HEADER HYDROLASE 03-JUL-97 1JPO TITLE LOW TEMPERATURE ORTHORHOMBIC LYSOZYME COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME; COMPND 3 CHAIN: A; COMPND 4 EC: 3.2.1.17 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 3 ORGANISM_COMMON: CHICKEN; SOURCE 4 ORGANISM_TAXID: 9031; SOURCE 5 CELL: EGG; SOURCE 6 CELLULAR_LOCATION: CYTOPLASM (WHITE) KEYWDS HYDROLASE, GLYCOSIDASE EXPDTA X-RAY DIFFRACTION AUTHOR G.M.BRADBROOK,J.R.HELLIWELL,J.HABASH REVDAT 2 24-FEB-09 1JPO 1 VERSN REVDAT 1 12-NOV-97 1JPO 0 JRNL AUTH S.BRADBROOK,A.DEACON,J.HABASH,J.R.HELLIWELL, JRNL AUTH 2 M.HELLIWELL,Y.P.NIEH,E.H.SNELL,G.TRAPANI, JRNL AUTH 3 A.W.THOMPSON,J.W.CAMPBELL,N.M.ALLINSON,K.MOON, JRNL AUTH 4 T.URSBY,M.WULFF JRNL TITL TIME-RESOLVED BIOLOGICAL AND PERTURBATION CHEMICAL JRNL TITL 2 CRYSTALLOGRAPHY: LAUE AND MONOCHROMATIC JRNL TITL 3 DEVELOPMENTS JRNL EDIT P.M.RENTZEPIS JRNL REF TIME-RESOLVED ELECTRON AND 160 1995 JRNL REF 2 X-RAY DIFFRACTION; 13-14 JRNL REF 3 JULY 1995, SAN DIEGO, JRNL REF 4 CALIFORNIA (IN: JRNL REF 5 PROC.SPIE-INT.SOC.OPT.ENG., JRNL REF 6 V.2521) JRNL PUBL BELLINGHAM, WA : SPIE JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.10 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 6424 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) : 0.189 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 : 1264 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 65 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED 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) : 0.007 REMARK 3 BOND ANGLES (DEGREES) : 1.50 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1JPO COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSLS REMARK 200 BEAMLINE : X12C REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : L REMARK 200 WAVELENGTH OR RANGE (A) : 0.7 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE AREA DETECTOR REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DARESBURY LAUE SOFTWARE SUITE REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 6424 REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 87.3 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : 0.12100 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 45.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.17 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL 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 29.70000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 15.28500 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 34.28500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 15.28500 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 29.70000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 34.28500 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 GLN A 57 55.21 39.75 REMARK 500 PRO A 70 -86.02 -20.31 REMARK 500 ASN A 103 51.14 -92.41 REMARK 500 REMARK 500 REMARK: NULL DBREF 1JPO A 1 129 UNP P00698 LYSC_CHICK 19 147 SEQRES 1 A 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS SEQRES 2 A 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY SEQRES 3 A 129 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN SEQRES 4 A 129 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP SEQRES 5 A 129 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN SEQRES 6 A 129 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE SEQRES 7 A 129 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER SEQRES 8 A 129 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY SEQRES 9 A 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY SEQRES 10 A 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU FORMUL 2 HOH *65(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 80 LEU A 84 5 5 HELIX 5 5 THR A 89 VAL A 99 1 11 HELIX 6 6 GLY A 104 ALA A 107 5 4 HELIX 7 7 VAL A 109 ARG A 114 1 6 HELIX 8 8 VAL A 120 TRP A 123 5 4 SHEET 1 A 2 THR A 43 ARG A 45 0 SHEET 2 A 2 THR A 51 TYR A 53 -1 N ASP A 52 O ASN A 44 SSBOND 1 CYS A 6 CYS A 127 1555 1555 2.02 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.04 SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.04 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.04 CRYST1 59.400 68.570 30.570 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 0.016835 0.000000 0.000000 0.00000 SCALE2 0.000000 0.014584 0.000000 0.00000 SCALE3 0.000000 0.000000 0.032712 0.00000 ATOM 1 N LYS A 1 35.467 22.479 -11.873 1.00 12.60 N ATOM 2 CA LYS A 1 35.888 21.056 -11.743 1.00 13.14 C ATOM 3 C LYS A 1 34.912 20.249 -10.906 1.00 15.41 C ATOM 4 O LYS A 1 34.152 20.809 -10.115 1.00 14.29 O ATOM 5 CB LYS A 1 37.282 20.949 -11.127 1.00 15.59 C ATOM 6 CG LYS A 1 37.369 21.413 -9.687 1.00 12.97 C ATOM 7 CD LYS A 1 38.742 21.130 -9.096 1.00 10.47 C ATOM 8 CE LYS A 1 38.805 19.753 -8.458 1.00 13.42 C ATOM 9 NZ LYS A 1 40.092 19.527 -7.737 1.00 14.23 N ATOM 10 N VAL A 2 34.905 18.939 -11.140 1.00 16.73 N ATOM 11 CA VAL A 2 34.059 18.001 -10.412 1.00 13.37 C ATOM 12 C VAL A 2 34.928 17.294 -9.372 1.00 13.52 C ATOM 13 O VAL A 2 35.870 16.578 -9.718 1.00 13.35 O ATOM 14 CB VAL A 2 33.419 16.959 -11.360 1.00 9.98 C ATOM 15 CG1 VAL A 2 32.516 16.013 -10.580 1.00 6.92 C ATOM 16 CG2 VAL A 2 32.602 17.665 -12.411 1.00 12.70 C ATOM 17 N PHE A 3 34.659 17.558 -8.100 1.00 9.37 N ATOM 18 CA PHE A 3 35.416 16.947 -7.024 1.00 7.62 C ATOM 19 C PHE A 3 34.997 15.519 -6.793 1.00 7.46 C ATOM 20 O PHE A 3 33.867 15.137 -7.081 1.00 7.95 O ATOM 21 CB PHE A 3 35.182 17.687 -5.705 1.00 3.49 C ATOM 22 CG PHE A 3 36.136 18.814 -5.454 1.00 6.39 C ATOM 23 CD1 PHE A 3 35.891 20.085 -5.975 1.00 2.02 C ATOM 24 CD2 PHE A 3 37.236 18.631 -4.620 1.00 8.31 C ATOM 25 CE1 PHE A 3 36.734 21.152 -5.662 1.00 5.54 C ATOM 26 CE2 PHE A 3 38.082 19.691 -4.304 1.00 7.44 C ATOM 27 CZ PHE A 3 37.826 20.953 -4.819 1.00 5.08 C ATOM 28 N GLY A 4 35.923 14.745 -6.241 1.00 10.58 N ATOM 29 CA GLY A 4 35.629 13.379 -5.865 1.00 9.05 C ATOM 30 C GLY A 4 35.205 13.520 -4.412 1.00 8.35 C ATOM 31 O GLY A 4 35.680 14.420 -3.725 1.00 6.42 O ATOM 32 N ARG A 5 34.312 12.658 -3.946 1.00 8.66 N ATOM 33 CA ARG A 5 33.819 12.696 -2.577 1.00 8.40 C ATOM 34 C ARG A 5 34.910 12.831 -1.519 1.00 7.69 C ATOM 35 O ARG A 5 34.860 13.731 -0.690 1.00 5.04 O ATOM 36 CB ARG A 5 32.968 11.452 -2.298 1.00 11.62 C ATOM 37 CG ARG A 5 32.481 11.322 -0.869 1.00 8.68 C ATOM 38 CD ARG A 5 31.646 10.060 -0.700 1.00 12.60 C ATOM 39 NE ARG A 5 32.381 8.854 -1.079 1.00 15.35 N ATOM 40 CZ ARG A 5 32.866 7.961 -0.221 1.00 15.51 C ATOM 41 NH1 ARG A 5 32.701 8.123 1.085 1.00 15.30 N ATOM 42 NH2 ARG A 5 33.529 6.905 -0.671 1.00 13.91 N ATOM 43 N CYS A 6 35.891 11.934 -1.545 1.00 7.72 N ATOM 44 CA CYS A 6 36.978 11.957 -0.572 1.00 10.36 C ATOM 45 C CYS A 6 37.874 13.174 -0.733 1.00 8.80 C ATOM 46 O CYS A 6 38.352 13.746 0.252 1.00 12.06 O ATOM 47 CB CYS A 6 37.776 10.647 -0.614 1.00 7.56 C ATOM 48 SG CYS A 6 36.816 9.229 0.022 1.00 7.76 S ATOM 49 N GLU A 7 38.047 13.600 -1.978 1.00 10.40 N ATOM 50 CA GLU A 7 38.846 14.770 -2.298 1.00 8.55 C ATOM 51 C GLU A 7 38.205 16.008 -1.661 1.00 5.26 C ATOM 52 O GLU A 7 38.888 16.879 -1.133 1.00 8.67 O ATOM 53 CB GLU A 7 38.908 14.936 -3.814 1.00 6.02 C ATOM 54 CG GLU A 7 39.795 16.069 -4.268 1.00 10.44 C ATOM 55 CD GLU A 7 39.800 16.257 -5.776 1.00 15.13 C ATOM 56 OE1 GLU A 7 38.957 15.645 -6.474 1.00 7.54 O ATOM 57 OE2 GLU A 7 40.655 17.030 -6.260 1.00 18.45 O ATOM 58 N LEU A 8 36.884 16.078 -1.712 1.00 5.27 N ATOM 59 CA LEU A 8 36.153 17.204 -1.142 1.00 2.37 C ATOM 60 C LEU A 8 36.178 17.144 0.382 1.00 4.50 C ATOM 61 O LEU A 8 36.277 18.176 1.059 1.00 2.00 O ATOM 62 CB LEU A 8 34.703 17.192 -1.629 1.00 2.00 C ATOM 63 CG LEU A 8 33.880 18.415 -1.218 1.00 2.00 C ATOM 64 CD1 LEU A 8 34.474 19.683 -1.839 1.00 7.81 C ATOM 65 CD2 LEU A 8 32.450 18.238 -1.641 1.00 8.02 C ATOM 66 N ALA A 9 36.082 15.932 0.918 1.00 3.00 N ATOM 67 CA ALA A 9 36.098 15.738 2.361 1.00 9.29 C ATOM 68 C ALA A 9 37.405 16.308 2.917 1.00 8.52 C ATOM 69 O ALA A 9 37.397 17.121 3.841 1.00 7.70 O ATOM 70 CB ALA A 9 35.959 14.262 2.696 1.00 7.59 C ATOM 71 N ALA A 10 38.515 15.959 2.274 1.00 9.21 N ATOM 72 CA ALA A 10 39.823 16.439 2.702 1.00 8.10 C ATOM 73 C ALA A 10 39.920 17.949 2.604 1.00 7.64 C ATOM 74 O ALA A 10 40.399 18.592 3.537 1.00 10.35 O ATOM 75 CB ALA A 10 40.943 15.791 1.886 1.00 2.61 C ATOM 76 N ALA A 11 39.467 18.515 1.488 1.00 6.29 N ATOM 77 CA ALA A 11 39.534 19.961 1.293 1.00 7.10 C ATOM 78 C ALA A 11 38.718 20.719 2.341 1.00 5.63 C ATOM 79 O ALA A 11 39.204 21.682 2.936 1.00 5.60 O ATOM 80 CB ALA A 11 39.090 20.335 -0.126 1.00 2.56 C ATOM 81 N MET A 12 37.490 20.267 2.584 1.00 7.53 N ATOM 82 CA MET A 12 36.609 20.901 3.564 1.00 5.91 C ATOM 83 C MET A 12 37.175 20.787 4.976 1.00 7.27 C ATOM 84 O MET A 12 37.032 21.708 5.781 1.00 7.67 O ATOM 85 CB MET A 12 35.200 20.306 3.500 1.00 2.74 C ATOM 86 CG MET A 12 34.442 20.631 2.216 1.00 7.44 C ATOM 87 SD MET A 12 32.744 20.016 2.207 1.00 5.13 S ATOM 88 CE MET A 12 31.883 21.340 1.355 1.00 5.52 C ATOM 89 N LYS A 13 37.818 19.658 5.265 1.00 7.55 N ATOM 90 CA LYS A 13 38.444 19.417 6.561 1.00 8.17 C ATOM 91 C LYS A 13 39.565 20.441 6.738 1.00 10.44 C ATOM 92 O LYS A 13 39.716 21.052 7.796 1.00 10.98 O ATOM 93 CB LYS A 13 39.038 18.005 6.602 1.00 7.14 C ATOM 94 CG LYS A 13 39.456 17.548 7.988 1.00 8.62 C ATOM 95 CD LYS A 13 39.801 16.072 7.989 1.00 20.89 C ATOM 96 CE LYS A 13 39.808 15.495 9.403 1.00 24.17 C ATOM 97 NZ LYS A 13 41.053 15.806 10.155 1.00 23.31 N ATOM 98 N ARG A 14 40.358 20.615 5.689 1.00 10.09 N ATOM 99 CA ARG A 14 41.465 21.562 5.703 1.00 13.75 C ATOM 100 C ARG A 14 40.945 22.970 5.990 1.00 16.23 C ATOM 101 O ARG A 14 41.623 23.774 6.638 1.00 18.29 O ATOM 102 CB ARG A 14 42.159 21.561 4.345 1.00 13.35 C ATOM 103 CG ARG A 14 43.649 21.748 4.399 1.00 16.63 C ATOM 104 CD ARG A 14 44.157 22.307 3.079 1.00 31.07 C ATOM 105 NE ARG A 14 43.531 21.679 1.914 1.00 32.14 N ATOM 106 CZ ARG A 14 43.500 22.225 0.699 1.00 34.54 C ATOM 107 NH1 ARG A 14 44.065 23.411 0.483 1.00 35.19 N ATOM 108 NH2 ARG A 14 42.917 21.580 -0.304 1.00 28.87 N ATOM 109 N HIS A 15 39.736 23.259 5.512 1.00 16.25 N ATOM 110 CA HIS A 15 39.126 24.575 5.706 1.00 14.86 C ATOM 111 C HIS A 15 38.318 24.761 6.982 1.00 12.22 C ATOM 112 O HIS A 15 37.549 25.713 7.091 1.00 10.71 O ATOM 113 CB HIS A 15 38.297 24.975 4.483 1.00 17.05 C ATOM 114 CG HIS A 15 39.126 25.315 3.287 1.00 13.95 C ATOM 115 ND1 HIS A 15 39.495 24.412 2.319 1.00 20.47 N ATOM 116 CD2 HIS A 15 39.692 26.496 2.921 1.00 10.80 C ATOM 117 CE1 HIS A 15 40.251 25.046 1.417 1.00 16.76 C ATOM 118 NE2 HIS A 15 40.401 26.315 1.742 1.00 17.22 N ATOM 119 N GLY A 16 38.501 23.859 7.941 1.00 11.99 N ATOM 120 CA GLY A 16 37.815 23.954 9.219 1.00 12.05 C ATOM 121 C GLY A 16 36.310 23.751 9.262 1.00 12.62 C ATOM 122 O GLY A 16 35.629 24.304 10.134 1.00 13.35 O ATOM 123 N LEU A 17 35.777 22.930 8.369 1.00 11.61 N ATOM 124 CA LEU A 17 34.339 22.695 8.363 1.00 10.58 C ATOM 125 C LEU A 17 33.883 21.566 9.272 1.00 9.06 C ATOM 126 O LEU A 17 32.705 21.482 9.612 1.00 10.34 O ATOM 127 CB LEU A 17 33.832 22.469 6.940 1.00 10.13 C ATOM 128 CG LEU A 17 33.768 23.719 6.056 1.00 12.91 C ATOM 129 CD1 LEU A 17 33.133 23.366 4.720 1.00 10.19 C ATOM 130 CD2 LEU A 17 32.959 24.802 6.735 1.00 5.87 C ATOM 131 N ASP A 18 34.801 20.700 9.685 1.00 9.53 N ATOM 132 CA ASP A 18 34.430 19.585 10.547 1.00 10.11 C ATOM 133 C ASP A 18 33.933 20.105 11.895 1.00 10.71 C ATOM 134 O ASP A 18 34.684 20.687 12.670 1.00 14.04 O ATOM 135 CB ASP A 18 35.609 18.621 10.714 1.00 11.44 C ATOM 136 CG ASP A 18 35.220 17.319 11.390 1.00 9.36 C ATOM 137 OD1 ASP A 18 34.029 16.950 11.375 1.00 10.52 O ATOM 138 OD2 ASP A 18 36.124 16.655 11.931 1.00 17.13 O ATOM 139 N ASN A 19 32.651 19.869 12.153 1.00 12.44 N ATOM 140 CA ASN A 19 31.960 20.304 13.369 1.00 12.43 C ATOM 141 C ASN A 19 31.878 21.815 13.586 1.00 12.09 C ATOM 142 O ASN A 19 31.606 22.298 14.698 1.00 10.23 O ATOM 143 CB ASN A 19 32.455 19.575 14.615 1.00 17.12 C ATOM 144 CG ASN A 19 31.760 18.232 14.809 1.00 21.60 C ATOM 145 OD1 ASN A 19 30.541 18.164 15.013 1.00 25.28 O ATOM 146 ND2 ASN A 19 32.523 17.159 14.710 1.00 20.41 N ATOM 147 N TYR A 20 32.040 22.549 12.492 1.00 8.23 N ATOM 148 CA TYR A 20 31.936 23.996 12.525 1.00 10.76 C ATOM 149 C TYR A 20 30.475 24.261 12.870 1.00 9.49 C ATOM 150 O TYR A 20 29.569 23.703 12.244 1.00 5.96 O ATOM 151 CB TYR A 20 32.267 24.593 11.154 1.00 9.47 C ATOM 152 CG TYR A 20 32.324 26.101 11.166 1.00 13.55 C ATOM 153 CD1 TYR A 20 33.419 26.762 11.705 1.00 8.44 C ATOM 154 CD2 TYR A 20 31.249 26.867 10.711 1.00 11.21 C ATOM 155 CE1 TYR A 20 33.451 28.134 11.798 1.00 8.35 C ATOM 156 CE2 TYR A 20 31.274 28.247 10.801 1.00 14.74 C ATOM 157 CZ TYR A 20 32.375 28.871 11.352 1.00 9.16 C ATOM 158 OH TYR A 20 32.402 30.233 11.462 1.00 14.36 O ATOM 159 N ARG A 21 30.254 25.049 13.915 1.00 11.59 N ATOM 160 CA ARG A 21 28.905 25.392 14.375 1.00 11.63 C ATOM 161 C ARG A 21 28.045 24.180 14.755 1.00 11.54 C ATOM 162 O ARG A 21 26.816 24.265 14.801 1.00 12.46 O ATOM 163 CB ARG A 21 28.183 26.283 13.368 1.00 10.05 C ATOM 164 CG ARG A 21 28.522 27.743 13.537 1.00 14.90 C ATOM 165 CD ARG A 21 28.371 28.135 15.005 1.00 14.46 C ATOM 166 NE ARG A 21 28.326 29.572 15.202 1.00 19.18 N ATOM 167 CZ ARG A 21 27.215 30.299 15.131 1.00 28.55 C ATOM 168 NH1 ARG A 21 26.046 29.715 14.865 1.00 25.51 N ATOM 169 NH2 ARG A 21 27.267 31.610 15.339 1.00 29.01 N ATOM 170 N GLY A 22 28.715 23.074 15.078 1.00 13.65 N ATOM 171 CA GLY A 22 28.027 21.860 15.476 1.00 9.34 C ATOM 172 C GLY A 22 27.656 20.918 14.348 1.00 14.22 C ATOM 173 O GLY A 22 26.841 20.005 14.548 1.00 15.65 O ATOM 174 N TYR A 23 28.250 21.105 13.170 1.00 10.39 N ATOM 175 CA TYR A 23 27.946 20.243 12.030 1.00 12.29 C ATOM 176 C TYR A 23 29.170 19.471 11.548 1.00 12.87 C ATOM 177 O TYR A 23 30.137 20.070 11.079 1.00 11.75 O ATOM 178 CB TYR A 23 27.358 21.069 10.895 1.00 9.62 C ATOM 179 CG TYR A 23 26.033 21.703 11.241 1.00 10.61 C ATOM 180 CD1 TYR A 23 24.867 20.950 11.242 1.00 8.56 C ATOM 181 CD2 TYR A 23 25.944 23.060 11.570 1.00 10.97 C ATOM 182 CE1 TYR A 23 23.643 21.521 11.558 1.00 9.25 C ATOM 183 CE2 TYR A 23 24.716 23.642 11.893 1.00 8.41 C ATOM 184 CZ TYR A 23 23.576 22.863 11.879 1.00 6.34 C ATOM 185 OH TYR A 23 22.351 23.411 12.147 1.00 14.22 O ATOM 186 N SER A 24 29.146 18.148 11.705 1.00 10.81 N ATOM 187 CA SER A 24 30.267 17.311 11.289 1.00 10.91 C ATOM 188 C SER A 24 30.493 17.325 9.780 1.00 7.88 C ATOM 189 O SER A 24 29.550 17.510 9.003 1.00 9.89 O ATOM 190 CB SER A 24 30.082 15.885 11.798 1.00 10.60 C ATOM 191 OG SER A 24 28.956 15.271 11.201 1.00 21.65 O ATOM 192 N LEU A 25 31.736 17.067 9.381 1.00 4.19 N ATOM 193 CA LEU A 25 32.158 17.062 7.980 1.00 2.54 C ATOM 194 C LEU A 25 31.183 16.378 7.024 1.00 4.26 C ATOM 195 O LEU A 25 30.959 16.851 5.908 1.00 4.04 O ATOM 196 CB LEU A 25 33.541 16.409 7.878 1.00 2.00 C ATOM 197 CG LEU A 25 34.372 16.502 6.601 1.00 6.82 C ATOM 198 CD1 LEU A 25 34.596 17.945 6.254 1.00 7.74 C ATOM 199 CD2 LEU A 25 35.716 15.792 6.794 1.00 4.70 C ATOM 200 N GLY A 26 30.594 15.274 7.478 1.00 6.08 N ATOM 201 CA GLY A 26 29.656 14.526 6.660 1.00 6.24 C ATOM 202 C GLY A 26 28.486 15.364 6.183 1.00 7.55 C ATOM 203 O GLY A 26 27.990 15.172 5.058 1.00 9.20 O ATOM 204 N ASN A 27 28.038 16.291 7.028 1.00 4.89 N ATOM 205 CA ASN A 27 26.925 17.168 6.679 1.00 4.93 C ATOM 206 C ASN A 27 27.284 18.019 5.476 1.00 3.29 C ATOM 207 O ASN A 27 26.507 18.149 4.540 1.00 3.37 O ATOM 208 CB ASN A 27 26.555 18.064 7.857 1.00 5.79 C ATOM 209 CG ASN A 27 25.841 17.316 8.950 1.00 8.21 C ATOM 210 OD1 ASN A 27 24.677 16.929 8.800 1.00 9.21 O ATOM 211 ND2 ASN A 27 26.520 17.121 10.075 1.00 9.25 N ATOM 212 N TRP A 28 28.491 18.573 5.508 1.00 7.64 N ATOM 213 CA TRP A 28 29.014 19.435 4.452 1.00 3.02 C ATOM 214 C TRP A 28 29.194 18.724 3.113 1.00 7.08 C ATOM 215 O TRP A 28 28.839 19.267 2.066 1.00 2.00 O ATOM 216 CB TRP A 28 30.336 20.052 4.913 1.00 5.27 C ATOM 217 CG TRP A 28 30.164 20.885 6.149 1.00 5.79 C ATOM 218 CD1 TRP A 28 30.458 20.512 7.432 1.00 2.11 C ATOM 219 CD2 TRP A 28 29.625 22.213 6.221 1.00 5.89 C ATOM 220 NE1 TRP A 28 30.133 21.527 8.303 1.00 3.12 N ATOM 221 CE2 TRP A 28 29.623 22.586 7.590 1.00 2.63 C ATOM 222 CE3 TRP A 28 29.151 23.130 5.260 1.00 5.37 C ATOM 223 CZ2 TRP A 28 29.161 23.824 8.025 1.00 9.71 C ATOM 224 CZ3 TRP A 28 28.688 24.368 5.698 1.00 7.63 C ATOM 225 CH2 TRP A 28 28.697 24.708 7.074 1.00 7.61 C ATOM 226 N VAL A 29 29.749 17.515 3.150 1.00 6.84 N ATOM 227 CA VAL A 29 29.959 16.745 1.936 1.00 2.24 C ATOM 228 C VAL A 29 28.615 16.304 1.371 1.00 4.92 C ATOM 229 O VAL A 29 28.392 16.359 0.156 1.00 3.50 O ATOM 230 CB VAL A 29 30.885 15.548 2.192 1.00 5.89 C ATOM 231 CG1 VAL A 29 31.034 14.706 0.922 1.00 3.37 C ATOM 232 CG2 VAL A 29 32.252 16.059 2.656 1.00 2.00 C ATOM 233 N CYS A 30 27.681 15.981 2.259 1.00 4.29 N ATOM 234 CA CYS A 30 26.350 15.553 1.835 1.00 7.28 C ATOM 235 C CYS A 30 25.642 16.728 1.174 1.00 7.01 C ATOM 236 O CYS A 30 25.057 16.584 0.100 1.00 11.03 O ATOM 237 CB CYS A 30 25.525 15.053 3.030 1.00 6.44 C ATOM 238 SG CYS A 30 23.884 14.387 2.598 1.00 13.66 S ATOM 239 N ALA A 31 25.739 17.903 1.789 1.00 5.32 N ATOM 240 CA ALA A 31 25.107 19.092 1.238 1.00 8.94 C ATOM 241 C ALA A 31 25.630 19.361 -0.182 1.00 8.23 C ATOM 242 O ALA A 31 24.845 19.556 -1.108 1.00 8.58 O ATOM 243 CB ALA A 31 25.346 20.297 2.151 1.00 3.98 C ATOM 244 N ALA A 32 26.946 19.296 -0.365 1.00 9.29 N ATOM 245 CA ALA A 32 27.562 19.538 -1.678 1.00 8.23 C ATOM 246 C ALA A 32 27.088 18.534 -2.739 1.00 7.02 C ATOM 247 O ALA A 32 26.837 18.888 -3.897 1.00 6.44 O ATOM 248 CB ALA A 32 29.083 19.514 -1.559 1.00 5.77 C ATOM 249 N LYS A 33 26.967 17.277 -2.335 1.00 9.31 N ATOM 250 CA LYS A 33 26.503 16.221 -3.228 1.00 9.69 C ATOM 251 C LYS A 33 25.125 16.542 -3.791 1.00 10.24 C ATOM 252 O LYS A 33 24.936 16.568 -5.001 1.00 11.52 O ATOM 253 CB LYS A 33 26.456 14.874 -2.491 1.00 9.01 C ATOM 254 CG LYS A 33 25.854 13.723 -3.281 1.00 11.13 C ATOM 255 CD LYS A 33 26.565 13.509 -4.606 1.00 7.71 C ATOM 256 CE LYS A 33 25.998 12.288 -5.303 1.00 16.92 C ATOM 257 NZ LYS A 33 26.592 12.069 -6.655 1.00 12.91 N ATOM 258 N PHE A 34 24.175 16.840 -2.918 1.00 9.78 N ATOM 259 CA PHE A 34 22.829 17.124 -3.366 1.00 9.34 C ATOM 260 C PHE A 34 22.579 18.544 -3.851 1.00 9.09 C ATOM 261 O PHE A 34 21.558 18.806 -4.482 1.00 11.49 O ATOM 262 CB PHE A 34 21.824 16.676 -2.305 1.00 13.30 C ATOM 263 CG PHE A 34 21.889 15.208 -2.024 1.00 14.63 C ATOM 264 CD1 PHE A 34 21.572 14.287 -3.020 1.00 20.29 C ATOM 265 CD2 PHE A 34 22.338 14.735 -0.796 1.00 18.46 C ATOM 266 CE1 PHE A 34 21.714 12.911 -2.803 1.00 17.76 C ATOM 267 CE2 PHE A 34 22.482 13.357 -0.566 1.00 18.26 C ATOM 268 CZ PHE A 34 22.170 12.448 -1.570 1.00 14.38 C ATOM 269 N GLU A 35 23.512 19.459 -3.600 1.00 9.86 N ATOM 270 CA GLU A 35 23.346 20.829 -4.083 1.00 9.31 C ATOM 271 C GLU A 35 23.944 20.992 -5.483 1.00 7.85 C ATOM 272 O GLU A 35 23.287 21.504 -6.381 1.00 5.49 O ATOM 273 CB GLU A 35 24.009 21.858 -3.144 1.00 13.49 C ATOM 274 CG GLU A 35 23.330 22.065 -1.777 1.00 5.93 C ATOM 275 CD GLU A 35 22.014 22.813 -1.826 1.00 13.78 C ATOM 276 OE1 GLU A 35 21.665 23.405 -2.873 1.00 10.44 O ATOM 277 OE2 GLU A 35 21.314 22.798 -0.792 1.00 9.11 O ATOM 278 N SER A 36 25.169 20.510 -5.676 1.00 6.89 N ATOM 279 CA SER A 36 25.862 20.672 -6.943 1.00 7.49 C ATOM 280 C SER A 36 26.488 19.427 -7.555 1.00 10.60 C ATOM 281 O SER A 36 27.159 19.512 -8.583 1.00 12.16 O ATOM 282 CB SER A 36 26.975 21.676 -6.722 1.00 2.59 C ATOM 283 OG SER A 36 27.908 21.137 -5.802 1.00 2.00 O ATOM 284 N ASN A 37 26.267 18.276 -6.937 1.00 12.31 N ATOM 285 CA ASN A 37 26.856 17.020 -7.408 1.00 11.98 C ATOM 286 C ASN A 37 28.380 17.193 -7.474 1.00 11.23 C ATOM 287 O ASN A 37 29.051 16.741 -8.412 1.00 11.89 O ATOM 288 CB ASN A 37 26.290 16.613 -8.769 1.00 17.06 C ATOM 289 CG ASN A 37 26.386 15.106 -9.017 1.00 24.04 C ATOM 290 OD1 ASN A 37 26.741 14.338 -8.113 1.00 24.46 O ATOM 291 ND2 ASN A 37 26.043 14.673 -10.232 1.00 24.03 N ATOM 292 N PHE A 38 28.906 17.909 -6.482 1.00 10.06 N ATOM 293 CA PHE A 38 30.328 18.179 -6.364 1.00 8.42 C ATOM 294 C PHE A 38 30.923 18.994 -7.516 1.00 8.96 C ATOM 295 O PHE A 38 32.126 18.958 -7.739 1.00 5.55 O ATOM 296 CB PHE A 38 31.103 16.865 -6.180 1.00 9.99 C ATOM 297 CG PHE A 38 30.691 16.081 -4.956 1.00 8.08 C ATOM 298 CD1 PHE A 38 30.217 16.733 -3.815 1.00 6.85 C ATOM 299 CD2 PHE A 38 30.799 14.695 -4.933 1.00 11.04 C ATOM 300 CE1 PHE A 38 29.851 16.021 -2.677 1.00 2.00 C ATOM 301 CE2 PHE A 38 30.433 13.965 -3.794 1.00 10.50 C ATOM 302 CZ PHE A 38 29.963 14.634 -2.659 1.00 8.91 C ATOM 303 N ASN A 39 30.094 19.763 -8.214 1.00 7.64 N ATOM 304 CA ASN A 39 30.585 20.579 -9.325 1.00 9.34 C ATOM 305 C ASN A 39 30.788 22.037 -8.905 1.00 8.48 C ATOM 306 O ASN A 39 29.863 22.677 -8.397 1.00 7.82 O ATOM 307 CB ASN A 39 29.621 20.503 -10.514 1.00 11.20 C ATOM 308 CG ASN A 39 30.242 21.006 -11.804 1.00 13.38 C ATOM 309 OD1 ASN A 39 31.043 21.946 -11.805 1.00 16.90 O ATOM 310 ND2 ASN A 39 29.866 20.391 -12.913 1.00 12.83 N ATOM 311 N THR A 40 31.983 22.574 -9.153 1.00 6.88 N ATOM 312 CA THR A 40 32.270 23.958 -8.785 1.00 9.61 C ATOM 313 C THR A 40 31.586 25.033 -9.622 1.00 7.41 C ATOM 314 O THR A 40 31.295 26.105 -9.110 1.00 11.51 O ATOM 315 CB THR A 40 33.790 24.253 -8.693 1.00 5.05 C ATOM 316 OG1 THR A 40 34.440 23.937 -9.932 1.00 12.50 O ATOM 317 CG2 THR A 40 34.409 23.448 -7.545 1.00 7.55 C ATOM 318 N GLN A 41 31.251 24.742 -10.872 1.00 11.49 N ATOM 319 CA GLN A 41 30.616 25.756 -11.720 1.00 12.00 C ATOM 320 C GLN A 41 29.119 25.630 -11.921 1.00 11.50 C ATOM 321 O GLN A 41 28.560 26.273 -12.811 1.00 7.34 O ATOM 322 CB GLN A 41 31.286 25.803 -13.087 1.00 18.23 C ATOM 323 CG GLN A 41 32.769 26.092 -13.050 1.00 21.61 C ATOM 324 CD GLN A 41 33.333 26.178 -14.437 1.00 21.90 C ATOM 325 OE1 GLN A 41 32.601 26.033 -15.418 1.00 16.99 O ATOM 326 NE2 GLN A 41 34.637 26.423 -14.539 1.00 28.40 N ATOM 327 N ALA A 42 28.475 24.782 -11.132 1.00 11.04 N ATOM 328 CA ALA A 42 27.042 24.607 -11.258 1.00 11.52 C ATOM 329 C ALA A 42 26.330 25.904 -10.892 1.00 11.96 C ATOM 330 O ALA A 42 26.724 26.603 -9.953 1.00 8.66 O ATOM 331 CB ALA A 42 26.560 23.471 -10.364 1.00 12.93 C ATOM 332 N THR A 43 25.289 26.232 -11.650 1.00 11.93 N ATOM 333 CA THR A 43 24.504 27.434 -11.398 1.00 13.07 C ATOM 334 C THR A 43 23.035 27.115 -11.630 1.00 13.44 C ATOM 335 O THR A 43 22.711 26.259 -12.440 1.00 16.91 O ATOM 336 CB THR A 43 24.919 28.606 -12.319 1.00 15.57 C ATOM 337 OG1 THR A 43 24.737 28.231 -13.688 1.00 19.54 O ATOM 338 CG2 THR A 43 26.380 28.996 -12.083 1.00 10.96 C ATOM 339 N ASN A 44 22.150 27.790 -10.907 1.00 13.70 N ATOM 340 CA ASN A 44 20.714 27.562 -11.046 1.00 15.26 C ATOM 341 C ASN A 44 19.976 28.879 -10.895 1.00 12.57 C ATOM 342 O ASN A 44 20.229 29.620 -9.956 1.00 12.55 O ATOM 343 CB ASN A 44 20.217 26.549 -9.998 1.00 23.44 C ATOM 344 CG ASN A 44 20.667 25.123 -10.295 1.00 33.47 C ATOM 345 OD1 ASN A 44 20.694 24.700 -11.451 1.00 42.78 O ATOM 346 ND2 ASN A 44 20.981 24.364 -9.250 1.00 39.85 N ATOM 347 N ARG A 45 19.082 29.174 -11.832 1.00 13.80 N ATOM 348 CA ARG A 45 18.316 30.419 -11.810 1.00 14.58 C ATOM 349 C ARG A 45 16.974 30.219 -11.110 1.00 12.51 C ATOM 350 O ARG A 45 16.300 29.215 -11.311 1.00 12.76 O ATOM 351 CB ARG A 45 18.094 30.933 -13.241 1.00 16.44 C ATOM 352 CG ARG A 45 17.780 32.420 -13.327 1.00 28.47 C ATOM 353 CD ARG A 45 17.219 32.796 -14.695 1.00 40.71 C ATOM 354 NE ARG A 45 16.954 34.230 -14.853 1.00 47.39 N ATOM 355 CZ ARG A 45 16.184 34.965 -14.049 1.00 50.02 C ATOM 356 NH1 ARG A 45 15.576 34.423 -12.999 1.00 47.81 N ATOM 357 NH2 ARG A 45 15.986 36.248 -14.324 1.00 53.20 N ATOM 358 N ASN A 46 16.574 31.197 -10.310 1.00 12.53 N ATOM 359 CA ASN A 46 15.319 31.115 -9.569 1.00 14.30 C ATOM 360 C ASN A 46 14.302 32.133 -10.058 1.00 12.98 C ATOM 361 O ASN A 46 14.669 33.163 -10.626 1.00 14.70 O ATOM 362 CB ASN A 46 15.595 31.303 -8.078 1.00 12.13 C ATOM 363 CG ASN A 46 16.688 30.371 -7.570 1.00 11.56 C ATOM 364 OD1 ASN A 46 17.824 30.787 -7.320 1.00 9.88 O ATOM 365 ND2 ASN A 46 16.353 29.095 -7.445 1.00 13.82 N ATOM 366 N THR A 47 13.030 31.877 -9.764 1.00 11.77 N ATOM 367 CA THR A 47 11.936 32.747 -10.188 1.00 12.56 C ATOM 368 C THR A 47 12.088 34.190 -9.719 1.00 13.45 C ATOM 369 O THR A 47 11.618 35.113 -10.383 1.00 18.85 O ATOM 370 CB THR A 47 10.546 32.217 -9.719 1.00 8.16 C ATOM 371 OG1 THR A 47 10.505 32.183 -8.291 1.00 10.08 O ATOM 372 CG2 THR A 47 10.301 30.809 -10.227 1.00 14.20 C ATOM 373 N ASP A 48 12.784 34.384 -8.606 1.00 13.77 N ATOM 374 CA ASP A 48 12.974 35.722 -8.048 1.00 13.61 C ATOM 375 C ASP A 48 14.133 36.503 -8.690 1.00 12.57 C ATOM 376 O ASP A 48 14.567 37.529 -8.175 1.00 11.83 O ATOM 377 CB ASP A 48 13.167 35.624 -6.531 1.00 14.39 C ATOM 378 CG ASP A 48 14.485 34.994 -6.150 1.00 13.56 C ATOM 379 OD1 ASP A 48 15.162 34.361 -6.986 1.00 16.60 O ATOM 380 OD2 ASP A 48 14.865 35.167 -4.992 1.00 12.47 O ATOM 381 N GLY A 49 14.677 35.996 -9.781 1.00 8.94 N ATOM 382 CA GLY A 49 15.769 36.711 -10.421 1.00 10.67 C ATOM 383 C GLY A 49 17.167 36.391 -9.925 1.00 11.77 C ATOM 384 O GLY A 49 18.146 36.864 -10.507 1.00 13.53 O ATOM 385 N SER A 50 17.283 35.609 -8.854 1.00 13.37 N ATOM 386 CA SER A 50 18.603 35.246 -8.337 1.00 11.16 C ATOM 387 C SER A 50 19.113 33.944 -8.943 1.00 11.25 C ATOM 388 O SER A 50 18.376 33.213 -9.621 1.00 10.49 O ATOM 389 CB SER A 50 18.592 35.131 -6.807 1.00 11.12 C ATOM 390 OG SER A 50 17.714 34.112 -6.371 1.00 13.83 O ATOM 391 N THR A 51 20.387 33.673 -8.692 1.00 9.44 N ATOM 392 CA THR A 51 21.043 32.471 -9.173 1.00 8.79 C ATOM 393 C THR A 51 21.833 31.847 -8.029 1.00 6.33 C ATOM 394 O THR A 51 22.294 32.549 -7.124 1.00 4.77 O ATOM 395 CB THR A 51 21.994 32.803 -10.348 1.00 8.16 C ATOM 396 OG1 THR A 51 21.245 33.454 -11.380 1.00 8.17 O ATOM 397 CG2 THR A 51 22.662 31.542 -10.902 1.00 2.47 C ATOM 398 N ASP A 52 21.904 30.521 -8.033 1.00 8.15 N ATOM 399 CA ASP A 52 22.654 29.776 -7.038 1.00 5.87 C ATOM 400 C ASP A 52 23.999 29.518 -7.691 1.00 6.74 C ATOM 401 O ASP A 52 24.063 29.120 -8.851 1.00 5.56 O ATOM 402 CB ASP A 52 21.953 28.469 -6.718 1.00 8.12 C ATOM 403 CG ASP A 52 20.560 28.678 -6.187 1.00 6.21 C ATOM 404 OD1 ASP A 52 20.369 29.571 -5.338 1.00 20.80 O ATOM 405 OD2 ASP A 52 19.647 27.954 -6.622 1.00 17.10 O ATOM 406 N TYR A 53 25.073 29.761 -6.953 1.00 7.50 N ATOM 407 CA TYR A 53 26.408 29.596 -7.503 1.00 6.36 C ATOM 408 C TYR A 53 27.333 28.624 -6.796 1.00 6.00 C ATOM 409 O TYR A 53 27.459 28.623 -5.559 1.00 2.26 O ATOM 410 CB TYR A 53 27.127 30.952 -7.566 1.00 4.92 C ATOM 411 CG TYR A 53 26.495 31.981 -8.466 1.00 8.49 C ATOM 412 CD1 TYR A 53 26.869 32.081 -9.808 1.00 11.44 C ATOM 413 CD2 TYR A 53 25.577 32.909 -7.964 1.00 10.41 C ATOM 414 CE1 TYR A 53 26.349 33.080 -10.625 1.00 7.78 C ATOM 415 CE2 TYR A 53 25.053 33.913 -8.772 1.00 7.78 C ATOM 416 CZ TYR A 53 25.447 33.993 -10.098 1.00 10.31 C ATOM 417 OH TYR A 53 24.948 34.989 -10.899 1.00 6.25 O ATOM 418 N GLY A 54 28.012 27.830 -7.617 1.00 5.68 N ATOM 419 CA GLY A 54 29.001 26.902 -7.131 1.00 4.90 C ATOM 420 C GLY A 54 28.620 25.614 -6.451 1.00 6.42 C ATOM 421 O GLY A 54 27.477 25.164 -6.472 1.00 6.48 O ATOM 422 N ILE A 55 29.633 25.054 -5.799 1.00 9.59 N ATOM 423 CA ILE A 55 29.551 23.790 -5.105 1.00 6.22 C ATOM 424 C ILE A 55 28.569 23.781 -3.937 1.00 7.76 C ATOM 425 O ILE A 55 27.910 22.765 -3.691 1.00 6.27 O ATOM 426 CB ILE A 55 30.977 23.306 -4.732 1.00 10.94 C ATOM 427 CG1 ILE A 55 30.969 21.818 -4.387 1.00 4.29 C ATOM 428 CG2 ILE A 55 31.581 24.174 -3.630 1.00 12.49 C ATOM 429 CD1 ILE A 55 32.308 21.190 -4.547 1.00 2.74 C ATOM 430 N LEU A 56 28.422 24.921 -3.259 1.00 7.89 N ATOM 431 CA LEU A 56 27.479 25.028 -2.151 1.00 7.90 C ATOM 432 C LEU A 56 26.230 25.836 -2.518 1.00 8.35 C ATOM 433 O LEU A 56 25.461 26.246 -1.640 1.00 8.87 O ATOM 434 CB LEU A 56 28.154 25.573 -0.885 1.00 11.47 C ATOM 435 CG LEU A 56 28.889 24.595 0.054 1.00 10.50 C ATOM 436 CD1 LEU A 56 27.993 23.399 0.389 1.00 10.84 C ATOM 437 CD2 LEU A 56 30.176 24.119 -0.558 1.00 14.49 C ATOM 438 N GLN A 57 26.022 26.025 -3.820 1.00 5.98 N ATOM 439 CA GLN A 57 24.872 26.744 -4.378 1.00 5.42 C ATOM 440 C GLN A 57 24.442 27.990 -3.617 1.00 5.23 C ATOM 441 O GLN A 57 23.277 28.165 -3.267 1.00 7.10 O ATOM 442 CB GLN A 57 23.702 25.772 -4.564 1.00 5.32 C ATOM 443 CG GLN A 57 23.928 24.740 -5.678 1.00 6.41 C ATOM 444 CD GLN A 57 23.885 25.343 -7.082 1.00 12.87 C ATOM 445 OE1 GLN A 57 22.814 25.684 -7.596 1.00 14.44 O ATOM 446 NE2 GLN A 57 25.041 25.462 -7.712 1.00 7.01 N ATOM 447 N ILE A 58 25.389 28.894 -3.431 1.00 7.64 N ATOM 448 CA ILE A 58 25.150 30.130 -2.705 1.00 7.31 C ATOM 449 C ILE A 58 24.362 31.161 -3.521 1.00 8.71 C ATOM 450 O ILE A 58 24.779 31.587 -4.598 1.00 7.87 O ATOM 451 CB ILE A 58 26.486 30.651 -2.111 1.00 7.58 C ATOM 452 CG1 ILE A 58 27.045 29.561 -1.169 1.00 5.24 C ATOM 453 CG2 ILE A 58 26.276 31.968 -1.359 1.00 3.54 C ATOM 454 CD1 ILE A 58 28.314 29.913 -0.438 1.00 6.60 C ATOM 455 N ASN A 59 23.169 31.474 -3.019 1.00 10.23 N ATOM 456 CA ASN A 59 22.225 32.397 -3.648 1.00 8.96 C ATOM 457 C ASN A 59 22.693 33.850 -3.704 1.00 9.09 C ATOM 458 O ASN A 59 23.222 34.376 -2.727 1.00 9.88 O ATOM 459 CB ASN A 59 20.876 32.310 -2.914 1.00 12.15 C ATOM 460 CG ASN A 59 19.776 33.058 -3.626 1.00 6.24 C ATOM 461 OD1 ASN A 59 19.566 34.242 -3.389 1.00 8.31 O ATOM 462 ND2 ASN A 59 19.078 32.373 -4.520 1.00 9.93 N ATOM 463 N SER A 60 22.386 34.519 -4.813 1.00 10.05 N ATOM 464 CA SER A 60 22.778 35.911 -5.038 1.00 10.64 C ATOM 465 C SER A 60 21.900 37.015 -4.418 1.00 10.23 C ATOM 466 O SER A 60 22.279 38.182 -4.450 1.00 8.86 O ATOM 467 CB SER A 60 22.923 36.174 -6.544 1.00 7.86 C ATOM 468 OG SER A 60 21.677 36.046 -7.217 1.00 10.08 O ATOM 469 N ARG A 61 20.713 36.683 -3.921 1.00 12.08 N ATOM 470 CA ARG A 61 19.866 37.719 -3.334 1.00 14.02 C ATOM 471 C ARG A 61 20.337 38.156 -1.951 1.00 14.93 C ATOM 472 O ARG A 61 20.106 39.291 -1.549 1.00 20.60 O ATOM 473 CB ARG A 61 18.403 37.279 -3.265 1.00 16.97 C ATOM 474 CG ARG A 61 17.465 38.377 -2.772 1.00 16.64 C ATOM 475 CD ARG A 61 16.034 37.908 -2.706 1.00 21.85 C ATOM 476 NE ARG A 61 15.163 38.909 -2.095 1.00 28.25 N ATOM 477 CZ ARG A 61 13.834 38.847 -2.093 1.00 30.59 C ATOM 478 NH1 ARG A 61 13.210 37.826 -2.679 1.00 27.31 N ATOM 479 NH2 ARG A 61 13.128 39.799 -1.490 1.00 31.30 N ATOM 480 N TRP A 62 20.990 37.265 -1.215 1.00 12.93 N ATOM 481 CA TRP A 62 21.466 37.615 0.121 1.00 8.57 C ATOM 482 C TRP A 62 22.970 37.544 0.296 1.00 9.21 C ATOM 483 O TRP A 62 23.543 38.326 1.039 1.00 12.95 O ATOM 484 CB TRP A 62 20.891 36.667 1.188 1.00 6.11 C ATOM 485 CG TRP A 62 19.455 36.324 1.064 1.00 9.60 C ATOM 486 CD1 TRP A 62 18.927 35.147 0.617 1.00 11.88 C ATOM 487 CD2 TRP A 62 18.354 37.159 1.402 1.00 17.20 C ATOM 488 NE1 TRP A 62 17.555 35.199 0.655 1.00 15.67 N ATOM 489 CE2 TRP A 62 17.167 36.435 1.129 1.00 12.21 C ATOM 490 CE3 TRP A 62 18.228 38.467 1.903 1.00 16.92 C ATOM 491 CZ2 TRP A 62 15.898 36.950 1.344 1.00 13.80 C ATOM 492 CZ3 TRP A 62 16.960 38.985 2.120 1.00 17.74 C ATOM 493 CH2 TRP A 62 15.813 38.230 1.836 1.00 13.58 C ATOM 494 N TRP A 63 23.621 36.633 -0.409 1.00 9.36 N ATOM 495 CA TRP A 63 25.035 36.413 -0.157 1.00 9.61 C ATOM 496 C TRP A 63 26.123 36.972 -1.032 1.00 9.31 C ATOM 497 O TRP A 63 27.147 37.438 -0.515 1.00 11.94 O ATOM 498 CB TRP A 63 25.240 34.927 0.096 1.00 7.41 C ATOM 499 CG TRP A 63 24.206 34.408 1.061 1.00 6.04 C ATOM 500 CD1 TRP A 63 23.115 33.640 0.757 1.00 2.00 C ATOM 501 CD2 TRP A 63 24.143 34.669 2.462 1.00 2.00 C ATOM 502 NE1 TRP A 63 22.374 33.407 1.889 1.00 2.00 N ATOM 503 CE2 TRP A 63 22.976 34.038 2.953 1.00 3.12 C ATOM 504 CE3 TRP A 63 24.954 35.384 3.363 1.00 3.90 C ATOM 505 CZ2 TRP A 63 22.604 34.094 4.288 1.00 2.19 C ATOM 506 CZ3 TRP A 63 24.585 35.435 4.687 1.00 2.00 C ATOM 507 CH2 TRP A 63 23.411 34.796 5.145 1.00 4.17 C ATOM 508 N CYS A 64 25.943 36.935 -2.342 1.00 11.31 N ATOM 509 CA CYS A 64 26.966 37.465 -3.222 1.00 8.16 C ATOM 510 C CYS A 64 26.354 38.429 -4.227 1.00 8.17 C ATOM 511 O CYS A 64 25.128 38.527 -4.365 1.00 5.32 O ATOM 512 CB CYS A 64 27.722 36.327 -3.929 1.00 7.57 C ATOM 513 SG CYS A 64 26.664 35.257 -4.954 1.00 5.53 S ATOM 514 N ASN A 65 27.220 39.189 -4.883 1.00 6.56 N ATOM 515 CA ASN A 65 26.775 40.136 -5.882 1.00 4.61 C ATOM 516 C ASN A 65 27.099 39.611 -7.277 1.00 2.00 C ATOM 517 O ASN A 65 28.253 39.289 -7.574 1.00 2.45 O ATOM 518 CB ASN A 65 27.460 41.489 -5.677 1.00 5.90 C ATOM 519 CG ASN A 65 27.074 42.495 -6.743 1.00 2.70 C ATOM 520 OD1 ASN A 65 25.909 42.588 -7.125 1.00 8.03 O ATOM 521 ND2 ASN A 65 28.053 43.224 -7.256 1.00 13.87 N ATOM 522 N ASP A 66 26.076 39.457 -8.107 1.00 3.81 N ATOM 523 CA ASP A 66 26.295 39.017 -9.475 1.00 8.29 C ATOM 524 C ASP A 66 25.958 40.157 -10.428 1.00 12.63 C ATOM 525 O ASP A 66 26.101 40.026 -11.646 1.00 15.54 O ATOM 526 CB ASP A 66 25.529 37.731 -9.810 1.00 7.04 C ATOM 527 CG ASP A 66 24.010 37.888 -9.782 1.00 8.15 C ATOM 528 OD1 ASP A 66 23.463 38.969 -9.466 1.00 7.27 O ATOM 529 OD2 ASP A 66 23.348 36.886 -10.112 1.00 11.73 O ATOM 530 N GLY A 67 25.439 41.244 -9.849 1.00 13.21 N ATOM 531 CA GLY A 67 25.097 42.436 -10.605 1.00 14.10 C ATOM 532 C GLY A 67 23.788 42.478 -11.376 1.00 12.23 C ATOM 533 O GLY A 67 23.471 43.514 -11.968 1.00 12.54 O ATOM 534 N ARG A 68 22.981 41.421 -11.307 1.00 11.50 N ATOM 535 CA ARG A 68 21.714 41.397 -12.042 1.00 10.18 C ATOM 536 C ARG A 68 20.521 40.842 -11.283 1.00 9.16 C ATOM 537 O ARG A 68 19.496 40.515 -11.882 1.00 8.40 O ATOM 538 CB ARG A 68 21.894 40.675 -13.388 1.00 14.31 C ATOM 539 CG ARG A 68 22.726 39.407 -13.311 1.00 20.06 C ATOM 540 CD ARG A 68 21.855 38.187 -13.162 1.00 27.02 C ATOM 541 NE ARG A 68 21.213 37.827 -14.422 1.00 36.29 N ATOM 542 CZ ARG A 68 19.935 37.484 -14.549 1.00 39.47 C ATOM 543 NH1 ARG A 68 19.135 37.462 -13.490 1.00 44.51 N ATOM 544 NH2 ARG A 68 19.473 37.094 -15.730 1.00 45.22 N ATOM 545 N THR A 69 20.640 40.793 -9.960 1.00 14.04 N ATOM 546 CA THR A 69 19.575 40.298 -9.096 1.00 15.58 C ATOM 547 C THR A 69 18.883 41.487 -8.431 1.00 20.90 C ATOM 548 O THR A 69 19.500 42.214 -7.655 1.00 20.03 O ATOM 549 CB THR A 69 20.137 39.356 -8.033 1.00 12.22 C ATOM 550 OG1 THR A 69 20.931 38.351 -8.670 1.00 5.00 O ATOM 551 CG2 THR A 69 19.016 38.717 -7.234 1.00 10.32 C ATOM 552 N PRO A 70 17.577 41.670 -8.704 1.00 27.64 N ATOM 553 CA PRO A 70 16.683 42.728 -8.214 1.00 30.48 C ATOM 554 C PRO A 70 17.053 43.506 -6.945 1.00 31.74 C ATOM 555 O PRO A 70 17.604 44.604 -7.035 1.00 39.14 O ATOM 556 CB PRO A 70 15.358 41.998 -8.090 1.00 31.81 C ATOM 557 CG PRO A 70 15.365 41.173 -9.331 1.00 35.07 C ATOM 558 CD PRO A 70 16.796 40.636 -9.411 1.00 28.92 C ATOM 559 N GLY A 71 16.696 42.990 -5.774 1.00 28.80 N ATOM 560 CA GLY A 71 17.009 43.700 -4.543 1.00 26.90 C ATOM 561 C GLY A 71 18.034 42.939 -3.741 1.00 27.64 C ATOM 562 O GLY A 71 17.777 42.522 -2.616 1.00 30.08 O ATOM 563 N SER A 72 19.210 42.782 -4.327 1.00 28.01 N ATOM 564 CA SER A 72 20.280 42.031 -3.705 1.00 28.16 C ATOM 565 C SER A 72 21.035 42.634 -2.552 1.00 28.53 C ATOM 566 O SER A 72 21.187 43.850 -2.423 1.00 28.06 O ATOM 567 CB SER A 72 21.303 41.589 -4.749 1.00 27.67 C ATOM 568 OG SER A 72 20.742 40.624 -5.611 1.00 41.76 O ATOM 569 N ARG A 73 21.540 41.712 -1.743 1.00 27.12 N ATOM 570 CA ARG A 73 22.382 41.989 -0.603 1.00 24.86 C ATOM 571 C ARG A 73 23.657 41.261 -0.975 1.00 21.36 C ATOM 572 O ARG A 73 23.673 40.431 -1.891 1.00 20.40 O ATOM 573 CB ARG A 73 21.800 41.394 0.672 1.00 29.71 C ATOM 574 CG ARG A 73 20.770 42.277 1.306 1.00 36.25 C ATOM 575 CD ARG A 73 20.208 41.670 2.560 1.00 48.27 C ATOM 576 NE ARG A 73 19.220 42.569 3.145 1.00 57.80 N ATOM 577 CZ ARG A 73 17.944 42.624 2.775 1.00 61.14 C ATOM 578 NH1 ARG A 73 17.487 41.818 1.823 1.00 67.64 N ATOM 579 NH2 ARG A 73 17.138 43.523 3.316 1.00 64.80 N ATOM 580 N ASN A 74 24.740 41.629 -0.320 1.00 18.72 N ATOM 581 CA ASN A 74 26.027 41.016 -0.574 1.00 16.60 C ATOM 582 C ASN A 74 26.587 40.792 0.811 1.00 15.08 C ATOM 583 O ASN A 74 27.619 41.353 1.167 1.00 17.34 O ATOM 584 CB ASN A 74 26.902 41.985 -1.370 1.00 12.71 C ATOM 585 CG ASN A 74 28.209 41.371 -1.826 1.00 13.36 C ATOM 586 OD1 ASN A 74 29.084 42.073 -2.328 1.00 18.19 O ATOM 587 ND2 ASN A 74 28.337 40.059 -1.695 1.00 5.37 N ATOM 588 N LEU A 75 25.901 39.949 1.583 1.00 13.36 N ATOM 589 CA LEU A 75 26.285 39.666 2.965 1.00 12.99 C ATOM 590 C LEU A 75 27.650 39.010 3.176 1.00 12.46 C ATOM 591 O LEU A 75 28.230 39.116 4.255 1.00 10.02 O ATOM 592 CB LEU A 75 25.162 38.898 3.686 1.00 14.35 C ATOM 593 CG LEU A 75 24.084 39.700 4.444 1.00 15.75 C ATOM 594 CD1 LEU A 75 23.779 41.039 3.803 1.00 15.40 C ATOM 595 CD2 LEU A 75 22.825 38.874 4.572 1.00 18.49 C ATOM 596 N CYS A 76 28.176 38.360 2.144 1.00 11.17 N ATOM 597 CA CYS A 76 29.493 37.728 2.239 1.00 12.02 C ATOM 598 C CYS A 76 30.551 38.633 1.635 1.00 12.48 C ATOM 599 O CYS A 76 31.740 38.334 1.689 1.00 11.83 O ATOM 600 CB CYS A 76 29.511 36.375 1.529 1.00 9.26 C ATOM 601 SG CYS A 76 28.706 35.038 2.455 1.00 6.88 S ATOM 602 N ASN A 77 30.097 39.730 1.030 1.00 13.99 N ATOM 603 CA ASN A 77 30.953 40.739 0.397 1.00 14.75 C ATOM 604 C ASN A 77 31.902 40.148 -0.623 1.00 15.84 C ATOM 605 O ASN A 77 33.104 40.408 -0.612 1.00 14.90 O ATOM 606 CB ASN A 77 31.732 41.525 1.451 1.00 18.44 C ATOM 607 CG ASN A 77 32.169 42.880 0.944 1.00 20.01 C ATOM 608 OD1 ASN A 77 33.363 43.168 0.861 1.00 23.10 O ATOM 609 ND2 ASN A 77 31.200 43.740 0.628 1.00 25.10 N ATOM 610 N ILE A 78 31.342 39.404 -1.559 1.00 15.96 N ATOM 611 CA ILE A 78 32.140 38.737 -2.576 1.00 13.63 C ATOM 612 C ILE A 78 31.333 38.643 -3.875 1.00 12.65 C ATOM 613 O ILE A 78 30.095 38.685 -3.842 1.00 9.68 O ATOM 614 CB ILE A 78 32.544 37.298 -2.062 1.00 11.95 C ATOM 615 CG1 ILE A 78 33.502 36.607 -3.027 1.00 15.20 C ATOM 616 CG2 ILE A 78 31.317 36.435 -1.834 1.00 9.45 C ATOM 617 CD1 ILE A 78 34.957 36.697 -2.579 1.00 24.31 C ATOM 618 N PRO A 79 32.015 38.736 -5.034 1.00 10.27 N ATOM 619 CA PRO A 79 31.311 38.640 -6.315 1.00 11.83 C ATOM 620 C PRO A 79 30.895 37.174 -6.475 1.00 12.02 C ATOM 621 O PRO A 79 31.607 36.282 -5.988 1.00 7.23 O ATOM 622 CB PRO A 79 32.388 39.049 -7.332 1.00 9.02 C ATOM 623 CG PRO A 79 33.667 38.705 -6.649 1.00 9.53 C ATOM 624 CD PRO A 79 33.413 39.154 -5.237 1.00 9.04 C ATOM 625 N CYS A 80 29.772 36.909 -7.148 1.00 7.83 N ATOM 626 CA CYS A 80 29.304 35.533 -7.289 1.00 6.84 C ATOM 627 C CYS A 80 30.242 34.663 -8.138 1.00 9.00 C ATOM 628 O CYS A 80 30.346 33.460 -7.908 1.00 7.01 O ATOM 629 CB CYS A 80 27.873 35.466 -7.829 1.00 5.92 C ATOM 630 SG CYS A 80 26.577 36.200 -6.764 1.00 9.41 S ATOM 631 N SER A 81 30.950 35.296 -9.074 1.00 10.63 N ATOM 632 CA SER A 81 31.907 34.593 -9.942 1.00 14.47 C ATOM 633 C SER A 81 33.006 33.869 -9.143 1.00 14.03 C ATOM 634 O SER A 81 33.414 32.758 -9.487 1.00 15.57 O ATOM 635 CB SER A 81 32.562 35.596 -10.893 1.00 18.89 C ATOM 636 OG SER A 81 33.145 36.656 -10.156 1.00 26.50 O ATOM 637 N ALA A 82 33.461 34.506 -8.066 1.00 13.25 N ATOM 638 CA ALA A 82 34.500 33.930 -7.210 1.00 12.28 C ATOM 639 C ALA A 82 34.065 32.616 -6.545 1.00 11.56 C ATOM 640 O ALA A 82 34.892 31.861 -6.039 1.00 13.68 O ATOM 641 CB ALA A 82 34.929 34.942 -6.159 1.00 9.72 C ATOM 642 N LEU A 83 32.766 32.347 -6.551 1.00 8.79 N ATOM 643 CA LEU A 83 32.243 31.129 -5.962 1.00 9.48 C ATOM 644 C LEU A 83 32.259 29.998 -6.986 1.00 12.02 C ATOM 645 O LEU A 83 31.984 28.845 -6.652 1.00 11.69 O ATOM 646 CB LEU A 83 30.815 31.357 -5.474 1.00 6.55 C ATOM 647 CG LEU A 83 30.617 32.511 -4.490 1.00 17.82 C ATOM 648 CD1 LEU A 83 29.170 32.533 -4.009 1.00 12.98 C ATOM 649 CD2 LEU A 83 31.568 32.366 -3.309 1.00 13.03 C ATOM 650 N LEU A 84 32.602 30.325 -8.230 1.00 13.44 N ATOM 651 CA LEU A 84 32.637 29.333 -9.305 1.00 13.73 C ATOM 652 C LEU A 84 34.023 28.782 -9.626 1.00 12.65 C ATOM 653 O LEU A 84 34.233 28.191 -10.682 1.00 15.51 O ATOM 654 CB LEU A 84 32.016 29.914 -10.583 1.00 8.68 C ATOM 655 CG LEU A 84 30.538 30.325 -10.574 1.00 7.70 C ATOM 656 CD1 LEU A 84 30.158 30.831 -11.962 1.00 7.48 C ATOM 657 CD2 LEU A 84 29.654 29.153 -10.175 1.00 3.10 C ATOM 658 N SER A 85 34.991 29.009 -8.754 1.00 14.79 N ATOM 659 CA SER A 85 36.329 28.515 -9.032 1.00 16.35 C ATOM 660 C SER A 85 36.572 27.123 -8.477 1.00 17.62 C ATOM 661 O SER A 85 35.778 26.602 -7.686 1.00 18.74 O ATOM 662 CB SER A 85 37.388 29.486 -8.509 1.00 17.28 C ATOM 663 OG SER A 85 37.635 29.295 -7.133 1.00 28.31 O ATOM 664 N SER A 86 37.686 26.533 -8.898 1.00 18.14 N ATOM 665 CA SER A 86 38.102 25.201 -8.471 1.00 20.52 C ATOM 666 C SER A 86 38.590 25.197 -7.014 1.00 18.83 C ATOM 667 O SER A 86 38.607 24.157 -6.358 1.00 19.24 O ATOM 668 CB SER A 86 39.200 24.701 -9.411 1.00 25.49 C ATOM 669 OG SER A 86 40.060 25.771 -9.782 1.00 31.56 O ATOM 670 N ASP A 87 39.019 26.364 -6.540 1.00 18.62 N ATOM 671 CA ASP A 87 39.491 26.558 -5.176 1.00 16.34 C ATOM 672 C ASP A 87 38.269 26.941 -4.345 1.00 14.22 C ATOM 673 O ASP A 87 37.803 28.072 -4.395 1.00 17.13 O ATOM 674 CB ASP A 87 40.537 27.680 -5.152 1.00 17.45 C ATOM 675 CG ASP A 87 40.932 28.098 -3.741 1.00 28.57 C ATOM 676 OD1 ASP A 87 40.758 27.306 -2.788 1.00 31.77 O ATOM 677 OD2 ASP A 87 41.434 29.230 -3.584 1.00 33.11 O ATOM 678 N ILE A 88 37.793 26.011 -3.532 1.00 9.57 N ATOM 679 CA ILE A 88 36.596 26.237 -2.713 1.00 9.02 C ATOM 680 C ILE A 88 36.646 27.262 -1.578 1.00 8.51 C ATOM 681 O ILE A 88 35.614 27.538 -0.954 1.00 8.79 O ATOM 682 CB ILE A 88 36.080 24.912 -2.119 1.00 9.20 C ATOM 683 CG1 ILE A 88 37.138 24.289 -1.188 1.00 3.59 C ATOM 684 CG2 ILE A 88 35.711 23.954 -3.239 1.00 3.60 C ATOM 685 CD1 ILE A 88 36.607 23.146 -0.334 1.00 11.48 C ATOM 686 N THR A 89 37.817 27.834 -1.314 1.00 6.37 N ATOM 687 CA THR A 89 37.971 28.804 -0.222 1.00 10.08 C ATOM 688 C THR A 89 36.884 29.872 -0.101 1.00 7.49 C ATOM 689 O THR A 89 36.331 30.054 0.975 1.00 11.03 O ATOM 690 CB THR A 89 39.329 29.542 -0.275 1.00 10.50 C ATOM 691 OG1 THR A 89 40.381 28.600 -0.493 1.00 16.25 O ATOM 692 CG2 THR A 89 39.588 30.261 1.046 1.00 11.99 C ATOM 693 N ALA A 90 36.601 30.604 -1.180 1.00 8.21 N ATOM 694 CA ALA A 90 35.584 31.660 -1.146 1.00 5.78 C ATOM 695 C ALA A 90 34.218 31.112 -0.729 1.00 3.33 C ATOM 696 O ALA A 90 33.508 31.728 0.066 1.00 2.21 O ATOM 697 CB ALA A 90 35.493 32.369 -2.514 1.00 5.22 C ATOM 698 N SER A 91 33.855 29.957 -1.282 1.00 3.90 N ATOM 699 CA SER A 91 32.588 29.297 -0.972 1.00 3.70 C ATOM 700 C SER A 91 32.555 28.885 0.500 1.00 3.53 C ATOM 701 O SER A 91 31.538 29.049 1.181 1.00 4.64 O ATOM 702 CB SER A 91 32.405 28.052 -1.853 1.00 2.84 C ATOM 703 OG SER A 91 32.294 28.407 -3.222 1.00 10.83 O ATOM 704 N VAL A 92 33.665 28.328 0.978 1.00 4.03 N ATOM 705 CA VAL A 92 33.778 27.899 2.366 1.00 5.86 C ATOM 706 C VAL A 92 33.658 29.100 3.305 1.00 5.37 C ATOM 707 O VAL A 92 32.892 29.066 4.266 1.00 6.39 O ATOM 708 CB VAL A 92 35.128 27.185 2.627 1.00 5.71 C ATOM 709 CG1 VAL A 92 35.350 26.990 4.108 1.00 2.00 C ATOM 710 CG2 VAL A 92 35.153 25.832 1.922 1.00 9.98 C ATOM 711 N ASN A 93 34.410 30.160 3.017 1.00 3.33 N ATOM 712 CA ASN A 93 34.391 31.360 3.852 1.00 3.80 C ATOM 713 C ASN A 93 33.010 32.001 3.903 1.00 2.00 C ATOM 714 O ASN A 93 32.614 32.507 4.937 1.00 4.95 O ATOM 715 CB ASN A 93 35.454 32.375 3.402 1.00 5.30 C ATOM 716 CG ASN A 93 36.878 31.831 3.527 1.00 15.73 C ATOM 717 OD1 ASN A 93 37.112 30.804 4.172 1.00 19.68 O ATOM 718 ND2 ASN A 93 37.836 32.519 2.909 1.00 15.15 N ATOM 719 N CYS A 94 32.266 31.954 2.802 1.00 2.00 N ATOM 720 CA CYS A 94 30.919 32.516 2.789 1.00 2.61 C ATOM 721 C CYS A 94 29.952 31.572 3.526 1.00 3.78 C ATOM 722 O CYS A 94 29.154 32.009 4.362 1.00 3.64 O ATOM 723 CB CYS A 94 30.455 32.761 1.353 1.00 2.23 C ATOM 724 SG CYS A 94 28.768 33.443 1.187 1.00 6.94 S ATOM 725 N ALA A 95 30.081 30.272 3.272 1.00 3.90 N ATOM 726 CA ALA A 95 29.233 29.251 3.911 1.00 6.63 C ATOM 727 C ALA A 95 29.307 29.334 5.438 1.00 5.99 C ATOM 728 O ALA A 95 28.306 29.139 6.133 1.00 7.81 O ATOM 729 CB ALA A 95 29.632 27.851 3.431 1.00 5.30 C ATOM 730 N LYS A 96 30.488 29.663 5.953 1.00 8.06 N ATOM 731 CA LYS A 96 30.699 29.817 7.395 1.00 4.87 C ATOM 732 C LYS A 96 29.876 30.984 7.940 1.00 4.61 C ATOM 733 O LYS A 96 29.408 30.943 9.075 1.00 4.28 O ATOM 734 CB LYS A 96 32.181 30.053 7.684 1.00 3.32 C ATOM 735 CG LYS A 96 33.002 28.785 7.631 1.00 5.22 C ATOM 736 CD LYS A 96 34.483 29.085 7.641 1.00 8.97 C ATOM 737 CE LYS A 96 35.234 27.922 8.251 1.00 3.91 C ATOM 738 NZ LYS A 96 36.697 28.143 8.233 1.00 12.61 N ATOM 739 N LYS A 97 29.726 32.029 7.133 1.00 5.62 N ATOM 740 CA LYS A 97 28.948 33.210 7.513 1.00 7.50 C ATOM 741 C LYS A 97 27.455 32.899 7.488 1.00 9.58 C ATOM 742 O LYS A 97 26.719 33.323 8.380 1.00 13.24 O ATOM 743 CB LYS A 97 29.252 34.394 6.587 1.00 6.04 C ATOM 744 CG LYS A 97 30.672 34.916 6.704 1.00 5.11 C ATOM 745 CD LYS A 97 30.983 35.939 5.638 1.00 6.73 C ATOM 746 CE LYS A 97 32.383 36.487 5.845 1.00 10.39 C ATOM 747 NZ LYS A 97 32.694 37.592 4.895 1.00 24.33 N ATOM 748 N ILE A 98 27.018 32.151 6.475 1.00 12.11 N ATOM 749 CA ILE A 98 25.613 31.764 6.327 1.00 9.70 C ATOM 750 C ILE A 98 25.159 30.896 7.512 1.00 12.52 C ATOM 751 O ILE A 98 24.121 31.163 8.129 1.00 10.99 O ATOM 752 CB ILE A 98 25.385 30.978 4.995 1.00 11.45 C ATOM 753 CG1 ILE A 98 25.859 31.809 3.792 1.00 6.14 C ATOM 754 CG2 ILE A 98 23.909 30.595 4.834 1.00 3.26 C ATOM 755 CD1 ILE A 98 25.814 31.074 2.465 1.00 2.00 C ATOM 756 N VAL A 99 25.981 29.910 7.874 1.00 13.55 N ATOM 757 CA VAL A 99 25.659 28.992 8.969 1.00 16.95 C ATOM 758 C VAL A 99 25.631 29.658 10.355 1.00 20.23 C ATOM 759 O VAL A 99 25.044 29.123 11.299 1.00 20.32 O ATOM 760 CB VAL A 99 26.609 27.754 8.958 1.00 16.70 C ATOM 761 CG1 VAL A 99 27.944 28.074 9.610 1.00 16.06 C ATOM 762 CG2 VAL A 99 25.943 26.562 9.617 1.00 21.02 C ATOM 763 N SER A 100 26.229 30.843 10.458 1.00 17.72 N ATOM 764 CA SER A 100 26.269 31.598 11.709 1.00 20.12 C ATOM 765 C SER A 100 25.151 32.639 11.764 1.00 22.28 C ATOM 766 O SER A 100 25.057 33.393 12.730 1.00 23.50 O ATOM 767 CB SER A 100 27.611 32.337 11.851 1.00 11.18 C ATOM 768 OG SER A 100 28.704 31.444 11.962 1.00 17.59 O ATOM 769 N ASP A 101 24.304 32.672 10.740 1.00 26.59 N ATOM 770 CA ASP A 101 23.239 33.664 10.667 1.00 32.83 C ATOM 771 C ASP A 101 21.848 33.352 11.211 1.00 36.85 C ATOM 772 O ASP A 101 21.059 34.275 11.433 1.00 38.72 O ATOM 773 CB ASP A 101 23.130 34.222 9.244 1.00 35.74 C ATOM 774 CG ASP A 101 24.021 35.439 9.028 1.00 41.91 C ATOM 775 OD1 ASP A 101 25.240 35.355 9.309 1.00 47.61 O ATOM 776 OD2 ASP A 101 23.496 36.488 8.592 1.00 37.51 O ATOM 777 N GLY A 102 21.512 32.080 11.401 1.00 38.62 N ATOM 778 CA GLY A 102 20.186 31.788 11.925 1.00 39.83 C ATOM 779 C GLY A 102 19.810 30.333 12.097 1.00 39.29 C ATOM 780 O GLY A 102 19.987 29.762 13.174 1.00 39.59 O ATOM 781 N ASN A 103 19.256 29.741 11.045 1.00 37.55 N ATOM 782 CA ASN A 103 18.837 28.345 11.090 1.00 36.17 C ATOM 783 C ASN A 103 19.885 27.340 10.615 1.00 30.94 C ATOM 784 O ASN A 103 19.595 26.461 9.801 1.00 29.94 O ATOM 785 CB ASN A 103 17.508 28.143 10.351 1.00 40.26 C ATOM 786 CG ASN A 103 17.415 28.954 9.068 1.00 50.64 C ATOM 787 OD1 ASN A 103 18.369 29.037 8.284 1.00 57.83 O ATOM 788 ND2 ASN A 103 16.283 29.598 8.877 1.00 55.03 N ATOM 789 N GLY A 104 21.089 27.452 11.171 1.00 27.87 N ATOM 790 CA GLY A 104 22.174 26.545 10.836 1.00 21.88 C ATOM 791 C GLY A 104 22.311 26.193 9.366 1.00 18.70 C ATOM 792 O GLY A 104 22.498 27.076 8.530 1.00 17.33 O ATOM 793 N MET A 105 22.231 24.902 9.053 1.00 14.94 N ATOM 794 CA MET A 105 22.356 24.445 7.678 1.00 12.75 C ATOM 795 C MET A 105 21.024 24.329 6.946 1.00 10.84 C ATOM 796 O MET A 105 20.975 23.884 5.804 1.00 11.04 O ATOM 797 CB MET A 105 23.132 23.132 7.609 1.00 11.91 C ATOM 798 CG MET A 105 24.622 23.287 7.868 1.00 12.97 C ATOM 799 SD MET A 105 25.562 21.791 7.512 1.00 9.23 S ATOM 800 CE MET A 105 25.495 21.781 5.743 1.00 4.12 C ATOM 801 N ASN A 106 19.950 24.768 7.588 1.00 10.68 N ATOM 802 CA ASN A 106 18.632 24.736 6.965 1.00 10.84 C ATOM 803 C ASN A 106 18.643 25.709 5.794 1.00 13.22 C ATOM 804 O ASN A 106 17.706 25.765 5.004 1.00 14.88 O ATOM 805 CB ASN A 106 17.552 25.129 7.969 1.00 12.38 C ATOM 806 CG ASN A 106 17.315 24.058 9.005 1.00 14.97 C ATOM 807 OD1 ASN A 106 17.082 22.898 8.662 1.00 19.34 O ATOM 808 ND2 ASN A 106 17.406 24.426 10.277 1.00 17.05 N ATOM 809 N ALA A 107 19.719 26.482 5.693 1.00 10.01 N ATOM 810 CA ALA A 107 19.904 27.441 4.605 1.00 10.66 C ATOM 811 C ALA A 107 20.055 26.695 3.276 1.00 10.59 C ATOM 812 O ALA A 107 19.799 27.242 2.201 1.00 7.37 O ATOM 813 CB ALA A 107 21.129 28.297 4.868 1.00 10.28 C ATOM 814 N TRP A 108 20.481 25.439 3.352 1.00 9.39 N ATOM 815 CA TRP A 108 20.640 24.626 2.156 1.00 12.23 C ATOM 816 C TRP A 108 19.461 23.661 2.088 1.00 10.81 C ATOM 817 O TRP A 108 19.358 22.745 2.888 1.00 11.85 O ATOM 818 CB TRP A 108 21.987 23.886 2.174 1.00 8.99 C ATOM 819 CG TRP A 108 23.172 24.807 1.975 1.00 10.25 C ATOM 820 CD1 TRP A 108 23.706 25.202 0.782 1.00 10.15 C ATOM 821 CD2 TRP A 108 23.935 25.479 2.995 1.00 8.61 C ATOM 822 NE1 TRP A 108 24.744 26.081 0.991 1.00 6.06 N ATOM 823 CE2 TRP A 108 24.910 26.266 2.335 1.00 12.74 C ATOM 824 CE3 TRP A 108 23.887 25.497 4.397 1.00 13.43 C ATOM 825 CZ2 TRP A 108 25.829 27.064 3.032 1.00 7.83 C ATOM 826 CZ3 TRP A 108 24.807 26.298 5.093 1.00 8.84 C ATOM 827 CH2 TRP A 108 25.763 27.066 4.401 1.00 7.80 C ATOM 828 N VAL A 109 18.550 23.893 1.150 1.00 13.15 N ATOM 829 CA VAL A 109 17.365 23.048 0.998 1.00 14.65 C ATOM 830 C VAL A 109 17.691 21.563 0.828 1.00 12.84 C ATOM 831 O VAL A 109 17.123 20.713 1.522 1.00 13.86 O ATOM 832 CB VAL A 109 16.442 23.538 -0.163 1.00 14.94 C ATOM 833 CG1 VAL A 109 17.159 23.448 -1.493 1.00 22.28 C ATOM 834 CG2 VAL A 109 15.148 22.721 -0.203 1.00 14.45 C ATOM 835 N ALA A 110 18.644 21.260 -0.052 1.00 9.59 N ATOM 836 CA ALA A 110 19.052 19.886 -0.316 1.00 11.26 C ATOM 837 C ALA A 110 19.501 19.172 0.950 1.00 12.79 C ATOM 838 O ALA A 110 19.279 17.970 1.102 1.00 13.44 O ATOM 839 CB ALA A 110 20.151 19.851 -1.348 1.00 12.70 C ATOM 840 N TRP A 111 20.152 19.901 1.850 1.00 12.40 N ATOM 841 CA TRP A 111 20.600 19.306 3.096 1.00 11.21 C ATOM 842 C TRP A 111 19.401 19.018 3.986 1.00 15.55 C ATOM 843 O TRP A 111 19.365 17.986 4.647 1.00 13.68 O ATOM 844 CB TRP A 111 21.593 20.214 3.826 1.00 10.91 C ATOM 845 CG TRP A 111 22.021 19.673 5.171 1.00 7.67 C ATOM 846 CD1 TRP A 111 23.051 18.802 5.423 1.00 2.00 C ATOM 847 CD2 TRP A 111 21.423 19.971 6.434 1.00 9.28 C ATOM 848 NE1 TRP A 111 23.130 18.543 6.769 1.00 6.90 N ATOM 849 CE2 TRP A 111 22.148 19.244 7.419 1.00 9.24 C ATOM 850 CE3 TRP A 111 20.351 20.777 6.846 1.00 10.48 C ATOM 851 CZ2 TRP A 111 21.830 19.304 8.781 1.00 7.20 C ATOM 852 CZ3 TRP A 111 20.035 20.838 8.201 1.00 11.08 C ATOM 853 CH2 TRP A 111 20.777 20.104 9.154 1.00 13.79 C ATOM 854 N ARG A 112 18.441 19.941 4.033 1.00 17.36 N ATOM 855 CA ARG A 112 17.238 19.747 4.852 1.00 18.75 C ATOM 856 C ARG A 112 16.547 18.479 4.374 1.00 17.23 C ATOM 857 O ARG A 112 16.253 17.572 5.154 1.00 19.21 O ATOM 858 CB ARG A 112 16.206 20.875 4.649 1.00 18.42 C ATOM 859 CG ARG A 112 16.496 22.261 5.164 1.00 21.01 C ATOM 860 CD ARG A 112 15.226 23.114 4.932 1.00 20.51 C ATOM 861 NE ARG A 112 15.478 24.411 4.298 1.00 26.30 N ATOM 862 CZ ARG A 112 15.007 24.783 3.107 1.00 24.81 C ATOM 863 NH1 ARG A 112 14.239 23.967 2.395 1.00 23.77 N ATOM 864 NH2 ARG A 112 15.316 25.976 2.621 1.00 22.46 N ATOM 865 N ASN A 113 16.281 18.455 3.070 1.00 15.97 N ATOM 866 CA ASN A 113 15.573 17.369 2.417 1.00 15.19 C ATOM 867 C ASN A 113 16.267 16.012 2.336 1.00 17.06 C ATOM 868 O ASN A 113 15.631 14.978 2.549 1.00 19.23 O ATOM 869 CB ASN A 113 15.149 17.800 1.002 1.00 14.66 C ATOM 870 CG ASN A 113 14.192 18.996 0.999 1.00 17.09 C ATOM 871 OD1 ASN A 113 13.712 19.439 2.047 1.00 12.83 O ATOM 872 ND2 ASN A 113 13.904 19.514 -0.190 1.00 10.28 N ATOM 873 N ARG A 114 17.559 16.006 2.023 1.00 15.35 N ATOM 874 CA ARG A 114 18.280 14.751 1.849 1.00 13.65 C ATOM 875 C ARG A 114 19.297 14.312 2.895 1.00 16.27 C ATOM 876 O ARG A 114 19.597 13.123 2.983 1.00 15.73 O ATOM 877 CB ARG A 114 18.978 14.748 0.488 1.00 14.03 C ATOM 878 CG ARG A 114 18.058 14.954 -0.702 1.00 14.91 C ATOM 879 CD ARG A 114 16.975 13.891 -0.744 1.00 22.14 C ATOM 880 NE ARG A 114 17.526 12.542 -0.868 1.00 24.80 N ATOM 881 CZ ARG A 114 17.984 12.021 -2.004 1.00 30.59 C ATOM 882 NH1 ARG A 114 17.957 12.731 -3.126 1.00 27.38 N ATOM 883 NH2 ARG A 114 18.490 10.793 -2.014 1.00 34.53 N ATOM 884 N CYS A 115 19.844 15.245 3.668 1.00 13.84 N ATOM 885 CA CYS A 115 20.876 14.903 4.652 1.00 14.77 C ATOM 886 C CYS A 115 20.448 14.945 6.097 1.00 14.03 C ATOM 887 O CYS A 115 20.859 14.111 6.895 1.00 17.02 O ATOM 888 CB CYS A 115 22.077 15.833 4.496 1.00 14.31 C ATOM 889 SG CYS A 115 22.652 16.002 2.790 1.00 12.83 S ATOM 890 N LYS A 116 19.714 15.986 6.455 1.00 15.42 N ATOM 891 CA LYS A 116 19.248 16.150 7.818 1.00 20.02 C ATOM 892 C LYS A 116 18.595 14.869 8.341 1.00 20.39 C ATOM 893 O LYS A 116 17.660 14.353 7.745 1.00 21.26 O ATOM 894 CB LYS A 116 18.285 17.335 7.900 1.00 20.03 C ATOM 895 CG LYS A 116 17.650 17.496 9.249 1.00 23.99 C ATOM 896 CD LYS A 116 16.763 18.710 9.299 1.00 31.43 C ATOM 897 CE LYS A 116 15.846 18.660 10.521 1.00 40.09 C ATOM 898 NZ LYS A 116 16.523 18.093 11.733 1.00 45.02 N ATOM 899 N GLY A 117 19.151 14.330 9.422 1.00 22.97 N ATOM 900 CA GLY A 117 18.613 13.118 10.018 1.00 26.29 C ATOM 901 C GLY A 117 19.033 11.802 9.378 1.00 28.92 C ATOM 902 O GLY A 117 18.384 10.771 9.567 1.00 32.78 O ATOM 903 N THR A 118 20.119 11.817 8.620 1.00 28.29 N ATOM 904 CA THR A 118 20.592 10.597 7.989 1.00 25.48 C ATOM 905 C THR A 118 22.006 10.318 8.476 1.00 26.05 C ATOM 906 O THR A 118 22.606 11.134 9.186 1.00 25.04 O ATOM 907 CB THR A 118 20.596 10.714 6.456 1.00 20.42 C ATOM 908 OG1 THR A 118 21.631 11.617 6.045 1.00 20.65 O ATOM 909 CG2 THR A 118 19.256 11.201 5.955 1.00 15.79 C ATOM 910 N ASP A 119 22.523 9.144 8.138 1.00 23.49 N ATOM 911 CA ASP A 119 23.877 8.780 8.524 1.00 23.67 C ATOM 912 C ASP A 119 24.831 9.512 7.563 1.00 22.54 C ATOM 913 O ASP A 119 25.306 8.939 6.578 1.00 20.78 O ATOM 914 CB ASP A 119 24.051 7.257 8.435 1.00 22.46 C ATOM 915 CG ASP A 119 25.420 6.787 8.912 1.00 26.49 C ATOM 916 OD1 ASP A 119 25.955 7.350 9.898 1.00 22.48 O ATOM 917 OD2 ASP A 119 25.952 5.837 8.297 1.00 21.20 O ATOM 918 N VAL A 120 25.058 10.798 7.829 1.00 23.96 N ATOM 919 CA VAL A 120 25.930 11.632 6.988 1.00 20.43 C ATOM 920 C VAL A 120 27.405 11.237 7.072 1.00 16.89 C ATOM 921 O VAL A 120 28.215 11.654 6.248 1.00 13.59 O ATOM 922 CB VAL A 120 25.775 13.150 7.313 1.00 23.37 C ATOM 923 CG1 VAL A 120 24.361 13.620 6.983 1.00 22.86 C ATOM 924 CG2 VAL A 120 26.111 13.431 8.781 1.00 17.61 C ATOM 925 N GLN A 121 27.736 10.416 8.063 1.00 12.23 N ATOM 926 CA GLN A 121 29.098 9.944 8.256 1.00 13.18 C ATOM 927 C GLN A 121 29.511 9.010 7.112 1.00 13.47 C ATOM 928 O GLN A 121 30.704 8.811 6.855 1.00 12.01 O ATOM 929 CB GLN A 121 29.207 9.227 9.594 1.00 16.11 C ATOM 930 CG GLN A 121 30.616 8.902 10.005 1.00 20.12 C ATOM 931 CD GLN A 121 30.669 8.398 11.417 1.00 18.30 C ATOM 932 OE1 GLN A 121 31.225 9.056 12.292 1.00 31.69 O ATOM 933 NE2 GLN A 121 30.058 7.245 11.662 1.00 22.29 N ATOM 934 N ALA A 122 28.513 8.446 6.434 1.00 12.21 N ATOM 935 CA ALA A 122 28.731 7.552 5.291 1.00 10.47 C ATOM 936 C ALA A 122 29.489 8.267 4.169 1.00 9.20 C ATOM 937 O ALA A 122 30.199 7.640 3.387 1.00 8.70 O ATOM 938 CB ALA A 122 27.389 7.043 4.766 1.00 10.50 C ATOM 939 N TRP A 123 29.347 9.585 4.099 1.00 10.06 N ATOM 940 CA TRP A 123 30.014 10.377 3.068 1.00 7.17 C ATOM 941 C TRP A 123 31.513 10.511 3.271 1.00 10.42 C ATOM 942 O TRP A 123 32.239 10.881 2.344 1.00 10.11 O ATOM 943 CB TRP A 123 29.385 11.758 2.971 1.00 7.00 C ATOM 944 CG TRP A 123 27.960 11.689 2.585 1.00 8.50 C ATOM 945 CD1 TRP A 123 26.885 11.749 3.419 1.00 6.77 C ATOM 946 CD2 TRP A 123 27.439 11.475 1.272 1.00 7.55 C ATOM 947 NE1 TRP A 123 25.727 11.579 2.707 1.00 12.80 N ATOM 948 CE2 TRP A 123 26.042 11.400 1.383 1.00 7.45 C ATOM 949 CE3 TRP A 123 28.030 11.316 0.010 1.00 4.65 C ATOM 950 CZ2 TRP A 123 25.213 11.191 0.283 1.00 10.64 C ATOM 951 CZ3 TRP A 123 27.205 11.104 -1.084 1.00 11.27 C ATOM 952 CH2 TRP A 123 25.812 11.035 -0.938 1.00 10.74 C ATOM 953 N ILE A 124 31.981 10.255 4.486 1.00 9.25 N ATOM 954 CA ILE A 124 33.412 10.350 4.741 1.00 13.57 C ATOM 955 C ILE A 124 34.073 8.991 4.972 1.00 13.20 C ATOM 956 O ILE A 124 35.286 8.905 5.153 1.00 10.79 O ATOM 957 CB ILE A 124 33.738 11.320 5.904 1.00 15.16 C ATOM 958 CG1 ILE A 124 33.014 10.892 7.181 1.00 22.07 C ATOM 959 CG2 ILE A 124 33.349 12.746 5.516 1.00 12.29 C ATOM 960 CD1 ILE A 124 33.462 11.647 8.429 1.00 27.05 C ATOM 961 N ARG A 125 33.280 7.924 4.958 1.00 14.99 N ATOM 962 CA ARG A 125 33.838 6.585 5.163 1.00 17.61 C ATOM 963 C ARG A 125 34.605 6.083 3.947 1.00 17.42 C ATOM 964 O ARG A 125 34.118 6.133 2.817 1.00 17.64 O ATOM 965 CB ARG A 125 32.753 5.579 5.547 1.00 21.15 C ATOM 966 CG ARG A 125 32.232 5.757 6.965 1.00 22.10 C ATOM 967 CD ARG A 125 31.209 4.697 7.315 1.00 18.09 C ATOM 968 NE ARG A 125 30.398 5.129 8.438 1.00 18.68 N ATOM 969 CZ ARG A 125 29.077 5.237 8.407 1.00 18.20 C ATOM 970 NH1 ARG A 125 28.415 4.940 7.300 1.00 19.19 N ATOM 971 NH2 ARG A 125 28.423 5.662 9.481 1.00 24.23 N ATOM 972 N GLY A 126 35.810 5.591 4.187 1.00 16.91 N ATOM 973 CA GLY A 126 36.618 5.096 3.092 1.00 15.96 C ATOM 974 C GLY A 126 37.612 6.124 2.601 1.00 15.72 C ATOM 975 O GLY A 126 38.327 5.869 1.634 1.00 14.83 O ATOM 976 N CYS A 127 37.655 7.280 3.260 1.00 13.60 N ATOM 977 CA CYS A 127 38.582 8.348 2.887 1.00 18.88 C ATOM 978 C CYS A 127 39.697 8.488 3.922 1.00 22.69 C ATOM 979 O CYS A 127 39.511 8.133 5.080 1.00 24.85 O ATOM 980 CB CYS A 127 37.861 9.697 2.821 1.00 14.05 C ATOM 981 SG CYS A 127 36.299 9.767 1.896 1.00 11.51 S ATOM 982 N ARG A 128 40.855 8.994 3.510 1.00 26.81 N ATOM 983 CA ARG A 128 41.939 9.230 4.457 1.00 32.57 C ATOM 984 C ARG A 128 41.877 10.715 4.809 1.00 35.01 C ATOM 985 O ARG A 128 42.165 11.575 3.971 1.00 36.42 O ATOM 986 CB ARG A 128 43.315 8.847 3.889 1.00 37.39 C ATOM 987 CG ARG A 128 43.424 8.802 2.372 1.00 47.82 C ATOM 988 CD ARG A 128 43.525 7.358 1.875 1.00 52.51 C ATOM 989 NE ARG A 128 43.507 7.267 0.415 1.00 54.19 N ATOM 990 CZ ARG A 128 43.174 6.175 -0.267 1.00 54.41 C ATOM 991 NH1 ARG A 128 42.834 5.062 0.372 1.00 54.49 N ATOM 992 NH2 ARG A 128 43.162 6.202 -1.593 1.00 54.55 N ATOM 993 N LEU A 129 41.426 11.005 6.028 1.00 36.13 N ATOM 994 CA LEU A 129 41.284 12.377 6.522 1.00 35.96 C ATOM 995 C LEU A 129 41.842 12.510 7.941 1.00 37.14 C ATOM 996 O LEU A 129 41.738 11.522 8.698 1.00 42.16 O ATOM 997 CB LEU A 129 39.805 12.766 6.568 1.00 32.69 C ATOM 998 CG LEU A 129 38.884 12.402 5.411 1.00 30.67 C ATOM 999 CD1 LEU A 129 37.448 12.575 5.846 1.00 29.29 C ATOM 1000 CD2 LEU A 129 39.191 13.247 4.202 1.00 27.22 C ATOM 1001 OXT LEU A 129 42.305 13.614 8.302 1.00 35.06 O TER 1002 LEU A 129 HETATM 1003 O HOH A 130 38.067 30.485 -3.601 1.00 7.97 O HETATM 1004 O HOH A 131 20.494 28.456 -2.592 1.00 21.19 O HETATM 1005 O HOH A 132 23.767 40.261 -6.730 1.00 6.70 O HETATM 1006 O HOH A 133 30.752 13.192 9.760 1.00 13.96 O HETATM 1007 O HOH A 134 27.175 17.343 13.494 1.00 5.42 O HETATM 1008 O HOH A 135 20.899 36.041 -11.092 1.00 3.87 O HETATM 1009 O HOH A 136 23.325 10.841 4.200 1.00 10.76 O HETATM 1010 O HOH A 137 16.309 34.078 -2.989 1.00 14.22 O HETATM 1011 O HOH A 138 30.993 29.865 -15.473 1.00 34.84 O HETATM 1012 O HOH A 139 26.893 45.415 -9.729 1.00 24.09 O HETATM 1013 O HOH A 140 35.177 29.304 -3.752 1.00 29.85 O HETATM 1014 O HOH A 141 28.402 42.229 -11.666 1.00 22.95 O HETATM 1015 O HOH A 142 22.381 30.552 -0.448 1.00 18.98 O HETATM 1016 O HOH A 143 36.018 18.261 -14.428 1.00 51.02 O HETATM 1017 O HOH A 144 30.731 42.739 -6.411 1.00 37.86 O HETATM 1018 O HOH A 145 35.759 25.953 -11.530 1.00 13.18 O HETATM 1019 O HOH A 146 40.313 24.054 -2.123 1.00 33.03 O HETATM 1020 O HOH A 147 41.410 18.007 -1.531 1.00 26.33 O HETATM 1021 O HOH A 148 22.697 28.173 0.373 1.00 27.78 O HETATM 1022 O HOH A 149 29.996 3.315 5.033 1.00 60.06 O HETATM 1023 O HOH A 150 24.247 42.746 -4.458 1.00 19.73 O HETATM 1024 O HOH A 151 19.663 25.046 -1.103 1.00 25.45 O HETATM 1025 O HOH A 152 21.932 29.026 16.005 1.00 23.79 O HETATM 1026 O HOH A 153 43.180 19.122 0.782 1.00 12.56 O HETATM 1027 O HOH A 154 34.309 34.248 0.704 1.00 9.96 O HETATM 1028 O HOH A 155 35.626 32.359 -11.317 1.00 31.50 O HETATM 1029 O HOH A 156 23.859 23.222 -12.342 1.00 38.33 O HETATM 1030 O HOH A 157 36.164 39.734 -0.992 1.00 30.29 O HETATM 1031 O HOH A 158 32.431 35.467 2.593 1.00 29.13 O HETATM 1032 O HOH A 159 17.346 26.125 -11.249 1.00 51.05 O HETATM 1033 O HOH A 160 16.248 18.390 -1.994 1.00 34.63 O HETATM 1034 O HOH A 161 37.771 20.437 9.814 1.00 26.29 O HETATM 1035 O HOH A 162 29.212 11.724 -7.358 1.00 28.00 O HETATM 1036 O HOH A 163 22.012 15.749 10.033 1.00 33.02 O HETATM 1037 O HOH A 164 29.316 27.547 -3.419 1.00 11.68 O HETATM 1038 O HOH A 165 28.586 17.312 -12.425 1.00 39.83 O HETATM 1039 O HOH A 166 40.548 7.640 0.212 1.00 44.41 O HETATM 1040 O HOH A 167 18.278 35.101 11.192 1.00 47.99 O HETATM 1041 O HOH A 168 42.252 17.161 5.111 1.00 28.23 O HETATM 1042 O HOH A 169 20.214 23.996 -4.982 1.00 67.39 O HETATM 1043 O HOH A 170 30.435 44.732 -10.531 1.00 27.40 O HETATM 1044 O HOH A 171 32.260 12.972 -8.030 1.00 18.18 O HETATM 1045 O HOH A 172 29.707 37.747 -10.115 1.00 20.15 O HETATM 1046 O HOH A 173 33.279 21.768 -13.346 1.00 40.28 O HETATM 1047 O HOH A 174 37.050 14.090 10.281 1.00 49.58 O HETATM 1048 O HOH A 175 33.091 15.011 13.519 1.00 45.57 O HETATM 1049 O HOH A 176 29.495 14.011 -9.060 1.00 37.81 O HETATM 1050 O HOH A 177 18.282 8.245 7.549 1.00 43.22 O HETATM 1051 O HOH A 178 20.755 7.219 6.823 1.00 50.84 O HETATM 1052 O HOH A 179 36.852 38.892 -3.860 1.00 44.60 O HETATM 1053 O HOH A 180 34.532 27.142 -5.032 1.00 30.84 O HETATM 1054 O HOH A 181 30.128 40.974 -9.476 1.00 35.84 O HETATM 1055 O HOH A 182 34.874 30.112 -13.334 1.00 35.21 O HETATM 1056 O HOH A 183 25.416 15.221 12.072 1.00 35.94 O HETATM 1057 O HOH A 184 19.868 31.398 1.972 1.00 29.72 O HETATM 1058 O HOH A 185 36.328 36.681 7.166 1.00 37.03 O HETATM 1059 O HOH A 186 44.459 18.125 3.086 1.00 53.33 O HETATM 1060 O HOH A 187 32.104 26.385 -6.101 1.00 16.04 O HETATM 1061 O HOH A 188 9.607 34.296 -6.662 1.00 23.67 O HETATM 1062 O HOH A 189 15.179 28.865 3.207 1.00 59.43 O HETATM 1063 O HOH A 190 23.578 45.488 -6.248 1.00 59.72 O HETATM 1064 O HOH A 191 36.642 28.163 11.506 1.00 50.09 O HETATM 1065 O HOH A 192 14.812 45.529 4.665 1.00 54.25 O HETATM 1066 O HOH A 193 21.788 45.611 -11.145 1.00 17.09 O HETATM 1067 O HOH A 194 15.290 40.496 -5.548 1.00 46.04 O CONECT 48 981 CONECT 238 889 CONECT 513 630 CONECT 601 724 CONECT 630 513 CONECT 724 601 CONECT 889 238 CONECT 981 48 MASTER 218 0 0 8 2 0 0 6 1066 1 8 10 END