HEADER HYDROLASE 02-MAR-99 2CDS TITLE LYSOZYME COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (LYSOZYME (E.C.3.2.1.17)); 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 KEYWDS HYDROLASE (O-GLYCOSYL) EXPDTA X-RAY DIFFRACTION AUTHOR G.J.KLEYWEGT,C.DIVNE REVDAT 4 01-DEC-09 2CDS 1 REMARK REVDAT 3 24-FEB-09 2CDS 1 VERSN REVDAT 2 02-DEC-03 2CDS 1 REMARK MASTER REVDAT 1 20-MAY-03 2CDS 0 JRNL AUTH G.J.KLEYWEGT,C.DIVNE JRNL TITL STRUCTURE OF LYSOZYME JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 0.4 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 40.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 98.4 REMARK 3 NUMBER OF REFLECTIONS : 8398 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT EXCEPT FINAL REMARK 3 ROUND REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.180 REMARK 3 FREE R VALUE : 0.224 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 : 1001 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 69 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) : 0.004 REMARK 3 BOND ANGLES (DEGREES) : 1.30 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 22.90 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.66 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 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : 0.37 REMARK 3 BSOL : 62.00 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: REMARK 3 THE AUTHOR HAS INFORMED US THAT WATER MOLECULE HOH 228 REMARK 3 COULD WELL BE A SMALL CATION INSTEAD (PROBABLY SODIUM) REMARK 4 REMARK 4 2CDS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-MAR-99. REMARK 100 THE RCSB ID CODE IS RCSB000581. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 285 REMARK 200 PH : 7 REMARK 200 NUMBER OF CRYSTALS USED : NULL 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 : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 8398 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000 REMARK 200 RESOLUTION RANGE LOW (A) : 40.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.4 REMARK 200 DATA REDUNDANCY : 12.800 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.06600 REMARK 200 FOR THE DATA SET : 8.9000 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: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: OTHER REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: 8LYZ REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 40.52 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.07 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 7 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+3/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 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 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 18.95000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.55000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.55000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 28.42500 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.55000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.55000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.47500 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.55000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.55000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 28.42500 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.55000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.55000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.47500 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 18.95000 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 ARG A 68 26.78 -143.03 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 269 DISTANCE = 5.28 ANGSTROMS DBREF 2CDS 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 *69(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 2.03 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.03 SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.03 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.03 CRYST1 79.100 79.100 37.900 90.00 90.00 90.00 P 43 21 2 8 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 0.012642 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012642 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026385 0.00000 ATOM 1 N LYS A 1 -3.310 68.995 -8.666 1.00 14.65 N ATOM 2 CA LYS A 1 -2.379 68.625 -9.771 1.00 15.36 C ATOM 3 C LYS A 1 -2.347 67.125 -10.004 1.00 16.43 C ATOM 4 O LYS A 1 -2.263 66.342 -9.053 1.00 16.53 O ATOM 5 CB LYS A 1 -0.961 69.091 -9.453 1.00 14.62 C ATOM 6 CG LYS A 1 0.059 68.617 -10.457 1.00 15.68 C ATOM 7 CD LYS A 1 1.462 69.058 -10.078 1.00 17.51 C ATOM 8 CE LYS A 1 2.477 68.618 -11.129 1.00 19.01 C ATOM 9 NZ LYS A 1 3.862 69.067 -10.794 1.00 21.99 N ATOM 10 N VAL A 2 -2.421 66.729 -11.272 1.00 16.45 N ATOM 11 CA VAL A 2 -2.365 65.317 -11.638 1.00 16.94 C ATOM 12 C VAL A 2 -0.958 65.046 -12.157 1.00 17.52 C ATOM 13 O VAL A 2 -0.588 65.498 -13.240 1.00 18.59 O ATOM 14 CB VAL A 2 -3.399 64.960 -12.734 1.00 15.64 C ATOM 15 CG1 VAL A 2 -3.290 63.487 -13.105 1.00 14.94 C ATOM 16 CG2 VAL A 2 -4.796 65.268 -12.236 1.00 15.88 C ATOM 17 N PHE A 3 -0.178 64.318 -11.366 1.00 16.92 N ATOM 18 CA PHE A 3 1.195 63.991 -11.715 1.00 16.24 C ATOM 19 C PHE A 3 1.292 62.934 -12.797 1.00 17.29 C ATOM 20 O PHE A 3 0.370 62.138 -12.993 1.00 16.90 O ATOM 21 CB PHE A 3 1.944 63.477 -10.480 1.00 16.24 C ATOM 22 CG PHE A 3 2.533 64.559 -9.623 1.00 15.72 C ATOM 23 CD1 PHE A 3 3.833 65.001 -9.842 1.00 15.38 C ATOM 24 CD2 PHE A 3 1.790 65.139 -8.599 1.00 16.19 C ATOM 25 CE1 PHE A 3 4.388 66.004 -9.055 1.00 16.19 C ATOM 26 CE2 PHE A 3 2.335 66.145 -7.802 1.00 16.18 C ATOM 27 CZ PHE A 3 3.638 66.579 -8.031 1.00 16.93 C ATOM 28 N GLY A 4 2.423 62.950 -13.500 1.00 18.60 N ATOM 29 CA GLY A 4 2.702 61.948 -14.510 1.00 17.88 C ATOM 30 C GLY A 4 3.446 60.885 -13.714 1.00 17.56 C ATOM 31 O GLY A 4 3.984 61.189 -12.648 1.00 17.47 O ATOM 32 N ARG A 5 3.483 59.651 -14.196 1.00 16.85 N ATOM 33 CA ARG A 5 4.159 58.593 -13.460 1.00 16.51 C ATOM 34 C ARG A 5 5.615 58.926 -13.115 1.00 17.48 C ATOM 35 O ARG A 5 6.010 58.902 -11.939 1.00 16.77 O ATOM 36 CB ARG A 5 4.089 57.296 -14.260 1.00 16.77 C ATOM 37 CG ARG A 5 4.784 56.120 -13.616 1.00 17.22 C ATOM 38 CD ARG A 5 4.540 54.870 -14.433 1.00 18.36 C ATOM 39 NE ARG A 5 5.072 54.988 -15.788 1.00 20.82 N ATOM 40 CZ ARG A 5 6.339 54.756 -16.122 1.00 22.73 C ATOM 41 NH1 ARG A 5 7.220 54.386 -15.201 1.00 21.71 N ATOM 42 NH2 ARG A 5 6.729 54.899 -17.382 1.00 22.28 N ATOM 43 N CYS A 6 6.411 59.244 -14.134 1.00 16.67 N ATOM 44 CA CYS A 6 7.824 59.565 -13.928 1.00 16.18 C ATOM 45 C CYS A 6 8.044 60.872 -13.185 1.00 14.91 C ATOM 46 O CYS A 6 8.994 61.007 -12.418 1.00 15.24 O ATOM 47 CB CYS A 6 8.555 59.612 -15.268 1.00 16.75 C ATOM 48 SG CYS A 6 8.736 57.996 -16.087 1.00 18.40 S ATOM 49 N GLU A 7 7.171 61.839 -13.426 1.00 14.53 N ATOM 50 CA GLU A 7 7.265 63.125 -12.759 1.00 14.45 C ATOM 51 C GLU A 7 7.122 62.925 -11.247 1.00 13.67 C ATOM 52 O GLU A 7 7.878 63.493 -10.461 1.00 12.65 O ATOM 53 CB GLU A 7 6.166 64.051 -13.273 1.00 16.23 C ATOM 54 CG GLU A 7 6.039 65.339 -12.486 1.00 18.61 C ATOM 55 CD GLU A 7 4.920 66.220 -13.001 1.00 20.55 C ATOM 56 OE1 GLU A 7 3.939 65.670 -13.557 1.00 21.99 O ATOM 57 OE2 GLU A 7 5.018 67.458 -12.836 1.00 21.16 O ATOM 58 N LEU A 8 6.148 62.112 -10.847 1.00 12.86 N ATOM 59 CA LEU A 8 5.925 61.830 -9.433 1.00 12.31 C ATOM 60 C LEU A 8 7.110 61.062 -8.842 1.00 12.25 C ATOM 61 O LEU A 8 7.562 61.361 -7.739 1.00 13.43 O ATOM 62 CB LEU A 8 4.640 61.017 -9.245 1.00 11.86 C ATOM 63 CG LEU A 8 4.365 60.624 -7.789 1.00 10.66 C ATOM 64 CD1 LEU A 8 4.172 61.886 -6.949 1.00 10.30 C ATOM 65 CD2 LEU A 8 3.144 59.724 -7.717 1.00 10.95 C ATOM 66 N ALA A 9 7.605 60.069 -9.577 1.00 12.82 N ATOM 67 CA ALA A 9 8.744 59.273 -9.125 1.00 11.47 C ATOM 68 C ALA A 9 9.923 60.174 -8.779 1.00 12.26 C ATOM 69 O ALA A 9 10.556 60.012 -7.738 1.00 12.86 O ATOM 70 CB ALA A 9 9.150 58.275 -10.208 1.00 10.83 C ATOM 71 N ALA A 10 10.209 61.129 -9.656 1.00 12.79 N ATOM 72 CA ALA A 10 11.311 62.058 -9.447 1.00 12.61 C ATOM 73 C ALA A 10 11.081 62.938 -8.221 1.00 13.10 C ATOM 74 O ALA A 10 11.997 63.182 -7.441 1.00 13.93 O ATOM 75 CB ALA A 10 11.497 62.926 -10.688 1.00 13.23 C ATOM 76 N ALA A 11 9.858 63.424 -8.051 1.00 13.72 N ATOM 77 CA ALA A 11 9.539 64.276 -6.909 1.00 13.21 C ATOM 78 C ALA A 11 9.663 63.509 -5.593 1.00 13.24 C ATOM 79 O ALA A 11 10.175 64.040 -4.610 1.00 12.06 O ATOM 80 CB ALA A 11 8.122 64.848 -7.055 1.00 14.26 C ATOM 81 N MET A 12 9.185 62.263 -5.582 1.00 13.25 N ATOM 82 CA MET A 12 9.253 61.429 -4.383 1.00 13.64 C ATOM 83 C MET A 12 10.695 61.088 -4.041 1.00 14.61 C ATOM 84 O MET A 12 11.072 61.069 -2.869 1.00 15.85 O ATOM 85 CB MET A 12 8.456 60.135 -4.572 1.00 12.41 C ATOM 86 CG MET A 12 6.960 60.350 -4.651 1.00 12.45 C ATOM 87 SD MET A 12 6.034 58.825 -4.788 1.00 13.69 S ATOM 88 CE MET A 12 4.610 59.180 -3.742 1.00 11.13 C ATOM 89 N LYS A 13 11.501 60.819 -5.063 1.00 15.34 N ATOM 90 CA LYS A 13 12.905 60.492 -4.848 1.00 16.84 C ATOM 91 C LYS A 13 13.635 61.681 -4.242 1.00 16.75 C ATOM 92 O LYS A 13 14.418 61.527 -3.305 1.00 15.23 O ATOM 93 CB LYS A 13 13.577 60.109 -6.161 1.00 18.20 C ATOM 94 CG LYS A 13 15.041 59.762 -5.991 1.00 21.65 C ATOM 95 CD LYS A 13 15.671 59.327 -7.300 1.00 24.10 C ATOM 96 CE LYS A 13 17.122 58.930 -7.085 1.00 27.19 C ATOM 97 NZ LYS A 13 17.749 58.407 -8.328 1.00 29.70 N ATOM 98 N ARG A 14 13.371 62.870 -4.780 1.00 17.58 N ATOM 99 CA ARG A 14 14.005 64.088 -4.283 1.00 19.16 C ATOM 100 C ARG A 14 13.625 64.348 -2.830 1.00 18.72 C ATOM 101 O ARG A 14 14.409 64.907 -2.070 1.00 17.06 O ATOM 102 CB ARG A 14 13.602 65.290 -5.138 1.00 21.63 C ATOM 103 CG ARG A 14 14.274 66.584 -4.715 1.00 27.44 C ATOM 104 CD ARG A 14 13.986 67.706 -5.699 1.00 31.04 C ATOM 105 NE ARG A 14 12.624 68.221 -5.576 1.00 33.63 N ATOM 106 CZ ARG A 14 12.258 69.162 -4.711 1.00 34.25 C ATOM 107 NH1 ARG A 14 13.156 69.697 -3.890 1.00 33.43 N ATOM 108 NH2 ARG A 14 10.994 69.573 -4.673 1.00 34.72 N ATOM 109 N HIS A 15 12.418 63.938 -2.448 1.00 19.08 N ATOM 110 CA HIS A 15 11.957 64.139 -1.080 1.00 19.47 C ATOM 111 C HIS A 15 12.367 63.009 -0.130 1.00 19.37 C ATOM 112 O HIS A 15 11.888 62.936 1.002 1.00 19.84 O ATOM 113 CB HIS A 15 10.441 64.350 -1.066 1.00 20.22 C ATOM 114 CG HIS A 15 10.018 65.687 -1.594 1.00 22.48 C ATOM 115 ND1 HIS A 15 10.275 66.866 -0.925 1.00 24.36 N ATOM 116 CD2 HIS A 15 9.381 66.036 -2.737 1.00 22.52 C ATOM 117 CE1 HIS A 15 9.814 67.882 -1.634 1.00 24.53 C ATOM 118 NE2 HIS A 15 9.268 67.406 -2.738 1.00 24.12 N ATOM 119 N GLY A 16 13.253 62.133 -0.603 1.00 18.93 N ATOM 120 CA GLY A 16 13.769 61.052 0.220 1.00 18.14 C ATOM 121 C GLY A 16 12.953 59.794 0.458 1.00 19.32 C ATOM 122 O GLY A 16 13.201 59.083 1.434 1.00 18.69 O ATOM 123 N LEU A 17 11.999 59.489 -0.414 1.00 18.88 N ATOM 124 CA LEU A 17 11.196 58.291 -0.215 1.00 19.38 C ATOM 125 C LEU A 17 11.821 57.016 -0.763 1.00 20.22 C ATOM 126 O LEU A 17 11.454 55.921 -0.342 1.00 21.90 O ATOM 127 CB LEU A 17 9.798 58.472 -0.813 1.00 17.14 C ATOM 128 CG LEU A 17 8.863 59.390 -0.030 1.00 15.99 C ATOM 129 CD1 LEU A 17 7.508 59.439 -0.726 1.00 15.75 C ATOM 130 CD2 LEU A 17 8.717 58.878 1.397 1.00 14.90 C ATOM 131 N ASP A 18 12.766 57.139 -1.690 1.00 21.30 N ATOM 132 CA ASP A 18 13.394 55.950 -2.262 1.00 22.04 C ATOM 133 C ASP A 18 14.151 55.156 -1.207 1.00 22.16 C ATOM 134 O ASP A 18 15.139 55.630 -0.649 1.00 21.79 O ATOM 135 CB ASP A 18 14.340 56.328 -3.402 1.00 23.82 C ATOM 136 CG ASP A 18 14.902 55.109 -4.116 1.00 26.43 C ATOM 137 OD1 ASP A 18 14.239 54.042 -4.110 1.00 26.44 O ATOM 138 OD2 ASP A 18 16.002 55.220 -4.700 1.00 29.27 O ATOM 139 N ASN A 19 13.665 53.944 -0.942 1.00 21.87 N ATOM 140 CA ASN A 19 14.243 53.043 0.050 1.00 21.69 C ATOM 141 C ASN A 19 14.007 53.500 1.488 1.00 20.96 C ATOM 142 O ASN A 19 14.650 53.009 2.414 1.00 20.27 O ATOM 143 CB ASN A 19 15.735 52.877 -0.212 1.00 24.33 C ATOM 144 CG ASN A 19 16.008 52.106 -1.474 1.00 27.23 C ATOM 145 OD1 ASN A 19 17.043 52.284 -2.119 1.00 31.14 O ATOM 146 ND2 ASN A 19 15.082 51.225 -1.834 1.00 29.10 N ATOM 147 N TYR A 20 13.085 54.440 1.677 1.00 20.19 N ATOM 148 CA TYR A 20 12.785 54.919 3.020 1.00 19.65 C ATOM 149 C TYR A 20 12.195 53.746 3.793 1.00 19.91 C ATOM 150 O TYR A 20 11.191 53.164 3.376 1.00 19.26 O ATOM 151 CB TYR A 20 11.780 56.068 2.975 1.00 18.32 C ATOM 152 CG TYR A 20 11.591 56.733 4.312 1.00 18.06 C ATOM 153 CD1 TYR A 20 12.529 57.646 4.799 1.00 18.88 C ATOM 154 CD2 TYR A 20 10.502 56.411 5.119 1.00 18.37 C ATOM 155 CE1 TYR A 20 12.385 58.220 6.067 1.00 19.51 C ATOM 156 CE2 TYR A 20 10.349 56.972 6.381 1.00 18.99 C ATOM 157 CZ TYR A 20 11.290 57.873 6.852 1.00 19.92 C ATOM 158 OH TYR A 20 11.136 58.405 8.112 1.00 21.18 O ATOM 159 N ARG A 21 12.831 53.394 4.907 1.00 20.21 N ATOM 160 CA ARG A 21 12.391 52.273 5.739 1.00 20.74 C ATOM 161 C ARG A 21 12.376 50.963 4.963 1.00 18.94 C ATOM 162 O ARG A 21 11.624 50.047 5.293 1.00 19.52 O ATOM 163 CB ARG A 21 11.000 52.540 6.322 1.00 23.55 C ATOM 164 CG ARG A 21 10.967 53.606 7.403 1.00 28.41 C ATOM 165 CD ARG A 21 11.567 53.096 8.704 1.00 33.67 C ATOM 166 NE ARG A 21 11.540 54.106 9.761 1.00 37.81 N ATOM 167 CZ ARG A 21 12.294 55.203 9.772 1.00 40.42 C ATOM 168 NH1 ARG A 21 13.147 55.441 8.780 1.00 41.65 N ATOM 169 NH2 ARG A 21 12.199 56.066 10.778 1.00 41.54 N ATOM 170 N GLY A 22 13.205 50.883 3.926 1.00 17.03 N ATOM 171 CA GLY A 22 13.294 49.666 3.135 1.00 14.90 C ATOM 172 C GLY A 22 12.325 49.508 1.979 1.00 13.44 C ATOM 173 O GLY A 22 12.304 48.463 1.335 1.00 14.26 O ATOM 174 N TYR A 23 11.523 50.529 1.702 1.00 12.98 N ATOM 175 CA TYR A 23 10.561 50.445 0.607 1.00 11.57 C ATOM 176 C TYR A 23 11.077 51.173 -0.623 1.00 11.61 C ATOM 177 O TYR A 23 11.228 52.391 -0.615 1.00 11.39 O ATOM 178 CB TYR A 23 9.218 51.043 1.037 1.00 10.48 C ATOM 179 CG TYR A 23 8.495 50.230 2.089 1.00 10.59 C ATOM 180 CD1 TYR A 23 7.715 49.128 1.736 1.00 9.60 C ATOM 181 CD2 TYR A 23 8.597 50.560 3.442 1.00 9.75 C ATOM 182 CE1 TYR A 23 7.049 48.375 2.706 1.00 10.92 C ATOM 183 CE2 TYR A 23 7.940 49.813 4.418 1.00 10.67 C ATOM 184 CZ TYR A 23 7.166 48.724 4.047 1.00 10.60 C ATOM 185 OH TYR A 23 6.515 47.994 5.022 1.00 10.10 O ATOM 186 N SER A 24 11.338 50.425 -1.685 1.00 12.05 N ATOM 187 CA SER A 24 11.840 51.017 -2.911 1.00 12.70 C ATOM 188 C SER A 24 10.847 52.011 -3.498 1.00 13.72 C ATOM 189 O SER A 24 9.644 51.942 -3.233 1.00 13.64 O ATOM 190 CB SER A 24 12.153 49.923 -3.927 1.00 13.36 C ATOM 191 OG SER A 24 11.025 49.106 -4.144 1.00 16.65 O ATOM 192 N LEU A 25 11.361 52.935 -4.302 1.00 13.19 N ATOM 193 CA LEU A 25 10.540 53.964 -4.921 1.00 12.16 C ATOM 194 C LEU A 25 9.313 53.393 -5.628 1.00 12.00 C ATOM 195 O LEU A 25 8.234 53.988 -5.585 1.00 11.21 O ATOM 196 CB LEU A 25 11.387 54.768 -5.911 1.00 13.88 C ATOM 197 CG LEU A 25 10.905 56.165 -6.307 1.00 13.26 C ATOM 198 CD1 LEU A 25 10.731 57.040 -5.068 1.00 13.55 C ATOM 199 CD2 LEU A 25 11.926 56.782 -7.255 1.00 15.36 C ATOM 200 N GLY A 26 9.477 52.242 -6.275 1.00 11.26 N ATOM 201 CA GLY A 26 8.364 51.630 -6.978 1.00 10.39 C ATOM 202 C GLY A 26 7.141 51.403 -6.107 1.00 10.64 C ATOM 203 O GLY A 26 6.012 51.480 -6.591 1.00 11.15 O ATOM 204 N ASN A 27 7.358 51.114 -4.826 1.00 9.99 N ATOM 205 CA ASN A 27 6.252 50.883 -3.895 1.00 10.84 C ATOM 206 C ASN A 27 5.417 52.143 -3.669 1.00 10.59 C ATOM 207 O ASN A 27 4.187 52.091 -3.642 1.00 9.84 O ATOM 208 CB ASN A 27 6.774 50.400 -2.544 1.00 10.96 C ATOM 209 CG ASN A 27 7.303 48.988 -2.597 1.00 13.22 C ATOM 210 OD1 ASN A 27 8.505 48.760 -2.755 1.00 15.86 O ATOM 211 ND2 ASN A 27 6.407 48.026 -2.475 1.00 9.73 N ATOM 212 N TRP A 28 6.104 53.272 -3.508 1.00 10.90 N ATOM 213 CA TRP A 28 5.459 54.563 -3.272 1.00 10.47 C ATOM 214 C TRP A 28 4.674 55.078 -4.472 1.00 10.18 C ATOM 215 O TRP A 28 3.600 55.654 -4.309 1.00 10.08 O ATOM 216 CB TRP A 28 6.505 55.604 -2.861 1.00 9.96 C ATOM 217 CG TRP A 28 7.191 55.261 -1.588 1.00 11.28 C ATOM 218 CD1 TRP A 28 8.414 54.678 -1.446 1.00 12.06 C ATOM 219 CD2 TRP A 28 6.666 55.424 -0.265 1.00 13.01 C ATOM 220 NE1 TRP A 28 8.686 54.464 -0.115 1.00 11.87 N ATOM 221 CE2 TRP A 28 7.630 54.912 0.633 1.00 12.93 C ATOM 222 CE3 TRP A 28 5.470 55.954 0.251 1.00 13.03 C ATOM 223 CZ2 TRP A 28 7.438 54.912 2.023 1.00 13.91 C ATOM 224 CZ3 TRP A 28 5.280 55.952 1.633 1.00 13.82 C ATOM 225 CH2 TRP A 28 6.260 55.433 2.502 1.00 14.07 C ATOM 226 N VAL A 29 5.218 54.888 -5.672 1.00 9.27 N ATOM 227 CA VAL A 29 4.548 55.331 -6.887 1.00 8.95 C ATOM 228 C VAL A 29 3.333 54.436 -7.114 1.00 9.49 C ATOM 229 O VAL A 29 2.269 54.909 -7.506 1.00 9.91 O ATOM 230 CB VAL A 29 5.495 55.256 -8.115 1.00 10.44 C ATOM 231 CG1 VAL A 29 4.746 55.642 -9.388 1.00 11.15 C ATOM 232 CG2 VAL A 29 6.687 56.184 -7.908 1.00 8.43 C ATOM 233 N CYS A 30 3.488 53.142 -6.852 1.00 9.73 N ATOM 234 CA CYS A 30 2.385 52.202 -7.022 1.00 10.18 C ATOM 235 C CYS A 30 1.233 52.549 -6.071 1.00 10.00 C ATOM 236 O CYS A 30 0.064 52.524 -6.464 1.00 9.22 O ATOM 237 CB CYS A 30 2.861 50.765 -6.762 1.00 9.14 C ATOM 238 SG CYS A 30 1.568 49.512 -7.041 1.00 11.33 S ATOM 239 N ALA A 31 1.570 52.871 -4.821 1.00 10.32 N ATOM 240 CA ALA A 31 0.570 53.228 -3.816 1.00 11.02 C ATOM 241 C ALA A 31 -0.193 54.493 -4.213 1.00 11.45 C ATOM 242 O ALA A 31 -1.423 54.539 -4.105 1.00 11.96 O ATOM 243 CB ALA A 31 1.238 53.430 -2.453 1.00 10.44 C ATOM 244 N ALA A 32 0.538 55.516 -4.659 1.00 10.33 N ATOM 245 CA ALA A 32 -0.077 56.773 -5.080 1.00 10.57 C ATOM 246 C ALA A 32 -1.010 56.517 -6.260 1.00 10.84 C ATOM 247 O ALA A 32 -2.127 57.029 -6.307 1.00 11.29 O ATOM 248 CB ALA A 32 1.005 57.792 -5.469 1.00 10.13 C ATOM 249 N LYS A 33 -0.546 55.716 -7.212 1.00 9.97 N ATOM 250 CA LYS A 33 -1.342 55.378 -8.383 1.00 10.42 C ATOM 251 C LYS A 33 -2.702 54.816 -8.000 1.00 11.56 C ATOM 252 O LYS A 33 -3.726 55.284 -8.474 1.00 13.17 O ATOM 253 CB LYS A 33 -0.609 54.347 -9.241 1.00 11.76 C ATOM 254 CG LYS A 33 -1.475 53.702 -10.306 1.00 12.32 C ATOM 255 CD LYS A 33 -1.945 54.713 -11.330 1.00 13.44 C ATOM 256 CE LYS A 33 -2.861 54.060 -12.341 1.00 15.90 C ATOM 257 NZ LYS A 33 -3.315 55.041 -13.358 1.00 17.21 N ATOM 258 N PHE A 34 -2.714 53.814 -7.129 1.00 12.52 N ATOM 259 CA PHE A 34 -3.969 53.194 -6.740 1.00 13.51 C ATOM 260 C PHE A 34 -4.716 53.859 -5.597 1.00 13.90 C ATOM 261 O PHE A 34 -5.878 53.539 -5.356 1.00 15.95 O ATOM 262 CB PHE A 34 -3.743 51.705 -6.465 1.00 12.09 C ATOM 263 CG PHE A 34 -3.340 50.935 -7.693 1.00 13.16 C ATOM 264 CD1 PHE A 34 -2.164 50.188 -7.715 1.00 13.26 C ATOM 265 CD2 PHE A 34 -4.116 50.999 -8.848 1.00 12.39 C ATOM 266 CE1 PHE A 34 -1.761 49.514 -8.874 1.00 15.11 C ATOM 267 CE2 PHE A 34 -3.727 50.333 -10.009 1.00 14.77 C ATOM 268 CZ PHE A 34 -2.543 49.587 -10.024 1.00 14.28 C ATOM 269 N GLU A 35 -4.069 54.788 -4.902 1.00 13.21 N ATOM 270 CA GLU A 35 -4.737 55.500 -3.816 1.00 13.55 C ATOM 271 C GLU A 35 -5.470 56.733 -4.351 1.00 14.05 C ATOM 272 O GLU A 35 -6.609 56.998 -3.975 1.00 13.06 O ATOM 273 CB GLU A 35 -3.729 55.960 -2.754 1.00 13.12 C ATOM 274 CG GLU A 35 -3.226 54.870 -1.818 1.00 13.94 C ATOM 275 CD GLU A 35 -4.316 54.327 -0.899 1.00 16.26 C ATOM 276 OE1 GLU A 35 -5.386 54.966 -0.777 1.00 16.24 O ATOM 277 OE2 GLU A 35 -4.099 53.259 -0.285 1.00 17.03 O ATOM 278 N SER A 36 -4.822 57.471 -5.247 1.00 13.61 N ATOM 279 CA SER A 36 -5.398 58.705 -5.778 1.00 13.56 C ATOM 280 C SER A 36 -5.306 58.873 -7.290 1.00 14.54 C ATOM 281 O SER A 36 -5.764 59.881 -7.831 1.00 14.74 O ATOM 282 CB SER A 36 -4.672 59.880 -5.158 1.00 13.32 C ATOM 283 OG SER A 36 -3.342 59.891 -5.649 1.00 12.08 O ATOM 284 N ASN A 37 -4.695 57.908 -7.966 1.00 14.65 N ATOM 285 CA ASN A 37 -4.515 57.986 -9.410 1.00 15.31 C ATOM 286 C ASN A 37 -3.635 59.192 -9.738 1.00 14.35 C ATOM 287 O ASN A 37 -3.829 59.860 -10.754 1.00 13.91 O ATOM 288 CB ASN A 37 -5.865 58.112 -10.121 1.00 16.50 C ATOM 289 CG ASN A 37 -5.751 57.893 -11.611 1.00 19.17 C ATOM 290 OD1 ASN A 37 -5.214 56.883 -12.057 1.00 20.92 O ATOM 291 ND2 ASN A 37 -6.252 58.837 -12.389 1.00 22.66 N ATOM 292 N PHE A 38 -2.674 59.457 -8.853 1.00 12.92 N ATOM 293 CA PHE A 38 -1.720 60.557 -8.993 1.00 12.93 C ATOM 294 C PHE A 38 -2.320 61.960 -8.881 1.00 12.64 C ATOM 295 O PHE A 38 -1.671 62.938 -9.250 1.00 11.93 O ATOM 296 CB PHE A 38 -0.974 60.461 -10.329 1.00 12.67 C ATOM 297 CG PHE A 38 -0.212 59.181 -10.523 1.00 12.75 C ATOM 298 CD1 PHE A 38 0.454 58.573 -9.461 1.00 12.46 C ATOM 299 CD2 PHE A 38 -0.091 58.624 -11.797 1.00 13.45 C ATOM 300 CE1 PHE A 38 1.236 57.431 -9.665 1.00 13.22 C ATOM 301 CE2 PHE A 38 0.687 57.485 -12.014 1.00 14.25 C ATOM 302 CZ PHE A 38 1.354 56.887 -10.945 1.00 13.77 C ATOM 303 N ASN A 39 -3.544 62.059 -8.369 1.00 12.57 N ATOM 304 CA ASN A 39 -4.228 63.350 -8.225 1.00 11.80 C ATOM 305 C ASN A 39 -4.061 63.885 -6.800 1.00 10.78 C ATOM 306 O ASN A 39 -4.558 63.284 -5.847 1.00 10.46 O ATOM 307 CB ASN A 39 -5.715 63.170 -8.554 1.00 11.74 C ATOM 308 CG ASN A 39 -6.488 64.481 -8.581 1.00 12.99 C ATOM 309 OD1 ASN A 39 -5.946 65.560 -8.304 1.00 12.98 O ATOM 310 ND2 ASN A 39 -7.771 64.391 -8.922 1.00 13.83 N ATOM 311 N THR A 40 -3.371 65.015 -6.658 1.00 9.68 N ATOM 312 CA THR A 40 -3.131 65.607 -5.342 1.00 11.44 C ATOM 313 C THR A 40 -4.400 66.089 -4.642 1.00 12.16 C ATOM 314 O THR A 40 -4.414 66.257 -3.422 1.00 13.29 O ATOM 315 CB THR A 40 -2.159 66.821 -5.415 1.00 12.38 C ATOM 316 OG1 THR A 40 -2.757 67.867 -6.195 1.00 13.55 O ATOM 317 CG2 THR A 40 -0.823 66.418 -6.032 1.00 12.10 C ATOM 318 N GLN A 41 -5.462 66.309 -5.409 1.00 11.39 N ATOM 319 CA GLN A 41 -6.708 66.806 -4.845 1.00 11.73 C ATOM 320 C GLN A 41 -7.736 65.735 -4.500 1.00 12.17 C ATOM 321 O GLN A 41 -8.852 66.058 -4.107 1.00 13.16 O ATOM 322 CB GLN A 41 -7.350 67.808 -5.810 1.00 13.02 C ATOM 323 CG GLN A 41 -6.494 69.020 -6.139 1.00 12.37 C ATOM 324 CD GLN A 41 -7.285 70.099 -6.867 1.00 15.73 C ATOM 325 OE1 GLN A 41 -8.141 70.762 -6.275 1.00 17.31 O ATOM 326 NE2 GLN A 41 -7.012 70.269 -8.157 1.00 15.09 N ATOM 327 N ALA A 42 -7.376 64.467 -4.634 1.00 10.46 N ATOM 328 CA ALA A 42 -8.329 63.408 -4.337 1.00 11.60 C ATOM 329 C ALA A 42 -8.753 63.379 -2.866 1.00 12.45 C ATOM 330 O ALA A 42 -7.924 63.518 -1.966 1.00 12.05 O ATOM 331 CB ALA A 42 -7.742 62.054 -4.735 1.00 11.89 C ATOM 332 N THR A 43 -10.054 63.208 -2.637 1.00 12.31 N ATOM 333 CA THR A 43 -10.604 63.107 -1.291 1.00 13.23 C ATOM 334 C THR A 43 -11.655 62.013 -1.295 1.00 13.87 C ATOM 335 O THR A 43 -12.372 61.842 -2.279 1.00 13.92 O ATOM 336 CB THR A 43 -11.289 64.409 -0.824 1.00 13.91 C ATOM 337 OG1 THR A 43 -12.350 64.747 -1.729 1.00 13.48 O ATOM 338 CG2 THR A 43 -10.283 65.552 -0.743 1.00 13.80 C ATOM 339 N ASN A 44 -11.737 61.270 -0.197 1.00 14.57 N ATOM 340 CA ASN A 44 -12.719 60.198 -0.058 1.00 16.29 C ATOM 341 C ASN A 44 -13.160 60.078 1.389 1.00 15.52 C ATOM 342 O ASN A 44 -12.335 59.964 2.294 1.00 14.43 O ATOM 343 CB ASN A 44 -12.135 58.866 -0.537 1.00 18.66 C ATOM 344 CG ASN A 44 -12.016 58.794 -2.052 1.00 22.15 C ATOM 345 OD1 ASN A 44 -13.024 58.734 -2.764 1.00 23.85 O ATOM 346 ND2 ASN A 44 -10.782 58.810 -2.554 1.00 22.55 N ATOM 347 N ARG A 45 -14.469 60.114 1.603 1.00 16.71 N ATOM 348 CA ARG A 45 -15.018 60.012 2.943 1.00 18.47 C ATOM 349 C ARG A 45 -15.247 58.552 3.314 1.00 19.27 C ATOM 350 O ARG A 45 -15.663 57.750 2.481 1.00 18.65 O ATOM 351 CB ARG A 45 -16.335 60.781 3.034 1.00 20.79 C ATOM 352 CG ARG A 45 -17.024 60.611 4.379 1.00 25.19 C ATOM 353 CD ARG A 45 -16.764 61.767 5.330 1.00 27.96 C ATOM 354 NE ARG A 45 -17.752 62.828 5.148 1.00 32.29 N ATOM 355 CZ ARG A 45 -18.167 63.637 6.119 1.00 32.95 C ATOM 356 NH1 ARG A 45 -17.681 63.511 7.350 1.00 32.08 N ATOM 357 NH2 ARG A 45 -19.072 64.574 5.861 1.00 34.36 N ATOM 358 N ASN A 46 -14.981 58.220 4.572 1.00 19.19 N ATOM 359 CA ASN A 46 -15.148 56.858 5.061 1.00 20.96 C ATOM 360 C ASN A 46 -16.381 56.746 5.956 1.00 21.50 C ATOM 361 O ASN A 46 -16.847 57.741 6.507 1.00 21.12 O ATOM 362 CB ASN A 46 -13.892 56.442 5.822 1.00 21.48 C ATOM 363 CG ASN A 46 -12.634 56.634 4.996 1.00 22.51 C ATOM 364 OD1 ASN A 46 -12.503 56.063 3.917 1.00 24.64 O ATOM 365 ND2 ASN A 46 -11.706 57.446 5.494 1.00 22.85 N ATOM 366 N THR A 47 -16.901 55.533 6.104 1.00 23.29 N ATOM 367 CA THR A 47 -18.100 55.314 6.912 1.00 24.93 C ATOM 368 C THR A 47 -17.995 55.797 8.351 1.00 24.20 C ATOM 369 O THR A 47 -18.998 56.187 8.944 1.00 25.06 O ATOM 370 CB THR A 47 -18.506 53.827 6.932 1.00 26.64 C ATOM 371 OG1 THR A 47 -17.400 53.034 7.377 1.00 29.98 O ATOM 372 CG2 THR A 47 -18.930 53.375 5.547 1.00 26.94 C ATOM 373 N ASP A 48 -16.795 55.780 8.919 1.00 23.05 N ATOM 374 CA ASP A 48 -16.639 56.227 10.297 1.00 22.57 C ATOM 375 C ASP A 48 -16.646 57.753 10.413 1.00 21.66 C ATOM 376 O ASP A 48 -16.520 58.300 11.508 1.00 22.39 O ATOM 377 CB ASP A 48 -15.359 55.643 10.911 1.00 23.12 C ATOM 378 CG ASP A 48 -14.094 56.251 10.336 1.00 24.65 C ATOM 379 OD1 ASP A 48 -14.158 56.890 9.268 1.00 26.03 O ATOM 380 OD2 ASP A 48 -13.024 56.077 10.952 1.00 25.39 O ATOM 381 N GLY A 49 -16.800 58.443 9.285 1.00 20.11 N ATOM 382 CA GLY A 49 -16.841 59.893 9.319 1.00 17.18 C ATOM 383 C GLY A 49 -15.535 60.588 8.987 1.00 17.22 C ATOM 384 O GLY A 49 -15.520 61.797 8.739 1.00 17.23 O ATOM 385 N SER A 50 -14.433 59.844 8.994 1.00 15.20 N ATOM 386 CA SER A 50 -13.140 60.427 8.668 1.00 12.97 C ATOM 387 C SER A 50 -13.048 60.561 7.148 1.00 12.19 C ATOM 388 O SER A 50 -13.899 60.060 6.419 1.00 12.65 O ATOM 389 CB SER A 50 -12.009 59.543 9.191 1.00 13.21 C ATOM 390 OG SER A 50 -11.999 58.287 8.535 1.00 14.38 O ATOM 391 N THR A 51 -12.017 61.246 6.674 1.00 12.00 N ATOM 392 CA THR A 51 -11.827 61.453 5.240 1.00 11.53 C ATOM 393 C THR A 51 -10.353 61.232 4.886 1.00 11.62 C ATOM 394 O THR A 51 -9.470 61.509 5.706 1.00 10.76 O ATOM 395 CB THR A 51 -12.240 62.899 4.834 1.00 11.08 C ATOM 396 OG1 THR A 51 -13.604 63.143 5.219 1.00 9.94 O ATOM 397 CG2 THR A 51 -12.103 63.097 3.334 1.00 10.14 C ATOM 398 N ASP A 52 -10.091 60.717 3.685 1.00 11.48 N ATOM 399 CA ASP A 52 -8.718 60.489 3.226 1.00 11.99 C ATOM 400 C ASP A 52 -8.339 61.619 2.281 1.00 11.64 C ATOM 401 O ASP A 52 -9.131 62.000 1.423 1.00 11.43 O ATOM 402 CB ASP A 52 -8.597 59.151 2.505 1.00 13.58 C ATOM 403 CG ASP A 52 -9.054 57.994 3.362 1.00 17.03 C ATOM 404 OD1 ASP A 52 -8.829 58.035 4.589 1.00 17.90 O ATOM 405 OD2 ASP A 52 -9.633 57.040 2.811 1.00 22.33 O ATOM 406 N TYR A 53 -7.124 62.139 2.425 1.00 11.71 N ATOM 407 CA TYR A 53 -6.691 63.271 1.613 1.00 12.10 C ATOM 408 C TYR A 53 -5.384 63.144 0.854 1.00 12.61 C ATOM 409 O TYR A 53 -4.398 62.594 1.350 1.00 13.19 O ATOM 410 CB TYR A 53 -6.555 64.523 2.482 1.00 12.02 C ATOM 411 CG TYR A 53 -7.795 64.953 3.218 1.00 12.04 C ATOM 412 CD1 TYR A 53 -8.207 64.297 4.382 1.00 10.99 C ATOM 413 CD2 TYR A 53 -8.555 66.031 2.760 1.00 11.02 C ATOM 414 CE1 TYR A 53 -9.352 64.710 5.077 1.00 11.66 C ATOM 415 CE2 TYR A 53 -9.698 66.447 3.442 1.00 12.57 C ATOM 416 CZ TYR A 53 -10.090 65.785 4.597 1.00 11.76 C ATOM 417 OH TYR A 53 -11.216 66.208 5.265 1.00 13.00 O ATOM 418 N GLY A 54 -5.384 63.695 -0.352 1.00 12.36 N ATOM 419 CA GLY A 54 -4.179 63.724 -1.152 1.00 11.39 C ATOM 420 C GLY A 54 -3.769 62.528 -1.973 1.00 11.19 C ATOM 421 O GLY A 54 -4.464 61.513 -2.074 1.00 9.83 O ATOM 422 N ILE A 55 -2.586 62.676 -2.549 1.00 11.09 N ATOM 423 CA ILE A 55 -2.000 61.683 -3.408 1.00 12.83 C ATOM 424 C ILE A 55 -1.807 60.335 -2.708 1.00 12.35 C ATOM 425 O ILE A 55 -1.853 59.290 -3.354 1.00 11.66 O ATOM 426 CB ILE A 55 -0.673 62.246 -3.986 1.00 15.68 C ATOM 427 CG1 ILE A 55 -0.282 61.472 -5.240 1.00 17.84 C ATOM 428 CG2 ILE A 55 0.419 62.236 -2.919 1.00 16.21 C ATOM 429 CD1 ILE A 55 0.533 62.291 -6.204 1.00 21.23 C ATOM 430 N LEU A 56 -1.608 60.355 -1.393 1.00 11.99 N ATOM 431 CA LEU A 56 -1.438 59.115 -0.645 1.00 12.40 C ATOM 432 C LEU A 56 -2.623 58.823 0.271 1.00 12.24 C ATOM 433 O LEU A 56 -2.562 57.944 1.125 1.00 11.58 O ATOM 434 CB LEU A 56 -0.131 59.130 0.155 1.00 14.46 C ATOM 435 CG LEU A 56 1.158 58.935 -0.669 1.00 14.43 C ATOM 436 CD1 LEU A 56 2.371 58.984 0.242 1.00 14.67 C ATOM 437 CD2 LEU A 56 1.111 57.602 -1.406 1.00 14.84 C ATOM 438 N GLN A 57 -3.707 59.568 0.077 1.00 12.27 N ATOM 439 CA GLN A 57 -4.935 59.370 0.839 1.00 11.90 C ATOM 440 C GLN A 57 -4.734 59.211 2.340 1.00 12.25 C ATOM 441 O GLN A 57 -5.128 58.203 2.921 1.00 12.67 O ATOM 442 CB GLN A 57 -5.674 58.147 0.292 1.00 11.70 C ATOM 443 CG GLN A 57 -6.249 58.364 -1.093 1.00 10.80 C ATOM 444 CD GLN A 57 -7.389 59.361 -1.079 1.00 12.55 C ATOM 445 OE1 GLN A 57 -8.545 58.997 -0.844 1.00 12.36 O ATOM 446 NE2 GLN A 57 -7.069 60.633 -1.312 1.00 11.14 N ATOM 447 N ILE A 58 -4.131 60.211 2.964 1.00 12.41 N ATOM 448 CA ILE A 58 -3.892 60.170 4.395 1.00 12.85 C ATOM 449 C ILE A 58 -5.189 60.479 5.151 1.00 13.47 C ATOM 450 O ILE A 58 -5.909 61.427 4.823 1.00 12.03 O ATOM 451 CB ILE A 58 -2.752 61.135 4.748 1.00 14.24 C ATOM 452 CG1 ILE A 58 -1.453 60.579 4.149 1.00 13.61 C ATOM 453 CG2 ILE A 58 -2.645 61.323 6.261 1.00 13.59 C ATOM 454 CD1 ILE A 58 -0.256 61.484 4.316 1.00 15.79 C ATOM 455 N ASN A 59 -5.468 59.655 6.162 1.00 14.05 N ATOM 456 CA ASN A 59 -6.694 59.725 6.964 1.00 14.85 C ATOM 457 C ASN A 59 -6.729 60.743 8.106 1.00 14.88 C ATOM 458 O ASN A 59 -5.779 60.866 8.881 1.00 15.07 O ATOM 459 CB ASN A 59 -7.008 58.316 7.495 1.00 14.65 C ATOM 460 CG ASN A 59 -8.369 58.224 8.156 1.00 15.03 C ATOM 461 OD1 ASN A 59 -8.496 58.389 9.364 1.00 17.53 O ATOM 462 ND2 ASN A 59 -9.394 57.968 7.361 1.00 16.04 N ATOM 463 N SER A 60 -7.858 61.442 8.213 1.00 14.81 N ATOM 464 CA SER A 60 -8.060 62.481 9.223 1.00 16.59 C ATOM 465 C SER A 60 -8.322 61.990 10.639 1.00 18.31 C ATOM 466 O SER A 60 -8.341 62.786 11.572 1.00 19.87 O ATOM 467 CB SER A 60 -9.219 63.397 8.816 1.00 15.40 C ATOM 468 OG SER A 60 -10.458 62.701 8.853 1.00 14.09 O ATOM 469 N ARG A 61 -8.543 60.697 10.820 1.00 20.02 N ATOM 470 CA ARG A 61 -8.801 60.211 12.169 1.00 23.95 C ATOM 471 C ARG A 61 -7.535 60.232 13.024 1.00 23.03 C ATOM 472 O ARG A 61 -7.610 60.400 14.241 1.00 22.85 O ATOM 473 CB ARG A 61 -9.382 58.795 12.121 1.00 27.66 C ATOM 474 CG ARG A 61 -9.849 58.242 13.466 1.00 33.59 C ATOM 475 CD ARG A 61 -10.582 56.920 13.255 1.00 40.03 C ATOM 476 NE ARG A 61 -10.850 56.199 14.500 1.00 46.03 N ATOM 477 CZ ARG A 61 -11.446 55.006 14.568 1.00 48.26 C ATOM 478 NH1 ARG A 61 -11.847 54.384 13.461 1.00 48.66 N ATOM 479 NH2 ARG A 61 -11.636 54.425 15.750 1.00 49.45 N ATOM 480 N TRP A 62 -6.374 60.099 12.382 1.00 22.51 N ATOM 481 CA TRP A 62 -5.107 60.063 13.103 1.00 21.81 C ATOM 482 C TRP A 62 -4.029 61.047 12.685 1.00 19.92 C ATOM 483 O TRP A 62 -3.277 61.543 13.520 1.00 19.07 O ATOM 484 CB TRP A 62 -4.475 58.673 12.986 1.00 25.97 C ATOM 485 CG TRP A 62 -5.348 57.537 13.399 1.00 33.12 C ATOM 486 CD1 TRP A 62 -6.111 56.742 12.585 1.00 34.55 C ATOM 487 CD2 TRP A 62 -5.558 57.066 14.736 1.00 36.08 C ATOM 488 NE1 TRP A 62 -6.783 55.801 13.339 1.00 36.78 N ATOM 489 CE2 TRP A 62 -6.463 55.979 14.660 1.00 37.40 C ATOM 490 CE3 TRP A 62 -5.069 57.458 15.992 1.00 38.41 C ATOM 491 CZ2 TRP A 62 -6.888 55.276 15.797 1.00 39.01 C ATOM 492 CZ3 TRP A 62 -5.491 56.760 17.125 1.00 39.80 C ATOM 493 CH2 TRP A 62 -6.394 55.681 17.017 1.00 40.64 C ATOM 494 N TRP A 63 -3.957 61.334 11.392 1.00 18.57 N ATOM 495 CA TRP A 63 -2.870 62.151 10.871 1.00 17.36 C ATOM 496 C TRP A 63 -2.984 63.634 10.609 1.00 16.60 C ATOM 497 O TRP A 63 -1.982 64.337 10.665 1.00 17.44 O ATOM 498 CB TRP A 63 -2.348 61.466 9.612 1.00 16.89 C ATOM 499 CG TRP A 63 -2.127 60.011 9.852 1.00 16.96 C ATOM 500 CD1 TRP A 63 -2.900 58.977 9.407 1.00 17.28 C ATOM 501 CD2 TRP A 63 -1.100 59.427 10.662 1.00 16.85 C ATOM 502 NE1 TRP A 63 -2.420 57.783 9.891 1.00 16.65 N ATOM 503 CE2 TRP A 63 -1.314 58.030 10.664 1.00 17.59 C ATOM 504 CE3 TRP A 63 -0.018 59.950 11.387 1.00 16.37 C ATOM 505 CZ2 TRP A 63 -0.481 57.142 11.368 1.00 16.74 C ATOM 506 CZ3 TRP A 63 0.808 59.072 12.085 1.00 16.14 C ATOM 507 CH2 TRP A 63 0.569 57.681 12.070 1.00 17.21 C ATOM 508 N CYS A 64 -4.171 64.125 10.303 1.00 15.36 N ATOM 509 CA CYS A 64 -4.312 65.544 10.023 1.00 15.49 C ATOM 510 C CYS A 64 -5.638 66.031 10.579 1.00 15.85 C ATOM 511 O CYS A 64 -6.512 65.230 10.915 1.00 16.15 O ATOM 512 CB CYS A 64 -4.246 65.789 8.507 1.00 13.17 C ATOM 513 SG CYS A 64 -5.558 64.936 7.571 1.00 14.74 S ATOM 514 N ASN A 65 -5.790 67.345 10.671 1.00 16.07 N ATOM 515 CA ASN A 65 -7.016 67.923 11.195 1.00 16.88 C ATOM 516 C ASN A 65 -7.872 68.548 10.094 1.00 15.99 C ATOM 517 O ASN A 65 -7.391 69.396 9.339 1.00 15.69 O ATOM 518 CB ASN A 65 -6.676 68.985 12.251 1.00 18.60 C ATOM 519 CG ASN A 65 -7.914 69.636 12.850 1.00 21.48 C ATOM 520 OD1 ASN A 65 -8.722 68.979 13.499 1.00 23.66 O ATOM 521 ND2 ASN A 65 -8.069 70.933 12.625 1.00 24.37 N ATOM 522 N ASP A 66 -9.133 68.117 9.993 1.00 15.45 N ATOM 523 CA ASP A 66 -10.053 68.683 9.007 1.00 14.75 C ATOM 524 C ASP A 66 -11.261 69.329 9.685 1.00 15.13 C ATOM 525 O ASP A 66 -12.219 69.731 9.026 1.00 15.92 O ATOM 526 CB ASP A 66 -10.509 67.633 7.981 1.00 13.49 C ATOM 527 CG ASP A 66 -11.305 66.494 8.592 1.00 13.58 C ATOM 528 OD1 ASP A 66 -11.567 66.501 9.815 1.00 13.70 O ATOM 529 OD2 ASP A 66 -11.670 65.580 7.823 1.00 12.77 O ATOM 530 N GLY A 67 -11.200 69.426 11.009 1.00 15.12 N ATOM 531 CA GLY A 67 -12.260 70.058 11.776 1.00 16.03 C ATOM 532 C GLY A 67 -13.605 69.363 11.816 1.00 17.19 C ATOM 533 O GLY A 67 -14.573 69.937 12.308 1.00 18.42 O ATOM 534 N ARG A 68 -13.687 68.135 11.316 1.00 16.92 N ATOM 535 CA ARG A 68 -14.962 67.437 11.325 1.00 17.62 C ATOM 536 C ARG A 68 -14.840 65.945 11.596 1.00 18.41 C ATOM 537 O ARG A 68 -15.678 65.162 11.156 1.00 19.50 O ATOM 538 CB ARG A 68 -15.698 67.661 10.000 1.00 17.85 C ATOM 539 CG ARG A 68 -15.060 66.982 8.806 1.00 18.52 C ATOM 540 CD ARG A 68 -15.936 67.123 7.568 1.00 20.23 C ATOM 541 NE ARG A 68 -15.558 66.175 6.522 1.00 22.15 N ATOM 542 CZ ARG A 68 -16.094 66.149 5.304 1.00 23.05 C ATOM 543 NH1 ARG A 68 -17.038 67.026 4.974 1.00 23.33 N ATOM 544 NH2 ARG A 68 -15.694 65.240 4.416 1.00 21.45 N ATOM 545 N THR A 69 -13.786 65.551 12.303 1.00 19.77 N ATOM 546 CA THR A 69 -13.588 64.148 12.662 1.00 20.98 C ATOM 547 C THR A 69 -13.445 64.160 14.185 1.00 23.21 C ATOM 548 O THR A 69 -12.346 64.321 14.718 1.00 23.82 O ATOM 549 CB THR A 69 -12.307 63.547 12.011 1.00 18.77 C ATOM 550 OG1 THR A 69 -12.284 63.856 10.612 1.00 15.35 O ATOM 551 CG2 THR A 69 -12.297 62.029 12.161 1.00 16.22 C ATOM 552 N PRO A 70 -14.570 64.014 14.903 1.00 25.97 N ATOM 553 CA PRO A 70 -14.650 64.005 16.370 1.00 28.05 C ATOM 554 C PRO A 70 -13.661 63.082 17.075 1.00 30.01 C ATOM 555 O PRO A 70 -13.536 61.905 16.728 1.00 30.36 O ATOM 556 CB PRO A 70 -16.095 63.590 16.635 1.00 28.38 C ATOM 557 CG PRO A 70 -16.823 64.165 15.454 1.00 28.95 C ATOM 558 CD PRO A 70 -15.904 63.794 14.312 1.00 27.06 C ATOM 559 N GLY A 71 -12.969 63.628 18.073 1.00 31.88 N ATOM 560 CA GLY A 71 -12.011 62.850 18.839 1.00 32.59 C ATOM 561 C GLY A 71 -10.927 62.173 18.026 1.00 33.07 C ATOM 562 O GLY A 71 -10.528 61.045 18.326 1.00 34.45 O ATOM 563 N SER A 72 -10.447 62.854 16.992 1.00 32.49 N ATOM 564 CA SER A 72 -9.389 62.310 16.153 1.00 31.73 C ATOM 565 C SER A 72 -8.078 62.972 16.547 1.00 31.58 C ATOM 566 O SER A 72 -8.069 63.985 17.248 1.00 30.60 O ATOM 567 CB SER A 72 -9.678 62.591 14.680 1.00 32.07 C ATOM 568 OG SER A 72 -9.701 63.985 14.429 1.00 31.40 O ATOM 569 N ARG A 73 -6.968 62.398 16.100 1.00 30.71 N ATOM 570 CA ARG A 73 -5.666 62.964 16.415 1.00 30.94 C ATOM 571 C ARG A 73 -5.098 63.669 15.188 1.00 29.20 C ATOM 572 O ARG A 73 -5.585 63.488 14.067 1.00 30.56 O ATOM 573 CB ARG A 73 -4.703 61.870 16.872 1.00 33.63 C ATOM 574 CG ARG A 73 -5.217 61.031 18.026 1.00 38.26 C ATOM 575 CD ARG A 73 -4.127 60.104 18.516 1.00 43.35 C ATOM 576 NE ARG A 73 -4.628 59.062 19.406 1.00 47.78 N ATOM 577 CZ ARG A 73 -3.848 58.170 20.010 1.00 50.32 C ATOM 578 NH1 ARG A 73 -2.533 58.204 19.818 1.00 50.74 N ATOM 579 NH2 ARG A 73 -4.377 57.239 20.796 1.00 51.42 N ATOM 580 N ASN A 74 -4.075 64.481 15.408 1.00 25.52 N ATOM 581 CA ASN A 74 -3.435 65.208 14.330 1.00 22.94 C ATOM 582 C ASN A 74 -1.938 64.975 14.488 1.00 22.09 C ATOM 583 O ASN A 74 -1.169 65.911 14.725 1.00 22.28 O ATOM 584 CB ASN A 74 -3.774 66.690 14.442 1.00 21.78 C ATOM 585 CG ASN A 74 -3.153 67.511 13.343 1.00 21.75 C ATOM 586 OD1 ASN A 74 -2.756 66.980 12.310 1.00 21.89 O ATOM 587 ND2 ASN A 74 -3.076 68.820 13.551 1.00 21.84 N ATOM 588 N LEU A 75 -1.544 63.709 14.351 1.00 21.55 N ATOM 589 CA LEU A 75 -0.154 63.287 14.510 1.00 21.12 C ATOM 590 C LEU A 75 0.855 63.962 13.593 1.00 20.17 C ATOM 591 O LEU A 75 2.014 64.130 13.964 1.00 19.87 O ATOM 592 CB LEU A 75 -0.061 61.768 14.367 1.00 22.39 C ATOM 593 CG LEU A 75 -0.911 61.041 15.411 1.00 23.36 C ATOM 594 CD1 LEU A 75 -0.875 59.544 15.172 1.00 23.63 C ATOM 595 CD2 LEU A 75 -0.400 61.386 16.804 1.00 25.01 C ATOM 596 N CYS A 76 0.429 64.352 12.398 1.00 18.85 N ATOM 597 CA CYS A 76 1.344 65.024 11.488 1.00 18.77 C ATOM 598 C CYS A 76 1.337 66.532 11.706 1.00 19.24 C ATOM 599 O CYS A 76 2.096 67.256 11.061 1.00 19.23 O ATOM 600 CB CYS A 76 0.998 64.684 10.035 1.00 17.62 C ATOM 601 SG CYS A 76 1.483 62.980 9.609 1.00 16.44 S ATOM 602 N ASN A 77 0.485 66.990 12.627 1.00 20.61 N ATOM 603 CA ASN A 77 0.354 68.411 12.981 1.00 21.96 C ATOM 604 C ASN A 77 0.167 69.333 11.781 1.00 20.75 C ATOM 605 O ASN A 77 0.950 70.257 11.564 1.00 19.68 O ATOM 606 CB ASN A 77 1.575 68.880 13.788 1.00 26.25 C ATOM 607 CG ASN A 77 1.639 68.251 15.179 1.00 31.42 C ATOM 608 OD1 ASN A 77 0.728 68.424 15.992 1.00 35.71 O ATOM 609 ND2 ASN A 77 2.719 67.518 15.455 1.00 32.95 N ATOM 610 N ILE A 78 -0.883 69.087 11.010 1.00 18.93 N ATOM 611 CA ILE A 78 -1.161 69.893 9.833 1.00 18.13 C ATOM 612 C ILE A 78 -2.632 69.819 9.464 1.00 17.34 C ATOM 613 O ILE A 78 -3.322 68.847 9.784 1.00 16.54 O ATOM 614 CB ILE A 78 -0.408 69.377 8.593 1.00 18.00 C ATOM 615 CG1 ILE A 78 -0.722 67.892 8.405 1.00 18.33 C ATOM 616 CG2 ILE A 78 1.071 69.629 8.724 1.00 19.75 C ATOM 617 CD1 ILE A 78 -0.426 67.365 7.029 1.00 21.04 C ATOM 618 N PRO A 79 -3.138 70.856 8.790 1.00 16.52 N ATOM 619 CA PRO A 79 -4.542 70.815 8.393 1.00 15.56 C ATOM 620 C PRO A 79 -4.566 69.851 7.199 1.00 14.37 C ATOM 621 O PRO A 79 -3.646 69.859 6.380 1.00 13.41 O ATOM 622 CB PRO A 79 -4.818 72.257 7.993 1.00 15.82 C ATOM 623 CG PRO A 79 -3.498 72.702 7.436 1.00 17.60 C ATOM 624 CD PRO A 79 -2.524 72.150 8.448 1.00 16.77 C ATOM 625 N CYS A 80 -5.595 69.015 7.101 1.00 14.25 N ATOM 626 CA CYS A 80 -5.676 68.055 5.999 1.00 13.88 C ATOM 627 C CYS A 80 -5.591 68.697 4.606 1.00 13.95 C ATOM 628 O CYS A 80 -5.116 68.075 3.653 1.00 14.32 O ATOM 629 CB CYS A 80 -6.961 67.232 6.112 1.00 12.89 C ATOM 630 SG CYS A 80 -7.120 66.236 7.637 1.00 14.88 S ATOM 631 N SER A 81 -6.048 69.941 4.494 1.00 13.99 N ATOM 632 CA SER A 81 -6.019 70.665 3.222 1.00 14.77 C ATOM 633 C SER A 81 -4.599 70.864 2.695 1.00 14.28 C ATOM 634 O SER A 81 -4.393 71.005 1.490 1.00 14.16 O ATOM 635 CB SER A 81 -6.701 72.028 3.371 1.00 14.25 C ATOM 636 OG SER A 81 -6.053 72.814 4.355 1.00 15.57 O ATOM 637 N ALA A 82 -3.622 70.882 3.594 1.00 14.71 N ATOM 638 CA ALA A 82 -2.232 71.046 3.184 1.00 15.95 C ATOM 639 C ALA A 82 -1.788 69.833 2.357 1.00 16.97 C ATOM 640 O ALA A 82 -0.843 69.913 1.573 1.00 18.30 O ATOM 641 CB ALA A 82 -1.345 71.190 4.407 1.00 15.96 C ATOM 642 N LEU A 83 -2.489 68.717 2.534 1.00 17.31 N ATOM 643 CA LEU A 83 -2.185 67.476 1.827 1.00 17.39 C ATOM 644 C LEU A 83 -2.730 67.430 0.402 1.00 17.80 C ATOM 645 O LEU A 83 -2.488 66.463 -0.320 1.00 18.38 O ATOM 646 CB LEU A 83 -2.750 66.287 2.604 1.00 16.46 C ATOM 647 CG LEU A 83 -2.282 66.154 4.055 1.00 17.32 C ATOM 648 CD1 LEU A 83 -3.023 64.998 4.735 1.00 15.63 C ATOM 649 CD2 LEU A 83 -0.771 65.940 4.078 1.00 16.43 C ATOM 650 N LEU A 84 -3.462 68.463 -0.003 1.00 17.41 N ATOM 651 CA LEU A 84 -4.039 68.508 -1.343 1.00 17.50 C ATOM 652 C LEU A 84 -3.261 69.429 -2.273 1.00 19.23 C ATOM 653 O LEU A 84 -3.606 69.579 -3.452 1.00 19.17 O ATOM 654 CB LEU A 84 -5.486 68.988 -1.273 1.00 16.48 C ATOM 655 CG LEU A 84 -6.426 68.174 -0.390 1.00 16.69 C ATOM 656 CD1 LEU A 84 -7.809 68.781 -0.461 1.00 17.41 C ATOM 657 CD2 LEU A 84 -6.456 66.726 -0.849 1.00 14.54 C ATOM 658 N SER A 85 -2.221 70.052 -1.732 1.00 18.96 N ATOM 659 CA SER A 85 -1.385 70.973 -2.488 1.00 19.42 C ATOM 660 C SER A 85 -0.665 70.294 -3.654 1.00 19.58 C ATOM 661 O SER A 85 -0.472 69.078 -3.655 1.00 19.56 O ATOM 662 CB SER A 85 -0.354 71.599 -1.552 1.00 18.70 C ATOM 663 OG SER A 85 0.558 72.393 -2.282 1.00 20.52 O ATOM 664 N SER A 86 -0.272 71.084 -4.648 1.00 19.82 N ATOM 665 CA SER A 86 0.448 70.545 -5.793 1.00 20.58 C ATOM 666 C SER A 86 1.888 70.247 -5.355 1.00 19.83 C ATOM 667 O SER A 86 2.621 69.531 -6.034 1.00 20.37 O ATOM 668 CB SER A 86 0.424 71.541 -6.959 1.00 22.39 C ATOM 669 OG SER A 86 0.987 72.790 -6.587 1.00 25.45 O ATOM 670 N ASP A 87 2.280 70.809 -4.214 1.00 19.45 N ATOM 671 CA ASP A 87 3.605 70.584 -3.630 1.00 18.87 C ATOM 672 C ASP A 87 3.402 69.376 -2.711 1.00 18.34 C ATOM 673 O ASP A 87 2.681 69.471 -1.716 1.00 19.10 O ATOM 674 CB ASP A 87 4.031 71.795 -2.792 1.00 20.11 C ATOM 675 CG ASP A 87 5.437 71.653 -2.216 1.00 23.26 C ATOM 676 OD1 ASP A 87 5.790 70.555 -1.735 1.00 23.80 O ATOM 677 OD2 ASP A 87 6.192 72.651 -2.234 1.00 26.37 O ATOM 678 N ILE A 88 4.032 68.250 -3.023 1.00 16.82 N ATOM 679 CA ILE A 88 3.839 67.050 -2.214 1.00 15.79 C ATOM 680 C ILE A 88 4.597 66.975 -0.901 1.00 15.38 C ATOM 681 O ILE A 88 4.459 65.994 -0.174 1.00 16.49 O ATOM 682 CB ILE A 88 4.184 65.767 -3.005 1.00 16.47 C ATOM 683 CG1 ILE A 88 5.691 65.715 -3.284 1.00 16.53 C ATOM 684 CG2 ILE A 88 3.358 65.705 -4.290 1.00 16.86 C ATOM 685 CD1 ILE A 88 6.163 64.397 -3.861 1.00 16.64 C ATOM 686 N THR A 89 5.384 67.992 -0.580 1.00 14.86 N ATOM 687 CA THR A 89 6.163 67.969 0.658 1.00 15.41 C ATOM 688 C THR A 89 5.408 67.540 1.926 1.00 15.00 C ATOM 689 O THR A 89 5.853 66.648 2.645 1.00 14.47 O ATOM 690 CB THR A 89 6.828 69.332 0.906 1.00 16.06 C ATOM 691 OG1 THR A 89 7.668 69.649 -0.209 1.00 19.21 O ATOM 692 CG2 THR A 89 7.678 69.291 2.159 1.00 17.08 C ATOM 693 N ALA A 90 4.269 68.160 2.203 1.00 14.25 N ATOM 694 CA ALA A 90 3.510 67.806 3.399 1.00 14.44 C ATOM 695 C ALA A 90 3.070 66.346 3.367 1.00 14.48 C ATOM 696 O ALA A 90 3.155 65.642 4.373 1.00 15.01 O ATOM 697 CB ALA A 90 2.290 68.718 3.543 1.00 13.54 C ATOM 698 N SER A 91 2.584 65.895 2.216 1.00 14.05 N ATOM 699 CA SER A 91 2.146 64.515 2.090 1.00 13.91 C ATOM 700 C SER A 91 3.318 63.578 2.356 1.00 14.24 C ATOM 701 O SER A 91 3.183 62.599 3.085 1.00 15.24 O ATOM 702 CB SER A 91 1.569 64.257 0.697 1.00 14.04 C ATOM 703 OG SER A 91 0.235 64.733 0.604 1.00 15.31 O ATOM 704 N VAL A 92 4.472 63.885 1.778 1.00 13.55 N ATOM 705 CA VAL A 92 5.649 63.050 1.967 1.00 14.42 C ATOM 706 C VAL A 92 6.108 63.002 3.422 1.00 14.71 C ATOM 707 O VAL A 92 6.364 61.926 3.964 1.00 15.04 O ATOM 708 CB VAL A 92 6.816 63.532 1.072 1.00 15.66 C ATOM 709 CG1 VAL A 92 8.100 62.758 1.407 1.00 16.66 C ATOM 710 CG2 VAL A 92 6.446 63.328 -0.396 1.00 15.26 C ATOM 711 N ASN A 93 6.209 64.161 4.059 1.00 14.23 N ATOM 712 CA ASN A 93 6.646 64.203 5.444 1.00 16.11 C ATOM 713 C ASN A 93 5.726 63.401 6.349 1.00 15.39 C ATOM 714 O ASN A 93 6.187 62.715 7.260 1.00 15.18 O ATOM 715 CB ASN A 93 6.713 65.646 5.934 1.00 18.89 C ATOM 716 CG ASN A 93 7.849 66.422 5.298 1.00 23.45 C ATOM 717 OD1 ASN A 93 7.946 67.647 5.455 1.00 27.33 O ATOM 718 ND2 ASN A 93 8.720 65.718 4.576 1.00 21.35 N ATOM 719 N CYS A 94 4.425 63.491 6.099 1.00 13.87 N ATOM 720 CA CYS A 94 3.455 62.767 6.908 1.00 13.57 C ATOM 721 C CYS A 94 3.527 61.264 6.617 1.00 13.02 C ATOM 722 O CYS A 94 3.434 60.443 7.530 1.00 12.27 O ATOM 723 CB CYS A 94 2.044 63.307 6.637 1.00 14.31 C ATOM 724 SG CYS A 94 0.733 62.682 7.743 1.00 16.76 S ATOM 725 N ALA A 95 3.700 60.910 5.346 1.00 12.24 N ATOM 726 CA ALA A 95 3.799 59.508 4.945 1.00 12.35 C ATOM 727 C ALA A 95 4.976 58.848 5.664 1.00 13.12 C ATOM 728 O ALA A 95 4.902 57.688 6.077 1.00 13.43 O ATOM 729 CB ALA A 95 3.982 59.407 3.427 1.00 10.51 C ATOM 730 N LYS A 96 6.066 59.594 5.809 1.00 14.84 N ATOM 731 CA LYS A 96 7.252 59.083 6.482 1.00 14.60 C ATOM 732 C LYS A 96 6.953 58.727 7.935 1.00 15.21 C ATOM 733 O LYS A 96 7.500 57.766 8.467 1.00 14.90 O ATOM 734 CB LYS A 96 8.374 60.117 6.425 1.00 16.89 C ATOM 735 CG LYS A 96 9.025 60.261 5.060 1.00 17.21 C ATOM 736 CD LYS A 96 10.104 61.331 5.092 1.00 19.37 C ATOM 737 CE LYS A 96 10.928 61.306 3.812 1.00 21.27 C ATOM 738 NZ LYS A 96 11.876 62.453 3.725 1.00 22.22 N ATOM 739 N LYS A 97 6.095 59.508 8.583 1.00 15.61 N ATOM 740 CA LYS A 97 5.744 59.225 9.968 1.00 16.95 C ATOM 741 C LYS A 97 4.844 58.003 10.009 1.00 16.26 C ATOM 742 O LYS A 97 4.977 57.147 10.879 1.00 15.57 O ATOM 743 CB LYS A 97 5.018 60.411 10.604 1.00 19.78 C ATOM 744 CG LYS A 97 5.859 61.675 10.705 1.00 26.59 C ATOM 745 CD LYS A 97 5.130 62.763 11.487 1.00 31.36 C ATOM 746 CE LYS A 97 5.937 64.056 11.532 1.00 34.44 C ATOM 747 NZ LYS A 97 5.177 65.152 12.216 1.00 38.91 N ATOM 748 N ILE A 98 3.926 57.920 9.054 1.00 15.34 N ATOM 749 CA ILE A 98 3.006 56.796 8.995 1.00 14.74 C ATOM 750 C ILE A 98 3.738 55.468 8.787 1.00 15.46 C ATOM 751 O ILE A 98 3.526 54.512 9.532 1.00 14.05 O ATOM 752 CB ILE A 98 1.982 56.979 7.846 1.00 14.47 C ATOM 753 CG1 ILE A 98 1.137 58.231 8.094 1.00 12.92 C ATOM 754 CG2 ILE A 98 1.097 55.736 7.731 1.00 13.24 C ATOM 755 CD1 ILE A 98 0.162 58.536 6.977 1.00 11.70 C ATOM 756 N VAL A 99 4.607 55.413 7.782 1.00 15.93 N ATOM 757 CA VAL A 99 5.324 54.183 7.480 1.00 16.96 C ATOM 758 C VAL A 99 6.335 53.785 8.551 1.00 18.84 C ATOM 759 O VAL A 99 6.764 52.630 8.599 1.00 18.94 O ATOM 760 CB VAL A 99 6.030 54.268 6.099 1.00 16.41 C ATOM 761 CG1 VAL A 99 7.256 55.161 6.181 1.00 16.42 C ATOM 762 CG2 VAL A 99 6.397 52.873 5.619 1.00 16.86 C ATOM 763 N SER A 100 6.711 54.730 9.409 1.00 20.41 N ATOM 764 CA SER A 100 7.659 54.447 10.486 1.00 23.70 C ATOM 765 C SER A 100 6.945 53.736 11.634 1.00 27.09 C ATOM 766 O SER A 100 7.575 53.235 12.564 1.00 27.21 O ATOM 767 CB SER A 100 8.291 55.738 11.001 1.00 21.17 C ATOM 768 OG SER A 100 9.153 56.288 10.029 1.00 20.87 O ATOM 769 N ASP A 101 5.619 53.707 11.559 1.00 31.35 N ATOM 770 CA ASP A 101 4.807 53.049 12.570 1.00 35.18 C ATOM 771 C ASP A 101 4.910 51.545 12.320 1.00 35.62 C ATOM 772 O ASP A 101 5.067 51.102 11.180 1.00 36.69 O ATOM 773 CB ASP A 101 3.351 53.503 12.449 1.00 38.88 C ATOM 774 CG ASP A 101 2.525 53.142 13.668 1.00 43.92 C ATOM 775 OD1 ASP A 101 2.579 51.964 14.104 1.00 45.15 O ATOM 776 OD2 ASP A 101 1.819 54.040 14.186 1.00 45.56 O ATOM 777 N GLY A 102 4.812 50.770 13.393 1.00 35.35 N ATOM 778 CA GLY A 102 4.920 49.323 13.307 1.00 33.50 C ATOM 779 C GLY A 102 4.387 48.560 12.103 1.00 32.10 C ATOM 780 O GLY A 102 4.935 47.502 11.781 1.00 33.28 O ATOM 781 N ASN A 103 3.353 49.064 11.427 1.00 29.17 N ATOM 782 CA ASN A 103 2.786 48.338 10.285 1.00 26.26 C ATOM 783 C ASN A 103 3.294 48.674 8.884 1.00 22.05 C ATOM 784 O ASN A 103 2.855 48.077 7.903 1.00 19.93 O ATOM 785 CB ASN A 103 1.268 48.450 10.320 1.00 29.53 C ATOM 786 CG ASN A 103 0.675 47.740 11.515 1.00 33.78 C ATOM 787 OD1 ASN A 103 0.552 46.515 11.524 1.00 36.13 O ATOM 788 ND2 ASN A 103 0.325 48.504 12.547 1.00 35.97 N ATOM 789 N GLY A 104 4.219 49.618 8.792 1.00 19.10 N ATOM 790 CA GLY A 104 4.776 49.982 7.502 1.00 17.09 C ATOM 791 C GLY A 104 3.749 50.384 6.462 1.00 15.04 C ATOM 792 O GLY A 104 2.731 50.988 6.786 1.00 14.80 O ATOM 793 N MET A 105 4.011 50.031 5.208 1.00 14.18 N ATOM 794 CA MET A 105 3.114 50.383 4.120 1.00 13.33 C ATOM 795 C MET A 105 1.795 49.626 4.099 1.00 12.85 C ATOM 796 O MET A 105 0.938 49.903 3.260 1.00 12.34 O ATOM 797 CB MET A 105 3.830 50.234 2.774 1.00 12.99 C ATOM 798 CG MET A 105 4.836 51.353 2.503 1.00 13.47 C ATOM 799 SD MET A 105 5.320 51.509 0.761 1.00 14.63 S ATOM 800 CE MET A 105 3.847 52.327 0.074 1.00 11.38 C ATOM 801 N ASN A 106 1.624 48.671 5.009 1.00 12.74 N ATOM 802 CA ASN A 106 0.366 47.932 5.075 1.00 13.24 C ATOM 803 C ASN A 106 -0.721 48.897 5.539 1.00 13.76 C ATOM 804 O ASN A 106 -1.902 48.573 5.506 1.00 14.08 O ATOM 805 CB ASN A 106 0.468 46.755 6.043 1.00 11.95 C ATOM 806 CG ASN A 106 1.412 45.682 5.552 1.00 11.88 C ATOM 807 OD1 ASN A 106 2.467 45.452 6.142 1.00 13.96 O ATOM 808 ND2 ASN A 106 1.044 45.022 4.462 1.00 9.78 N ATOM 809 N ALA A 107 -0.305 50.087 5.969 1.00 14.56 N ATOM 810 CA ALA A 107 -1.232 51.127 6.407 1.00 15.31 C ATOM 811 C ALA A 107 -2.096 51.606 5.227 1.00 15.35 C ATOM 812 O ALA A 107 -3.195 52.130 5.417 1.00 18.05 O ATOM 813 CB ALA A 107 -0.456 52.305 6.995 1.00 14.77 C ATOM 814 N TRP A 108 -1.594 51.429 4.011 1.00 13.19 N ATOM 815 CA TRP A 108 -2.322 51.831 2.813 1.00 13.01 C ATOM 816 C TRP A 108 -2.985 50.608 2.203 1.00 13.01 C ATOM 817 O TRP A 108 -2.307 49.714 1.689 1.00 12.38 O ATOM 818 CB TRP A 108 -1.364 52.479 1.803 1.00 12.28 C ATOM 819 CG TRP A 108 -0.994 53.880 2.165 1.00 12.88 C ATOM 820 CD1 TRP A 108 -1.744 55.000 1.960 1.00 12.80 C ATOM 821 CD2 TRP A 108 0.199 54.313 2.836 1.00 13.23 C ATOM 822 NE1 TRP A 108 -1.093 56.105 2.459 1.00 14.06 N ATOM 823 CE2 TRP A 108 0.100 55.712 3.004 1.00 12.43 C ATOM 824 CE3 TRP A 108 1.341 53.654 3.314 1.00 13.09 C ATOM 825 CZ2 TRP A 108 1.095 56.466 3.629 1.00 12.89 C ATOM 826 CZ3 TRP A 108 2.336 54.409 3.941 1.00 14.24 C ATOM 827 CH2 TRP A 108 2.202 55.801 4.091 1.00 12.25 C ATOM 828 N VAL A 109 -4.312 50.568 2.263 1.00 13.56 N ATOM 829 CA VAL A 109 -5.061 49.438 1.729 1.00 14.02 C ATOM 830 C VAL A 109 -4.770 49.172 0.257 1.00 12.12 C ATOM 831 O VAL A 109 -4.694 48.019 -0.159 1.00 11.80 O ATOM 832 CB VAL A 109 -6.583 49.641 1.896 1.00 15.88 C ATOM 833 CG1 VAL A 109 -6.927 49.798 3.367 1.00 18.51 C ATOM 834 CG2 VAL A 109 -7.027 50.865 1.121 1.00 18.45 C ATOM 835 N ALA A 110 -4.612 50.231 -0.532 1.00 11.81 N ATOM 836 CA ALA A 110 -4.336 50.054 -1.959 1.00 12.52 C ATOM 837 C ALA A 110 -2.981 49.380 -2.173 1.00 12.24 C ATOM 838 O ALA A 110 -2.827 48.545 -3.066 1.00 12.04 O ATOM 839 CB ALA A 110 -4.379 51.402 -2.687 1.00 11.60 C ATOM 840 N TRP A 111 -2.002 49.742 -1.353 1.00 11.53 N ATOM 841 CA TRP A 111 -0.676 49.155 -1.474 1.00 11.75 C ATOM 842 C TRP A 111 -0.717 47.670 -1.133 1.00 12.38 C ATOM 843 O TRP A 111 -0.160 46.832 -1.849 1.00 11.81 O ATOM 844 CB TRP A 111 0.323 49.850 -0.541 1.00 10.78 C ATOM 845 CG TRP A 111 1.690 49.241 -0.647 1.00 10.72 C ATOM 846 CD1 TRP A 111 2.589 49.420 -1.663 1.00 10.75 C ATOM 847 CD2 TRP A 111 2.266 48.262 0.229 1.00 9.87 C ATOM 848 NE1 TRP A 111 3.681 48.609 -1.478 1.00 9.13 N ATOM 849 CE2 TRP A 111 3.511 47.887 -0.326 1.00 9.69 C ATOM 850 CE3 TRP A 111 1.850 47.662 1.424 1.00 9.71 C ATOM 851 CZ2 TRP A 111 4.345 46.936 0.275 1.00 10.75 C ATOM 852 CZ3 TRP A 111 2.680 46.715 2.024 1.00 10.72 C ATOM 853 CH2 TRP A 111 3.914 46.361 1.446 1.00 10.45 C ATOM 854 N ARG A 112 -1.377 47.357 -0.027 1.00 13.40 N ATOM 855 CA ARG A 112 -1.485 45.986 0.429 1.00 16.10 C ATOM 856 C ARG A 112 -2.213 45.097 -0.586 1.00 16.31 C ATOM 857 O ARG A 112 -1.777 43.984 -0.876 1.00 15.92 O ATOM 858 CB ARG A 112 -2.212 45.958 1.778 1.00 19.18 C ATOM 859 CG ARG A 112 -2.031 44.673 2.559 1.00 24.85 C ATOM 860 CD ARG A 112 -2.648 44.771 3.953 1.00 28.47 C ATOM 861 NE ARG A 112 -4.095 44.955 3.893 1.00 33.11 N ATOM 862 CZ ARG A 112 -4.726 46.085 4.203 1.00 34.53 C ATOM 863 NH1 ARG A 112 -4.038 47.146 4.604 1.00 35.76 N ATOM 864 NH2 ARG A 112 -6.048 46.156 4.107 1.00 34.99 N ATOM 865 N ASN A 113 -3.303 45.600 -1.152 1.00 15.30 N ATOM 866 CA ASN A 113 -4.078 44.807 -2.093 1.00 15.94 C ATOM 867 C ASN A 113 -3.695 44.889 -3.559 1.00 15.54 C ATOM 868 O ASN A 113 -4.063 44.008 -4.338 1.00 16.43 O ATOM 869 CB ASN A 113 -5.568 45.147 -1.965 1.00 15.80 C ATOM 870 CG ASN A 113 -6.122 44.800 -0.608 1.00 16.01 C ATOM 871 OD1 ASN A 113 -5.655 43.864 0.035 1.00 16.82 O ATOM 872 ND2 ASN A 113 -7.133 45.542 -0.167 1.00 14.93 N ATOM 873 N ARG A 114 -2.958 45.923 -3.948 1.00 15.02 N ATOM 874 CA ARG A 114 -2.615 46.066 -5.356 1.00 14.82 C ATOM 875 C ARG A 114 -1.138 46.241 -5.699 1.00 13.65 C ATOM 876 O ARG A 114 -0.771 46.185 -6.870 1.00 13.09 O ATOM 877 CB ARG A 114 -3.453 47.210 -5.937 1.00 16.22 C ATOM 878 CG ARG A 114 -4.932 47.044 -5.575 1.00 18.25 C ATOM 879 CD ARG A 114 -5.840 48.061 -6.220 1.00 19.50 C ATOM 880 NE ARG A 114 -5.910 47.926 -7.674 1.00 19.18 N ATOM 881 CZ ARG A 114 -6.641 48.722 -8.449 1.00 19.15 C ATOM 882 NH1 ARG A 114 -7.356 49.696 -7.901 1.00 19.58 N ATOM 883 NH2 ARG A 114 -6.649 48.558 -9.766 1.00 18.29 N ATOM 884 N CYS A 115 -0.291 46.429 -4.692 1.00 12.04 N ATOM 885 CA CYS A 115 1.139 46.605 -4.940 1.00 12.27 C ATOM 886 C CYS A 115 1.997 45.531 -4.293 1.00 13.11 C ATOM 887 O CYS A 115 2.899 44.968 -4.927 1.00 12.45 O ATOM 888 CB CYS A 115 1.595 47.975 -4.440 1.00 10.42 C ATOM 889 SG CYS A 115 0.680 49.337 -5.222 1.00 11.64 S ATOM 890 N LYS A 116 1.715 45.261 -3.022 1.00 13.50 N ATOM 891 CA LYS A 116 2.460 44.267 -2.260 1.00 14.27 C ATOM 892 C LYS A 116 2.579 42.951 -3.034 1.00 15.24 C ATOM 893 O LYS A 116 1.587 42.410 -3.523 1.00 15.05 O ATOM 894 CB LYS A 116 1.765 44.032 -0.912 1.00 14.19 C ATOM 895 CG LYS A 116 2.609 43.295 0.120 1.00 15.06 C ATOM 896 CD LYS A 116 1.863 43.163 1.442 1.00 14.12 C ATOM 897 CE LYS A 116 2.730 42.501 2.504 1.00 15.67 C ATOM 898 NZ LYS A 116 2.064 42.480 3.845 1.00 16.43 N ATOM 899 N GLY A 117 3.805 42.456 -3.162 1.00 16.27 N ATOM 900 CA GLY A 117 4.026 41.201 -3.858 1.00 17.94 C ATOM 901 C GLY A 117 3.947 41.235 -5.375 1.00 18.74 C ATOM 902 O GLY A 117 3.873 40.188 -6.021 1.00 19.90 O ATOM 903 N THR A 118 3.954 42.426 -5.957 1.00 18.28 N ATOM 904 CA THR A 118 3.895 42.541 -7.407 1.00 18.17 C ATOM 905 C THR A 118 5.222 43.116 -7.855 1.00 18.61 C ATOM 906 O THR A 118 6.060 43.453 -7.024 1.00 17.65 O ATOM 907 CB THR A 118 2.749 43.487 -7.862 1.00 19.34 C ATOM 908 OG1 THR A 118 3.048 44.837 -7.481 1.00 16.55 O ATOM 909 CG2 THR A 118 1.424 43.064 -7.220 1.00 18.37 C ATOM 910 N ASP A 119 5.425 43.220 -9.161 1.00 19.66 N ATOM 911 CA ASP A 119 6.668 43.781 -9.675 1.00 22.81 C ATOM 912 C ASP A 119 6.566 45.304 -9.626 1.00 21.78 C ATOM 913 O ASP A 119 6.369 45.955 -10.649 1.00 23.36 O ATOM 914 CB ASP A 119 6.909 43.303 -11.114 1.00 25.99 C ATOM 915 CG ASP A 119 8.126 43.961 -11.758 1.00 30.60 C ATOM 916 OD1 ASP A 119 9.173 44.076 -11.085 1.00 32.96 O ATOM 917 OD2 ASP A 119 8.036 44.352 -12.942 1.00 32.42 O ATOM 918 N VAL A 120 6.707 45.864 -8.428 1.00 21.26 N ATOM 919 CA VAL A 120 6.597 47.310 -8.239 1.00 21.74 C ATOM 920 C VAL A 120 7.589 48.161 -9.022 1.00 22.38 C ATOM 921 O VAL A 120 7.321 49.334 -9.297 1.00 21.20 O ATOM 922 CB VAL A 120 6.705 47.685 -6.746 1.00 20.55 C ATOM 923 CG1 VAL A 120 5.466 47.204 -6.012 1.00 19.99 C ATOM 924 CG2 VAL A 120 7.961 47.068 -6.138 1.00 19.37 C ATOM 925 N GLN A 121 8.728 47.582 -9.383 1.00 23.57 N ATOM 926 CA GLN A 121 9.726 48.324 -10.137 1.00 25.11 C ATOM 927 C GLN A 121 9.172 48.764 -11.482 1.00 23.64 C ATOM 928 O GLN A 121 9.615 49.758 -12.050 1.00 22.70 O ATOM 929 CB GLN A 121 10.971 47.472 -10.363 1.00 30.75 C ATOM 930 CG GLN A 121 11.777 47.204 -9.111 1.00 38.64 C ATOM 931 CD GLN A 121 13.126 46.569 -9.423 1.00 44.39 C ATOM 932 OE1 GLN A 121 13.931 47.134 -10.177 1.00 46.34 O ATOM 933 NE2 GLN A 121 13.382 45.390 -8.845 1.00 46.21 N ATOM 934 N ALA A 122 8.208 48.015 -11.999 1.00 22.54 N ATOM 935 CA ALA A 122 7.613 48.362 -13.280 1.00 21.40 C ATOM 936 C ALA A 122 7.090 49.798 -13.243 1.00 21.25 C ATOM 937 O ALA A 122 6.972 50.455 -14.281 1.00 19.16 O ATOM 938 CB ALA A 122 6.480 47.401 -13.610 1.00 21.84 C ATOM 939 N TRP A 123 6.791 50.290 -12.044 1.00 19.62 N ATOM 940 CA TRP A 123 6.267 51.643 -11.902 1.00 19.74 C ATOM 941 C TRP A 123 7.256 52.780 -12.139 1.00 20.14 C ATOM 942 O TRP A 123 6.845 53.923 -12.346 1.00 20.20 O ATOM 943 CB TRP A 123 5.596 51.804 -10.532 1.00 19.32 C ATOM 944 CG TRP A 123 4.303 51.068 -10.485 1.00 19.37 C ATOM 945 CD1 TRP A 123 4.064 49.859 -9.898 1.00 19.17 C ATOM 946 CD2 TRP A 123 3.100 51.426 -11.173 1.00 19.61 C ATOM 947 NE1 TRP A 123 2.788 49.438 -10.182 1.00 18.60 N ATOM 948 CE2 TRP A 123 2.173 50.381 -10.964 1.00 19.95 C ATOM 949 CE3 TRP A 123 2.717 52.530 -11.952 1.00 19.52 C ATOM 950 CZ2 TRP A 123 0.881 50.403 -11.506 1.00 20.31 C ATOM 951 CZ3 TRP A 123 1.434 52.556 -12.495 1.00 19.27 C ATOM 952 CH2 TRP A 123 0.532 51.496 -12.269 1.00 21.10 C ATOM 953 N ILE A 124 8.552 52.484 -12.116 1.00 20.46 N ATOM 954 CA ILE A 124 9.543 53.532 -12.347 1.00 21.43 C ATOM 955 C ILE A 124 10.428 53.262 -13.563 1.00 21.77 C ATOM 956 O ILE A 124 11.325 54.047 -13.870 1.00 21.92 O ATOM 957 CB ILE A 124 10.441 53.754 -11.105 1.00 21.18 C ATOM 958 CG1 ILE A 124 11.175 52.463 -10.747 1.00 21.15 C ATOM 959 CG2 ILE A 124 9.587 54.228 -9.928 1.00 19.75 C ATOM 960 CD1 ILE A 124 12.232 52.646 -9.681 1.00 23.65 C ATOM 961 N ARG A 125 10.172 52.160 -14.260 1.00 23.03 N ATOM 962 CA ARG A 125 10.956 51.835 -15.444 1.00 25.50 C ATOM 963 C ARG A 125 10.685 52.860 -16.529 1.00 25.42 C ATOM 964 O ARG A 125 9.555 53.321 -16.684 1.00 25.81 O ATOM 965 CB ARG A 125 10.597 50.454 -15.968 1.00 28.23 C ATOM 966 CG ARG A 125 11.054 49.322 -15.086 1.00 34.50 C ATOM 967 CD ARG A 125 10.470 48.008 -15.576 1.00 38.91 C ATOM 968 NE ARG A 125 10.721 46.923 -14.636 1.00 42.28 N ATOM 969 CZ ARG A 125 10.023 45.794 -14.608 1.00 44.62 C ATOM 970 NH1 ARG A 125 9.028 45.607 -15.470 1.00 45.79 N ATOM 971 NH2 ARG A 125 10.318 44.852 -13.719 1.00 46.20 N ATOM 972 N GLY A 126 11.731 53.213 -17.273 1.00 25.13 N ATOM 973 CA GLY A 126 11.601 54.180 -18.345 1.00 23.38 C ATOM 974 C GLY A 126 11.783 55.601 -17.869 1.00 24.26 C ATOM 975 O GLY A 126 11.875 56.524 -18.673 1.00 25.93 O ATOM 976 N CYS A 127 11.843 55.782 -16.555 1.00 24.01 N ATOM 977 CA CYS A 127 11.994 57.116 -15.984 1.00 23.76 C ATOM 978 C CYS A 127 13.443 57.531 -15.795 1.00 24.88 C ATOM 979 O CYS A 127 14.315 56.706 -15.522 1.00 24.54 O ATOM 980 CB CYS A 127 11.290 57.205 -14.630 1.00 21.89 C ATOM 981 SG CYS A 127 9.511 56.823 -14.625 1.00 21.25 S ATOM 982 N ARG A 128 13.687 58.828 -15.928 1.00 26.08 N ATOM 983 CA ARG A 128 15.017 59.374 -15.751 1.00 27.86 C ATOM 984 C ARG A 128 15.126 59.816 -14.299 1.00 28.33 C ATOM 985 O ARG A 128 14.579 60.847 -13.911 1.00 29.08 O ATOM 986 CB ARG A 128 15.212 60.556 -16.694 1.00 28.63 C ATOM 987 CG ARG A 128 16.637 61.056 -16.796 1.00 32.15 C ATOM 988 CD ARG A 128 16.893 61.570 -18.201 1.00 34.66 C ATOM 989 NE ARG A 128 15.806 62.433 -18.656 1.00 37.18 N ATOM 990 CZ ARG A 128 15.529 62.675 -19.933 1.00 37.84 C ATOM 991 NH1 ARG A 128 16.259 62.115 -20.888 1.00 38.86 N ATOM 992 NH2 ARG A 128 14.520 63.475 -20.255 1.00 38.84 N ATOM 993 N LEU A 129 15.824 59.016 -13.497 1.00 30.13 N ATOM 994 CA LEU A 129 16.006 59.300 -12.076 1.00 31.75 C ATOM 995 C LEU A 129 17.481 59.210 -11.670 1.00 33.24 C ATOM 996 O LEU A 129 18.282 58.698 -12.483 1.00 34.30 O ATOM 997 CB LEU A 129 15.184 58.306 -11.253 1.00 31.01 C ATOM 998 CG LEU A 129 13.702 58.225 -11.630 1.00 31.53 C ATOM 999 CD1 LEU A 129 13.071 57.028 -10.958 1.00 32.30 C ATOM 1000 CD2 LEU A 129 12.993 59.505 -11.235 1.00 31.58 C ATOM 1001 OXT LEU A 129 17.823 59.643 -10.545 1.00 33.68 O TER 1002 LEU A 129 HETATM 1003 O HOH A 201 -13.912 64.014 7.603 1.00 11.31 O HETATM 1004 O HOH A 202 -1.561 62.450 0.768 1.00 9.42 O HETATM 1005 O HOH A 203 -11.642 65.735 -3.921 1.00 10.92 O HETATM 1006 O HOH A 204 -9.706 65.877 12.038 1.00 13.40 O HETATM 1007 O HOH A 205 -10.853 73.230 9.513 1.00 14.51 O HETATM 1008 O HOH A 206 1.110 67.847 0.039 1.00 17.02 O HETATM 1009 O HOH A 207 -8.452 47.474 -2.098 1.00 15.26 O HETATM 1010 O HOH A 208 -1.054 42.810 -3.947 1.00 17.86 O HETATM 1011 O HOH A 209 -3.874 57.315 6.432 1.00 17.55 O HETATM 1012 O HOH A 210 -1.884 45.377 -9.379 1.00 20.89 O HETATM 1013 O HOH A 211 -4.365 45.969 -9.212 1.00 22.19 O HETATM 1014 O HOH A 212 3.390 70.596 0.714 1.00 18.33 O HETATM 1015 O HOH A 213 -7.576 50.630 -4.986 1.00 17.92 O HETATM 1016 O HOH A 214 19.842 64.116 -16.763 1.00 22.81 O HETATM 1017 O HOH A 215 -9.071 56.621 0.067 1.00 23.14 O HETATM 1018 O HOH A 216 -2.607 68.726 -13.195 1.00 21.14 O HETATM 1019 O HOH A 217 -1.040 60.803 -14.528 1.00 28.01 O HETATM 1020 O HOH A 218 -5.540 52.664 3.412 1.00 26.87 O HETATM 1021 O HOH A 219 -8.367 61.032 -8.206 1.00 21.92 O HETATM 1022 O HOH A 220 8.817 65.800 -10.750 1.00 31.65 O HETATM 1023 O HOH A 221 11.142 50.275 -7.307 1.00 21.62 O HETATM 1024 O HOH A 222 -10.276 72.858 12.057 1.00 20.10 O HETATM 1025 O HOH A 223 5.823 62.008 -16.247 1.00 22.18 O HETATM 1026 O HOH A 224 14.162 54.428 -14.113 1.00 24.61 O HETATM 1027 O HOH A 225 -8.009 50.905 -10.782 1.00 21.51 O HETATM 1028 O HOH A 226 2.138 51.870 9.391 1.00 24.49 O HETATM 1029 O HOH A 227 1.022 71.811 1.577 1.00 23.61 O HETATM 1030 O HOH A 228 -7.698 64.537 13.056 1.00 26.41 O HETATM 1031 O HOH A 229 0.357 66.935 -2.286 1.00 20.82 O HETATM 1032 O HOH A 230 -10.777 47.300 -0.129 1.00 23.44 O HETATM 1033 O HOH A 231 -4.075 71.426 -5.577 1.00 21.54 O HETATM 1034 O HOH A 232 11.760 61.070 -14.097 1.00 35.07 O HETATM 1035 O HOH A 233 -11.521 67.023 13.778 1.00 21.83 O HETATM 1036 O HOH A 234 3.338 66.944 6.916 1.00 28.25 O HETATM 1037 O HOH A 235 -7.460 75.483 8.205 1.00 28.15 O HETATM 1038 O HOH A 236 -6.291 49.312 -12.990 1.00 27.15 O HETATM 1039 O HOH A 237 -7.627 54.219 0.634 1.00 26.51 O HETATM 1040 O HOH A 238 6.319 43.443 -3.902 1.00 31.03 O HETATM 1041 O HOH A 239 -7.487 66.589 14.610 1.00 25.31 O HETATM 1042 O HOH A 240 8.421 63.305 8.572 1.00 30.75 O HETATM 1043 O HOH A 241 5.431 59.759 -16.862 1.00 25.28 O HETATM 1044 O HOH A 242 -3.604 59.285 -13.702 1.00 31.18 O HETATM 1045 O HOH A 243 -10.198 59.992 -6.634 1.00 26.58 O HETATM 1046 O HOH A 244 -1.281 65.045 -2.207 1.00 36.56 O HETATM 1047 O HOH A 245 4.033 65.997 9.496 1.00 38.92 O HETATM 1048 O HOH A 246 2.430 46.672 -9.578 1.00 35.08 O HETATM 1049 O HOH A 247 15.166 64.284 -11.089 1.00 30.80 O HETATM 1050 O HOH A 248 -10.267 55.802 10.381 1.00 33.18 O HETATM 1051 O HOH A 249 -0.213 40.338 2.981 1.00 28.42 O HETATM 1052 O HOH A 250 -5.865 54.281 -10.496 1.00 33.07 O HETATM 1053 O HOH A 251 -15.275 53.589 4.085 1.00 37.03 O HETATM 1054 O HOH A 252 1.707 67.193 -14.350 1.00 37.97 O HETATM 1055 O HOH A 253 -3.982 72.911 -0.365 1.00 38.15 O HETATM 1056 O HOH A 254 -7.106 54.061 -8.259 1.00 30.12 O HETATM 1057 O HOH A 255 -15.456 54.465 -3.281 1.00 39.18 O HETATM 1058 O HOH A 256 -16.021 60.464 -0.892 1.00 37.71 O HETATM 1059 O HOH A 257 4.667 69.913 -8.283 1.00 43.75 O HETATM 1060 O HOH A 258 8.749 50.523 12.148 1.00 33.27 O HETATM 1061 O HOH A 259 17.223 57.137 -14.486 1.00 37.93 O HETATM 1062 O HOH A 260 2.879 48.915 -14.564 1.00 26.63 O HETATM 1063 O HOH A 261 -8.514 54.963 -3.560 1.00 33.96 O HETATM 1064 O HOH A 262 -2.752 71.756 12.811 1.00 34.04 O HETATM 1065 O HOH A 263 6.957 68.286 -10.598 1.00 32.94 O HETATM 1066 O HOH A 264 6.077 68.688 -5.751 1.00 33.94 O HETATM 1067 O HOH A 265 11.504 60.247 -17.516 1.00 34.56 O HETATM 1068 O HOH A 266 3.524 50.959 -15.601 1.00 31.91 O HETATM 1069 O HOH A 267 2.469 59.360 -17.150 1.00 33.55 O HETATM 1070 O HOH A 268 9.886 44.837 -8.704 1.00 40.34 O HETATM 1071 O HOH A 269 -4.652 77.887 3.879 1.00 42.23 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 258 0 0 8 2 0 0 6 1070 1 8 10 END