HEADER HYDROLASE (NUCLEIC ACID, RNA) 21-JUL-95 1RBX TITLE RIBONUCLEASE A (E.C.3.1.27.5) CONTROL COMPND MOL_ID: 1; COMPND 2 MOLECULE: RIBONUCLEASE A; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: RNASE A; COMPND 5 EC: 3.1.27.5 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913; SOURCE 5 ORGAN: PANCREAS KEYWDS HYDROLASE (NUCLEIC ACID, RNA) EXPDTA X-RAY DIFFRACTION AUTHOR J.L.H.DUNBAR,G.K.FARBER REVDAT 2 24-FEB-09 1RBX 1 VERSN REVDAT 1 15-OCT-95 1RBX 0 JRNL AUTH J.DUNBAR,H.P.YENNAWAR,S.BANERJEE,J.LUO,G.K.FARBER JRNL TITL THE EFFECT OF DENATURANTS ON PROTEIN STRUCTURE. JRNL REF PROTEIN SCI. V. 6 1727 1997 JRNL REFN ISSN 0961-8368 JRNL PMID 9260285 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.69 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) : 1.69 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 81.3 REMARK 3 NUMBER OF REFLECTIONS : 11626 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) : 0.182 REMARK 3 FREE R VALUE : 0.198 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 : 956 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 88 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 15.44 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) : 0.011 REMARK 3 BOND ANGLES (DEGREES) : 1.81 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.47 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.35 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 1RBX 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 : 02-AUG-94 REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : DIFFRACTOMETER REMARK 200 DETECTOR MANUFACTURER : RIGAKU AFC-5R REMARK 200 INTENSITY-INTEGRATION SOFTWARE : TEXSAN REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 11626 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.690 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 4.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.0 REMARK 200 DATA REDUNDANCY : 1.000 REMARK 200 R MERGE (I) : 0.05500 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 3.1 REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 43.29 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 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 19.19700 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 HIS A 48 66.22 -100.82 REMARK 500 GLN A 60 -144.21 -103.72 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 143 DISTANCE = 5.03 ANGSTROMS REMARK 525 HOH A 149 DISTANCE = 5.10 ANGSTROMS REMARK 525 HOH A 193 DISTANCE = 6.14 ANGSTROMS REMARK 525 HOH A 219 DISTANCE = 5.62 ANGSTROMS REMARK 525 HOH A 220 DISTANCE = 6.82 ANGSTROMS REMARK 525 HOH A 223 DISTANCE = 7.91 ANGSTROMS DBREF 1RBX A 1 124 UNP P61823 RNAS1_BOVIN 27 150 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL FORMUL 2 HOH *88(H2 O) HELIX 1 1 ALA A 4 HIS A 12 1 9 HELIX 2 2 TYR A 25 SER A 32 1 8 HELIX 3 3 LEU A 51 SER A 59 1 9 SHEET 1 A 3 VAL A 43 VAL A 47 0 SHEET 2 A 3 MET A 79 GLU A 86 -1 N CYS A 84 O ASN A 44 SHEET 3 A 3 TYR A 97 LYS A 104 -1 N LYS A 104 O MET A 79 SHEET 1 B 4 LYS A 61 VAL A 63 0 SHEET 2 B 4 CYS A 72 GLN A 74 -1 N GLN A 74 O LYS A 61 SHEET 3 B 4 ILE A 106 ALA A 109 -1 N VAL A 108 O TYR A 73 SHEET 4 B 4 HIS A 119 SER A 123 -1 N ALA A 122 O ILE A 107 SSBOND 1 CYS A 26 CYS A 84 1555 1555 2.03 SSBOND 2 CYS A 40 CYS A 95 1555 1555 2.02 SSBOND 3 CYS A 58 CYS A 110 1555 1555 2.02 SSBOND 4 CYS A 65 CYS A 72 1555 1555 2.02 CISPEP 1 TYR A 92 PRO A 93 0 0.12 CISPEP 2 ASN A 113 PRO A 114 0 -0.03 CRYST1 30.224 38.394 53.291 90.00 105.87 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 0.033086 0.000000 0.009406 0.00000 SCALE2 0.000000 0.026046 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019508 0.00000 ATOM 1 N LYS A 1 16.979 26.750 -1.970 1.00 25.52 N ATOM 2 CA LYS A 1 17.316 25.444 -1.315 1.00 24.09 C ATOM 3 C LYS A 1 18.239 25.674 -0.108 1.00 19.73 C ATOM 4 O LYS A 1 18.805 26.752 0.035 1.00 19.78 O ATOM 5 CB LYS A 1 17.963 24.514 -2.326 1.00 26.62 C ATOM 6 CG LYS A 1 17.308 24.576 -3.701 1.00 32.88 C ATOM 7 CD LYS A 1 17.927 23.574 -4.677 1.00 36.21 C ATOM 8 CE LYS A 1 19.461 23.639 -4.725 1.00 39.05 C ATOM 9 NZ LYS A 1 20.142 22.928 -3.582 1.00 39.63 N ATOM 10 N GLU A 2 18.364 24.674 0.761 1.00 16.30 N ATOM 11 CA GLU A 2 19.187 24.784 1.973 1.00 13.89 C ATOM 12 C GLU A 2 20.616 25.246 1.729 1.00 11.30 C ATOM 13 O GLU A 2 21.288 24.735 0.848 1.00 12.82 O ATOM 14 CB GLU A 2 19.201 23.447 2.694 1.00 13.95 C ATOM 15 CG GLU A 2 19.931 23.448 3.999 1.00 13.01 C ATOM 16 CD GLU A 2 19.894 22.093 4.633 1.00 12.15 C ATOM 17 OE1 GLU A 2 20.080 21.105 3.902 1.00 13.45 O ATOM 18 OE2 GLU A 2 19.677 22.007 5.859 1.00 14.23 O ATOM 19 N THR A 3 21.075 26.214 2.498 1.00 11.23 N ATOM 20 CA THR A 3 22.441 26.714 2.340 1.00 13.34 C ATOM 21 C THR A 3 23.481 25.784 2.994 1.00 11.91 C ATOM 22 O THR A 3 23.159 25.007 3.891 1.00 11.05 O ATOM 23 CB THR A 3 22.606 28.151 2.903 1.00 13.75 C ATOM 24 OG1 THR A 3 22.515 28.112 4.333 1.00 15.23 O ATOM 25 CG2 THR A 3 21.512 29.085 2.338 1.00 15.43 C ATOM 26 N ALA A 4 24.733 25.900 2.562 1.00 11.70 N ATOM 27 CA ALA A 4 25.802 25.080 3.120 1.00 11.78 C ATOM 28 C ALA A 4 25.903 25.343 4.639 1.00 11.69 C ATOM 29 O ALA A 4 26.023 24.418 5.432 1.00 11.62 O ATOM 30 CB ALA A 4 27.111 25.395 2.410 1.00 11.62 C ATOM 31 N ALA A 5 25.755 26.602 5.028 1.00 10.48 N ATOM 32 CA ALA A 5 25.797 26.993 6.434 1.00 11.33 C ATOM 33 C ALA A 5 24.668 26.338 7.230 1.00 11.93 C ATOM 34 O ALA A 5 24.898 25.831 8.326 1.00 11.14 O ATOM 35 CB ALA A 5 25.710 28.488 6.557 1.00 10.48 C ATOM 36 N ALA A 6 23.456 26.346 6.672 1.00 11.23 N ATOM 37 CA ALA A 6 22.285 25.751 7.327 1.00 10.92 C ATOM 38 C ALA A 6 22.441 24.234 7.391 1.00 10.41 C ATOM 39 O ALA A 6 22.078 23.606 8.391 1.00 9.88 O ATOM 40 CB ALA A 6 21.008 26.117 6.576 1.00 11.12 C ATOM 41 N LYS A 7 22.979 23.649 6.326 1.00 9.39 N ATOM 42 CA LYS A 7 23.213 22.215 6.286 1.00 10.80 C ATOM 43 C LYS A 7 24.196 21.846 7.426 1.00 11.51 C ATOM 44 O LYS A 7 24.005 20.832 8.121 1.00 9.98 O ATOM 45 CB LYS A 7 23.798 21.810 4.928 1.00 11.49 C ATOM 46 CG LYS A 7 24.056 20.322 4.784 1.00 14.13 C ATOM 47 CD LYS A 7 25.112 20.053 3.716 1.00 22.50 C ATOM 48 CE LYS A 7 26.575 20.355 4.195 1.00 27.24 C ATOM 49 NZ LYS A 7 26.969 21.796 4.472 1.00 25.53 N ATOM 50 N PHE A 8 25.233 22.672 7.622 1.00 10.58 N ATOM 51 CA PHE A 8 26.216 22.430 8.684 1.00 10.21 C ATOM 52 C PHE A 8 25.521 22.403 10.051 1.00 11.35 C ATOM 53 O PHE A 8 25.823 21.558 10.899 1.00 10.03 O ATOM 54 CB PHE A 8 27.289 23.513 8.710 1.00 10.13 C ATOM 55 CG PHE A 8 28.307 23.312 9.795 1.00 10.09 C ATOM 56 CD1 PHE A 8 29.444 22.541 9.562 1.00 10.97 C ATOM 57 CD2 PHE A 8 28.105 23.850 11.070 1.00 10.73 C ATOM 58 CE1 PHE A 8 30.373 22.308 10.591 1.00 12.60 C ATOM 59 CE2 PHE A 8 29.022 23.625 12.108 1.00 10.85 C ATOM 60 CZ PHE A 8 30.153 22.857 11.873 1.00 10.58 C ATOM 61 N GLU A 9 24.637 23.369 10.278 1.00 9.82 N ATOM 62 CA GLU A 9 23.897 23.430 11.530 1.00 12.14 C ATOM 63 C GLU A 9 23.043 22.185 11.756 1.00 10.47 C ATOM 64 O GLU A 9 23.025 21.625 12.849 1.00 9.38 O ATOM 65 CB GLU A 9 23.007 24.671 11.576 1.00 14.39 C ATOM 66 CG GLU A 9 23.775 25.964 11.776 1.00 19.87 C ATOM 67 CD GLU A 9 22.868 27.178 11.903 1.00 22.47 C ATOM 68 OE1 GLU A 9 21.808 27.065 12.573 1.00 22.72 O ATOM 69 OE2 GLU A 9 23.232 28.236 11.329 1.00 22.33 O ATOM 70 N ARG A 10 22.331 21.764 10.717 1.00 9.38 N ATOM 71 CA ARG A 10 21.464 20.586 10.805 1.00 9.79 C ATOM 72 C ARG A 10 22.253 19.289 11.002 1.00 8.90 C ATOM 73 O ARG A 10 21.870 18.425 11.783 1.00 9.07 O ATOM 74 CB ARG A 10 20.583 20.483 9.545 1.00 8.04 C ATOM 75 CG ARG A 10 19.668 19.280 9.505 1.00 7.69 C ATOM 76 CD ARG A 10 18.687 19.364 8.330 1.00 8.81 C ATOM 77 NE ARG A 10 19.378 19.435 7.047 1.00 7.43 N ATOM 78 CZ ARG A 10 19.864 18.386 6.390 1.00 8.17 C ATOM 79 NH1 ARG A 10 19.729 17.152 6.866 1.00 11.18 N ATOM 80 NH2 ARG A 10 20.479 18.557 5.235 1.00 11.71 N ATOM 81 N GLN A 11 23.350 19.132 10.276 1.00 9.51 N ATOM 82 CA GLN A 11 24.116 17.912 10.402 1.00 11.76 C ATOM 83 C GLN A 11 25.039 17.813 11.610 1.00 10.92 C ATOM 84 O GLN A 11 25.341 16.710 12.051 1.00 11.00 O ATOM 85 CB GLN A 11 24.984 17.696 9.172 1.00 13.62 C ATOM 86 CG GLN A 11 24.242 17.465 7.907 1.00 21.36 C ATOM 87 CD GLN A 11 25.159 16.989 6.781 1.00 24.31 C ATOM 88 OE1 GLN A 11 26.396 16.952 6.919 1.00 23.54 O ATOM 89 NE2 GLN A 11 24.552 16.617 5.662 1.00 26.57 N ATOM 90 N HIS A 12 25.491 18.941 12.141 1.00 9.40 N ATOM 91 CA HIS A 12 26.489 18.882 13.203 1.00 10.78 C ATOM 92 C HIS A 12 26.265 19.594 14.509 1.00 10.30 C ATOM 93 O HIS A 12 27.017 19.355 15.442 1.00 12.89 O ATOM 94 CB HIS A 12 27.845 19.379 12.671 1.00 7.98 C ATOM 95 CG HIS A 12 28.289 18.690 11.417 1.00 11.03 C ATOM 96 ND1 HIS A 12 28.733 17.383 11.401 1.00 9.92 N ATOM 97 CD2 HIS A 12 28.371 19.133 10.139 1.00 11.08 C ATOM 98 CE1 HIS A 12 29.063 17.047 10.163 1.00 11.30 C ATOM 99 NE2 HIS A 12 28.849 18.093 9.380 1.00 12.11 N ATOM 100 N MET A 13 25.306 20.505 14.578 1.00 9.54 N ATOM 101 CA MET A 13 25.114 21.250 15.812 1.00 10.08 C ATOM 102 C MET A 13 24.068 20.695 16.745 1.00 9.33 C ATOM 103 O MET A 13 22.987 20.330 16.311 1.00 9.36 O ATOM 104 CB MET A 13 24.787 22.723 15.508 1.00 9.17 C ATOM 105 CG MET A 13 25.942 23.539 14.899 1.00 12.22 C ATOM 106 SD MET A 13 27.476 23.559 15.889 1.00 13.48 S ATOM 107 CE MET A 13 26.853 24.282 17.459 1.00 13.53 C ATOM 108 N ASP A 14 24.424 20.546 18.019 1.00 10.58 N ATOM 109 CA ASP A 14 23.441 20.148 19.015 1.00 12.10 C ATOM 110 C ASP A 14 23.714 20.922 20.306 1.00 12.20 C ATOM 111 O ASP A 14 24.260 20.401 21.282 1.00 11.14 O ATOM 112 CB ASP A 14 23.357 18.642 19.278 1.00 13.03 C ATOM 113 CG ASP A 14 22.211 18.307 20.245 1.00 14.18 C ATOM 114 OD1 ASP A 14 21.348 19.183 20.496 1.00 13.50 O ATOM 115 OD2 ASP A 14 22.172 17.181 20.768 1.00 15.65 O ATOM 116 N SER A 15 23.285 22.170 20.291 1.00 11.70 N ATOM 117 CA SER A 15 23.466 23.082 21.403 1.00 13.99 C ATOM 118 C SER A 15 22.523 22.807 22.563 1.00 14.21 C ATOM 119 O SER A 15 22.731 23.321 23.657 1.00 16.53 O ATOM 120 CB SER A 15 23.277 24.516 20.901 1.00 13.22 C ATOM 121 OG SER A 15 24.210 24.805 19.866 1.00 18.17 O ATOM 122 N SER A 16 21.477 22.020 22.332 1.00 14.73 N ATOM 123 CA SER A 16 20.499 21.738 23.385 1.00 15.87 C ATOM 124 C SER A 16 20.936 20.667 24.383 1.00 14.93 C ATOM 125 O SER A 16 20.192 20.343 25.316 1.00 16.13 O ATOM 126 CB SER A 16 19.138 21.371 22.796 1.00 16.26 C ATOM 127 OG SER A 16 19.096 20.006 22.426 1.00 23.08 O ATOM 128 N THR A 17 22.106 20.072 24.172 1.00 14.40 N ATOM 129 CA THR A 17 22.608 19.074 25.101 1.00 14.54 C ATOM 130 C THR A 17 24.115 19.255 25.262 1.00 13.09 C ATOM 131 O THR A 17 24.795 19.699 24.344 1.00 12.09 O ATOM 132 CB THR A 17 22.271 17.599 24.682 1.00 16.26 C ATOM 133 OG1 THR A 17 23.030 17.217 23.520 1.00 17.05 O ATOM 134 CG2 THR A 17 20.763 17.415 24.438 1.00 18.02 C ATOM 135 N SER A 18 24.607 18.945 26.459 1.00 14.52 N ATOM 136 CA SER A 18 26.024 19.053 26.797 1.00 15.86 C ATOM 137 C SER A 18 26.834 17.845 26.350 1.00 14.09 C ATOM 138 O SER A 18 28.037 17.944 26.152 1.00 13.53 O ATOM 139 CB SER A 18 26.197 19.265 28.301 1.00 17.79 C ATOM 140 OG SER A 18 25.458 20.412 28.707 1.00 26.07 O ATOM 141 N ALA A 19 26.174 16.705 26.196 1.00 14.01 N ATOM 142 CA ALA A 19 26.823 15.480 25.749 1.00 14.61 C ATOM 143 C ALA A 19 25.726 14.464 25.426 1.00 15.41 C ATOM 144 O ALA A 19 24.556 14.689 25.747 1.00 16.34 O ATOM 145 CB ALA A 19 27.727 14.933 26.836 1.00 14.56 C ATOM 146 N ALA A 20 26.094 13.374 24.764 1.00 13.07 N ATOM 147 CA ALA A 20 25.141 12.317 24.444 1.00 14.81 C ATOM 148 C ALA A 20 24.778 11.648 25.785 1.00 15.96 C ATOM 149 O ALA A 20 25.663 11.314 26.578 1.00 16.77 O ATOM 150 CB ALA A 20 25.783 11.308 23.510 1.00 13.57 C ATOM 151 N SER A 21 23.492 11.418 26.016 1.00 17.05 N ATOM 152 CA SER A 21 23.050 10.828 27.292 1.00 20.18 C ATOM 153 C SER A 21 22.904 9.303 27.367 1.00 19.18 C ATOM 154 O SER A 21 22.971 8.723 28.469 1.00 18.83 O ATOM 155 CB SER A 21 21.745 11.494 27.754 1.00 21.32 C ATOM 156 OG SER A 21 20.724 11.347 26.776 1.00 27.32 O ATOM 157 N SER A 22 22.658 8.662 26.225 1.00 15.88 N ATOM 158 CA SER A 22 22.497 7.215 26.176 1.00 14.84 C ATOM 159 C SER A 22 23.132 6.701 24.892 1.00 13.90 C ATOM 160 O SER A 22 23.536 7.494 24.031 1.00 13.57 O ATOM 161 CB SER A 22 21.010 6.833 26.224 1.00 16.20 C ATOM 162 OG SER A 22 20.314 7.172 25.026 1.00 18.71 O ATOM 163 N SER A 23 23.215 5.381 24.756 1.00 12.52 N ATOM 164 CA SER A 23 23.786 4.779 23.552 1.00 12.82 C ATOM 165 C SER A 23 22.896 4.984 22.316 1.00 11.97 C ATOM 166 O SER A 23 23.298 4.656 21.211 1.00 12.89 O ATOM 167 CB SER A 23 24.000 3.287 23.770 1.00 12.48 C ATOM 168 OG SER A 23 22.810 2.677 24.237 1.00 16.25 O ATOM 169 N ASN A 24 21.667 5.455 22.530 1.00 12.35 N ATOM 170 CA ASN A 24 20.719 5.690 21.444 1.00 14.29 C ATOM 171 C ASN A 24 20.745 7.082 20.872 1.00 11.98 C ATOM 172 O ASN A 24 20.002 7.379 19.947 1.00 12.42 O ATOM 173 CB ASN A 24 19.290 5.361 21.876 1.00 17.20 C ATOM 174 CG ASN A 24 18.996 3.884 21.782 1.00 22.19 C ATOM 175 OD1 ASN A 24 19.088 3.291 20.703 1.00 25.47 O ATOM 176 ND2 ASN A 24 18.692 3.267 22.914 1.00 25.28 N ATOM 177 N TYR A 25 21.599 7.936 21.416 1.00 11.75 N ATOM 178 CA TYR A 25 21.691 9.312 20.949 1.00 10.78 C ATOM 179 C TYR A 25 21.890 9.399 19.428 1.00 10.34 C ATOM 180 O TYR A 25 21.133 10.090 18.736 1.00 8.38 O ATOM 181 CB TYR A 25 22.823 10.038 21.669 1.00 9.07 C ATOM 182 CG TYR A 25 23.059 11.445 21.183 1.00 10.31 C ATOM 183 CD1 TYR A 25 22.339 12.533 21.715 1.00 10.28 C ATOM 184 CD2 TYR A 25 23.996 11.696 20.169 1.00 10.59 C ATOM 185 CE1 TYR A 25 22.544 13.825 21.246 1.00 9.71 C ATOM 186 CE2 TYR A 25 24.208 12.976 19.695 1.00 11.42 C ATOM 187 CZ TYR A 25 23.483 14.037 20.231 1.00 9.63 C ATOM 188 OH TYR A 25 23.714 15.291 19.733 1.00 12.44 O ATOM 189 N CYS A 26 22.892 8.690 18.912 1.00 9.20 N ATOM 190 CA CYS A 26 23.172 8.722 17.475 1.00 10.50 C ATOM 191 C CYS A 26 21.989 8.210 16.647 1.00 11.06 C ATOM 192 O CYS A 26 21.532 8.892 15.727 1.00 10.27 O ATOM 193 CB CYS A 26 24.463 7.977 17.150 1.00 8.97 C ATOM 194 SG CYS A 26 25.935 8.902 17.682 1.00 10.28 S ATOM 195 N ASN A 27 21.407 7.084 17.050 1.00 11.43 N ATOM 196 CA ASN A 27 20.261 6.548 16.333 1.00 11.56 C ATOM 197 C ASN A 27 19.138 7.585 16.208 1.00 13.40 C ATOM 198 O ASN A 27 18.608 7.818 15.106 1.00 13.52 O ATOM 199 CB ASN A 27 19.766 5.268 17.012 1.00 13.19 C ATOM 200 CG ASN A 27 20.694 4.081 16.755 1.00 14.05 C ATOM 201 OD1 ASN A 27 21.537 4.132 15.867 1.00 14.01 O ATOM 202 ND2 ASN A 27 20.562 3.032 17.561 1.00 16.66 N ATOM 203 N GLN A 28 18.804 8.240 17.316 1.00 12.36 N ATOM 204 CA GLN A 28 17.756 9.250 17.295 1.00 14.63 C ATOM 205 C GLN A 28 18.139 10.452 16.456 1.00 13.48 C ATOM 206 O GLN A 28 17.387 10.868 15.575 1.00 13.39 O ATOM 207 CB GLN A 28 17.437 9.776 18.695 1.00 16.81 C ATOM 208 CG GLN A 28 16.288 9.113 19.368 1.00 25.36 C ATOM 209 CD GLN A 28 16.752 7.975 20.238 1.00 30.56 C ATOM 210 OE1 GLN A 28 17.166 8.188 21.395 1.00 32.16 O ATOM 211 NE2 GLN A 28 16.728 6.751 19.683 1.00 33.33 N ATOM 212 N MET A 29 19.309 11.011 16.746 1.00 11.24 N ATOM 213 CA MET A 29 19.763 12.208 16.068 1.00 11.36 C ATOM 214 C MET A 29 19.979 12.085 14.575 1.00 11.64 C ATOM 215 O MET A 29 19.592 12.984 13.813 1.00 11.36 O ATOM 216 CB MET A 29 20.997 12.769 16.755 1.00 12.98 C ATOM 217 CG MET A 29 20.712 13.287 18.165 1.00 15.01 C ATOM 218 SD MET A 29 19.579 14.699 18.206 1.00 17.85 S ATOM 219 CE MET A 29 20.684 15.928 17.563 1.00 16.09 C ATOM 220 N MET A 30 20.567 10.972 14.147 1.00 12.23 N ATOM 221 CA MET A 30 20.810 10.756 12.722 1.00 12.93 C ATOM 222 C MET A 30 19.475 10.757 11.987 1.00 13.79 C ATOM 223 O MET A 30 19.320 11.412 10.957 1.00 11.92 O ATOM 224 CB MET A 30 21.576 9.449 12.491 1.00 11.10 C ATOM 225 CG MET A 30 23.037 9.510 12.982 1.00 11.38 C ATOM 226 SD MET A 30 24.086 10.773 12.191 1.00 11.19 S ATOM 227 CE MET A 30 24.424 9.933 10.618 1.00 6.84 C ATOM 228 N LYS A 31 18.488 10.131 12.613 1.00 13.43 N ATOM 229 CA LYS A 31 17.157 10.049 12.053 1.00 15.06 C ATOM 230 C LYS A 31 16.453 11.411 12.083 1.00 14.51 C ATOM 231 O LYS A 31 15.996 11.898 11.034 1.00 14.15 O ATOM 232 CB LYS A 31 16.337 8.997 12.807 1.00 15.78 C ATOM 233 CG LYS A 31 15.249 8.332 11.968 1.00 21.78 C ATOM 234 CD LYS A 31 14.601 7.127 12.712 1.00 28.52 C ATOM 235 CE LYS A 31 15.594 5.961 13.031 1.00 31.07 C ATOM 236 NZ LYS A 31 15.938 5.006 11.905 1.00 35.05 N ATOM 237 N SER A 32 16.421 12.052 13.251 1.00 12.14 N ATOM 238 CA SER A 32 15.745 13.334 13.402 1.00 12.14 C ATOM 239 C SER A 32 16.284 14.444 12.534 1.00 11.90 C ATOM 240 O SER A 32 15.532 15.339 12.112 1.00 13.30 O ATOM 241 CB SER A 32 15.741 13.802 14.870 1.00 12.38 C ATOM 242 OG ASER A 32 17.049 14.114 15.318 0.50 10.89 O ATOM 243 OG BSER A 32 14.972 12.920 15.671 0.50 15.71 O ATOM 244 N ARG A 33 17.586 14.406 12.293 1.00 12.07 N ATOM 245 CA ARG A 33 18.234 15.434 11.480 1.00 13.89 C ATOM 246 C ARG A 33 18.162 15.169 9.992 1.00 13.90 C ATOM 247 O ARG A 33 18.744 15.923 9.201 1.00 14.21 O ATOM 248 CB ARG A 33 19.688 15.661 11.919 1.00 11.95 C ATOM 249 CG ARG A 33 19.799 16.271 13.310 1.00 10.54 C ATOM 250 CD ARG A 33 19.049 17.580 13.421 1.00 11.92 C ATOM 251 NE ARG A 33 19.138 18.146 14.764 1.00 13.61 N ATOM 252 CZ ARG A 33 20.186 18.827 15.226 1.00 13.34 C ATOM 253 NH1 ARG A 33 21.243 19.047 14.456 1.00 11.49 N ATOM 254 NH2 ARG A 33 20.188 19.278 16.474 1.00 13.11 N ATOM 255 N ASN A 34 17.456 14.099 9.621 1.00 14.01 N ATOM 256 CA ASN A 34 17.288 13.735 8.219 1.00 15.53 C ATOM 257 C ASN A 34 18.547 13.272 7.500 1.00 15.25 C ATOM 258 O ASN A 34 18.627 13.347 6.274 1.00 15.75 O ATOM 259 CB ASN A 34 16.711 14.913 7.469 1.00 17.04 C ATOM 260 CG ASN A 34 15.304 14.716 7.128 1.00 24.34 C ATOM 261 OD1 ASN A 34 14.438 14.558 8.008 1.00 25.61 O ATOM 262 ND2 ASN A 34 15.037 14.683 5.822 1.00 27.68 N ATOM 263 N LEU A 35 19.515 12.749 8.241 1.00 14.36 N ATOM 264 CA LEU A 35 20.764 12.285 7.636 1.00 15.96 C ATOM 265 C LEU A 35 20.705 10.827 7.117 1.00 15.68 C ATOM 266 O LEU A 35 21.639 10.358 6.467 1.00 16.38 O ATOM 267 CB LEU A 35 21.899 12.450 8.652 1.00 15.36 C ATOM 268 CG LEU A 35 21.900 13.803 9.379 1.00 15.77 C ATOM 269 CD1 LEU A 35 23.034 13.839 10.395 1.00 15.86 C ATOM 270 CD2 LEU A 35 22.037 14.929 8.377 1.00 15.80 C ATOM 271 N THR A 36 19.607 10.130 7.408 1.00 14.19 N ATOM 272 CA THR A 36 19.412 8.728 7.010 1.00 16.99 C ATOM 273 C THR A 36 18.222 8.548 6.052 1.00 17.84 C ATOM 274 O THR A 36 17.724 7.428 5.830 1.00 17.97 O ATOM 275 CB THR A 36 19.135 7.859 8.259 1.00 16.45 C ATOM 276 OG1 THR A 36 17.882 8.251 8.836 1.00 17.85 O ATOM 277 CG2 THR A 36 20.250 8.041 9.296 1.00 17.13 C ATOM 278 N LYS A 37 17.804 9.650 5.452 1.00 19.26 N ATOM 279 CA LYS A 37 16.642 9.643 4.576 1.00 21.87 C ATOM 280 C LYS A 37 16.819 8.962 3.218 1.00 19.92 C ATOM 281 O LYS A 37 15.894 8.287 2.736 1.00 21.98 O ATOM 282 CB LYS A 37 16.082 11.068 4.462 1.00 23.79 C ATOM 283 CG LYS A 37 15.264 11.491 5.723 1.00 31.28 C ATOM 284 CD LYS A 37 15.858 10.949 7.079 1.00 33.21 C ATOM 285 CE LYS A 37 15.024 11.292 8.322 1.00 35.37 C ATOM 286 NZ LYS A 37 13.860 10.396 8.595 1.00 35.48 N ATOM 287 N ASP A 38 17.991 9.115 2.615 1.00 18.30 N ATOM 288 CA ASP A 38 18.261 8.488 1.319 1.00 17.46 C ATOM 289 C ASP A 38 19.179 7.280 1.424 1.00 15.68 C ATOM 290 O ASP A 38 19.165 6.393 0.566 1.00 14.43 O ATOM 291 CB ASP A 38 18.867 9.496 0.351 1.00 20.86 C ATOM 292 CG ASP A 38 17.925 10.638 0.046 1.00 25.26 C ATOM 293 OD1 ASP A 38 16.784 10.376 -0.413 1.00 28.87 O ATOM 294 OD2 ASP A 38 18.326 11.797 0.281 1.00 28.23 O ATOM 295 N ARG A 39 19.990 7.270 2.472 1.00 13.31 N ATOM 296 CA ARG A 39 20.941 6.209 2.715 1.00 13.25 C ATOM 297 C ARG A 39 21.459 6.402 4.150 1.00 11.65 C ATOM 298 O ARG A 39 21.211 7.443 4.772 1.00 10.25 O ATOM 299 CB ARG A 39 22.112 6.367 1.748 1.00 15.82 C ATOM 300 CG ARG A 39 22.916 7.637 2.042 1.00 20.57 C ATOM 301 CD ARG A 39 23.728 8.100 0.853 1.00 27.07 C ATOM 302 NE ARG A 39 24.603 9.214 1.212 1.00 30.67 N ATOM 303 CZ ARG A 39 25.717 9.084 1.926 1.00 32.37 C ATOM 304 NH1 ARG A 39 26.105 7.887 2.361 1.00 33.23 N ATOM 305 NH2 ARG A 39 26.441 10.156 2.217 1.00 34.40 N ATOM 306 N CYS A 40 22.143 5.397 4.675 1.00 10.77 N ATOM 307 CA CYS A 40 22.715 5.507 6.004 1.00 12.77 C ATOM 308 C CYS A 40 24.049 6.199 5.863 1.00 12.95 C ATOM 309 O CYS A 40 24.941 5.689 5.197 1.00 15.10 O ATOM 310 CB CYS A 40 22.952 4.143 6.627 1.00 12.40 C ATOM 311 SG CYS A 40 21.484 3.091 6.769 1.00 12.67 S ATOM 312 N LYS A 41 24.152 7.409 6.407 1.00 16.18 N ATOM 313 CA LYS A 41 25.411 8.143 6.386 1.00 17.10 C ATOM 314 C LYS A 41 26.293 7.356 7.360 1.00 17.05 C ATOM 315 O LYS A 41 25.918 7.149 8.501 1.00 17.43 O ATOM 316 CB LYS A 41 25.191 9.572 6.847 1.00 20.15 C ATOM 317 CG LYS A 41 26.447 10.388 6.859 1.00 24.05 C ATOM 318 CD LYS A 41 26.172 11.780 6.335 1.00 27.41 C ATOM 319 CE LYS A 41 27.365 12.679 6.566 1.00 27.88 C ATOM 320 NZ LYS A 41 27.531 12.978 8.014 1.00 29.72 N ATOM 321 N PRO A 42 27.471 6.905 6.913 1.00 16.81 N ATOM 322 CA PRO A 42 28.438 6.118 7.687 1.00 17.50 C ATOM 323 C PRO A 42 28.951 6.682 9.012 1.00 14.80 C ATOM 324 O PRO A 42 29.048 5.967 10.006 1.00 13.80 O ATOM 325 CB PRO A 42 29.595 5.914 6.697 1.00 17.67 C ATOM 326 CG PRO A 42 28.942 6.036 5.367 1.00 20.36 C ATOM 327 CD PRO A 42 28.015 7.205 5.575 1.00 19.05 C ATOM 328 N VAL A 43 29.350 7.940 8.986 1.00 14.02 N ATOM 329 CA VAL A 43 29.890 8.601 10.162 1.00 14.89 C ATOM 330 C VAL A 43 29.351 10.018 10.242 1.00 12.87 C ATOM 331 O VAL A 43 29.000 10.614 9.224 1.00 13.84 O ATOM 332 CB VAL A 43 31.460 8.661 10.090 1.00 15.24 C ATOM 333 CG1AVAL A 43 32.034 9.404 11.294 0.33 15.56 C ATOM 334 CG1BVAL A 43 31.907 9.414 8.851 0.66 15.75 C ATOM 335 CG2AVAL A 43 32.041 7.259 10.003 0.66 15.55 C ATOM 336 CG2BVAL A 43 32.033 9.311 11.346 0.33 15.68 C ATOM 337 N ASN A 44 29.259 10.549 11.452 1.00 11.75 N ATOM 338 CA ASN A 44 28.822 11.918 11.639 1.00 11.79 C ATOM 339 C ASN A 44 29.261 12.335 13.037 1.00 11.44 C ATOM 340 O ASN A 44 29.419 11.492 13.912 1.00 13.06 O ATOM 341 CB ASN A 44 27.293 12.058 11.484 1.00 9.51 C ATOM 342 CG ASN A 44 26.849 13.516 11.425 1.00 13.74 C ATOM 343 OD1 ASN A 44 27.416 14.315 10.677 1.00 15.59 O ATOM 344 ND2 ASN A 44 25.881 13.879 12.244 1.00 11.38 N ATOM 345 N THR A 45 29.518 13.619 13.218 1.00 10.87 N ATOM 346 CA THR A 45 29.913 14.158 14.511 1.00 11.16 C ATOM 347 C THR A 45 28.975 15.311 14.866 1.00 11.41 C ATOM 348 O THR A 45 28.687 16.168 14.029 1.00 11.30 O ATOM 349 CB THR A 45 31.360 14.731 14.459 1.00 12.55 C ATOM 350 OG1 THR A 45 32.244 13.754 13.909 1.00 12.31 O ATOM 351 CG2 THR A 45 31.850 15.137 15.860 1.00 11.89 C ATOM 352 N PHE A 46 28.482 15.308 16.098 1.00 9.93 N ATOM 353 CA PHE A 46 27.633 16.378 16.609 1.00 9.74 C ATOM 354 C PHE A 46 28.470 17.190 17.602 1.00 8.66 C ATOM 355 O PHE A 46 29.307 16.634 18.329 1.00 10.00 O ATOM 356 CB PHE A 46 26.376 15.815 17.282 1.00 8.07 C ATOM 357 CG PHE A 46 25.358 15.287 16.302 1.00 9.42 C ATOM 358 CD1 PHE A 46 24.447 16.153 15.692 1.00 10.79 C ATOM 359 CD2 PHE A 46 25.339 13.932 15.960 1.00 10.75 C ATOM 360 CE1 PHE A 46 23.531 15.682 14.750 1.00 10.50 C ATOM 361 CE2 PHE A 46 24.425 13.443 15.014 1.00 12.85 C ATOM 362 CZ PHE A 46 23.518 14.327 14.409 1.00 12.18 C ATOM 363 N VAL A 47 28.285 18.502 17.607 1.00 8.33 N ATOM 364 CA VAL A 47 29.031 19.378 18.502 1.00 8.75 C ATOM 365 C VAL A 47 28.048 19.971 19.526 1.00 9.81 C ATOM 366 O VAL A 47 27.003 20.514 19.165 1.00 8.88 O ATOM 367 CB VAL A 47 29.810 20.481 17.718 1.00 8.74 C ATOM 368 CG1 VAL A 47 30.677 21.279 18.665 1.00 9.77 C ATOM 369 CG2 VAL A 47 30.707 19.831 16.670 1.00 8.56 C ATOM 370 N HIS A 48 28.391 19.810 20.804 1.00 10.61 N ATOM 371 CA HIS A 48 27.555 20.262 21.927 1.00 10.35 C ATOM 372 C HIS A 48 28.066 21.572 22.502 1.00 10.48 C ATOM 373 O HIS A 48 28.557 21.621 23.624 1.00 11.91 O ATOM 374 CB HIS A 48 27.539 19.180 23.007 1.00 8.31 C ATOM 375 CG HIS A 48 27.082 17.850 22.517 1.00 8.48 C ATOM 376 ND1 HIS A 48 25.751 17.522 22.405 1.00 11.73 N ATOM 377 CD2 HIS A 48 27.778 16.755 22.121 1.00 9.29 C ATOM 378 CE1 HIS A 48 25.645 16.281 21.963 1.00 11.97 C ATOM 379 NE2 HIS A 48 26.859 15.797 21.783 1.00 10.03 N ATOM 380 N GLU A 49 27.981 22.621 21.703 1.00 10.36 N ATOM 381 CA GLU A 49 28.451 23.943 22.072 1.00 10.39 C ATOM 382 C GLU A 49 27.531 24.957 21.402 1.00 11.23 C ATOM 383 O GLU A 49 26.743 24.613 20.504 1.00 12.70 O ATOM 384 CB GLU A 49 29.876 24.159 21.549 1.00 11.32 C ATOM 385 CG GLU A 49 30.923 23.129 21.975 1.00 12.39 C ATOM 386 CD GLU A 49 31.376 23.283 23.434 1.00 13.09 C ATOM 387 OE1 GLU A 49 31.094 24.329 24.059 1.00 14.63 O ATOM 388 OE2 GLU A 49 32.032 22.351 23.948 1.00 12.15 O ATOM 389 N SER A 50 27.619 26.211 21.825 1.00 12.49 N ATOM 390 CA SER A 50 26.776 27.240 21.212 1.00 12.39 C ATOM 391 C SER A 50 27.208 27.417 19.755 1.00 12.53 C ATOM 392 O SER A 50 28.387 27.226 19.413 1.00 12.01 O ATOM 393 CB SER A 50 26.901 28.578 21.948 1.00 10.10 C ATOM 394 OG SER A 50 28.231 29.041 21.913 1.00 12.81 O ATOM 395 N LEU A 51 26.254 27.776 18.906 1.00 12.10 N ATOM 396 CA LEU A 51 26.549 28.006 17.516 1.00 12.68 C ATOM 397 C LEU A 51 27.617 29.101 17.425 1.00 12.25 C ATOM 398 O LEU A 51 28.565 28.980 16.662 1.00 12.00 O ATOM 399 CB LEU A 51 25.280 28.409 16.777 1.00 12.51 C ATOM 400 CG LEU A 51 25.516 28.726 15.301 1.00 15.44 C ATOM 401 CD1 LEU A 51 26.091 27.504 14.560 1.00 14.63 C ATOM 402 CD2 LEU A 51 24.196 29.183 14.702 1.00 15.25 C ATOM 403 N ALA A 52 27.483 30.145 18.238 1.00 12.20 N ATOM 404 CA ALA A 52 28.450 31.243 18.251 1.00 12.24 C ATOM 405 C ALA A 52 29.901 30.775 18.475 1.00 11.15 C ATOM 406 O ALA A 52 30.823 31.233 17.797 1.00 10.43 O ATOM 407 CB ALA A 52 28.057 32.271 19.319 1.00 12.93 C ATOM 408 N ASP A 53 30.099 29.849 19.409 1.00 10.41 N ATOM 409 CA ASP A 53 31.433 29.326 19.695 1.00 12.46 C ATOM 410 C ASP A 53 32.007 28.528 18.537 1.00 10.74 C ATOM 411 O ASP A 53 33.220 28.532 18.319 1.00 9.63 O ATOM 412 CB ASP A 53 31.435 28.449 20.948 1.00 12.93 C ATOM 413 CG ASP A 53 31.395 29.255 22.216 1.00 15.20 C ATOM 414 OD1 ASP A 53 31.405 30.503 22.151 1.00 16.00 O ATOM 415 OD2 ASP A 53 31.384 28.626 23.289 1.00 17.03 O ATOM 416 N VAL A 54 31.137 27.825 17.821 1.00 8.03 N ATOM 417 CA VAL A 54 31.590 27.034 16.701 1.00 9.33 C ATOM 418 C VAL A 54 31.881 27.955 15.503 1.00 9.26 C ATOM 419 O VAL A 54 32.901 27.797 14.836 1.00 9.34 O ATOM 420 CB VAL A 54 30.583 25.922 16.371 1.00 9.49 C ATOM 421 CG1 VAL A 54 30.979 25.196 15.066 1.00 11.91 C ATOM 422 CG2 VAL A 54 30.505 24.909 17.539 1.00 10.84 C ATOM 423 N GLN A 55 31.029 28.953 15.270 1.00 10.99 N ATOM 424 CA GLN A 55 31.257 29.908 14.166 1.00 12.31 C ATOM 425 C GLN A 55 32.548 30.673 14.399 1.00 12.21 C ATOM 426 O GLN A 55 33.236 31.048 13.453 1.00 13.45 O ATOM 427 CB GLN A 55 30.115 30.902 14.041 1.00 11.20 C ATOM 428 CG GLN A 55 28.793 30.258 13.666 1.00 13.88 C ATOM 429 CD GLN A 55 27.634 31.245 13.699 1.00 12.20 C ATOM 430 OE1 GLN A 55 27.623 32.190 14.485 1.00 15.93 O ATOM 431 NE2 GLN A 55 26.670 31.042 12.827 1.00 15.02 N ATOM 432 N ALA A 56 32.876 30.901 15.668 1.00 12.58 N ATOM 433 CA ALA A 56 34.096 31.617 16.018 1.00 11.65 C ATOM 434 C ALA A 56 35.382 30.882 15.595 1.00 11.10 C ATOM 435 O ALA A 56 36.447 31.496 15.523 1.00 11.35 O ATOM 436 CB ALA A 56 34.114 31.898 17.514 1.00 11.89 C ATOM 437 N VAL A 57 35.296 29.578 15.328 1.00 10.41 N ATOM 438 CA VAL A 57 36.478 28.811 14.933 1.00 10.25 C ATOM 439 C VAL A 57 37.034 29.299 13.596 1.00 10.68 C ATOM 440 O VAL A 57 38.237 29.165 13.348 1.00 11.51 O ATOM 441 CB VAL A 57 36.220 27.281 14.911 1.00 8.85 C ATOM 442 CG1 VAL A 57 37.465 26.527 14.459 1.00 7.87 C ATOM 443 CG2 VAL A 57 35.837 26.811 16.304 1.00 9.82 C ATOM 444 N CYS A 58 36.175 29.908 12.769 1.00 10.53 N ATOM 445 CA CYS A 58 36.591 30.442 11.465 1.00 13.34 C ATOM 446 C CYS A 58 37.621 31.552 11.565 1.00 14.63 C ATOM 447 O CYS A 58 38.203 31.955 10.548 1.00 16.69 O ATOM 448 CB CYS A 58 35.403 30.930 10.640 1.00 11.03 C ATOM 449 SG CYS A 58 34.308 29.572 10.172 1.00 12.89 S ATOM 450 N SER A 59 37.838 32.046 12.783 1.00 15.87 N ATOM 451 CA SER A 59 38.824 33.090 13.038 1.00 16.14 C ATOM 452 C SER A 59 39.940 32.555 13.952 1.00 15.46 C ATOM 453 O SER A 59 40.686 33.329 14.566 1.00 17.64 O ATOM 454 CB SER A 59 38.149 34.323 13.665 1.00 16.48 C ATOM 455 OG SER A 59 37.691 34.072 14.983 1.00 20.49 O ATOM 456 N GLN A 60 40.041 31.233 14.072 1.00 15.24 N ATOM 457 CA GLN A 60 41.055 30.638 14.925 1.00 15.21 C ATOM 458 C GLN A 60 42.238 30.056 14.146 1.00 16.31 C ATOM 459 O GLN A 60 42.638 30.644 13.148 1.00 17.31 O ATOM 460 CB GLN A 60 40.409 29.687 15.935 1.00 13.79 C ATOM 461 CG GLN A 60 39.471 30.478 16.880 1.00 14.27 C ATOM 462 CD GLN A 60 38.644 29.629 17.822 1.00 13.94 C ATOM 463 OE1 GLN A 60 38.932 28.461 18.039 1.00 17.24 O ATOM 464 NE2 GLN A 60 37.611 30.222 18.398 1.00 16.48 N ATOM 465 N LYS A 61 42.816 28.949 14.591 1.00 17.27 N ATOM 466 CA LYS A 61 44.001 28.397 13.934 1.00 19.10 C ATOM 467 C LYS A 61 43.755 27.866 12.533 1.00 18.39 C ATOM 468 O LYS A 61 43.116 26.835 12.369 1.00 17.98 O ATOM 469 CB LYS A 61 44.614 27.295 14.808 1.00 21.48 C ATOM 470 CG LYS A 61 46.006 26.885 14.457 1.00 26.60 C ATOM 471 CD LYS A 61 46.521 25.752 15.419 1.00 32.61 C ATOM 472 CE LYS A 61 46.341 26.151 16.909 1.00 35.49 C ATOM 473 NZ LYS A 61 46.593 25.081 17.930 1.00 38.28 N ATOM 474 N ASN A 62 44.295 28.553 11.532 1.00 18.20 N ATOM 475 CA ASN A 62 44.170 28.124 10.143 1.00 18.14 C ATOM 476 C ASN A 62 45.095 26.913 9.908 1.00 18.65 C ATOM 477 O ASN A 62 46.247 26.869 10.382 1.00 18.39 O ATOM 478 CB ASN A 62 44.518 29.280 9.197 1.00 20.81 C ATOM 479 CG ASN A 62 44.523 28.869 7.727 1.00 21.55 C ATOM 480 OD1 ASN A 62 45.546 28.997 7.051 1.00 24.71 O ATOM 481 ND2 ASN A 62 43.395 28.365 7.231 1.00 18.77 N ATOM 482 N VAL A 63 44.519 25.876 9.315 1.00 16.00 N ATOM 483 CA VAL A 63 45.239 24.653 9.021 1.00 17.62 C ATOM 484 C VAL A 63 44.716 24.097 7.716 1.00 16.56 C ATOM 485 O VAL A 63 43.644 24.497 7.227 1.00 17.12 O ATOM 486 CB VAL A 63 45.051 23.565 10.128 1.00 18.58 C ATOM 487 CG1 VAL A 63 45.712 24.003 11.424 1.00 19.60 C ATOM 488 CG2 VAL A 63 43.573 23.244 10.336 1.00 18.28 C ATOM 489 N ALA A 64 45.495 23.217 7.112 1.00 15.53 N ATOM 490 CA ALA A 64 45.043 22.612 5.871 1.00 14.01 C ATOM 491 C ALA A 64 44.012 21.527 6.201 1.00 13.37 C ATOM 492 O ALA A 64 44.123 20.827 7.225 1.00 10.67 O ATOM 493 CB ALA A 64 46.221 22.015 5.103 1.00 13.15 C ATOM 494 N CYS A 65 42.977 21.440 5.368 1.00 12.11 N ATOM 495 CA CYS A 65 41.940 20.420 5.486 1.00 12.22 C ATOM 496 C CYS A 65 42.576 19.074 5.101 1.00 13.17 C ATOM 497 O CYS A 65 43.628 19.027 4.443 1.00 11.28 O ATOM 498 CB CYS A 65 40.791 20.711 4.517 1.00 11.35 C ATOM 499 SG CYS A 65 40.083 22.366 4.674 1.00 15.15 S ATOM 500 N LYS A 66 41.910 17.990 5.477 1.00 12.17 N ATOM 501 CA LYS A 66 42.367 16.641 5.197 1.00 15.96 C ATOM 502 C LYS A 66 42.660 16.475 3.685 1.00 16.58 C ATOM 503 O LYS A 66 43.650 15.852 3.293 1.00 16.16 O ATOM 504 CB LYS A 66 41.277 15.673 5.655 1.00 18.77 C ATOM 505 CG LYS A 66 41.649 14.210 5.634 1.00 25.95 C ATOM 506 CD LYS A 66 40.612 13.363 6.394 1.00 28.75 C ATOM 507 CE LYS A 66 40.355 13.919 7.806 1.00 30.66 C ATOM 508 NZ LYS A 66 41.606 14.259 8.554 1.00 32.72 N ATOM 509 N ASN A 67 41.813 17.087 2.859 1.00 16.10 N ATOM 510 CA ASN A 67 41.930 17.026 1.404 1.00 17.00 C ATOM 511 C ASN A 67 42.944 18.021 0.782 1.00 18.24 C ATOM 512 O ASN A 67 43.082 18.084 -0.447 1.00 17.36 O ATOM 513 CB ASN A 67 40.536 17.199 0.774 1.00 18.31 C ATOM 514 CG ASN A 67 40.089 18.679 0.682 1.00 22.31 C ATOM 515 OD1 ASN A 67 40.516 19.549 1.470 1.00 21.19 O ATOM 516 ND2 ASN A 67 39.215 18.960 -0.276 1.00 26.28 N ATOM 517 N GLY A 68 43.610 18.826 1.618 1.00 15.60 N ATOM 518 CA GLY A 68 44.591 19.760 1.095 1.00 15.01 C ATOM 519 C GLY A 68 44.148 21.204 1.008 1.00 15.41 C ATOM 520 O GLY A 68 44.974 22.099 0.840 1.00 16.40 O ATOM 521 N GLN A 69 42.844 21.443 1.094 1.00 15.70 N ATOM 522 CA GLN A 69 42.322 22.807 1.055 1.00 15.76 C ATOM 523 C GLN A 69 42.891 23.597 2.236 1.00 14.41 C ATOM 524 O GLN A 69 43.211 23.038 3.273 1.00 12.50 O ATOM 525 CB GLN A 69 40.802 22.806 1.127 1.00 16.93 C ATOM 526 CG GLN A 69 40.145 22.441 -0.150 1.00 21.26 C ATOM 527 CD GLN A 69 38.649 22.258 0.010 1.00 25.99 C ATOM 528 OE1 GLN A 69 38.038 21.517 -0.744 1.00 29.45 O ATOM 529 NE2 GLN A 69 38.051 22.918 1.010 1.00 26.85 N ATOM 530 N THR A 70 43.008 24.904 2.070 1.00 13.27 N ATOM 531 CA THR A 70 43.573 25.721 3.112 1.00 14.17 C ATOM 532 C THR A 70 42.571 26.627 3.792 1.00 14.15 C ATOM 533 O THR A 70 42.958 27.558 4.486 1.00 16.47 O ATOM 534 CB THR A 70 44.779 26.536 2.581 1.00 14.33 C ATOM 535 OG1 THR A 70 44.439 27.160 1.335 1.00 15.45 O ATOM 536 CG2 THR A 70 45.975 25.633 2.366 1.00 15.42 C ATOM 537 N ASN A 71 41.284 26.348 3.618 1.00 13.13 N ATOM 538 CA ASN A 71 40.262 27.157 4.268 1.00 14.17 C ATOM 539 C ASN A 71 39.707 26.459 5.521 1.00 13.17 C ATOM 540 O ASN A 71 38.538 26.642 5.870 1.00 13.54 O ATOM 541 CB ASN A 71 39.129 27.523 3.297 1.00 14.76 C ATOM 542 CG ASN A 71 38.282 26.333 2.910 1.00 14.90 C ATOM 543 OD1 ASN A 71 38.807 25.264 2.605 1.00 16.86 O ATOM 544 ND2 ASN A 71 36.970 26.514 2.903 1.00 14.20 N ATOM 545 N CYS A 72 40.521 25.594 6.127 1.00 12.43 N ATOM 546 CA CYS A 72 40.132 24.909 7.355 1.00 12.67 C ATOM 547 C CYS A 72 40.682 25.628 8.586 1.00 13.16 C ATOM 548 O CYS A 72 41.667 26.394 8.511 1.00 11.02 O ATOM 549 CB CYS A 72 40.565 23.445 7.372 1.00 12.92 C ATOM 550 SG CYS A 72 39.368 22.348 6.562 1.00 15.05 S ATOM 551 N TYR A 73 40.011 25.413 9.707 1.00 12.53 N ATOM 552 CA TYR A 73 40.412 26.048 10.948 1.00 12.72 C ATOM 553 C TYR A 73 40.234 25.095 12.085 1.00 13.24 C ATOM 554 O TYR A 73 39.296 24.298 12.102 1.00 11.94 O ATOM 555 CB TYR A 73 39.602 27.319 11.207 1.00 12.29 C ATOM 556 CG TYR A 73 39.821 28.381 10.168 1.00 12.71 C ATOM 557 CD1 TYR A 73 39.090 28.369 8.985 1.00 12.59 C ATOM 558 CD2 TYR A 73 40.768 29.388 10.359 1.00 13.50 C ATOM 559 CE1 TYR A 73 39.290 29.325 8.012 1.00 15.67 C ATOM 560 CE2 TYR A 73 40.984 30.361 9.390 1.00 14.21 C ATOM 561 CZ TYR A 73 40.241 30.317 8.216 1.00 16.26 C ATOM 562 OH TYR A 73 40.468 31.237 7.217 1.00 20.21 O ATOM 563 N GLN A 74 41.144 25.186 13.040 1.00 12.36 N ATOM 564 CA GLN A 74 41.098 24.347 14.204 1.00 13.93 C ATOM 565 C GLN A 74 40.803 25.162 15.452 1.00 12.86 C ATOM 566 O GLN A 74 41.362 26.254 15.655 1.00 12.39 O ATOM 567 CB GLN A 74 42.418 23.625 14.362 1.00 15.40 C ATOM 568 CG GLN A 74 42.484 22.775 15.578 1.00 18.05 C ATOM 569 CD GLN A 74 43.832 22.173 15.720 1.00 22.07 C ATOM 570 OE1 GLN A 74 44.292 21.477 14.822 1.00 24.67 O ATOM 571 NE2 GLN A 74 44.497 22.433 16.850 1.00 27.48 N ATOM 572 N SER A 75 39.907 24.634 16.277 1.00 11.42 N ATOM 573 CA SER A 75 39.544 25.305 17.500 1.00 12.00 C ATOM 574 C SER A 75 40.731 25.341 18.459 1.00 11.14 C ATOM 575 O SER A 75 41.480 24.365 18.612 1.00 10.57 O ATOM 576 CB SER A 75 38.335 24.631 18.156 1.00 10.19 C ATOM 577 OG SER A 75 38.607 23.275 18.454 1.00 11.59 O ATOM 578 N TYR A 76 40.910 26.492 19.090 1.00 14.28 N ATOM 579 CA TYR A 76 41.993 26.651 20.054 1.00 15.08 C ATOM 580 C TYR A 76 41.788 25.719 21.244 1.00 16.93 C ATOM 581 O TYR A 76 42.750 25.113 21.748 1.00 18.95 O ATOM 582 CB TYR A 76 42.088 28.102 20.516 1.00 15.78 C ATOM 583 CG TYR A 76 42.686 29.026 19.486 1.00 16.27 C ATOM 584 CD1 TYR A 76 43.832 28.660 18.773 1.00 17.27 C ATOM 585 CD2 TYR A 76 42.119 30.267 19.224 1.00 18.00 C ATOM 586 CE1 TYR A 76 44.397 29.505 17.824 1.00 16.95 C ATOM 587 CE2 TYR A 76 42.684 31.130 18.262 1.00 20.59 C ATOM 588 CZ TYR A 76 43.819 30.735 17.569 1.00 18.87 C ATOM 589 OH TYR A 76 44.358 31.561 16.602 1.00 22.42 O ATOM 590 N SER A 77 40.535 25.567 21.665 1.00 16.81 N ATOM 591 CA SER A 77 40.215 24.698 22.795 1.00 17.04 C ATOM 592 C SER A 77 39.393 23.482 22.374 1.00 17.06 C ATOM 593 O SER A 77 38.846 23.443 21.267 1.00 14.53 O ATOM 594 CB SER A 77 39.490 25.496 23.885 1.00 19.72 C ATOM 595 OG SER A 77 38.380 26.206 23.366 1.00 22.51 O ATOM 596 N THR A 78 39.340 22.470 23.243 1.00 16.43 N ATOM 597 CA THR A 78 38.578 21.266 22.964 1.00 15.54 C ATOM 598 C THR A 78 37.085 21.542 23.134 1.00 14.87 C ATOM 599 O THR A 78 36.689 22.507 23.809 1.00 15.82 O ATOM 600 CB THR A 78 39.019 20.079 23.835 1.00 16.71 C ATOM 601 OG1 THR A 78 38.841 20.396 25.219 1.00 21.34 O ATOM 602 CG2 THR A 78 40.467 19.750 23.580 1.00 18.77 C ATOM 603 N MET A 79 36.258 20.722 22.496 1.00 13.20 N ATOM 604 CA MET A 79 34.817 20.884 22.552 1.00 12.59 C ATOM 605 C MET A 79 34.157 19.565 22.844 1.00 10.62 C ATOM 606 O MET A 79 34.739 18.520 22.610 1.00 12.28 O ATOM 607 CB MET A 79 34.289 21.453 21.231 1.00 10.57 C ATOM 608 CG MET A 79 34.803 22.865 20.950 1.00 13.57 C ATOM 609 SD MET A 79 33.997 23.653 19.573 1.00 16.13 S ATOM 610 CE MET A 79 34.321 25.375 19.959 1.00 17.96 C ATOM 611 N SER A 80 32.969 19.606 23.415 1.00 10.61 N ATOM 612 CA SER A 80 32.261 18.378 23.688 1.00 12.42 C ATOM 613 C SER A 80 31.621 17.914 22.365 1.00 13.08 C ATOM 614 O SER A 80 30.874 18.670 21.724 1.00 13.20 O ATOM 615 CB SER A 80 31.179 18.609 24.734 1.00 14.06 C ATOM 616 OG SER A 80 30.372 17.454 24.806 1.00 15.71 O ATOM 617 N ILE A 81 31.941 16.698 21.946 1.00 13.00 N ATOM 618 CA ILE A 81 31.400 16.162 20.704 1.00 13.19 C ATOM 619 C ILE A 81 30.951 14.709 20.851 1.00 13.59 C ATOM 620 O ILE A 81 31.380 13.992 21.767 1.00 11.92 O ATOM 621 CB ILE A 81 32.439 16.220 19.567 1.00 12.24 C ATOM 622 CG1 ILE A 81 33.595 15.284 19.883 1.00 13.13 C ATOM 623 CG2 ILE A 81 32.950 17.643 19.352 1.00 11.58 C ATOM 624 CD1 ILE A 81 34.544 15.129 18.745 1.00 17.34 C ATOM 625 N THR A 82 30.059 14.292 19.955 1.00 12.06 N ATOM 626 CA THR A 82 29.571 12.925 19.926 1.00 11.44 C ATOM 627 C THR A 82 29.857 12.385 18.526 1.00 11.55 C ATOM 628 O THR A 82 29.515 13.026 17.531 1.00 9.90 O ATOM 629 CB THR A 82 28.047 12.819 20.197 1.00 12.18 C ATOM 630 OG1 THR A 82 27.745 13.336 21.500 1.00 12.02 O ATOM 631 CG2 THR A 82 27.604 11.368 20.146 1.00 9.99 C ATOM 632 N ASP A 83 30.566 11.266 18.465 1.00 10.46 N ATOM 633 CA ASP A 83 30.868 10.613 17.202 1.00 12.07 C ATOM 634 C ASP A 83 29.827 9.552 16.991 1.00 11.31 C ATOM 635 O ASP A 83 29.456 8.846 17.930 1.00 12.72 O ATOM 636 CB ASP A 83 32.259 9.965 17.198 1.00 17.29 C ATOM 637 CG ASP A 83 33.351 10.965 16.920 1.00 21.27 C ATOM 638 OD1 ASP A 83 33.250 11.646 15.882 1.00 22.53 O ATOM 639 OD2 ASP A 83 34.289 11.102 17.747 1.00 25.82 O ATOM 640 N CYS A 84 29.299 9.500 15.776 1.00 10.08 N ATOM 641 CA CYS A 84 28.303 8.528 15.411 1.00 11.41 C ATOM 642 C CYS A 84 28.913 7.688 14.314 1.00 14.29 C ATOM 643 O CYS A 84 29.386 8.226 13.309 1.00 14.17 O ATOM 644 CB CYS A 84 27.043 9.236 14.911 1.00 10.97 C ATOM 645 SG CYS A 84 26.227 10.258 16.197 1.00 11.89 S ATOM 646 N ARG A 85 28.962 6.382 14.534 1.00 14.26 N ATOM 647 CA ARG A 85 29.518 5.467 13.546 1.00 16.26 C ATOM 648 C ARG A 85 28.559 4.308 13.323 1.00 15.81 C ATOM 649 O ARG A 85 28.022 3.712 14.271 1.00 13.20 O ATOM 650 CB ARG A 85 30.871 4.933 14.004 1.00 20.12 C ATOM 651 CG ARG A 85 31.763 4.441 12.873 1.00 28.38 C ATOM 652 CD ARG A 85 33.205 4.259 13.365 1.00 35.00 C ATOM 653 NE ARG A 85 33.442 4.945 14.645 1.00 40.28 N ATOM 654 CZ ARG A 85 33.783 6.228 14.777 1.00 41.94 C ATOM 655 NH1 ARG A 85 33.953 6.993 13.702 1.00 42.82 N ATOM 656 NH2 ARG A 85 33.888 6.762 15.993 1.00 42.45 N ATOM 657 N GLU A 86 28.359 3.995 12.049 1.00 14.42 N ATOM 658 CA GLU A 86 27.470 2.932 11.645 1.00 13.41 C ATOM 659 C GLU A 86 27.902 1.573 12.203 1.00 13.61 C ATOM 660 O GLU A 86 29.097 1.243 12.200 1.00 13.54 O ATOM 661 CB GLU A 86 27.401 2.910 10.117 1.00 14.46 C ATOM 662 CG GLU A 86 26.118 2.359 9.620 1.00 16.10 C ATOM 663 CD GLU A 86 26.018 2.313 8.121 1.00 14.54 C ATOM 664 OE1 GLU A 86 27.026 2.576 7.420 1.00 14.70 O ATOM 665 OE2 GLU A 86 24.913 1.996 7.666 1.00 14.89 O ATOM 666 N THR A 87 26.938 0.820 12.737 1.00 12.38 N ATOM 667 CA THR A 87 27.200 -0.507 13.303 1.00 13.83 C ATOM 668 C THR A 87 27.122 -1.577 12.225 1.00 13.97 C ATOM 669 O THR A 87 26.565 -1.353 11.149 1.00 12.62 O ATOM 670 CB THR A 87 26.180 -0.871 14.413 1.00 14.05 C ATOM 671 OG1ATHR A 87 26.704 -1.936 15.226 0.50 15.67 O ATOM 672 OG1BTHR A 87 24.860 -0.869 13.853 0.50 16.16 O ATOM 673 CG2ATHR A 87 24.875 -1.336 13.808 0.50 14.89 C ATOM 674 CG2BTHR A 87 26.260 0.155 15.548 0.50 13.49 C ATOM 675 N GLY A 88 27.636 -2.761 12.560 1.00 14.73 N ATOM 676 CA GLY A 88 27.621 -3.887 11.643 1.00 14.94 C ATOM 677 C GLY A 88 26.216 -4.360 11.345 1.00 14.69 C ATOM 678 O GLY A 88 26.019 -5.077 10.369 1.00 18.38 O ATOM 679 N SER A 89 25.253 -4.009 12.200 1.00 13.36 N ATOM 680 CA SER A 89 23.850 -4.387 12.001 1.00 14.68 C ATOM 681 C SER A 89 23.021 -3.299 11.306 1.00 14.63 C ATOM 682 O SER A 89 21.791 -3.424 11.196 1.00 16.10 O ATOM 683 CB SER A 89 23.202 -4.700 13.342 1.00 13.92 C ATOM 684 OG SER A 89 23.780 -5.862 13.904 1.00 16.94 O ATOM 685 N SER A 90 23.679 -2.227 10.874 1.00 14.70 N ATOM 686 CA SER A 90 22.984 -1.131 10.219 1.00 14.59 C ATOM 687 C SER A 90 22.519 -1.596 8.839 1.00 15.28 C ATOM 688 O SER A 90 23.323 -2.084 8.040 1.00 15.56 O ATOM 689 CB SER A 90 23.916 0.070 10.124 1.00 12.34 C ATOM 690 OG SER A 90 23.262 1.203 9.612 1.00 14.91 O ATOM 691 N LYS A 91 21.223 -1.450 8.573 1.00 16.78 N ATOM 692 CA LYS A 91 20.659 -1.871 7.290 1.00 18.89 C ATOM 693 C LYS A 91 19.545 -0.933 6.860 1.00 15.97 C ATOM 694 O LYS A 91 18.474 -0.920 7.465 1.00 15.82 O ATOM 695 CB LYS A 91 20.111 -3.299 7.410 1.00 23.31 C ATOM 696 CG LYS A 91 19.581 -3.895 6.110 1.00 27.91 C ATOM 697 CD LYS A 91 20.684 -3.987 5.062 1.00 33.33 C ATOM 698 CE LYS A 91 20.150 -4.458 3.702 1.00 33.92 C ATOM 699 NZ LYS A 91 19.653 -5.858 3.726 1.00 35.58 N ATOM 700 N TYR A 92 19.785 -0.163 5.806 1.00 14.77 N ATOM 701 CA TYR A 92 18.785 0.783 5.315 1.00 15.01 C ATOM 702 C TYR A 92 17.426 0.111 5.107 1.00 14.35 C ATOM 703 O TYR A 92 17.355 -0.991 4.591 1.00 15.73 O ATOM 704 CB TYR A 92 19.264 1.452 4.029 1.00 13.00 C ATOM 705 CG TYR A 92 18.354 2.551 3.572 1.00 12.69 C ATOM 706 CD1 TYR A 92 17.271 2.279 2.737 1.00 11.97 C ATOM 707 CD2 TYR A 92 18.542 3.853 4.005 1.00 12.21 C ATOM 708 CE1 TYR A 92 16.411 3.262 2.362 1.00 11.97 C ATOM 709 CE2 TYR A 92 17.679 4.860 3.623 1.00 12.23 C ATOM 710 CZ TYR A 92 16.617 4.555 2.798 1.00 13.05 C ATOM 711 OH TYR A 92 15.764 5.536 2.363 1.00 15.74 O ATOM 712 N PRO A 93 16.315 0.776 5.495 1.00 15.48 N ATOM 713 CA PRO A 93 16.227 2.108 6.111 1.00 15.53 C ATOM 714 C PRO A 93 16.480 2.131 7.609 1.00 14.89 C ATOM 715 O PRO A 93 16.468 3.193 8.226 1.00 15.92 O ATOM 716 CB PRO A 93 14.794 2.525 5.781 1.00 15.83 C ATOM 717 CG PRO A 93 14.058 1.253 5.886 1.00 16.48 C ATOM 718 CD PRO A 93 14.973 0.261 5.187 1.00 15.98 C ATOM 719 N ASN A 94 16.713 0.960 8.188 1.00 14.85 N ATOM 720 CA ASN A 94 16.987 0.866 9.626 1.00 17.46 C ATOM 721 C ASN A 94 18.488 1.045 9.941 1.00 14.94 C ATOM 722 O ASN A 94 19.211 0.093 10.264 1.00 15.33 O ATOM 723 CB ASN A 94 16.433 -0.455 10.183 1.00 20.12 C ATOM 724 CG ASN A 94 14.918 -0.587 9.970 1.00 21.56 C ATOM 725 OD1 ASN A 94 14.140 0.241 10.436 1.00 24.72 O ATOM 726 ND2 ASN A 94 14.506 -1.613 9.231 1.00 25.08 N ATOM 727 N CYS A 95 18.944 2.282 9.791 1.00 13.56 N ATOM 728 CA CYS A 95 20.329 2.642 10.024 1.00 12.80 C ATOM 729 C CYS A 95 20.599 2.573 11.520 1.00 13.08 C ATOM 730 O CYS A 95 19.799 3.062 12.313 1.00 13.52 O ATOM 731 CB CYS A 95 20.579 4.058 9.494 1.00 12.84 C ATOM 732 SG CYS A 95 20.156 4.275 7.730 1.00 12.42 S ATOM 733 N ALA A 96 21.747 2.026 11.895 1.00 10.96 N ATOM 734 CA ALA A 96 22.089 1.889 13.303 1.00 12.20 C ATOM 735 C ALA A 96 23.478 2.459 13.574 1.00 10.82 C ATOM 736 O ALA A 96 24.387 2.272 12.768 1.00 10.26 O ATOM 737 CB ALA A 96 22.014 0.426 13.721 1.00 11.79 C ATOM 738 N TYR A 97 23.645 3.122 14.718 1.00 10.20 N ATOM 739 CA TYR A 97 24.910 3.756 15.081 1.00 12.64 C ATOM 740 C TYR A 97 25.405 3.517 16.496 1.00 12.95 C ATOM 741 O TYR A 97 24.621 3.336 17.428 1.00 12.77 O ATOM 742 CB TYR A 97 24.813 5.274 14.898 1.00 11.85 C ATOM 743 CG TYR A 97 24.498 5.671 13.478 1.00 12.28 C ATOM 744 CD1 TYR A 97 23.175 5.733 13.026 1.00 11.42 C ATOM 745 CD2 TYR A 97 25.522 5.937 12.573 1.00 11.79 C ATOM 746 CE1 TYR A 97 22.881 6.045 11.704 1.00 10.65 C ATOM 747 CE2 TYR A 97 25.240 6.253 11.254 1.00 12.38 C ATOM 748 CZ TYR A 97 23.921 6.307 10.822 1.00 11.00 C ATOM 749 OH TYR A 97 23.645 6.639 9.516 1.00 11.52 O ATOM 750 N LYS A 98 26.728 3.559 16.633 1.00 13.56 N ATOM 751 CA LYS A 98 27.417 3.433 17.916 1.00 12.61 C ATOM 752 C LYS A 98 27.663 4.889 18.333 1.00 12.73 C ATOM 753 O LYS A 98 28.106 5.698 17.515 1.00 12.26 O ATOM 754 CB LYS A 98 28.765 2.737 17.725 1.00 12.73 C ATOM 755 CG LYS A 98 29.723 2.922 18.881 1.00 16.34 C ATOM 756 CD LYS A 98 31.161 3.195 18.388 1.00 21.85 C ATOM 757 CE LYS A 98 31.286 4.373 17.332 1.00 22.98 C ATOM 758 NZ LYS A 98 31.080 5.837 17.729 1.00 14.95 N ATOM 759 N THR A 99 27.332 5.231 19.571 1.00 12.74 N ATOM 760 CA THR A 99 27.520 6.566 20.113 1.00 12.64 C ATOM 761 C THR A 99 28.802 6.650 20.940 1.00 13.55 C ATOM 762 O THR A 99 29.020 5.837 21.838 1.00 13.70 O ATOM 763 CB THR A 99 26.330 6.944 21.010 1.00 11.40 C ATOM 764 OG1 THR A 99 25.133 6.902 20.223 1.00 11.04 O ATOM 765 CG2 THR A 99 26.524 8.326 21.588 1.00 9.31 C ATOM 766 N THR A 100 29.673 7.598 20.601 1.00 13.78 N ATOM 767 CA THR A 100 30.907 7.771 21.345 1.00 14.64 C ATOM 768 C THR A 100 31.058 9.229 21.778 1.00 15.42 C ATOM 769 O THR A 100 31.010 10.144 20.963 1.00 15.27 O ATOM 770 CB THR A 100 32.141 7.305 20.518 1.00 15.07 C ATOM 771 OG1 THR A 100 32.083 5.885 20.332 1.00 16.93 O ATOM 772 CG2 THR A 100 33.446 7.658 21.233 1.00 17.39 C ATOM 773 N GLN A 101 31.198 9.457 23.077 1.00 16.34 N ATOM 774 CA GLN A 101 31.351 10.826 23.563 1.00 15.72 C ATOM 775 C GLN A 101 32.833 11.174 23.665 1.00 15.63 C ATOM 776 O GLN A 101 33.677 10.311 23.948 1.00 14.42 O ATOM 777 CB GLN A 101 30.636 10.997 24.909 1.00 17.64 C ATOM 778 CG GLN A 101 30.716 12.409 25.507 1.00 21.75 C ATOM 779 CD GLN A 101 30.107 13.512 24.617 1.00 21.15 C ATOM 780 OE1 GLN A 101 29.051 13.321 23.969 1.00 16.42 O ATOM 781 NE2 GLN A 101 30.762 14.687 24.611 1.00 17.42 N ATOM 782 N ALA A 102 33.156 12.428 23.402 1.00 13.85 N ATOM 783 CA ALA A 102 34.540 12.833 23.468 1.00 14.60 C ATOM 784 C ALA A 102 34.680 14.321 23.671 1.00 14.12 C ATOM 785 O ALA A 102 33.717 15.080 23.640 1.00 13.16 O ATOM 786 CB ALA A 102 35.290 12.392 22.199 1.00 15.91 C ATOM 787 N ASN A 103 35.910 14.727 23.897 1.00 15.92 N ATOM 788 CA ASN A 103 36.219 16.121 24.106 1.00 16.96 C ATOM 789 C ASN A 103 37.494 16.383 23.328 1.00 15.62 C ATOM 790 O ASN A 103 38.569 15.908 23.698 1.00 14.67 O ATOM 791 CB ASN A 103 36.429 16.383 25.592 1.00 21.03 C ATOM 792 CG ASN A 103 35.816 17.682 26.031 1.00 25.91 C ATOM 793 OD1 ASN A 103 34.666 17.712 26.491 1.00 30.33 O ATOM 794 ND2 ASN A 103 36.559 18.775 25.869 1.00 28.14 N ATOM 795 N LYS A 104 37.359 17.043 22.187 1.00 14.72 N ATOM 796 CA LYS A 104 38.529 17.340 21.380 1.00 15.20 C ATOM 797 C LYS A 104 38.407 18.609 20.592 1.00 11.72 C ATOM 798 O LYS A 104 37.410 19.299 20.666 1.00 10.22 O ATOM 799 CB LYS A 104 38.883 16.186 20.448 1.00 18.27 C ATOM 800 CG LYS A 104 37.738 15.455 19.870 1.00 21.75 C ATOM 801 CD LYS A 104 37.720 14.054 20.443 1.00 24.24 C ATOM 802 CE LYS A 104 39.023 13.326 20.184 1.00 25.88 C ATOM 803 NZ LYS A 104 39.299 13.224 18.731 1.00 30.02 N ATOM 804 N HIS A 105 39.492 18.958 19.933 1.00 11.45 N ATOM 805 CA HIS A 105 39.524 20.136 19.106 1.00 12.79 C ATOM 806 C HIS A 105 38.808 19.751 17.809 1.00 13.16 C ATOM 807 O HIS A 105 38.849 18.591 17.395 1.00 14.09 O ATOM 808 CB HIS A 105 40.967 20.502 18.776 1.00 12.73 C ATOM 809 CG HIS A 105 41.834 20.738 19.977 1.00 15.56 C ATOM 810 ND1 HIS A 105 42.022 21.990 20.523 1.00 17.22 N ATOM 811 CD2 HIS A 105 42.612 19.894 20.703 1.00 17.76 C ATOM 812 CE1 HIS A 105 42.876 21.907 21.531 1.00 18.33 C ATOM 813 NE2 HIS A 105 43.249 20.648 21.659 1.00 18.65 N ATOM 814 N ILE A 106 38.116 20.701 17.195 1.00 12.52 N ATOM 815 CA ILE A 106 37.442 20.416 15.943 1.00 11.74 C ATOM 816 C ILE A 106 38.057 21.242 14.820 1.00 11.23 C ATOM 817 O ILE A 106 38.634 22.304 15.048 1.00 10.18 O ATOM 818 CB ILE A 106 35.910 20.648 16.024 1.00 12.31 C ATOM 819 CG1 ILE A 106 35.586 22.132 16.246 1.00 14.62 C ATOM 820 CG2 ILE A 106 35.314 19.778 17.127 1.00 12.70 C ATOM 821 CD1 ILE A 106 34.102 22.506 16.019 1.00 12.82 C ATOM 822 N ILE A 107 37.983 20.701 13.614 1.00 11.65 N ATOM 823 CA ILE A 107 38.515 21.351 12.415 1.00 11.67 C ATOM 824 C ILE A 107 37.349 21.449 11.421 1.00 10.34 C ATOM 825 O ILE A 107 36.713 20.444 11.080 1.00 9.93 O ATOM 826 CB ILE A 107 39.680 20.532 11.768 1.00 10.43 C ATOM 827 CG1 ILE A 107 40.791 20.287 12.799 1.00 10.97 C ATOM 828 CG2 ILE A 107 40.213 21.247 10.512 1.00 9.64 C ATOM 829 CD1 ILE A 107 41.911 19.429 12.294 1.00 12.59 C ATOM 830 N VAL A 108 37.036 22.674 11.026 1.00 11.14 N ATOM 831 CA VAL A 108 35.951 22.937 10.088 1.00 10.83 C ATOM 832 C VAL A 108 36.496 23.740 8.919 1.00 11.05 C ATOM 833 O VAL A 108 37.560 24.353 9.024 1.00 10.50 O ATOM 834 CB VAL A 108 34.782 23.764 10.753 1.00 9.58 C ATOM 835 CG1 VAL A 108 34.150 22.983 11.896 1.00 11.02 C ATOM 836 CG2 VAL A 108 35.286 25.118 11.254 1.00 10.56 C ATOM 837 N ALA A 109 35.802 23.667 7.787 1.00 11.30 N ATOM 838 CA ALA A 109 36.148 24.461 6.610 1.00 11.58 C ATOM 839 C ALA A 109 35.130 25.619 6.644 1.00 11.79 C ATOM 840 O ALA A 109 33.939 25.408 6.947 1.00 10.18 O ATOM 841 CB ALA A 109 36.006 23.643 5.318 1.00 11.33 C ATOM 842 N CYS A 110 35.599 26.830 6.361 1.00 13.15 N ATOM 843 CA CYS A 110 34.747 28.014 6.392 1.00 14.28 C ATOM 844 C CYS A 110 34.622 28.662 5.030 1.00 15.90 C ATOM 845 O CYS A 110 35.554 28.624 4.227 1.00 15.27 O ATOM 846 CB CYS A 110 35.310 29.030 7.385 1.00 15.55 C ATOM 847 SG CYS A 110 35.490 28.360 9.071 1.00 13.48 S ATOM 848 N GLU A 111 33.481 29.295 4.794 1.00 16.44 N ATOM 849 CA GLU A 111 33.220 29.971 3.523 1.00 17.88 C ATOM 850 C GLU A 111 32.245 31.111 3.720 1.00 17.62 C ATOM 851 O GLU A 111 31.543 31.174 4.727 1.00 17.33 O ATOM 852 CB GLU A 111 32.561 29.023 2.514 1.00 17.88 C ATOM 853 CG GLU A 111 33.442 27.971 1.895 1.00 24.24 C ATOM 854 CD GLU A 111 32.670 27.074 0.938 1.00 27.47 C ATOM 855 OE1 GLU A 111 31.665 27.545 0.352 1.00 31.67 O ATOM 856 OE2 GLU A 111 33.059 25.895 0.778 1.00 28.47 O ATOM 857 N GLY A 112 32.193 31.979 2.714 1.00 17.77 N ATOM 858 CA GLY A 112 31.254 33.081 2.692 1.00 17.62 C ATOM 859 C GLY A 112 31.468 34.326 3.505 1.00 17.20 C ATOM 860 O GLY A 112 32.533 34.596 4.064 1.00 16.72 O ATOM 861 N ASN A 113 30.400 35.111 3.523 1.00 19.60 N ATOM 862 CA ASN A 113 30.336 36.365 4.238 1.00 21.70 C ATOM 863 C ASN A 113 28.892 36.533 4.734 1.00 22.06 C ATOM 864 O ASN A 113 27.949 36.563 3.930 1.00 23.21 O ATOM 865 CB ASN A 113 30.736 37.503 3.307 1.00 25.86 C ATOM 866 CG ASN A 113 30.572 38.861 3.943 1.00 29.44 C ATOM 867 OD1 ASN A 113 29.796 39.688 3.453 1.00 33.42 O ATOM 868 ND2 ASN A 113 31.292 39.105 5.048 1.00 33.24 N ATOM 869 N PRO A 114 28.680 36.449 6.065 1.00 22.03 N ATOM 870 CA PRO A 114 29.701 36.210 7.100 1.00 20.01 C ATOM 871 C PRO A 114 30.443 34.869 6.895 1.00 18.95 C ATOM 872 O PRO A 114 29.876 33.911 6.360 1.00 18.15 O ATOM 873 CB PRO A 114 28.881 36.234 8.398 1.00 21.00 C ATOM 874 CG PRO A 114 27.498 35.811 7.945 1.00 22.34 C ATOM 875 CD PRO A 114 27.340 36.576 6.674 1.00 21.35 C ATOM 876 N TYR A 115 31.733 34.858 7.224 1.00 17.23 N ATOM 877 CA TYR A 115 32.605 33.685 7.078 1.00 15.68 C ATOM 878 C TYR A 115 32.225 32.639 8.136 1.00 14.68 C ATOM 879 O TYR A 115 32.644 32.742 9.298 1.00 14.71 O ATOM 880 CB TYR A 115 34.049 34.151 7.280 1.00 16.19 C ATOM 881 CG TYR A 115 35.126 33.231 6.753 1.00 16.40 C ATOM 882 CD1 TYR A 115 35.087 32.743 5.440 1.00 15.34 C ATOM 883 CD2 TYR A 115 36.221 32.889 7.553 1.00 16.36 C ATOM 884 CE1 TYR A 115 36.105 31.948 4.947 1.00 14.75 C ATOM 885 CE2 TYR A 115 37.241 32.099 7.062 1.00 15.11 C ATOM 886 CZ TYR A 115 37.178 31.632 5.760 1.00 15.45 C ATOM 887 OH TYR A 115 38.189 30.847 5.270 1.00 17.00 O ATOM 888 N VAL A 116 31.473 31.619 7.724 1.00 12.55 N ATOM 889 CA VAL A 116 30.988 30.596 8.654 1.00 11.99 C ATOM 890 C VAL A 116 31.377 29.141 8.318 1.00 11.84 C ATOM 891 O VAL A 116 31.912 28.854 7.225 1.00 12.31 O ATOM 892 CB VAL A 116 29.430 30.701 8.834 1.00 11.41 C ATOM 893 CG1 VAL A 116 29.038 32.041 9.432 1.00 9.89 C ATOM 894 CG2 VAL A 116 28.719 30.510 7.508 1.00 12.33 C ATOM 895 N PRO A 117 31.193 28.213 9.278 1.00 12.63 N ATOM 896 CA PRO A 117 31.515 26.793 9.064 1.00 12.48 C ATOM 897 C PRO A 117 30.553 26.144 8.055 1.00 13.22 C ATOM 898 O PRO A 117 29.338 26.297 8.161 1.00 12.82 O ATOM 899 CB PRO A 117 31.319 26.182 10.452 1.00 12.73 C ATOM 900 CG PRO A 117 31.597 27.318 11.376 1.00 12.25 C ATOM 901 CD PRO A 117 30.912 28.468 10.710 1.00 11.75 C ATOM 902 N VAL A 118 31.091 25.467 7.052 1.00 11.71 N ATOM 903 CA VAL A 118 30.242 24.806 6.078 1.00 13.14 C ATOM 904 C VAL A 118 30.569 23.331 5.984 1.00 13.77 C ATOM 905 O VAL A 118 29.851 22.572 5.333 1.00 13.78 O ATOM 906 CB VAL A 118 30.354 25.448 4.659 1.00 13.41 C ATOM 907 CG1 VAL A 118 29.912 26.920 4.682 1.00 13.20 C ATOM 908 CG2 VAL A 118 31.776 25.291 4.125 1.00 13.93 C ATOM 909 N HIS A 119 31.629 22.907 6.662 1.00 12.17 N ATOM 910 CA HIS A 119 32.044 21.522 6.576 1.00 12.03 C ATOM 911 C HIS A 119 32.796 21.114 7.829 1.00 11.88 C ATOM 912 O HIS A 119 33.632 21.853 8.332 1.00 12.04 O ATOM 913 CB HIS A 119 32.938 21.394 5.324 1.00 15.54 C ATOM 914 CG HIS A 119 33.745 20.144 5.271 1.00 17.78 C ATOM 915 ND1 HIS A 119 33.191 18.906 5.032 1.00 20.06 N ATOM 916 CD2 HIS A 119 35.079 19.942 5.420 1.00 21.56 C ATOM 917 CE1 HIS A 119 34.145 17.991 5.047 1.00 22.20 C ATOM 918 NE2 HIS A 119 35.299 18.599 5.282 1.00 22.30 N ATOM 919 N PHE A 120 32.455 19.966 8.375 1.00 11.72 N ATOM 920 CA PHE A 120 33.156 19.470 9.549 1.00 11.88 C ATOM 921 C PHE A 120 34.257 18.572 8.988 1.00 11.51 C ATOM 922 O PHE A 120 33.981 17.585 8.294 1.00 10.79 O ATOM 923 CB PHE A 120 32.206 18.679 10.454 1.00 12.87 C ATOM 924 CG PHE A 120 32.849 18.211 11.721 1.00 14.12 C ATOM 925 CD1 PHE A 120 33.587 17.029 11.749 1.00 12.81 C ATOM 926 CD2 PHE A 120 32.771 18.984 12.872 1.00 14.29 C ATOM 927 CE1 PHE A 120 34.246 16.622 12.898 1.00 13.62 C ATOM 928 CE2 PHE A 120 33.433 18.577 14.040 1.00 14.40 C ATOM 929 CZ PHE A 120 34.168 17.397 14.042 1.00 12.62 C ATOM 930 N ASP A 121 35.508 18.943 9.231 1.00 11.96 N ATOM 931 CA ASP A 121 36.612 18.174 8.679 1.00 10.80 C ATOM 932 C ASP A 121 37.176 17.060 9.534 1.00 12.09 C ATOM 933 O ASP A 121 37.496 15.989 9.017 1.00 13.03 O ATOM 934 CB ASP A 121 37.739 19.100 8.238 1.00 12.06 C ATOM 935 CG ASP A 121 38.648 18.446 7.203 1.00 14.53 C ATOM 936 OD1 ASP A 121 38.117 17.992 6.163 1.00 16.44 O ATOM 937 OD2 ASP A 121 39.874 18.355 7.444 1.00 15.11 O ATOM 938 N ALA A 122 37.325 17.310 10.831 1.00 11.75 N ATOM 939 CA ALA A 122 37.897 16.320 11.730 1.00 12.93 C ATOM 940 C ALA A 122 37.943 16.804 13.182 1.00 13.23 C ATOM 941 O ALA A 122 37.761 17.985 13.464 1.00 12.94 O ATOM 942 CB ALA A 122 39.336 15.974 11.269 1.00 12.74 C ATOM 943 N SER A 123 38.156 15.869 14.101 1.00 15.13 N ATOM 944 CA SER A 123 38.308 16.207 15.502 1.00 15.98 C ATOM 945 C SER A 123 39.697 15.657 15.880 1.00 17.71 C ATOM 946 O SER A 123 40.084 14.553 15.451 1.00 17.74 O ATOM 947 CB SER A 123 37.199 15.586 16.357 1.00 16.07 C ATOM 948 OG SER A 123 37.244 14.167 16.343 1.00 17.54 O ATOM 949 N VAL A 124 40.480 16.468 16.577 1.00 18.24 N ATOM 950 CA VAL A 124 41.815 16.039 16.986 1.00 20.33 C ATOM 951 C VAL A 124 42.048 16.254 18.485 1.00 20.00 C ATOM 952 O VAL A 124 42.872 15.505 19.043 1.00 23.20 O ATOM 953 CB VAL A 124 42.943 16.714 16.126 1.00 20.06 C ATOM 954 CG1 VAL A 124 42.895 16.179 14.691 1.00 20.00 C ATOM 955 CG2 VAL A 124 42.803 18.243 16.129 1.00 19.80 C ATOM 956 OXT VAL A 124 41.386 17.123 19.096 1.00 18.45 O TER 957 VAL A 124 HETATM 958 O HOH A 131 17.205 21.956 0.269 1.00 18.13 O HETATM 959 O HOH A 132 17.298 26.141 5.903 1.00 16.17 O HETATM 960 O HOH A 133 19.121 27.236 4.143 1.00 26.68 O HETATM 961 O HOH A 134 18.241 23.586 7.508 1.00 13.05 O HETATM 962 O HOH A 135 19.665 24.344 9.733 1.00 20.15 O HETATM 963 O HOH A 136 16.356 17.788 4.021 1.00 37.71 O HETATM 964 O HOH A 137 26.274 28.880 2.970 1.00 27.39 O HETATM 965 O HOH A 138 27.612 32.947 4.764 1.00 18.47 O HETATM 966 O HOH A 139 28.672 30.200 3.619 1.00 20.95 O HETATM 967 O HOH A 140 18.685 27.097 13.674 1.00 59.12 O HETATM 968 O HOH A 141 18.270 21.442 13.310 1.00 48.00 O HETATM 969 O HOH A 142 25.449 22.658 24.841 1.00 22.30 O HETATM 970 O HOH A 143 18.614 26.047 24.636 1.00 36.68 O HETATM 971 O HOH A 144 19.623 16.049 21.350 1.00 21.39 O HETATM 972 O HOH A 146 16.071 19.445 13.260 1.00 32.43 O HETATM 973 O HOH A 147 18.103 18.620 18.500 1.00 45.69 O HETATM 974 O HOH A 148 22.916 16.327 30.898 1.00 54.16 O HETATM 975 O HOH A 149 19.993 22.424 29.964 1.00 21.58 O HETATM 976 O HOH A 150 22.699 17.764 28.175 1.00 52.87 O HETATM 977 O HOH A 151 20.955 11.921 31.458 1.00 19.98 O HETATM 978 O HOH A 152 16.448 7.399 27.226 1.00 12.01 O HETATM 979 O HOH A 153 23.106 5.266 18.604 1.00 15.68 O HETATM 980 O HOH A 154 19.508 6.313 12.608 1.00 21.62 O HETATM 981 O HOH A 155 12.382 11.165 14.152 1.00 37.87 O HETATM 982 O HOH A 156 14.591 10.239 16.525 1.00 42.41 O HETATM 983 O HOH A 157 37.491 12.841 13.094 1.00 63.33 O HETATM 984 O HOH A 158 16.940 17.253 15.965 1.00 26.46 O HETATM 985 O HOH A 159 20.258 10.576 3.384 1.00 31.04 O HETATM 986 O HOH A 160 22.853 2.833 3.388 1.00 12.48 O HETATM 987 O HOH A 161 22.114 0.194 4.374 1.00 22.49 O HETATM 988 O HOH A 162 41.511 17.238 -2.747 1.00 19.60 O HETATM 989 O HOH A 163 39.075 17.916 3.630 1.00 20.91 O HETATM 990 O HOH A 164 30.098 10.330 6.266 1.00 28.94 O HETATM 991 O HOH A 166 25.637 33.975 15.556 1.00 42.49 O HETATM 992 O HOH A 167 30.839 34.001 16.689 1.00 31.55 O HETATM 993 O HOH A 168 38.281 27.313 20.416 1.00 20.81 O HETATM 994 O HOH A 169 35.300 29.033 19.955 1.00 18.27 O HETATM 995 O HOH A 170 27.377 27.183 9.798 1.00 21.18 O HETATM 996 O HOH A 171 26.035 29.236 11.028 1.00 26.92 O HETATM 997 O HOH A 172 44.352 35.446 13.840 1.00 65.51 O HETATM 998 O HOH A 173 30.167 18.565 7.226 1.00 21.86 O HETATM 999 O HOH A 174 32.138 7.178 25.136 1.00 38.09 O HETATM 1000 O HOH A 175 33.532 21.652 26.354 1.00 57.01 O HETATM 1001 O HOH A 176 29.965 1.854 7.740 1.00 37.36 O HETATM 1002 O HOH A 177 22.086 -7.659 11.714 1.00 37.30 O HETATM 1003 O HOH A 178 21.032 -2.570 16.459 1.00 42.62 O HETATM 1004 O HOH A 179 20.939 22.894 14.777 1.00 44.69 O HETATM 1005 O HOH A 182 31.838 13.868 10.412 1.00 32.69 O HETATM 1006 O HOH A 183 30.635 21.753 2.121 1.00 45.55 O HETATM 1007 O HOH A 184 19.659 29.794 5.355 1.00 28.48 O HETATM 1008 O HOH A 185 22.509 30.227 5.778 1.00 46.82 O HETATM 1009 O HOH A 186 25.311 32.196 6.522 1.00 69.78 O HETATM 1010 O HOH A 187 17.622 29.094 2.100 1.00 33.64 O HETATM 1011 O HOH A 188 20.573 32.169 9.907 1.00 38.56 O HETATM 1012 O HOH A 189 17.366 29.464 11.663 1.00 48.48 O HETATM 1013 O HOH A 191 21.712 22.959 17.741 1.00 25.34 O HETATM 1014 O HOH A 192 19.865 21.691 19.390 1.00 32.02 O HETATM 1015 O HOH A 193 15.589 13.787 23.374 1.00 59.97 O HETATM 1016 O HOH A 194 23.447 28.321 19.492 1.00 57.99 O HETATM 1017 O HOH A 195 22.033 13.872 25.246 1.00 32.32 O HETATM 1018 O HOH A 196 28.383 20.975 26.305 1.00 28.69 O HETATM 1019 O HOH A 197 22.973 1.204 17.684 1.00 33.89 O HETATM 1020 O HOH A 198 23.619 -2.019 16.207 1.00 42.33 O HETATM 1021 O HOH A 199 12.869 14.950 10.607 1.00 47.04 O HETATM 1022 O HOH A 200 23.996 12.216 2.310 1.00 48.57 O HETATM 1023 O HOH A 201 25.777 12.864 -0.993 1.00 31.38 O HETATM 1024 O HOH A 203 21.408 -7.125 14.636 1.00 38.70 O HETATM 1025 O HOH A 204 19.904 -5.222 16.324 1.00 43.12 O HETATM 1026 O HOH A 205 39.730 34.262 9.552 1.00 37.23 O HETATM 1027 O HOH A 206 37.464 14.932 5.752 1.00 35.16 O HETATM 1028 O HOH A 207 34.274 16.172 1.092 1.00 51.43 O HETATM 1029 O HOH A 208 40.412 13.838 1.865 1.00 33.48 O HETATM 1030 O HOH A 209 37.319 15.757 2.818 1.00 42.95 O HETATM 1031 O HOH A 210 34.895 13.682 15.230 1.00 39.60 O HETATM 1032 O HOH A 211 31.277 1.069 14.746 1.00 49.82 O HETATM 1033 O HOH A 214 20.567 14.318 28.144 1.00 65.73 O HETATM 1034 O HOH A 215 17.566 11.456 26.287 1.00 59.14 O HETATM 1035 O HOH A 216 24.160 -0.044 5.942 1.00 29.44 O HETATM 1036 O HOH A 217 34.970 24.098 1.950 1.00 35.21 O HETATM 1037 O HOH A 218 16.065 20.205 21.109 1.00 49.14 O HETATM 1038 O HOH A 219 9.740 3.069 12.493 1.00 52.30 O HETATM 1039 O HOH A 220 37.293 -0.076 12.109 1.00 48.02 O HETATM 1040 O HOH A 221 37.027 38.036 16.003 1.00 62.44 O HETATM 1041 O HOH A 222 46.243 18.416 6.599 1.00 24.61 O HETATM 1042 O HOH A 223 32.527 13.774 -1.310 1.00 48.90 O HETATM 1043 O HOH A 224 11.432 9.040 11.175 1.00 58.55 O HETATM 1044 O HOH A 226 37.517 12.854 9.763 1.00 37.41 O HETATM 1045 O HOH A 227 17.349 21.591 26.111 1.00 41.28 O CONECT 194 645 CONECT 311 732 CONECT 449 847 CONECT 499 550 CONECT 550 499 CONECT 645 194 CONECT 732 311 CONECT 847 449 MASTER 227 2 0 3 7 0 0 6 1044 1 8 10 END