43 N ATOM 747 CA LYS A 97 40.621 -6.100 39.101 1.00 5.33 C ATOM 748 C LYS A 97 40.363 -7.311 38.208 1.00 3.75 C ATOM 749 O LYS A 97 41.282 -7.826 37.566 1.00 5.99 O ATOM 750 CB LYS A 97 40.681 -6.526 40.578 1.00 6.12 C ATOM 751 CG LYS A 97 41.464 -5.567 41.444 1.00 6.82 C ATOM 752 CD LYS A 97 41.475 -5.980 42.903 1.00 5.75 C ATOM 753 CE LYS A 97 42.427 -5.084 43.656 1.00 9.17 C ATOM 754 NZ LYS A 97 42.549 -5.375 45.105 1.00 8.32 N ATOM 755 N ARG A 98 39.095 -7.724 38.168 1.00 4.65 N ATOM 756 CA ARG A 98 38.643 -8.846 37.352 1.00 6.73 C ATOM 757 C ARG A 98 38.832 -8.567 35.852 1.00 7.78 C ATOM 758 O ARG A 98 39.354 -9.432 35.119 1.00 8.12 O ATOM 759 CB ARG A 98 37.198 -9.209 37.683 1.00 8.37 C ATOM 760 CG ARG A 98 36.730 -10.409 36.910 1.00 14.72 C ATOM 761 CD ARG A 98 35.363 -10.857 37.334 1.00 19.44 C ATOM 762 NE ARG A 98 35.365 -11.474 38.661 1.00 24.71 N ATOM 763 CZ ARG A 98 36.023 -12.592 39.003 1.00 26.80 C ATOM 764 NH1 ARG A 98 36.800 -13.216 38.121 1.00 27.87 N ATOM 765 NH2 ARG A 98 35.932 -13.068 40.251 1.00 25.32 N ATOM 766 N VAL A 99 38.460 -7.363 35.403 1.00 6.75 N ATOM 767 CA VAL A 99 38.646 -6.969 33.998 1.00 8.21 C ATOM 768 C VAL A 99 40.108 -7.059 33.521 1.00 9.48 C ATOM 769 O VAL A 99 40.391 -7.572 32.415 1.00 10.04 O ATOM 770 CB VAL A 99 38.159 -5.525 33.744 1.00 7.55 C ATOM 771 CG1 VAL A 99 38.405 -5.123 32.260 1.00 9.51 C ATOM 772 CG2 VAL A 99 36.715 -5.401 34.117 1.00 7.53 C ATOM 773 N VAL A 100 41.035 -6.523 34.313 1.00 8.66 N ATOM 774 CA VAL A 100 42.450 -6.563 33.920 1.00 11.36 C ATOM 775 C VAL A 100 43.092 -7.942 33.957 1.00 11.79 C ATOM 776 O VAL A 100 44.210 -8.096 33.467 1.00 13.86 O ATOM 777 CB VAL A 100 43.362 -5.639 34.771 1.00 11.60 C ATOM 778 CG1 VAL A 100 43.049 -4.188 34.489 1.00 13.79 C ATOM 779 CG2 VAL A 100 43.298 -6.017 36.261 1.00 8.81 C ATOM 780 N ARG A 101 42.453 -8.886 34.657 1.00 12.62 N ATOM 781 CA ARG A 101 42.935 -10.275 34.731 1.00 15.13 C ATOM 782 C ARG A 101 42.719 -11.058 33.392 1.00 14.01 C ATOM 783 O ARG A 101 43.312 -12.122 33.198 1.00 13.59 O ATOM 784 CB ARG A 101 42.276 -11.035 35.905 1.00 14.64 C ATOM 785 CG ARG A 101 42.608 -10.478 37.273 1.00 17.04 C ATOM 786 CD ARG A 101 42.466 -11.517 38.369 1.00 18.78 C ATOM 787 NE ARG A 101 41.089 -11.858 38.715 1.00 20.96 N ATOM 788 CZ ARG A 101 40.311 -11.146 39.537 1.00 22.41 C ATOM 789 NH1 ARG A 101 40.762 -10.025 40.087 1.00 23.19 N ATOM 790 NH2 ARG A 101 39.121 -11.610 39.904 1.00 20.21 N ATOM 791 N ASP A 102 41.866 -10.540 32.494 1.00 15.05 N ATOM 792 CA ASP A 102 41.631 -11.208 31.216 1.00 14.11 C ATOM 793 C ASP A 102 42.761 -10.851 30.248 1.00 14.38 C ATOM 794 O ASP A 102 43.518 -9.916 30.509 1.00 12.80 O ATOM 795 CB ASP A 102 40.206 -10.976 30.685 1.00 15.02 C ATOM 796 CG ASP A 102 39.978 -9.602 30.064 1.00 16.77 C ATOM 797 OD1 ASP A 102 40.909 -8.826 29.741 1.00 17.99 O ATOM 798 OD2 ASP A 102 38.785 -9.297 29.868 1.00 21.34 O ATOM 799 N PRO A 103 42.887 -11.570 29.109 1.00 14.61 N ATOM 800 CA PRO A 103 43.959 -11.320 28.126 1.00 13.98 C ATOM 801 C PRO A 103 44.320 -9.905 27.655 1.00 12.69 C ATOM 802 O PRO A 103 45.465 -9.667 27.263 1.00 14.63 O ATOM 803 CB PRO A 103 43.597 -12.251 26.954 1.00 15.08 C ATOM 804 CG PRO A 103 42.105 -12.427 27.096 1.00 17.66 C ATOM 805 CD PRO A 103 41.922 -12.561 28.589 1.00 15.40 C ATOM 806 N GLN A 104 43.377 -8.972 27.664 1.00 13.63 N ATOM 807 CA GLN A 104 43.708 -7.608 27.221 1.00 14.52 C ATOM 808 C GLN A 104 44.350 -6.711 28.319 1.00 13.84 C ATOM 809 O GLN A 104 45.093 -5.749 28.026 1.00 12.19 O ATOM 810 CB GLN A 104 42.503 -6.937 26.542 1.00 15.90 C ATOM 811 CG GLN A 104 41.197 -7.009 27.292 1.00 21.69 C ATOM 812 CD GLN A 104 39.979 -6.552 26.458 1.00 26.22 C ATOM 813 OE1 GLN A 104 40.116 -5.816 25.476 1.00 29.03 O ATOM 814 NE2 GLN A 104 38.781 -6.990 26.864 1.00 26.88 N ATOM 815 N GLY A 105 44.145 -7.076 29.584 1.00 12.11 N ATOM 816 CA GLY A 105 44.726 -6.286 30.666 1.00 9.75 C ATOM 817 C GLY A 105 44.209 -4.853 30.710 1.00 7.99 C ATOM 818 O GLY A 105 43.025 -4.606 30.567 1.00 6.64 O ATOM 819 N ILE A 106 45.115 -3.905 30.894 1.00 9.71 N ATOM 820 CA ILE A 106 44.768 -2.485 30.995 1.00 10.72 C ATOM 821 C ILE A 106 44.251 -1.964 29.641 1.00 9.77 C ATOM 822 O ILE A 106 43.401 -1.078 29.598 1.00 11.62 O ATOM 823 CB ILE A 106 46.005 -1.602 31.624 1.00 8.51 C ATOM 824 CG1 ILE A 106 45.533 -0.244 32.140 1.00 10.24 C ATOM 825 CG2 ILE A 106 47.117 -1.402 30.636 1.00 8.72 C ATOM 826 CD1 ILE A 106 44.611 -0.322 33.372 1.00 11.01 C ATOM 827 N ARG A 107 44.672 -2.593 28.551 1.00 11.77 N ATOM 828 CA ARG A 107 44.217 -2.201 27.203 1.00 11.70 C ATOM 829 C ARG A 107 42.719 -2.416 26.935 1.00 12.09 C ATOM 830 O ARG A 107 42.176 -1.849 25.997 1.00 13.25 O ATOM 831 CB ARG A 107 45.081 -2.882 26.145 1.00 10.59 C ATOM 832 CG ARG A 107 46.490 -2.445 26.355 1.00 14.10 C ATOM 833 CD ARG A 107 47.535 -3.035 25.447 1.00 17.30 C ATOM 834 NE ARG A 107 48.827 -2.463 25.843 1.00 21.52 N ATOM 835 CZ ARG A 107 49.449 -2.726 26.997 1.00 24.28 C ATOM 836 NH1 ARG A 107 48.922 -3.574 27.883 1.00 25.68 N ATOM 837 NH2 ARG A 107 50.568 -2.080 27.303 1.00 27.54 N ATOM 838 N ALA A 108 42.051 -3.201 27.786 1.00 11.35 N ATOM 839 CA ALA A 108 40.620 -3.426 27.672 1.00 10.68 C ATOM 840 C ALA A 108 39.899 -2.080 27.668 1.00 12.70 C ATOM 841 O ALA A 108 38.717 -2.022 27.347 1.00 14.27 O ATOM 842 CB ALA A 108 40.114 -4.243 28.837 1.00 11.79 C ATOM 843 N TRP A 109 40.564 -1.037 28.173 1.00 12.12 N ATOM 844 CA TRP A 109 39.990 0.318 28.195 1.00 12.42 C ATOM 845 C TRP A 109 40.649 1.123 27.058 1.00 11.42 C ATOM 846 O TRP A 109 41.848 1.441 27.105 1.00 10.58 O ATOM 847 CB TRP A 109 40.231 1.043 29.552 1.00 9.93 C ATOM 848 CG TRP A 109 39.377 0.565 30.739 1.00 9.24 C ATOM 849 CD1 TRP A 109 38.153 1.056 31.134 1.00 9.31 C ATOM 850 CD2 TRP A 109 39.717 -0.468 31.684 1.00 8.63 C ATOM 851 NE1 TRP A 109 37.718 0.393 32.275 1.00 10.21 N ATOM 852 CE2 TRP A 109 38.648 -0.545 32.631 1.00 8.54 C ATOM 853 CE3 TRP A 109 40.817 -1.336 31.826 1.00 10.06 C ATOM 854 CZ2 TRP A 109 38.649 -1.460 33.702 1.00 7.14 C ATOM 855 CZ3 TRP A 109 40.817 -2.258 32.911 1.00 7.66 C ATOM 856 CH2 TRP A 109 39.732 -2.303 33.830 1.00 5.12 C ATOM 857 N VAL A 110 39.867 1.433 26.027 1.00 11.86 N ATOM 858 CA VAL A 110 40.384 2.206 24.902 1.00 13.08 C ATOM 859 C VAL A 110 40.963 3.546 25.393 1.00 12.27 C ATOM 860 O VAL A 110 42.037 3.952 24.969 1.00 11.77 O ATOM 861 CB VAL A 110 39.273 2.423 23.857 1.00 14.40 C ATOM 862 CG1 VAL A 110 39.687 3.472 22.801 1.00 15.16 C ATOM 863 CG2 VAL A 110 38.903 1.076 23.217 1.00 16.50 C ATOM 864 N ALA A 111 40.278 4.174 26.352 1.00 14.00 N ATOM 865 CA ALA A 111 40.703 5.456 26.917 1.00 14.58 C ATOM 866 C ALA A 111 42.112 5.391 27.524 1.00 13.67 C ATOM 867 O ALA A 111 42.895 6.354 27.436 1.00 13.93 O ATOM 868 CB ALA A 111 39.681 5.956 27.948 1.00 14.44 C ATOM 869 N TRP A 112 42.460 4.253 28.106 1.00 11.03 N ATOM 870 CA TRP A 112 43.786 4.111 28.653 1.00 8.41 C ATOM 871 C TRP A 112 44.816 4.108 27.535 1.00 7.81 C ATOM 872 O TRP A 112 45.835 4.785 27.614 1.00 7.82 O ATOM 873 CB TRP A 112 43.921 2.832 29.487 1.00 9.21 C ATOM 874 CG TRP A 112 45.326 2.681 30.033 1.00 8.76 C ATOM 875 CD1 TRP A 112 45.839 3.277 31.160 1.00 10.49 C ATOM 876 CD2 TRP A 112 46.420 2.002 29.405 1.00 8.61 C ATOM 877 NE1 TRP A 112 47.183 3.022 31.248 1.00 9.64 N ATOM 878 CE2 TRP A 112 47.565 2.246 30.187 1.00 8.60 C ATOM 879 CE3 TRP A 112 46.539 1.217 28.248 1.00 8.63 C ATOM 880 CZ2 TRP A 112 48.813 1.738 29.854 1.00 8.93 C ATOM 881 CZ3 TRP A 112 47.771 0.711 27.916 1.00 8.87 C ATOM 882 CH2 TRP A 112 48.897 0.968 28.708 1.00 10.72 C ATOM 883 N ARG A 113 44.560 3.312 26.504 1.00 9.87 N ATOM 884 CA ARG A 113 45.465 3.227 25.364 1.00 12.60 C ATOM 885 C ARG A 113 45.607 4.612 24.700 1.00 12.76 C ATOM 886 O ARG A 113 46.687 5.009 24.282 1.00 12.36 O ATOM 887 CB ARG A 113 44.899 2.234 24.348 1.00 14.40 C ATOM 888 CG ARG A 113 44.453 0.874 24.915 1.00 19.91 C ATOM 889 CD ARG A 113 43.835 -0.015 23.815 1.00 21.46 C ATOM 890 NE ARG A 113 44.708 -0.052 22.637 1.00 25.81 N ATOM 891 CZ ARG A 113 44.411 -0.642 21.475 1.00 27.34 C ATOM 892 NH1 ARG A 113 43.251 -1.275 21.320 1.00 25.35 N ATOM 893 NH2 ARG A 113 45.251 -0.540 20.445 1.00 26.49 N ATOM 894 N ASN A 114 44.492 5.333 24.649 1.00 14.39 N ATOM 895 CA ASN A 114 44.396 6.644 24.050 1.00 16.49 C ATOM 896 C ASN A 114 44.941 7.824 24.854 1.00 15.53 C ATOM 897 O ASN A 114 45.612 8.669 24.288 1.00 18.28 O ATOM 898 CB ASN A 114 42.943 6.924 23.637 1.00 18.57 C ATOM 899 CG ASN A 114 42.508 6.135 22.368 1.00 23.11 C ATOM 900 OD1 ASN A 114 43.286 5.349 21.787 1.00 24.64 O ATOM 901 ND2 ASN A 114 41.268 6.351 21.940 1.00 23.86 N ATOM 902 N ARG A 115 44.691 7.885 26.155 1.00 14.30 N ATOM 903 CA ARG A 115 45.152 9.025 26.979 1.00 13.18 C ATOM 904 C ARG A 115 46.264 8.807 28.005 1.00 10.98 C ATOM 905 O ARG A 115 46.780 9.763 28.557 1.00 10.84 O ATOM 906 CB ARG A 115 43.970 9.595 27.776 1.00 14.69 C ATOM 907 CG ARG A 115 42.733 9.932 26.967 1.00 19.29 C ATOM 908 CD ARG A 115 43.048 10.955 25.892 1.00 20.27 C ATOM 909 NE ARG A 115 42.019 11.987 25.799 1.00 24.74 N ATOM 910 CZ ARG A 115 41.905 12.800 24.763 1.00 22.61 C ATOM 911 NH1 ARG A 115 42.745 12.663 23.755 1.00 22.28 N ATOM 912 NH2 ARG A 115 41.016 13.785 24.769 1.00 24.60 N ATOM 913 N CYS A 116 46.665 7.573 28.242 1.00 9.47 N ATOM 914 CA CYS A 116 47.635 7.319 29.295 1.00 9.74 C ATOM 915 C CYS A 116 48.860 6.538 28.896 1.00 9.46 C ATOM 916 O CYS A 116 49.927 6.712 29.473 1.00 8.68 O ATOM 917 CB CYS A 116 46.936 6.554 30.427 1.00 6.37 C ATOM 918 SG CYS A 116 45.305 7.143 30.885 1.00 7.72 S ATOM 919 N GLN A 117 48.663 5.550 28.033 1.00 11.57 N ATOM 920 CA GLN A 117 49.772 4.727 27.575 1.00 13.25 C ATOM 921 C GLN A 117 50.899 5.573 26.949 1.00 13.49 C ATOM 922 O GLN A 117 50.659 6.417 26.093 1.00 11.20 O ATOM 923 CB GLN A 117 49.253 3.721 26.546 1.00 15.47 C ATOM 924 CG GLN A 117 50.344 2.919 25.847 1.00 18.32 C ATOM 925 CD GLN A 117 49.769 1.939 24.847 1.00 19.64 C ATOM 926 OE1 GLN A 117 50.165 0.779 24.805 1.00 19.40 O ATOM 927 NE2 GLN A 117 48.812 2.397 24.055 1.00 21.60 N ATOM 928 N ASN A 118 52.122 5.346 27.394 1.00 16.63 N ATOM 929 CA ASN A 118 53.286 6.077 26.871 1.00 20.47 C ATOM 930 C ASN A 118 53.122 7.587 27.110 1.00 20.53 C ATOM 931 O ASN A 118 53.194 8.388 26.164 1.00 21.17 O ATOM 932 CB ASN A 118 53.480 5.820 25.348 1.00 21.80 C ATOM 933 CG ASN A 118 53.583 4.330 24.982 1.00 23.14 C ATOM 934 OD1 ASN A 118 52.862 3.849 24.107 1.00 23.10 O ATOM 935 ND2 ASN A 118 54.515 3.613 25.614 1.00 23.04 N ATOM 936 N ARG A 119 52.829 7.967 28.349 1.00 19.47 N ATOM 937 CA ARG A 119 52.667 9.367 28.696 1.00 20.17 C ATOM 938 C ARG A 119 52.802 9.586 30.172 1.00 21.87 C ATOM 939 O ARG A 119 52.911 8.628 30.947 1.00 21.89 O ATOM 940 CB ARG A 119 51.328 9.904 28.228 1.00 22.11 C ATOM 941 CG ARG A 119 51.361 10.455 26.823 1.00 25.58 C ATOM 942 CD ARG A 119 49.958 10.680 26.311 1.00 27.97 C ATOM 943 NE ARG A 119 49.239 9.422 26.136 1.00 30.22 N ATOM 944 CZ ARG A 119 48.903 8.922 24.950 1.00 31.27 C ATOM 945 NH1 ARG A 119 49.216 9.581 23.833 1.00 30.92 N ATOM 946 NH2 ARG A 119 48.282 7.748 24.881 1.00 31.51 N ATOM 947 N ASP A 120 52.761 10.862 30.556 1.00 24.08 N ATOM 948 CA ASP A 120 52.912 11.312 31.950 1.00 24.76 C ATOM 949 C ASP A 120 51.772 11.081 32.917 1.00 22.79 C ATOM 950 O ASP A 120 50.987 11.982 33.228 1.00 21.41 O ATOM 951 CB ASP A 120 53.277 12.800 32.006 1.00 27.36 C ATOM 952 CG ASP A 120 54.729 13.057 31.776 1.00 28.41 C ATOM 953 OD1 ASP A 120 55.393 12.247 31.100 1.00 32.08 O ATOM 954 OD2 ASP A 120 55.204 14.102 32.269 1.00 32.03 O ATOM 955 N VAL A 121 51.755 9.899 33.494 1.00 21.59 N ATOM 956 CA VAL A 121 50.719 9.611 34.450 1.00 20.48 C ATOM 957 C VAL A 121 51.146 10.142 35.804 1.00 20.30 C ATOM 958 O VAL A 121 50.292 10.370 36.647 1.00 16.39 O ATOM 959 CB VAL A 121 50.382 8.092 34.488 1.00 20.31 C ATOM 960 CG1 VAL A 121 50.060 7.627 33.091 1.00 21.89 C ATOM 961 CG2 VAL A 121 51.536 7.275 34.999 1.00 20.28 C ATOM 962 N ARG A 122 52.453 10.419 35.971 1.00 22.75 N ATOM 963 CA ARG A 122 53.006 10.908 37.250 1.00 24.61 C ATOM 964 C ARG A 122 52.292 12.084 37.933 1.00 23.82 C ATOM 965 O ARG A 122 52.194 12.125 39.166 1.00 23.06 O ATOM 966 CB ARG A 122 54.494 11.234 37.145 1.00 27.83 C ATOM 967 CG ARG A 122 55.052 11.786 38.471 1.00 32.05 C ATOM 968 CD ARG A 122 56.539 12.186 38.418 1.00 36.33 C ATOM 969 NE ARG A 122 57.409 11.312 39.216 1.00 37.86 N ATOM 970 CZ ARG A 122 57.243 11.059 40.512 1.00 38.88 C ATOM 971 NH1 ARG A 122 56.233 11.609 41.184 1.00 40.16 N ATOM 972 NH2 ARG A 122 58.111 10.280 41.147 1.00 38.32 N ATOM 973 N GLN A 123 51.811 13.034 37.128 1.00 23.14 N ATOM 974 CA GLN A 123 51.100 14.238 37.614 1.00 22.02 C ATOM 975 C GLN A 123 49.795 13.993 38.386 1.00 19.60 C ATOM 976 O GLN A 123 49.369 14.851 39.153 1.00 17.55 O ATOM 977 CB GLN A 123 50.801 15.169 36.434 1.00 23.54 C ATOM 978 CG GLN A 123 50.059 14.482 35.295 1.00 25.79 C ATOM 979 CD GLN A 123 49.972 15.334 34.056 1.00 27.56 C ATOM 980 OE1 GLN A 123 49.154 16.262 33.974 1.00 28.85 O ATOM 981 NE2 GLN A 123 50.807 15.024 33.072 1.00 26.30 N ATOM 982 N TYR A 124 49.154 12.840 38.126 1.00 18.31 N ATOM 983 CA TYR A 124 47.898 12.448 38.765 1.00 15.05 C ATOM 984 C TYR A 124 48.057 12.024 40.202 1.00 13.04 C ATOM 985 O TYR A 124 47.122 12.111 40.962 1.00 12.99 O ATOM 986 CB TYR A 124 47.231 11.335 37.972 1.00 16.19 C ATOM 987 CG TYR A 124 47.070 11.697 36.520 1.00 19.22 C ATOM 988 CD1 TYR A 124 46.313 12.803 36.150 1.00 20.67 C ATOM 989 CD2 TYR A 124 47.654 10.926 35.510 1.00 17.00 C ATOM 990 CE1 TYR A 124 46.131 13.124 34.824 1.00 21.01 C ATOM 991 CE2 TYR A 124 47.473 11.248 34.180 1.00 19.15 C ATOM 992 CZ TYR A 124 46.701 12.350 33.845 1.00 19.89 C ATOM 993 OH TYR A 124 46.461 12.671 32.531 1.00 21.85 O ATOM 994 N VAL A 125 49.211 11.488 40.573 1.00 13.59 N ATOM 995 CA VAL A 125 49.407 11.106 41.977 1.00 16.10 C ATOM 996 C VAL A 125 50.245 12.192 42.670 1.00 18.38 C ATOM 997 O VAL A 125 50.597 12.086 43.853 1.00 19.17 O ATOM 998 CB VAL A 125 50.089 9.705 42.137 1.00 14.41 C ATOM 999 CG1 VAL A 125 49.140 8.580 41.683 1.00 14.20 C ATOM 1000 CG2 VAL A 125 51.451 9.647 41.373 1.00 17.96 C ATOM 1001 N GLN A 126 50.510 13.265 41.935 1.00 20.68 N ATOM 1002 CA GLN A 126 51.319 14.355 42.440 1.00 22.20 C ATOM 1003 C GLN A 126 50.844 14.989 43.744 1.00 21.01 C ATOM 1004 O GLN A 126 49.656 15.274 43.937 1.00 21.86 O ATOM 1005 CB GLN A 126 51.487 15.431 41.370 1.00 23.57 C ATOM 1006 CG GLN A 126 52.780 15.348 40.635 1.00 25.70 C ATOM 1007 CD GLN A 126 53.956 15.350 41.578 1.00 29.08 C ATOM 1008 OE1 GLN A 126 54.833 14.477 41.504 1.00 29.37 O ATOM 1009 NE2 GLN A 126 53.979 16.325 42.502 1.00 30.27 N ATOM 1010 N GLY A 127 51.802 15.153 44.650 1.00 20.21 N ATOM 1011 CA GLY A 127 51.538 15.777 45.922 1.00 17.99 C ATOM 1012 C GLY A 127 50.582 15.053 46.824 1.00 18.10 C ATOM 1013 O GLY A 127 50.255 15.583 47.880 1.00 19.12 O ATOM 1014 N CYS A 128 50.155 13.854 46.451 1.00 15.73 N ATOM 1015 CA CYS A 128 49.211 13.088 47.264 1.00 15.58 C ATOM 1016 C CYS A 128 49.839 12.384 48.464 1.00 17.53 C ATOM 1017 O CYS A 128 49.146 11.999 49.408 1.00 17.20 O ATOM 1018 CB CYS A 128 48.481 12.048 46.395 1.00 13.39 C ATOM 1019 SG CYS A 128 47.526 12.797 45.047 1.00 15.37 S ATOM 1020 N GLY A 129 51.145 12.161 48.395 1.00 19.52 N ATOM 1021 CA GLY A 129 51.818 11.458 49.462 1.00 22.35 C ATOM 1022 C GLY A 129 51.341 10.019 49.486 1.00 24.22 C ATOM 1023 O GLY A 129 51.194 9.438 50.549 1.00 25.60 O ATOM 1024 N VAL A 130 51.061 9.443 48.325 1.00 26.51 N ATOM 1025 CA VAL A 130 50.593 8.053 48.274 1.00 29.58 C ATOM 1026 C VAL A 130 51.696 7.026 47.939 1.00 32.07 C ATOM 1027 O VAL A 130 51.374 5.812 47.971 1.00 33.84 O ATOM 1028 CB VAL A 130 49.391 7.867 47.291 1.00 29.32 C ATOM 1029 CG1 VAL A 130 48.196 8.734 47.725 1.00 29.42 C ATOM 1030 CG2 VAL A 130 49.810 8.200 45.864 1.00 31.70 C ATOM 1031 OXT VAL A 130 52.865 7.430 47.681 1.00 31.75 O TER 1032 VAL A 130 HETATM 1033 O HOH A 131 33.005 1.726 37.792 1.00 8.99 O HETATM 1034 O HOH A 132 26.609 -8.796 31.926 1.00 8.68 O HETATM 1035 O HOH A 133 40.197 16.994 42.171 1.00 14.19 O HETATM 1036 O HOH A 134 52.112 5.200 40.561 1.00 15.11 O HETATM 1037 O HOH A 135 31.528 0.018 44.276 1.00 11.06 O HETATM 1038 O HOH A 136 38.932 13.655 31.287 1.00 15.42 O HETATM 1039 O HOH A 137 31.715 4.060 40.483 1.00 14.97 O HETATM 1040 O HOH A 138 28.557 12.044 41.697 1.00 25.91 O HETATM 1041 O HOH A 139 23.371 -5.929 31.630 1.00 22.39 O HETATM 1042 O HOH A 140 30.956 2.866 42.741 1.00 11.03 O HETATM 1043 O HOH A 141 36.331 2.643 26.988 1.00 13.48 O HETATM 1044 O HOH A 142 52.141 0.635 35.513 1.00 16.75 O HETATM 1045 O HOH A 143 39.210 -6.107 45.639 1.00 12.94 O HETATM 1046 O HOH A 144 40.615 -4.807 48.716 1.00 21.65 O HETATM 1047 O HOH A 145 40.476 3.838 57.941 1.00 26.16 O HETATM 1048 O HOH A 146 55.135 5.511 35.081 1.00 34.37 O HETATM 1049 O HOH A 147 27.016 13.608 38.107 1.00 29.85 O HETATM 1050 O HOH A 148 26.849 9.102 27.082 1.00 36.12 O HETATM 1051 O HOH A 149 24.756 -9.759 40.718 1.00 26.71 O HETATM 1052 O HOH A 150 35.193 12.975 51.544 1.00 24.90 O HETATM 1053 O HOH A 151 37.980 15.875 41.317 1.00 16.38 O HETATM 1054 O HOH A 152 30.831 11.461 34.057 1.00 35.81 O HETATM 1055 O HOH A 153 23.616 -1.214 27.672 1.00 19.38 O HETATM 1056 O HOH A 154 26.641 -10.217 24.499 1.00 31.95 O HETATM 1057 O HOH A 155 36.529 0.539 51.244 1.00 18.85 O HETATM 1058 O HOH A 156 47.937 -5.012 31.341 1.00 13.82 O HETATM 1059 O HOH A 157 47.961 11.579 30.522 1.00 21.40 O HETATM 1060 O HOH A 158 52.088 10.980 45.806 1.00 19.61 O HETATM 1061 O HOH A 159 32.294 7.322 45.658 1.00 38.43 O HETATM 1062 O HOH A 160 29.566 0.447 26.885 1.00 30.89 O HETATM 1063 O HOH A 161 38.276 4.794 35.379 1.00 36.33 O HETATM 1064 O HOH A 162 32.966 5.241 28.150 1.00 14.84 O HETATM 1065 O HOH A 163 33.295 -4.602 24.537 1.00 24.50 O HETATM 1066 O HOH A 164 37.042 -3.825 26.439 1.00 20.42 O HETATM 1067 O HOH A 165 36.324 -5.295 29.045 1.00 29.74 O HETATM 1068 O HOH A 166 34.565 -1.672 22.735 1.00 23.02 O HETATM 1069 O HOH A 167 21.508 -8.298 39.192 1.00 15.41 O HETATM 1070 O HOH A 168 20.556 -5.900 37.937 1.00 14.48 O HETATM 1071 O HOH A 169 20.697 -2.018 38.030 1.00 9.56 O HETATM 1072 O HOH A 170 23.231 4.392 27.771 1.00 33.80 O HETATM 1073 O HOH A 171 36.754 -1.991 30.360 1.00 24.41 O HETATM 1074 O HOH A 172 24.462 -3.865 46.340 1.00 25.79 O HETATM 1075 O HOH A 173 47.770 -8.157 27.054 1.00 31.00 O HETATM 1076 O HOH A 174 33.787 -14.434 36.188 1.00 19.76 O HETATM 1077 O HOH A 175 23.871 -12.461 39.189 1.00 36.52 O HETATM 1078 O HOH A 176 25.900 -15.672 33.439 1.00 38.39 O HETATM 1079 O HOH A 177 10.044 -9.272 33.901 1.00 31.31 O HETATM 1080 O HOH A 178 21.309 -16.479 31.105 1.00 27.65 O HETATM 1081 O HOH A 179 13.308 -6.715 29.066 1.00 36.88 O HETATM 1082 O HOH A 180 30.220 14.671 45.335 1.00 17.02 O HETATM 1083 O HOH A 181 45.905 5.348 51.421 1.00 25.56 O HETATM 1084 O HOH A 182 57.340 9.491 48.827 1.00 38.62 O HETATM 1085 O HOH A 183 50.576 6.268 51.439 1.00 24.40 O HETATM 1086 O HOH A 184 41.249 -0.948 51.327 1.00 17.15 O HETATM 1087 O HOH A 185 42.492 -3.408 39.550 1.00 51.87 O HETATM 1088 O HOH A 186 53.126 -1.279 39.323 1.00 25.89 O HETATM 1089 O HOH A 187 53.499 -7.139 41.331 1.00 47.10 O HETATM 1090 O HOH A 188 54.882 -1.302 35.354 1.00 32.14 O HETATM 1091 O HOH A 189 45.640 -5.076 33.194 1.00 35.56 O HETATM 1092 O HOH A 190 32.306 13.465 35.225 1.00 14.37 O HETATM 1093 O HOH A 191 26.589 10.769 33.041 1.00 31.28 O HETATM 1094 O HOH A 192 22.103 2.347 26.131 1.00 27.64 O HETATM 1095 O HOH A 193 21.632 0.723 28.744 1.00 31.82 O HETATM 1096 O HOH A 194 30.574 12.438 30.894 1.00 28.58 O HETATM 1097 O HOH A 195 19.353 -2.840 29.995 1.00 32.19 O HETATM 1098 O HOH A 196 23.514 -7.196 28.531 1.00 32.32 O HETATM 1099 O HOH A 197 14.818 -1.910 33.206 1.00 26.10 O HETATM 1100 O HOH A 198 22.596 -1.178 30.056 1.00 18.84 O HETATM 1101 O HOH A 199 43.514 16.316 45.415 1.00 12.21 O HETATM 1102 O HOH A 200 42.263 15.735 47.514 1.00 34.54 O HETATM 1103 O HOH A 201 48.163 -6.801 47.052 1.00 27.65 O HETATM 1104 O HOH A 202 17.623 -6.118 28.781 1.00 24.66 O HETATM 1105 O HOH A 203 21.703 -6.302 26.994 1.00 33.52 O HETATM 1106 O HOH A 204 34.311 -2.598 30.743 1.00 36.85 O HETATM 1107 O HOH A 205 34.297 -5.148 27.053 1.00 40.99 O HETATM 1108 O HOH A 206 20.193 -10.483 37.940 1.00 38.97 O HETATM 1109 O HOH A 207 29.754 -15.762 33.667 1.00 33.18 O HETATM 1110 O HOH A 208 31.984 -14.599 32.934 1.00 21.99 O HETATM 1111 O HOH A 209 24.846 -14.987 44.492 1.00 32.20 O HETATM 1112 O HOH A 210 24.730 -8.757 43.514 1.00 36.12 O HETATM 1113 O HOH A 211 27.822 -7.211 47.082 1.00 26.55 O HETATM 1114 O HOH A 212 24.070 0.389 44.934 1.00 38.85 O HETATM 1115 O HOH A 213 23.781 2.389 43.353 1.00 23.58 O HETATM 1116 O HOH A 214 28.052 2.970 48.954 1.00 24.24 O HETATM 1117 O HOH A 215 28.405 10.424 51.618 1.00 32.63 O HETATM 1118 O HOH A 216 52.114 3.036 28.877 1.00 17.31 O HETATM 1119 O HOH A 217 39.482 11.035 22.765 1.00 26.95 O HETATM 1120 O HOH A 218 37.707 0.699 19.821 1.00 33.85 O HETATM 1121 O HOH A 219 34.787 -2.039 20.171 1.00 24.11 O HETATM 1122 O HOH A 220 35.081 1.299 23.811 1.00 30.07 O HETATM 1123 O HOH A 221 42.138 14.947 49.981 1.00 27.62 O HETATM 1124 O HOH A 222 39.618 13.186 50.552 1.00 29.20 O HETATM 1125 O HOH A 223 48.611 -3.364 45.801 1.00 36.10 O HETATM 1126 O HOH A 224 55.965 -0.640 41.819 1.00 33.66 O HETATM 1127 O HOH A 225 54.830 4.027 47.940 1.00 24.32 O HETATM 1128 O HOH A 226 33.857 -2.808 37.672 1.00 28.57 O HETATM 1129 O HOH A 227 21.807 -4.067 29.932 1.00 34.15 O HETATM 1130 O HOH A 228 29.701 6.580 51.886 1.00 34.68 O HETATM 1131 O HOH A 229 32.051 1.834 53.967 1.00 25.91 O HETATM 1132 O HOH A 230 36.344 -5.993 47.681 1.00 25.59 O HETATM 1133 O HOH A 231 31.310 -1.211 47.305 1.00 16.03 O HETATM 1134 O HOH A 232 34.587 -8.323 51.217 1.00 34.06 O HETATM 1135 O HOH A 233 38.806 -0.081 35.909 1.00 46.97 O HETATM 1136 O HOH A 234 37.815 -13.429 31.716 1.00 30.61 O HETATM 1137 O HOH A 235 55.397 11.421 27.602 1.00 23.52 O HETATM 1138 O HOH A 236 23.270 -14.525 30.073 1.00 36.60 O CONECT 53 1019 CONECT 243 918 CONECT 534 644 CONECT 614 740 CONECT 644 534 CONECT 740 614 CONECT 918 243 CONECT 1019 53 MASTER 216 0 0 8 2 0 0 6 1137 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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