HEADER HYDROLASE(PHOSPHORIC DIESTER) 17-FEB-93 1STN TITLE THE CRYSTAL STRUCTURE OF STAPHYLOCOCCAL NUCLEASE REFINED AT TITLE 2 1.7 ANGSTROMS RESOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; COMPND 3 CHAIN: A; COMPND 4 EC: 3.1.31.1; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; SOURCE 3 ORGANISM_TAXID: 1280 KEYWDS HYDROLASE(PHOSPHORIC DIESTER) EXPDTA X-RAY DIFFRACTION AUTHOR T.R.HYNES,R.O.FOX REVDAT 3 24-FEB-09 1STN 1 VERSN REVDAT 2 01-APR-03 1STN 1 JRNL REVDAT 1 31-JUL-94 1STN 0 JRNL AUTH T.R.HYNES,R.O.FOX JRNL TITL THE CRYSTAL STRUCTURE OF STAPHYLOCOCCAL NUCLEASE JRNL TITL 2 REFINED AT 1.7 A RESOLUTION. JRNL REF PROTEINS V. 10 92 1991 JRNL REFN ISSN 0887-3585 JRNL PMID 1896431 JRNL DOI 10.1002/PROT.340100203 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH T.R.HYNES,R.A.KAUTZ,M.A.GOODMAN,J.F.GILL,R.O.FOX REMARK 1 TITL TRANSFER OF A BETA-TURN STRUCTURE TO A NEW PROTEIN REMARK 1 TITL 2 CONTEXT REMARK 1 REF NATURE V. 339 73 1989 REMARK 1 REFN ISSN 0028-0836 REMARK 2 REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PROLSQ, X-PLOR REMARK 3 AUTHORS : KONNERT,HENDRICKSON REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 12359 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 + TEST SET) : 0.162 REMARK 3 R VALUE (WORKING SET) : 0.162 REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL REMARK 3 FREE R VALUE (NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1091 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 83 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 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA REMARK 3 BOND LENGTH (A) : NULL ; NULL REMARK 3 ANGLE DISTANCE (A) : NULL ; NULL REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : NULL ; NULL REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : NULL ; NULL REMARK 3 STAGGERED (DEGREES) : NULL ; NULL REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.000 ; 1.200 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.700 ; 1.800 REMARK 3 SIDE-CHAIN BOND (A**2) : 5.500 ; 4.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 8.400 ; 6.000 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1STN COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : NULL REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : NULL 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 : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 44.50 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.22 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 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,X,Z+1/4 REMARK 290 4555 Y,-X,Z+3/4 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 31.75000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 15.87500 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 47.62500 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 ALA A 1 REMARK 465 THR A 2 REMARK 465 SER A 3 REMARK 465 THR A 4 REMARK 465 LYS A 5 REMARK 465 GLU A 142 REMARK 465 ASP A 143 REMARK 465 ASN A 144 REMARK 465 ALA A 145 REMARK 465 ASP A 146 REMARK 465 SER A 147 REMARK 465 GLY A 148 REMARK 465 GLN A 149 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 MET A 32 CA - CB - CG ANGL. DEV. = 11.0 DEGREES REMARK 500 ARG A 35 NE - CZ - NH1 ANGL. DEV. = 4.5 DEGREES REMARK 500 ARG A 35 NE - CZ - NH2 ANGL. DEV. = -3.4 DEGREES REMARK 500 ARG A 81 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES REMARK 500 ARG A 81 NE - CZ - NH2 ANGL. DEV. = -7.8 DEGREES REMARK 500 ASP A 83 CB - CG - OD1 ANGL. DEV. = 6.7 DEGREES REMARK 500 ARG A 87 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES REMARK 500 ARG A 105 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES REMARK 500 ARG A 126 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES REMARK 500 REMARK 500 REMARK: NULL 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 ILE A 15 -60.03 -108.40 REMARK 500 TYR A 54 -0.81 83.36 REMARK 500 ASN A 119 18.19 -142.64 REMARK 500 ASN A 138 -104.64 43.66 REMARK 500 REMARK 500 REMARK: NULL DBREF 1STN A 1 149 UNP P00644 NUC_STAAU 83 231 SEQRES 1 A 149 ALA THR SER THR LYS LYS LEU HIS LYS GLU PRO ALA THR SEQRES 2 A 149 LEU ILE LYS ALA ILE ASP GLY ASP THR VAL LYS LEU MET SEQRES 3 A 149 TYR LYS GLY GLN PRO MET THR PHE ARG LEU LEU LEU VAL SEQRES 4 A 149 ASP THR PRO GLU THR LYS HIS PRO LYS LYS GLY VAL GLU SEQRES 5 A 149 LYS TYR GLY PRO GLU ALA SER ALA PHE THR LYS LYS MET SEQRES 6 A 149 VAL GLU ASN ALA LYS LYS ILE GLU VAL GLU PHE ASP LYS SEQRES 7 A 149 GLY GLN ARG THR ASP LYS TYR GLY ARG GLY LEU ALA TYR SEQRES 8 A 149 ILE TYR ALA ASP GLY LYS MET VAL ASN GLU ALA LEU VAL SEQRES 9 A 149 ARG GLN GLY LEU ALA LYS VAL ALA TYR VAL TYR LYS PRO SEQRES 10 A 149 ASN ASN THR HIS GLU GLN HIS LEU ARG LYS SER GLU ALA SEQRES 11 A 149 GLN ALA LYS LYS GLU LYS LEU ASN ILE TRP SER GLU ASP SEQRES 12 A 149 ASN ALA ASP SER GLY GLN FORMUL 2 HOH *83(H2 O) HELIX 1 1 TYR A 54 ASN A 68 1 15 HELIX 2 2 MET A 98 GLN A 106 1 9 HELIX 3 3 HIS A 121 GLU A 135 1 15 SHEET 1 S1 3 LEU A 7 GLU A 10 0 SHEET 2 S1 3 LYS A 71 GLU A 75 -1 N VAL A 74 O GLU A 10 SHEET 3 S1 3 TYR A 91 ASP A 95 -1 O TYR A 93 N GLU A 73 SHEET 1 S2 3 THR A 13 ASP A 19 0 SHEET 2 S2 3 ASP A 21 TYR A 27 -1 O THR A 22 N ILE A 18 SHEET 3 S2 3 GLY A 29 ARG A 35 -1 N PHE A 34 O VAL A 23 CISPEP 1 LYS A 116 PRO A 117 0 0.62 CRYST1 48.500 48.500 63.500 90.00 90.00 90.00 P 41 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.020619 0.000000 0.000000 0.00000 SCALE2 0.000000 0.020619 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015748 0.00000 ATOM 1 N LYS A 6 -2.379 39.592 23.913 1.00 38.10 N ATOM 2 CA LYS A 6 -2.152 39.291 22.475 1.00 37.75 C ATOM 3 C LYS A 6 -0.818 38.516 22.336 1.00 35.97 C ATOM 4 O LYS A 6 0.050 38.660 23.221 1.00 36.55 O ATOM 5 CB LYS A 6 -2.055 40.534 21.593 1.00 48.28 C ATOM 6 CG LYS A 6 -2.826 41.761 22.088 1.00 60.69 C ATOM 7 CD LYS A 6 -3.292 42.659 20.945 1.00 68.10 C ATOM 8 CE LYS A 6 -4.487 43.532 21.338 1.00 72.80 C ATOM 9 NZ LYS A 6 -4.904 44.374 20.168 1.00 76.12 N ATOM 10 N LEU A 7 -0.701 37.743 21.284 1.00 33.20 N ATOM 11 CA LEU A 7 0.542 36.984 21.067 1.00 31.39 C ATOM 12 C LEU A 7 1.461 37.854 20.195 1.00 30.44 C ATOM 13 O LEU A 7 0.933 38.620 19.350 1.00 31.50 O ATOM 14 CB LEU A 7 0.182 35.649 20.430 1.00 23.94 C ATOM 15 CG LEU A 7 -0.851 34.753 21.076 1.00 26.24 C ATOM 16 CD1 LEU A 7 -0.983 33.452 20.320 1.00 20.07 C ATOM 17 CD2 LEU A 7 -0.501 34.471 22.541 1.00 24.27 C ATOM 18 N HIS A 8 2.741 37.706 20.392 1.00 28.31 N ATOM 19 CA HIS A 8 3.730 38.427 19.566 1.00 27.24 C ATOM 20 C HIS A 8 4.845 37.472 19.111 1.00 25.44 C ATOM 21 O HIS A 8 5.166 36.447 19.746 1.00 24.18 O ATOM 22 CB HIS A 8 4.240 39.718 20.226 1.00 38.79 C ATOM 23 CG HIS A 8 4.984 39.389 21.483 1.00 54.45 C ATOM 24 ND1 HIS A 8 6.341 39.557 21.618 1.00 62.18 N ATOM 25 CD2 HIS A 8 4.541 38.835 22.642 1.00 61.89 C ATOM 26 CE1 HIS A 8 6.698 39.134 22.833 1.00 67.54 C ATOM 27 NE2 HIS A 8 5.626 38.680 23.470 1.00 68.26 N ATOM 28 N LYS A 9 5.400 37.799 17.954 1.00 23.41 N ATOM 29 CA LYS A 9 6.475 37.025 17.325 1.00 22.44 C ATOM 30 C LYS A 9 7.835 37.555 17.681 1.00 22.32 C ATOM 31 O LYS A 9 8.048 38.806 17.692 1.00 24.83 O ATOM 32 CB LYS A 9 6.244 37.169 15.824 1.00 21.89 C ATOM 33 CG LYS A 9 4.963 36.459 15.349 1.00 23.76 C ATOM 34 CD LYS A 9 4.735 36.693 13.868 1.00 26.61 C ATOM 35 CE LYS A 9 3.448 36.094 13.348 1.00 32.17 C ATOM 36 NZ LYS A 9 2.279 36.730 14.013 1.00 41.41 N ATOM 37 N GLU A 10 8.795 36.721 17.934 1.00 20.49 N ATOM 38 CA GLU A 10 10.185 37.100 18.235 1.00 18.79 C ATOM 39 C GLU A 10 11.118 36.361 17.288 1.00 17.94 C ATOM 40 O GLU A 10 10.832 35.224 16.903 1.00 18.28 O ATOM 41 CB GLU A 10 10.484 36.678 19.672 1.00 21.78 C ATOM 42 CG GLU A 10 9.495 37.341 20.675 1.00 35.19 C ATOM 43 CD GLU A 10 9.507 36.640 22.013 1.00 45.40 C ATOM 44 OE1 GLU A 10 10.628 36.778 22.551 1.00 46.33 O ATOM 45 OE2 GLU A 10 8.564 36.001 22.464 1.00 47.89 O ATOM 46 N PRO A 11 12.225 36.977 16.921 1.00 17.85 N ATOM 47 CA PRO A 11 13.188 36.386 15.985 1.00 16.77 C ATOM 48 C PRO A 11 13.943 35.237 16.610 1.00 14.73 C ATOM 49 O PRO A 11 14.137 35.201 17.835 1.00 14.44 O ATOM 50 CB PRO A 11 14.120 37.548 15.593 1.00 17.82 C ATOM 51 CG PRO A 11 13.883 38.671 16.543 1.00 18.66 C ATOM 52 CD PRO A 11 12.649 38.330 17.362 1.00 18.62 C ATOM 53 N ALA A 12 14.384 34.322 15.771 1.00 12.73 N ATOM 54 CA ALA A 12 15.204 33.178 16.209 1.00 11.75 C ATOM 55 C ALA A 12 16.063 32.800 15.004 1.00 11.96 C ATOM 56 O ALA A 12 15.785 33.293 13.873 1.00 12.24 O ATOM 57 CB ALA A 12 14.310 32.050 16.695 1.00 13.41 C ATOM 58 N THR A 13 17.064 32.001 15.236 1.00 11.49 N ATOM 59 CA THR A 13 17.951 31.568 14.143 1.00 12.48 C ATOM 60 C THR A 13 17.981 30.041 14.143 1.00 12.03 C ATOM 61 O THR A 13 18.101 29.454 15.230 1.00 11.58 O ATOM 62 CB THR A 13 19.402 32.131 14.393 1.00 18.77 C ATOM 63 OG1 THR A 13 19.262 33.577 14.401 1.00 19.54 O ATOM 64 CG2 THR A 13 20.397 31.638 13.322 1.00 16.65 C ATOM 65 N LEU A 14 17.880 29.467 12.969 1.00 12.17 N ATOM 66 CA LEU A 14 17.914 27.996 12.894 1.00 12.89 C ATOM 67 C LEU A 14 19.259 27.420 13.311 1.00 14.91 C ATOM 68 O LEU A 14 20.320 27.926 12.883 1.00 16.14 O ATOM 69 CB LEU A 14 17.523 27.548 11.471 1.00 15.08 C ATOM 70 CG LEU A 14 17.621 26.018 11.290 1.00 11.54 C ATOM 71 CD1 LEU A 14 16.503 25.320 12.065 1.00 14.02 C ATOM 72 CD2 LEU A 14 17.548 25.699 9.811 1.00 15.57 C ATOM 73 N ILE A 15 19.257 26.353 14.080 1.00 14.88 N ATOM 74 CA ILE A 15 20.470 25.630 14.430 1.00 15.92 C ATOM 75 C ILE A 15 20.346 24.321 13.622 1.00 16.95 C ATOM 76 O ILE A 15 21.205 24.079 12.762 1.00 18.34 O ATOM 77 CB ILE A 15 20.723 25.465 15.936 1.00 16.63 C ATOM 78 CG1 ILE A 15 21.019 26.779 16.683 1.00 15.12 C ATOM 79 CG2 ILE A 15 21.829 24.390 16.207 1.00 24.28 C ATOM 80 CD1 ILE A 15 20.998 26.586 18.233 1.00 16.18 C ATOM 81 N LYS A 16 19.293 23.557 13.875 1.00 15.58 N ATOM 82 CA LYS A 16 19.080 22.279 13.169 1.00 16.06 C ATOM 83 C LYS A 16 17.662 21.734 13.264 1.00 14.96 C ATOM 84 O LYS A 16 17.074 21.805 14.359 1.00 14.46 O ATOM 85 CB LYS A 16 20.003 21.316 13.940 1.00 23.14 C ATOM 86 CG LYS A 16 20.153 19.913 13.449 1.00 27.10 C ATOM 87 CD LYS A 16 20.737 19.106 14.629 1.00 37.45 C ATOM 88 CE LYS A 16 21.367 17.812 14.184 1.00 46.03 C ATOM 89 NZ LYS A 16 20.326 16.789 13.837 1.00 51.56 N ATOM 90 N ALA A 17 17.159 21.148 12.198 1.00 15.01 N ATOM 91 CA ALA A 17 15.826 20.497 12.201 1.00 15.23 C ATOM 92 C ALA A 17 16.088 19.055 12.675 1.00 16.93 C ATOM 93 O ALA A 17 16.989 18.392 12.120 1.00 18.13 O ATOM 94 CB ALA A 17 15.170 20.496 10.848 1.00 20.09 C ATOM 95 N ILE A 18 15.364 18.583 13.664 1.00 16.17 N ATOM 96 CA ILE A 18 15.538 17.270 14.251 1.00 16.27 C ATOM 97 C ILE A 18 14.517 16.264 13.761 1.00 16.79 C ATOM 98 O ILE A 18 14.931 15.115 13.528 1.00 18.13 O ATOM 99 CB ILE A 18 15.521 17.383 15.829 1.00 16.24 C ATOM 100 CG1 ILE A 18 16.697 18.285 16.252 1.00 20.84 C ATOM 101 CG2 ILE A 18 15.529 16.012 16.516 1.00 22.56 C ATOM 102 CD1 ILE A 18 16.723 18.605 17.769 1.00 28.31 C ATOM 103 N ASP A 19 13.259 16.695 13.655 1.00 14.21 N ATOM 104 CA ASP A 19 12.194 15.772 13.218 1.00 13.47 C ATOM 105 C ASP A 19 11.052 16.595 12.651 1.00 11.93 C ATOM 106 O ASP A 19 11.109 17.843 12.651 1.00 12.41 O ATOM 107 CB ASP A 19 11.754 14.880 14.405 1.00 14.38 C ATOM 108 CG ASP A 19 11.302 13.504 13.979 1.00 22.75 C ATOM 109 OD1 ASP A 19 11.377 13.249 12.760 1.00 22.48 O ATOM 110 OD2 ASP A 19 10.864 12.648 14.782 1.00 22.88 O ATOM 111 N GLY A 20 10.012 15.909 12.217 1.00 10.54 N ATOM 112 CA GLY A 20 8.844 16.624 11.636 1.00 10.26 C ATOM 113 C GLY A 20 8.283 17.643 12.627 1.00 10.55 C ATOM 114 O GLY A 20 7.843 18.753 12.237 1.00 9.01 O ATOM 115 N ASP A 21 8.333 17.261 13.928 1.00 9.42 N ATOM 116 CA ASP A 21 7.740 18.154 14.943 1.00 10.05 C ATOM 117 C ASP A 21 8.710 18.880 15.865 1.00 8.65 C ATOM 118 O ASP A 21 8.172 19.544 16.799 1.00 9.60 O ATOM 119 CB ASP A 21 6.757 17.245 15.785 1.00 11.05 C ATOM 120 CG ASP A 21 7.471 16.160 16.542 1.00 19.80 C ATOM 121 OD1 ASP A 21 8.733 16.009 16.470 1.00 19.66 O ATOM 122 OD2 ASP A 21 6.813 15.409 17.286 1.00 22.78 O ATOM 123 N THR A 22 9.995 18.777 15.628 1.00 9.38 N ATOM 124 CA THR A 22 10.973 19.421 16.555 1.00 9.59 C ATOM 125 C THR A 22 12.107 20.105 15.823 1.00 9.42 C ATOM 126 O THR A 22 12.680 19.456 14.919 1.00 9.96 O ATOM 127 CB THR A 22 11.521 18.231 17.476 1.00 11.73 C ATOM 128 OG1 THR A 22 10.381 17.673 18.192 1.00 12.71 O ATOM 129 CG2 THR A 22 12.568 18.640 18.468 1.00 14.25 C ATOM 130 N VAL A 23 12.454 21.304 16.220 1.00 9.99 N ATOM 131 CA VAL A 23 13.580 22.046 15.617 1.00 10.00 C ATOM 132 C VAL A 23 14.409 22.671 16.754 1.00 10.96 C ATOM 133 O VAL A 23 13.850 23.054 17.814 1.00 11.97 O ATOM 134 CB VAL A 23 13.117 23.091 14.578 1.00 14.06 C ATOM 135 CG1 VAL A 23 12.246 22.485 13.460 1.00 14.97 C ATOM 136 CG2 VAL A 23 12.357 24.216 15.275 1.00 17.23 C ATOM 137 N LYS A 24 15.692 22.775 16.502 1.00 10.34 N ATOM 138 CA LYS A 24 16.611 23.393 17.503 1.00 11.06 C ATOM 139 C LYS A 24 16.909 24.781 16.995 1.00 10.84 C ATOM 140 O LYS A 24 17.312 24.869 15.807 1.00 11.85 O ATOM 141 CB LYS A 24 17.823 22.534 17.643 1.00 18.19 C ATOM 142 CG LYS A 24 18.743 22.735 18.833 1.00 29.49 C ATOM 143 CD LYS A 24 19.348 21.357 19.227 1.00 38.83 C ATOM 144 CE LYS A 24 20.649 21.503 19.985 1.00 42.40 C ATOM 145 NZ LYS A 24 21.320 20.204 20.239 1.00 40.51 N ATOM 146 N LEU A 25 16.707 25.825 17.769 1.00 10.82 N ATOM 147 CA LEU A 25 16.939 27.215 17.346 1.00 11.52 C ATOM 148 C LEU A 25 17.769 28.005 18.368 1.00 13.25 C ATOM 149 O LEU A 25 17.786 27.623 19.546 1.00 13.78 O ATOM 150 CB LEU A 25 15.528 27.925 17.279 1.00 8.50 C ATOM 151 CG LEU A 25 14.396 27.327 16.461 1.00 12.54 C ATOM 152 CD1 LEU A 25 13.094 28.156 16.641 1.00 10.77 C ATOM 153 CD2 LEU A 25 14.689 27.312 14.969 1.00 11.94 C ATOM 154 N MET A 26 18.390 29.080 17.889 1.00 14.27 N ATOM 155 CA MET A 26 19.107 30.010 18.806 1.00 16.35 C ATOM 156 C MET A 26 18.014 31.041 19.158 1.00 16.92 C ATOM 157 O MET A 26 17.519 31.754 18.258 1.00 17.53 O ATOM 158 CB MET A 26 20.295 30.643 18.109 1.00 19.85 C ATOM 159 CG MET A 26 21.178 31.388 19.071 1.00 27.46 C ATOM 160 SD MET A 26 22.103 30.153 20.064 1.00 34.82 S ATOM 161 CE MET A 26 23.069 29.341 18.802 1.00 36.33 C ATOM 162 N TYR A 27 17.624 31.133 20.409 1.00 17.88 N ATOM 163 CA TYR A 27 16.565 32.013 20.911 1.00 18.79 C ATOM 164 C TYR A 27 17.093 32.853 22.077 1.00 19.86 C ATOM 165 O TYR A 27 17.432 32.333 23.110 1.00 19.88 O ATOM 166 CB TYR A 27 15.326 31.183 21.373 1.00 13.20 C ATOM 167 CG TYR A 27 14.232 32.070 21.938 1.00 16.54 C ATOM 168 CD1 TYR A 27 13.532 33.004 21.178 1.00 16.81 C ATOM 169 CD2 TYR A 27 13.934 31.974 23.284 1.00 18.22 C ATOM 170 CE1 TYR A 27 12.558 33.826 21.769 1.00 22.02 C ATOM 171 CE2 TYR A 27 12.969 32.783 23.887 1.00 18.05 C ATOM 172 CZ TYR A 27 12.289 33.707 23.135 1.00 23.54 C ATOM 173 OH TYR A 27 11.342 34.463 23.780 1.00 22.94 O ATOM 174 N LYS A 28 17.162 34.134 21.781 1.00 21.94 N ATOM 175 CA LYS A 28 17.715 35.141 22.725 1.00 24.25 C ATOM 176 C LYS A 28 19.116 34.715 23.147 1.00 24.68 C ATOM 177 O LYS A 28 19.409 34.527 24.342 1.00 25.08 O ATOM 178 CB LYS A 28 16.812 35.321 23.927 1.00 28.31 C ATOM 179 CG LYS A 28 15.679 36.320 23.646 1.00 33.61 C ATOM 180 CD LYS A 28 14.653 36.113 24.739 1.00 45.76 C ATOM 181 CE LYS A 28 13.613 37.207 24.826 1.00 54.50 C ATOM 182 NZ LYS A 28 12.731 36.929 26.030 1.00 60.83 N ATOM 183 N GLY A 29 19.977 34.492 22.171 1.00 24.80 N ATOM 184 CA GLY A 29 21.355 34.094 22.413 1.00 25.85 C ATOM 185 C GLY A 29 21.623 32.724 22.965 1.00 26.93 C ATOM 186 O GLY A 29 22.844 32.437 23.227 1.00 27.94 O ATOM 187 N GLN A 30 20.621 31.861 23.103 1.00 26.32 N ATOM 188 CA GLN A 30 20.859 30.487 23.580 1.00 26.09 C ATOM 189 C GLN A 30 20.104 29.429 22.759 1.00 24.84 C ATOM 190 O GLN A 30 18.948 29.604 22.337 1.00 25.44 O ATOM 191 CB GLN A 30 20.565 30.313 25.048 1.00 39.79 C ATOM 192 CG GLN A 30 19.176 30.869 25.402 1.00 57.30 C ATOM 193 CD GLN A 30 18.788 30.349 26.779 1.00 68.58 C ATOM 194 OE1 GLN A 30 18.410 31.121 27.663 1.00 73.00 O ATOM 195 NE2 GLN A 30 18.925 29.018 26.915 1.00 71.81 N ATOM 196 N PRO A 31 20.769 28.306 22.590 1.00 23.80 N ATOM 197 CA PRO A 31 20.258 27.178 21.819 1.00 21.89 C ATOM 198 C PRO A 31 19.135 26.514 22.590 1.00 20.22 C ATOM 199 O PRO A 31 19.363 26.266 23.782 1.00 20.32 O ATOM 200 CB PRO A 31 21.412 26.211 21.695 1.00 23.16 C ATOM 201 CG PRO A 31 22.577 26.822 22.388 1.00 24.24 C ATOM 202 CD PRO A 31 22.140 28.052 23.125 1.00 24.35 C ATOM 203 N MET A 32 18.060 26.219 21.905 1.00 17.16 N ATOM 204 CA MET A 32 16.903 25.561 22.587 1.00 16.19 C ATOM 205 C MET A 32 16.228 24.633 21.558 1.00 14.10 C ATOM 206 O MET A 32 16.278 25.026 20.380 1.00 14.25 O ATOM 207 CB MET A 32 15.865 26.594 22.944 1.00 18.74 C ATOM 208 CG MET A 32 15.882 27.381 24.157 1.00 33.85 C ATOM 209 SD MET A 32 14.081 27.703 24.525 1.00 47.63 S ATOM 210 CE MET A 32 13.748 26.043 25.204 1.00 44.73 C ATOM 211 N THR A 33 15.590 23.615 22.037 1.00 11.70 N ATOM 212 CA THR A 33 14.820 22.714 21.142 1.00 10.11 C ATOM 213 C THR A 33 13.335 23.116 21.243 1.00 10.27 C ATOM 214 O THR A 33 12.895 23.336 22.410 1.00 10.74 O ATOM 215 CB THR A 33 14.986 21.250 21.699 1.00 15.47 C ATOM 216 OG1 THR A 33 16.410 20.977 21.655 1.00 19.16 O ATOM 217 CG2 THR A 33 14.203 20.200 20.936 1.00 10.78 C ATOM 218 N PHE A 34 12.648 23.229 20.154 1.00 8.13 N ATOM 219 CA PHE A 34 11.238 23.621 20.173 1.00 8.50 C ATOM 220 C PHE A 34 10.392 22.463 19.635 1.00 8.33 C ATOM 221 O PHE A 34 10.779 21.854 18.635 1.00 8.33 O ATOM 222 CB PHE A 34 10.946 24.873 19.301 1.00 8.01 C ATOM 223 CG PHE A 34 11.334 26.153 19.974 1.00 10.64 C ATOM 224 CD1 PHE A 34 12.675 26.554 19.998 1.00 9.68 C ATOM 225 CD2 PHE A 34 10.337 26.933 20.586 1.00 9.32 C ATOM 226 CE1 PHE A 34 13.010 27.758 20.621 1.00 17.20 C ATOM 227 CE2 PHE A 34 10.688 28.132 21.225 1.00 12.22 C ATOM 228 CZ PHE A 34 12.027 28.544 21.240 1.00 14.56 C ATOM 229 N ARG A 35 9.269 22.260 20.299 1.00 6.85 N ATOM 230 CA ARG A 35 8.286 21.263 19.846 1.00 7.49 C ATOM 231 C ARG A 35 7.146 22.107 19.229 1.00 8.99 C ATOM 232 O ARG A 35 6.702 23.087 19.871 1.00 8.37 O ATOM 233 CB ARG A 35 7.771 20.480 21.055 1.00 9.31 C ATOM 234 CG ARG A 35 6.519 19.643 20.769 1.00 13.05 C ATOM 235 CD ARG A 35 6.826 18.480 19.918 1.00 12.02 C ATOM 236 NE ARG A 35 5.794 17.450 19.907 1.00 15.05 N ATOM 237 CZ ARG A 35 4.711 17.510 19.131 1.00 18.37 C ATOM 238 NH1 ARG A 35 4.390 18.552 18.336 1.00 10.65 N ATOM 239 NH2 ARG A 35 3.901 16.420 19.120 1.00 15.87 N ATOM 240 N LEU A 36 6.704 21.786 18.044 1.00 8.83 N ATOM 241 CA LEU A 36 5.615 22.566 17.410 1.00 9.63 C ATOM 242 C LEU A 36 4.290 22.370 18.156 1.00 9.80 C ATOM 243 O LEU A 36 3.812 21.202 18.213 1.00 12.19 O ATOM 244 CB LEU A 36 5.480 22.095 15.950 1.00 10.66 C ATOM 245 CG LEU A 36 6.560 22.334 14.938 1.00 17.11 C ATOM 246 CD1 LEU A 36 6.027 21.929 13.536 1.00 12.44 C ATOM 247 CD2 LEU A 36 7.036 23.762 14.868 1.00 19.34 C ATOM 248 N LEU A 37 3.681 23.463 18.594 1.00 8.96 N ATOM 249 CA LEU A 37 2.391 23.369 19.293 1.00 9.47 C ATOM 250 C LEU A 37 1.258 22.877 18.396 1.00 10.15 C ATOM 251 O LEU A 37 1.184 23.235 17.239 1.00 8.89 O ATOM 252 CB LEU A 37 2.013 24.790 19.739 1.00 12.41 C ATOM 253 CG LEU A 37 2.134 25.171 21.170 1.00 17.83 C ATOM 254 CD1 LEU A 37 1.631 26.612 21.309 1.00 15.43 C ATOM 255 CD2 LEU A 37 1.322 24.197 22.039 1.00 13.21 C ATOM 256 N LEU A 38 0.355 22.135 19.037 1.00 10.88 N ATOM 257 CA LEU A 38 -0.880 21.628 18.483 1.00 11.64 C ATOM 258 C LEU A 38 -0.829 20.630 17.371 1.00 12.66 C ATOM 259 O LEU A 38 -1.979 20.369 16.849 1.00 14.63 O ATOM 260 CB LEU A 38 -1.799 22.826 18.129 1.00 9.03 C ATOM 261 CG LEU A 38 -2.243 23.719 19.256 1.00 19.80 C ATOM 262 CD1 LEU A 38 -3.331 24.706 18.779 1.00 22.52 C ATOM 263 CD2 LEU A 38 -2.891 22.932 20.403 1.00 19.78 C ATOM 264 N VAL A 39 0.315 20.104 17.014 1.00 11.39 N ATOM 265 CA VAL A 39 0.307 19.121 15.907 1.00 11.78 C ATOM 266 C VAL A 39 1.030 17.851 16.283 1.00 12.98 C ATOM 267 O VAL A 39 2.016 17.902 17.041 1.00 14.46 O ATOM 268 CB VAL A 39 0.901 19.772 14.641 1.00 14.77 C ATOM 269 CG1 VAL A 39 0.213 21.051 14.205 1.00 19.18 C ATOM 270 CG2 VAL A 39 2.401 19.995 14.738 1.00 16.66 C ATOM 271 N ASP A 40 0.623 16.750 15.717 1.00 12.89 N ATOM 272 CA ASP A 40 1.306 15.466 15.877 1.00 13.40 C ATOM 273 C ASP A 40 1.713 15.027 14.466 1.00 13.56 C ATOM 274 O ASP A 40 0.764 14.866 13.667 1.00 14.51 O ATOM 275 CB ASP A 40 0.464 14.379 16.500 1.00 16.87 C ATOM 276 CG ASP A 40 0.217 14.594 17.980 1.00 28.17 C ATOM 277 OD1 ASP A 40 1.046 15.206 18.662 1.00 29.75 O ATOM 278 OD2 ASP A 40 -0.859 14.146 18.448 1.00 28.33 O ATOM 279 N THR A 41 2.962 14.856 14.220 1.00 13.76 N ATOM 280 CA THR A 41 3.421 14.353 12.915 1.00 13.85 C ATOM 281 C THR A 41 3.881 12.913 13.124 1.00 15.14 C ATOM 282 O THR A 41 4.222 12.538 14.264 1.00 15.59 O ATOM 283 CB THR A 41 4.635 15.194 12.398 1.00 16.55 C ATOM 284 OG1 THR A 41 5.757 14.983 13.331 1.00 17.69 O ATOM 285 CG2 THR A 41 4.368 16.694 12.349 1.00 20.43 C ATOM 286 N PRO A 42 3.919 12.161 12.052 1.00 15.17 N ATOM 287 CA PRO A 42 4.464 10.783 12.083 1.00 15.95 C ATOM 288 C PRO A 42 5.945 11.041 12.382 1.00 17.98 C ATOM 289 O PRO A 42 6.480 12.082 11.903 1.00 19.32 O ATOM 290 CB PRO A 42 4.252 10.291 10.655 1.00 15.71 C ATOM 291 CG PRO A 42 3.190 11.204 10.111 1.00 15.34 C ATOM 292 CD PRO A 42 3.509 12.574 10.697 1.00 15.36 C ATOM 293 N GLU A 43 6.594 10.266 13.188 1.00 19.10 N ATOM 294 CA GLU A 43 7.976 10.502 13.593 1.00 21.08 C ATOM 295 C GLU A 43 8.962 9.498 12.993 1.00 21.89 C ATOM 296 O GLU A 43 8.550 8.427 12.562 1.00 21.75 O ATOM 297 CB GLU A 43 8.147 10.418 15.134 1.00 22.54 C ATOM 298 CG GLU A 43 7.190 11.350 15.907 1.00 22.27 C ATOM 299 CD GLU A 43 7.192 11.158 17.390 1.00 26.40 C ATOM 300 OE1 GLU A 43 8.327 11.269 17.904 1.00 28.17 O ATOM 301 OE2 GLU A 43 6.187 10.906 18.024 1.00 30.75 O ATOM 302 N THR A 44 10.217 9.956 12.994 1.00 22.70 N ATOM 303 CA THR A 44 11.304 9.093 12.509 1.00 24.32 C ATOM 304 C THR A 44 12.061 8.613 13.775 1.00 26.80 C ATOM 305 O THR A 44 12.830 7.645 13.695 1.00 26.08 O ATOM 306 CB THR A 44 12.254 9.778 11.487 1.00 23.50 C ATOM 307 OG1 THR A 44 12.911 10.900 12.178 1.00 19.18 O ATOM 308 CG2 THR A 44 11.643 10.239 10.162 1.00 23.44 C ATOM 309 N LYS A 45 11.808 9.346 14.872 1.00 28.55 N ATOM 310 CA LYS A 45 12.479 8.978 16.134 1.00 31.81 C ATOM 311 C LYS A 45 11.401 8.772 17.202 1.00 33.71 C ATOM 312 O LYS A 45 11.353 9.303 18.327 1.00 33.03 O ATOM 313 CB LYS A 45 13.660 9.783 16.539 1.00 38.95 C ATOM 314 CG LYS A 45 13.780 11.242 16.202 1.00 44.24 C ATOM 315 CD LYS A 45 15.221 11.674 15.937 1.00 46.39 C ATOM 316 CE LYS A 45 15.670 11.235 14.554 1.00 52.10 C ATOM 317 NZ LYS A 45 16.520 12.274 13.910 1.00 54.08 N ATOM 318 N HIS A 46 10.488 7.914 16.727 1.00 35.33 N ATOM 319 CA HIS A 46 9.339 7.509 17.574 1.00 37.92 C ATOM 320 C HIS A 46 9.978 6.580 18.632 1.00 38.99 C ATOM 321 O HIS A 46 10.754 5.661 18.304 1.00 38.00 O ATOM 322 CB HIS A 46 8.185 6.863 16.772 1.00 43.00 C ATOM 323 CG HIS A 46 7.091 6.488 17.731 1.00 43.60 C ATOM 324 ND1 HIS A 46 7.115 5.342 18.477 1.00 46.03 N ATOM 325 CD2 HIS A 46 6.037 7.201 18.160 1.00 47.40 C ATOM 326 CE1 HIS A 46 6.067 5.323 19.274 1.00 46.57 C ATOM 327 NE2 HIS A 46 5.404 6.437 19.105 1.00 47.53 N ATOM 328 N PRO A 47 9.650 6.890 19.884 1.00 40.39 N ATOM 329 CA PRO A 47 10.179 6.163 21.040 1.00 41.44 C ATOM 330 C PRO A 47 9.956 4.671 21.079 1.00 42.09 C ATOM 331 O PRO A 47 10.826 3.954 21.629 1.00 42.05 O ATOM 332 CB PRO A 47 9.646 6.919 22.262 1.00 41.19 C ATOM 333 CG PRO A 47 9.189 8.263 21.737 1.00 41.29 C ATOM 334 CD PRO A 47 8.753 8.007 20.297 1.00 40.71 C ATOM 335 N LYS A 48 8.873 4.157 20.534 1.00 43.18 N ATOM 336 CA LYS A 48 8.569 2.724 20.538 1.00 44.44 C ATOM 337 C LYS A 48 8.714 2.094 19.159 1.00 45.08 C ATOM 338 O LYS A 48 9.263 0.991 18.976 1.00 45.33 O ATOM 339 CB LYS A 48 7.147 2.460 21.009 1.00 51.98 C ATOM 340 CG LYS A 48 6.936 2.679 22.520 1.00 63.43 C ATOM 341 CD LYS A 48 5.518 2.188 22.869 1.00 75.26 C ATOM 342 CE LYS A 48 5.400 1.617 24.269 1.00 79.99 C ATOM 343 NZ LYS A 48 4.068 0.970 24.477 1.00 81.76 N ATOM 344 N LYS A 49 8.184 2.855 18.201 1.00 45.02 N ATOM 345 CA LYS A 49 8.171 2.447 16.790 1.00 44.18 C ATOM 346 C LYS A 49 9.356 2.848 15.954 1.00 43.16 C ATOM 347 O LYS A 49 9.585 2.139 14.921 1.00 43.31 O ATOM 348 CB LYS A 49 6.865 2.951 16.153 1.00 49.62 C ATOM 349 CG LYS A 49 5.626 2.589 16.987 1.00 58.62 C ATOM 350 CD LYS A 49 4.410 3.422 16.611 1.00 65.37 C ATOM 351 CE LYS A 49 3.474 2.704 15.651 1.00 69.67 C ATOM 352 NZ LYS A 49 2.642 3.681 14.876 1.00 73.30 N ATOM 353 N GLY A 50 10.095 3.900 16.291 1.00 41.76 N ATOM 354 CA GLY A 50 11.250 4.304 15.419 1.00 40.25 C ATOM 355 C GLY A 50 10.757 5.194 14.252 1.00 38.52 C ATOM 356 O GLY A 50 10.402 6.351 14.542 1.00 37.82 O ATOM 357 N VAL A 51 10.760 4.655 13.025 1.00 36.30 N ATOM 358 CA VAL A 51 10.314 5.383 11.832 1.00 33.82 C ATOM 359 C VAL A 51 8.911 4.953 11.367 1.00 32.37 C ATOM 360 O VAL A 51 8.767 3.855 10.837 1.00 32.62 O ATOM 361 CB VAL A 51 11.303 5.210 10.646 1.00 32.57 C ATOM 362 CG1 VAL A 51 10.879 5.902 9.348 1.00 28.02 C ATOM 363 CG2 VAL A 51 12.708 5.683 10.992 1.00 36.08 C ATOM 364 N GLU A 52 7.943 5.819 11.478 1.00 30.12 N ATOM 365 CA GLU A 52 6.566 5.551 11.059 1.00 28.59 C ATOM 366 C GLU A 52 6.360 5.975 9.621 1.00 27.70 C ATOM 367 O GLU A 52 7.184 6.700 9.052 1.00 26.79 O ATOM 368 CB GLU A 52 5.648 6.394 11.941 1.00 24.76 C ATOM 369 CG GLU A 52 5.967 6.326 13.443 1.00 24.87 C ATOM 370 CD GLU A 52 5.059 7.226 14.243 1.00 34.50 C ATOM 371 OE1 GLU A 52 5.316 8.400 14.431 1.00 36.37 O ATOM 372 OE2 GLU A 52 4.002 6.689 14.669 1.00 34.40 O ATOM 373 N LYS A 53 5.263 5.526 9.043 1.00 27.52 N ATOM 374 CA LYS A 53 4.878 5.859 7.653 1.00 26.73 C ATOM 375 C LYS A 53 4.565 7.353 7.560 1.00 25.75 C ATOM 376 O LYS A 53 3.747 7.909 8.328 1.00 26.19 O ATOM 377 CB LYS A 53 3.643 5.015 7.294 1.00 28.68 C ATOM 378 CG LYS A 53 3.132 5.353 5.892 1.00 39.28 C ATOM 379 CD LYS A 53 2.277 4.205 5.368 1.00 50.70 C ATOM 380 CE LYS A 53 2.492 4.016 3.874 1.00 56.16 C ATOM 381 NZ LYS A 53 2.215 5.278 3.141 1.00 61.37 N ATOM 382 N TYR A 54 5.185 8.049 6.618 1.00 24.02 N ATOM 383 CA TYR A 54 5.056 9.482 6.392 1.00 21.40 C ATOM 384 C TYR A 54 6.004 10.227 7.345 1.00 19.68 C ATOM 385 O TYR A 54 6.073 11.452 7.239 1.00 19.80 O ATOM 386 CB TYR A 54 3.630 10.065 6.498 1.00 18.76 C ATOM 387 CG TYR A 54 2.789 9.611 5.313 1.00 21.55 C ATOM 388 CD1 TYR A 54 3.020 10.079 4.024 1.00 27.54 C ATOM 389 CD2 TYR A 54 1.778 8.670 5.503 1.00 28.50 C ATOM 390 CE1 TYR A 54 2.244 9.657 2.946 1.00 31.43 C ATOM 391 CE2 TYR A 54 0.984 8.234 4.444 1.00 29.02 C ATOM 392 CZ TYR A 54 1.217 8.733 3.167 1.00 32.99 C ATOM 393 OH TYR A 54 0.435 8.271 2.137 1.00 30.66 O ATOM 394 N GLY A 55 6.725 9.525 8.173 1.00 18.32 N ATOM 395 CA GLY A 55 7.695 10.103 9.107 1.00 17.26 C ATOM 396 C GLY A 55 8.793 10.852 8.367 1.00 16.53 C ATOM 397 O GLY A 55 9.092 12.054 8.617 1.00 16.40 O ATOM 398 N PRO A 56 9.403 10.192 7.420 1.00 16.38 N ATOM 399 CA PRO A 56 10.510 10.782 6.628 1.00 15.80 C ATOM 400 C PRO A 56 10.008 11.978 5.842 1.00 15.06 C ATOM 401 O PRO A 56 10.747 12.976 5.729 1.00 15.63 O ATOM 402 CB PRO A 56 10.963 9.640 5.747 1.00 16.79 C ATOM 403 CG PRO A 56 10.652 8.438 6.650 1.00 16.54 C ATOM 404 CD PRO A 56 9.180 8.778 7.044 1.00 16.49 C ATOM 405 N GLU A 57 8.814 11.881 5.326 1.00 13.46 N ATOM 406 CA GLU A 57 8.209 12.957 4.548 1.00 13.63 C ATOM 407 C GLU A 57 7.926 14.211 5.377 1.00 13.59 C ATOM 408 O GLU A 57 8.182 15.351 4.933 1.00 13.84 O ATOM 409 CB GLU A 57 6.908 12.494 3.893 1.00 16.62 C ATOM 410 CG GLU A 57 7.040 11.493 2.731 1.00 21.35 C ATOM 411 CD GLU A 57 7.364 10.079 3.105 1.00 28.14 C ATOM 412 OE1 GLU A 57 7.418 9.606 4.224 1.00 24.85 O ATOM 413 OE2 GLU A 57 7.634 9.394 2.091 1.00 34.06 O ATOM 414 N ALA A 58 7.367 13.994 6.568 1.00 13.36 N ATOM 415 CA ALA A 58 7.032 15.160 7.444 1.00 11.82 C ATOM 416 C ALA A 58 8.333 15.790 7.878 1.00 11.81 C ATOM 417 O ALA A 58 8.457 17.007 7.962 1.00 10.80 O ATOM 418 CB ALA A 58 6.159 14.719 8.584 1.00 14.24 C ATOM 419 N SER A 59 9.314 14.917 8.126 1.00 11.72 N ATOM 420 CA SER A 59 10.646 15.378 8.545 1.00 12.25 C ATOM 421 C SER A 59 11.293 16.249 7.467 1.00 12.68 C ATOM 422 O SER A 59 11.873 17.327 7.744 1.00 12.42 O ATOM 423 CB SER A 59 11.497 14.176 8.924 1.00 14.67 C ATOM 424 OG SER A 59 12.703 14.582 9.508 1.00 24.97 O ATOM 425 N ALA A 60 11.231 15.804 6.236 1.00 12.13 N ATOM 426 CA ALA A 60 11.844 16.578 5.126 1.00 12.10 C ATOM 427 C ALA A 60 11.088 17.874 4.917 1.00 12.03 C ATOM 428 O ALA A 60 11.722 18.914 4.591 1.00 13.15 O ATOM 429 CB ALA A 60 11.850 15.698 3.893 1.00 13.71 C ATOM 430 N PHE A 61 9.784 17.865 5.049 1.00 11.07 N ATOM 431 CA PHE A 61 8.940 19.082 4.881 1.00 11.17 C ATOM 432 C PHE A 61 9.361 20.196 5.839 1.00 10.59 C ATOM 433 O PHE A 61 9.696 21.331 5.443 1.00 10.56 O ATOM 434 CB PHE A 61 7.438 18.690 5.039 1.00 12.53 C ATOM 435 CG PHE A 61 6.500 19.819 4.670 1.00 11.79 C ATOM 436 CD1 PHE A 61 6.169 20.782 5.606 1.00 14.17 C ATOM 437 CD2 PHE A 61 6.005 19.885 3.377 1.00 17.73 C ATOM 438 CE1 PHE A 61 5.293 21.821 5.275 1.00 16.61 C ATOM 439 CE2 PHE A 61 5.158 20.920 2.991 1.00 16.96 C ATOM 440 CZ PHE A 61 4.808 21.872 3.962 1.00 16.03 C ATOM 441 N THR A 62 9.372 19.895 7.146 1.00 9.65 N ATOM 442 CA THR A 62 9.797 20.864 8.157 1.00 9.85 C ATOM 443 C THR A 62 11.198 21.423 7.878 1.00 9.52 C ATOM 444 O THR A 62 11.442 22.657 7.908 1.00 10.16 O ATOM 445 CB THR A 62 9.703 20.244 9.592 1.00 8.31 C ATOM 446 OG1 THR A 62 8.289 19.861 9.764 1.00 10.88 O ATOM 447 CG2 THR A 62 10.223 21.147 10.712 1.00 9.62 C ATOM 448 N LYS A 63 12.132 20.540 7.627 1.00 9.61 N ATOM 449 CA LYS A 63 13.561 20.877 7.373 1.00 10.87 C ATOM 450 C LYS A 63 13.693 21.857 6.217 1.00 11.30 C ATOM 451 O LYS A 63 14.348 22.891 6.350 1.00 11.56 O ATOM 452 CB LYS A 63 14.359 19.621 7.073 1.00 12.09 C ATOM 453 CG LYS A 63 15.851 19.762 6.774 1.00 18.31 C ATOM 454 CD LYS A 63 16.417 18.329 6.698 1.00 23.85 C ATOM 455 CE LYS A 63 17.868 18.293 7.133 1.00 32.94 C ATOM 456 NZ LYS A 63 18.714 18.986 6.130 1.00 29.77 N ATOM 457 N LYS A 64 13.045 21.528 5.115 1.00 11.72 N ATOM 458 CA LYS A 64 13.089 22.392 3.929 1.00 13.02 C ATOM 459 C LYS A 64 12.554 23.787 4.250 1.00 13.47 C ATOM 460 O LYS A 64 13.108 24.845 3.883 1.00 13.05 O ATOM 461 CB LYS A 64 12.261 21.804 2.770 1.00 24.38 C ATOM 462 CG LYS A 64 12.690 22.381 1.420 1.00 46.43 C ATOM 463 CD LYS A 64 12.070 21.786 0.175 1.00 57.37 C ATOM 464 CE LYS A 64 12.171 22.651 -1.070 1.00 60.89 C ATOM 465 NZ LYS A 64 13.299 22.292 -1.972 1.00 65.53 N ATOM 466 N MET A 65 11.422 23.729 4.942 1.00 12.65 N ATOM 467 CA MET A 65 10.735 25.028 5.240 1.00 13.32 C ATOM 468 C MET A 65 11.594 25.931 6.074 1.00 12.84 C ATOM 469 O MET A 65 11.622 27.157 5.837 1.00 13.49 O ATOM 470 CB MET A 65 9.319 24.716 5.737 1.00 17.06 C ATOM 471 CG MET A 65 8.517 25.965 5.975 1.00 17.61 C ATOM 472 SD MET A 65 6.740 25.452 6.156 1.00 17.24 S ATOM 473 CE MET A 65 6.045 27.119 6.184 1.00 18.78 C ATOM 474 N VAL A 66 12.274 25.395 7.059 1.00 12.38 N ATOM 475 CA VAL A 66 13.079 26.266 7.938 1.00 12.45 C ATOM 476 C VAL A 66 14.438 26.571 7.342 1.00 13.94 C ATOM 477 O VAL A 66 14.970 27.668 7.612 1.00 14.54 O ATOM 478 CB VAL A 66 13.135 25.731 9.368 1.00 14.49 C ATOM 479 CG1 VAL A 66 11.798 25.857 10.101 1.00 12.67 C ATOM 480 CG2 VAL A 66 13.712 24.336 9.501 1.00 11.15 C ATOM 481 N GLU A 67 14.955 25.627 6.573 1.00 14.22 N ATOM 482 CA GLU A 67 16.342 25.850 6.075 1.00 15.84 C ATOM 483 C GLU A 67 16.374 26.904 5.008 1.00 16.46 C ATOM 484 O GLU A 67 17.394 27.610 4.848 1.00 17.43 O ATOM 485 CB GLU A 67 16.980 24.546 5.632 1.00 12.72 C ATOM 486 CG GLU A 67 17.567 23.659 6.732 1.00 19.56 C ATOM 487 CD GLU A 67 18.214 22.368 6.327 1.00 26.65 C ATOM 488 OE1 GLU A 67 18.169 21.902 5.189 1.00 29.70 O ATOM 489 OE2 GLU A 67 18.766 21.780 7.286 1.00 28.26 O ATOM 490 N ASN A 68 15.265 26.990 4.306 1.00 17.74 N ATOM 491 CA ASN A 68 15.177 27.934 3.183 1.00 18.37 C ATOM 492 C ASN A 68 14.660 29.305 3.514 1.00 18.07 C ATOM 493 O ASN A 68 14.526 30.120 2.565 1.00 18.93 O ATOM 494 CB ASN A 68 14.353 27.222 2.080 1.00 21.57 C ATOM 495 CG ASN A 68 15.196 26.171 1.390 1.00 32.19 C ATOM 496 OD1 ASN A 68 14.583 25.172 0.967 1.00 43.67 O ATOM 497 ND2 ASN A 68 16.501 26.350 1.247 1.00 30.73 N ATOM 498 N ALA A 69 14.344 29.541 4.768 1.00 16.63 N ATOM 499 CA ALA A 69 13.731 30.816 5.147 1.00 15.69 C ATOM 500 C ALA A 69 14.733 31.952 5.291 1.00 15.71 C ATOM 501 O ALA A 69 15.866 31.669 5.694 1.00 16.60 O ATOM 502 CB ALA A 69 13.040 30.561 6.504 1.00 14.50 C ATOM 503 N LYS A 70 14.234 33.173 5.093 1.00 14.03 N ATOM 504 CA LYS A 70 15.090 34.340 5.328 1.00 13.90 C ATOM 505 C LYS A 70 14.991 34.697 6.824 1.00 12.66 C ATOM 506 O LYS A 70 15.956 35.194 7.406 1.00 12.94 O ATOM 507 CB LYS A 70 14.560 35.618 4.656 1.00 16.36 C ATOM 508 CG LYS A 70 13.980 35.379 3.274 1.00 25.10 C ATOM 509 CD LYS A 70 14.292 36.610 2.418 1.00 24.38 C ATOM 510 CE LYS A 70 13.304 37.748 2.625 1.00 24.59 C ATOM 511 NZ LYS A 70 13.400 38.616 1.400 1.00 19.26 N ATOM 512 N LYS A 71 13.768 34.564 7.329 1.00 11.23 N ATOM 513 CA LYS A 71 13.496 34.933 8.708 1.00 10.77 C ATOM 514 C LYS A 71 12.674 33.895 9.433 1.00 11.05 C ATOM 515 O LYS A 71 11.614 33.551 8.880 1.00 11.52 O ATOM 516 CB LYS A 71 12.540 36.195 8.660 1.00 11.60 C ATOM 517 CG LYS A 71 13.302 37.424 8.129 1.00 26.01 C ATOM 518 CD LYS A 71 12.356 38.618 7.978 1.00 29.32 C ATOM 519 CE LYS A 71 13.000 39.851 7.338 1.00 34.96 C ATOM 520 NZ LYS A 71 11.956 40.919 7.120 1.00 27.80 N ATOM 521 N ILE A 72 13.100 33.495 10.598 1.00 10.73 N ATOM 522 CA ILE A 72 12.293 32.551 11.424 1.00 10.08 C ATOM 523 C ILE A 72 11.794 33.378 12.627 1.00 10.06 C ATOM 524 O ILE A 72 12.617 34.142 13.209 1.00 9.19 O ATOM 525 CB ILE A 72 13.102 31.309 11.890 1.00 6.71 C ATOM 526 CG1 ILE A 72 13.422 30.370 10.685 1.00 11.50 C ATOM 527 CG2 ILE A 72 12.353 30.463 12.962 1.00 9.94 C ATOM 528 CD1 ILE A 72 14.488 29.277 11.096 1.00 16.29 C ATOM 529 N GLU A 73 10.551 33.139 13.013 1.00 8.67 N ATOM 530 CA GLU A 73 10.005 33.810 14.215 1.00 8.60 C ATOM 531 C GLU A 73 9.297 32.743 15.066 1.00 9.57 C ATOM 532 O GLU A 73 8.811 31.760 14.483 1.00 9.84 O ATOM 533 CB GLU A 73 9.038 34.892 13.866 1.00 9.61 C ATOM 534 CG GLU A 73 9.668 35.961 12.953 1.00 16.02 C ATOM 535 CD GLU A 73 8.666 36.935 12.401 1.00 21.56 C ATOM 536 OE1 GLU A 73 7.812 36.407 11.668 1.00 21.57 O ATOM 537 OE2 GLU A 73 8.742 38.096 12.722 1.00 24.41 O ATOM 538 N VAL A 74 9.328 32.934 16.386 1.00 9.45 N ATOM 539 CA VAL A 74 8.656 32.006 17.301 1.00 10.33 C ATOM 540 C VAL A 74 7.530 32.825 17.970 1.00 11.01 C ATOM 541 O VAL A 74 7.728 34.042 18.228 1.00 12.23 O ATOM 542 CB VAL A 74 9.640 31.412 18.322 1.00 13.60 C ATOM 543 CG1 VAL A 74 10.743 30.581 17.681 1.00 12.19 C ATOM 544 CG2 VAL A 74 10.278 32.493 19.129 1.00 16.24 C ATOM 545 N GLU A 75 6.437 32.139 18.226 1.00 9.32 N ATOM 546 CA GLU A 75 5.288 32.831 18.877 1.00 10.62 C ATOM 547 C GLU A 75 4.785 31.868 19.976 1.00 9.96 C ATOM 548 O GLU A 75 4.304 30.796 19.614 1.00 9.87 O ATOM 549 CB GLU A 75 4.189 33.043 17.843 1.00 9.57 C ATOM 550 CG GLU A 75 2.858 33.563 18.346 1.00 12.88 C ATOM 551 CD GLU A 75 1.881 33.790 17.239 1.00 18.00 C ATOM 552 OE1 GLU A 75 1.386 32.795 16.693 1.00 11.99 O ATOM 553 OE2 GLU A 75 1.635 34.919 16.854 1.00 23.72 O ATOM 554 N PHE A 76 4.967 32.241 21.233 1.00 10.58 N ATOM 555 CA PHE A 76 4.471 31.392 22.341 1.00 9.84 C ATOM 556 C PHE A 76 2.967 31.643 22.486 1.00 11.11 C ATOM 557 O PHE A 76 2.477 32.723 22.069 1.00 10.46 O ATOM 558 CB PHE A 76 5.178 31.736 23.614 1.00 12.46 C ATOM 559 CG PHE A 76 6.641 31.361 23.648 1.00 14.41 C ATOM 560 CD1 PHE A 76 7.033 30.056 23.897 1.00 12.55 C ATOM 561 CD2 PHE A 76 7.588 32.372 23.436 1.00 16.84 C ATOM 562 CE1 PHE A 76 8.404 29.747 23.947 1.00 16.03 C ATOM 563 CE2 PHE A 76 8.941 32.080 23.478 1.00 17.79 C ATOM 564 CZ PHE A 76 9.349 30.775 23.728 1.00 17.15 C ATOM 565 N ASP A 77 2.265 30.652 23.045 1.00 10.29 N ATOM 566 CA ASP A 77 0.788 30.844 23.259 1.00 10.64 C ATOM 567 C ASP A 77 0.599 31.460 24.655 1.00 12.07 C ATOM 568 O ASP A 77 1.577 31.962 25.239 1.00 11.62 O ATOM 569 CB ASP A 77 0.070 29.524 23.056 1.00 12.95 C ATOM 570 CG ASP A 77 -1.399 29.748 22.691 1.00 21.08 C ATOM 571 OD1 ASP A 77 -1.943 30.803 23.144 1.00 18.53 O ATOM 572 OD2 ASP A 77 -2.003 28.932 21.984 1.00 17.32 O ATOM 573 N LYS A 78 -0.592 31.415 25.212 1.00 12.65 N ATOM 574 CA LYS A 78 -0.859 32.013 26.548 1.00 13.39 C ATOM 575 C LYS A 78 -0.548 31.157 27.740 1.00 13.19 C ATOM 576 O LYS A 78 -0.628 31.750 28.852 1.00 15.35 O ATOM 577 CB LYS A 78 -2.364 32.306 26.643 1.00 16.72 C ATOM 578 CG LYS A 78 -2.830 33.344 25.606 1.00 33.98 C ATOM 579 CD LYS A 78 -4.344 33.145 25.417 1.00 46.34 C ATOM 580 CE LYS A 78 -4.939 34.078 24.365 1.00 55.12 C ATOM 581 NZ LYS A 78 -6.265 33.504 23.921 1.00 60.88 N ATOM 582 N GLY A 79 -0.293 29.882 27.650 1.00 13.05 N ATOM 583 CA GLY A 79 -0.068 29.018 28.805 1.00 12.02 C ATOM 584 C GLY A 79 1.414 28.757 28.994 1.00 13.10 C ATOM 585 O GLY A 79 2.236 29.666 28.711 1.00 13.36 O ATOM 586 N GLN A 80 1.745 27.542 29.454 1.00 11.43 N ATOM 587 CA GLN A 80 3.146 27.198 29.683 1.00 12.30 C ATOM 588 C GLN A 80 3.933 27.262 28.358 1.00 11.12 C ATOM 589 O GLN A 80 3.397 26.966 27.274 1.00 11.90 O ATOM 590 CB GLN A 80 3.378 25.891 30.395 1.00 21.57 C ATOM 591 CG GLN A 80 2.599 24.763 29.759 1.00 31.57 C ATOM 592 CD GLN A 80 1.378 24.581 30.690 1.00 46.79 C ATOM 593 OE1 GLN A 80 0.344 25.214 30.428 1.00 49.05 O ATOM 594 NE2 GLN A 80 1.633 23.774 31.714 1.00 42.81 N ATOM 595 N ARG A 81 5.173 27.696 28.503 1.00 10.92 N ATOM 596 CA ARG A 81 6.050 27.830 27.329 1.00 10.72 C ATOM 597 C ARG A 81 7.015 26.696 27.159 1.00 11.64 C ATOM 598 O ARG A 81 7.690 26.702 26.096 1.00 11.16 O ATOM 599 CB ARG A 81 6.735 29.188 27.304 1.00 12.29 C ATOM 600 CG ARG A 81 5.652 30.287 27.310 1.00 15.96 C ATOM 601 CD ARG A 81 6.226 31.653 27.276 1.00 24.98 C ATOM 602 NE ARG A 81 5.183 32.593 27.628 1.00 37.75 N ATOM 603 CZ ARG A 81 5.129 33.891 27.320 1.00 44.96 C ATOM 604 NH1 ARG A 81 6.033 34.516 26.587 1.00 46.23 N ATOM 605 NH2 ARG A 81 4.039 34.494 27.826 1.00 48.51 N ATOM 606 N THR A 82 7.148 25.787 28.096 1.00 12.22 N ATOM 607 CA THR A 82 8.061 24.611 27.921 1.00 12.52 C ATOM 608 C THR A 82 7.354 23.347 28.336 1.00 12.97 C ATOM 609 O THR A 82 6.455 23.444 29.211 1.00 14.11 O ATOM 610 CB THR A 82 9.465 24.818 28.627 1.00 16.50 C ATOM 611 OG1 THR A 82 9.176 24.734 30.060 1.00 21.88 O ATOM 612 CG2 THR A 82 10.148 26.163 28.392 1.00 15.98 C ATOM 613 N ASP A 83 7.667 22.201 27.752 1.00 12.87 N ATOM 614 CA ASP A 83 7.026 20.907 28.157 1.00 13.04 C ATOM 615 C ASP A 83 7.909 20.236 29.232 1.00 13.72 C ATOM 616 O ASP A 83 8.951 20.807 29.629 1.00 13.62 O ATOM 617 CB ASP A 83 6.786 19.992 26.971 1.00 11.95 C ATOM 618 CG ASP A 83 8.057 19.459 26.324 1.00 11.58 C ATOM 619 OD1 ASP A 83 9.210 19.587 26.795 1.00 13.24 O ATOM 620 OD2 ASP A 83 7.877 18.900 25.221 1.00 16.49 O ATOM 621 N LYS A 84 7.532 19.007 29.591 1.00 13.60 N ATOM 622 CA LYS A 84 8.269 18.282 30.631 1.00 15.07 C ATOM 623 C LYS A 84 9.678 17.892 30.215 1.00 14.63 C ATOM 624 O LYS A 84 10.442 17.485 31.091 1.00 15.89 O ATOM 625 CB LYS A 84 7.494 17.082 31.176 1.00 17.62 C ATOM 626 CG LYS A 84 7.414 15.913 30.183 1.00 26.34 C ATOM 627 CD LYS A 84 6.787 14.736 30.926 1.00 33.85 C ATOM 628 CE LYS A 84 5.769 14.005 30.089 1.00 39.31 C ATOM 629 NZ LYS A 84 6.375 13.045 29.140 1.00 48.09 N ATOM 630 N TYR A 85 10.008 18.001 28.949 1.00 13.78 N ATOM 631 CA TYR A 85 11.352 17.636 28.469 1.00 13.75 C ATOM 632 C TYR A 85 12.206 18.867 28.271 1.00 13.62 C ATOM 633 O TYR A 85 13.361 18.752 27.753 1.00 14.31 O ATOM 634 CB TYR A 85 11.300 16.742 27.217 1.00 13.52 C ATOM 635 CG TYR A 85 10.594 15.417 27.412 1.00 20.69 C ATOM 636 CD1 TYR A 85 11.287 14.328 27.966 1.00 16.15 C ATOM 637 CD2 TYR A 85 9.252 15.248 27.075 1.00 17.62 C ATOM 638 CE1 TYR A 85 10.656 13.114 28.164 1.00 21.55 C ATOM 639 CE2 TYR A 85 8.603 14.033 27.280 1.00 20.58 C ATOM 640 CZ TYR A 85 9.309 12.972 27.855 1.00 23.05 C ATOM 641 OH TYR A 85 8.723 11.759 28.097 1.00 28.98 O ATOM 642 N GLY A 86 11.632 20.030 28.609 1.00 12.45 N ATOM 643 CA GLY A 86 12.423 21.282 28.484 1.00 11.86 C ATOM 644 C GLY A 86 12.366 21.849 27.074 1.00 11.07 C ATOM 645 O GLY A 86 13.138 22.787 26.771 1.00 11.29 O ATOM 646 N ARG A 87 11.491 21.324 26.251 1.00 9.38 N ATOM 647 CA ARG A 87 11.366 21.900 24.870 1.00 10.12 C ATOM 648 C ARG A 87 10.430 23.121 24.942 1.00 9.54 C ATOM 649 O ARG A 87 9.405 23.081 25.669 1.00 10.44 O ATOM 650 CB ARG A 87 10.788 20.840 23.895 1.00 7.50 C ATOM 651 CG ARG A 87 11.613 19.543 23.944 1.00 11.11 C ATOM 652 CD ARG A 87 11.102 18.577 22.913 1.00 14.17 C ATOM 653 NE ARG A 87 9.883 17.939 23.476 1.00 17.31 N ATOM 654 CZ ARG A 87 9.194 17.075 22.719 1.00 21.75 C ATOM 655 NH1 ARG A 87 9.607 16.661 21.510 1.00 23.05 N ATOM 656 NH2 ARG A 87 8.032 16.642 23.167 1.00 15.87 N ATOM 657 N GLY A 88 10.712 24.123 24.143 1.00 7.99 N ATOM 658 CA GLY A 88 9.826 25.326 24.047 1.00 8.95 C ATOM 659 C GLY A 88 8.559 24.890 23.269 1.00 8.87 C ATOM 660 O GLY A 88 8.668 24.018 22.387 1.00 8.59 O ATOM 661 N LEU A 89 7.407 25.448 23.605 1.00 7.79 N ATOM 662 CA LEU A 89 6.135 25.109 22.944 1.00 7.22 C ATOM 663 C LEU A 89 5.705 26.360 22.179 1.00 7.51 C ATOM 664 O LEU A 89 5.366 27.356 22.847 1.00 8.95 O ATOM 665 CB LEU A 89 5.081 24.727 24.019 1.00 6.35 C ATOM 666 CG LEU A 89 5.314 23.420 24.770 1.00 8.10 C ATOM 667 CD1 LEU A 89 4.191 23.146 25.798 1.00 11.85 C ATOM 668 CD2 LEU A 89 5.276 22.288 23.750 1.00 12.54 C ATOM 669 N ALA A 90 5.766 26.285 20.852 1.00 7.31 N ATOM 670 CA ALA A 90 5.415 27.548 20.128 1.00 7.58 C ATOM 671 C ALA A 90 4.911 27.277 18.746 1.00 7.27 C ATOM 672 O ALA A 90 5.011 26.108 18.284 1.00 8.53 O ATOM 673 CB ALA A 90 6.778 28.316 19.990 1.00 8.39 C ATOM 674 N TYR A 91 4.417 28.295 18.119 1.00 5.88 N ATOM 675 CA TYR A 91 4.026 28.236 16.676 1.00 5.32 C ATOM 676 C TYR A 91 5.297 28.790 16.010 1.00 6.31 C ATOM 677 O TYR A 91 5.883 29.776 16.556 1.00 6.80 O ATOM 678 CB TYR A 91 2.837 29.197 16.546 1.00 6.93 C ATOM 679 CG TYR A 91 1.629 28.833 17.389 1.00 7.01 C ATOM 680 CD1 TYR A 91 0.872 27.691 17.038 1.00 9.75 C ATOM 681 CD2 TYR A 91 1.239 29.583 18.469 1.00 9.00 C ATOM 682 CE1 TYR A 91 -0.238 27.309 17.788 1.00 9.67 C ATOM 683 CE2 TYR A 91 0.107 29.232 19.214 1.00 8.91 C ATOM 684 CZ TYR A 91 -0.617 28.104 18.849 1.00 9.20 C ATOM 685 OH TYR A 91 -1.732 27.827 19.597 1.00 14.95 O ATOM 686 N ILE A 92 5.794 28.175 14.971 1.00 6.31 N ATOM 687 CA ILE A 92 7.058 28.653 14.345 1.00 6.33 C ATOM 688 C ILE A 92 6.668 29.209 12.969 1.00 6.65 C ATOM 689 O ILE A 92 5.863 28.494 12.324 1.00 7.60 O ATOM 690 CB ILE A 92 8.058 27.475 14.196 1.00 7.89 C ATOM 691 CG1 ILE A 92 8.373 26.893 15.573 1.00 11.29 C ATOM 692 CG2 ILE A 92 9.325 27.896 13.362 1.00 7.25 C ATOM 693 CD1 ILE A 92 9.194 27.703 16.562 1.00 21.11 C ATOM 694 N TYR A 93 7.249 30.334 12.609 1.00 6.62 N ATOM 695 CA TYR A 93 6.933 30.962 11.324 1.00 7.33 C ATOM 696 C TYR A 93 8.214 31.065 10.473 1.00 8.71 C ATOM 697 O TYR A 93 9.283 31.400 11.021 1.00 9.72 O ATOM 698 CB TYR A 93 6.367 32.377 11.555 1.00 8.82 C ATOM 699 CG TYR A 93 5.018 32.453 12.231 1.00 4.14 C ATOM 700 CD1 TYR A 93 4.881 32.321 13.605 1.00 7.94 C ATOM 701 CD2 TYR A 93 3.859 32.618 11.477 1.00 5.41 C ATOM 702 CE1 TYR A 93 3.641 32.365 14.255 1.00 7.58 C ATOM 703 CE2 TYR A 93 2.603 32.694 12.096 1.00 12.59 C ATOM 704 CZ TYR A 93 2.500 32.562 13.473 1.00 13.61 C ATOM 705 OH TYR A 93 1.281 32.628 14.111 1.00 12.26 O ATOM 706 N ALA A 94 8.075 30.712 9.231 1.00 8.29 N ATOM 707 CA ALA A 94 9.135 30.789 8.209 1.00 9.10 C ATOM 708 C ALA A 94 8.603 31.808 7.176 1.00 9.95 C ATOM 709 O ALA A 94 7.597 31.575 6.494 1.00 9.58 O ATOM 710 CB ALA A 94 9.450 29.403 7.684 1.00 6.88 C ATOM 711 N ASP A 95 9.273 32.969 7.159 1.00 9.65 N ATOM 712 CA ASP A 95 8.901 34.069 6.247 1.00 10.99 C ATOM 713 C ASP A 95 7.393 34.361 6.355 1.00 11.24 C ATOM 714 O ASP A 95 6.724 34.479 5.313 1.00 12.02 O ATOM 715 CB ASP A 95 9.346 33.803 4.790 1.00 12.47 C ATOM 716 CG ASP A 95 10.883 33.712 4.685 1.00 12.72 C ATOM 717 OD1 ASP A 95 11.580 34.526 5.373 1.00 16.16 O ATOM 718 OD2 ASP A 95 11.329 32.844 3.949 1.00 16.33 O ATOM 719 N GLY A 96 6.944 34.471 7.563 1.00 11.55 N ATOM 720 CA GLY A 96 5.528 34.743 7.817 1.00 12.49 C ATOM 721 C GLY A 96 4.591 33.595 7.653 1.00 13.42 C ATOM 722 O GLY A 96 3.374 33.838 7.979 1.00 14.35 O ATOM 723 N LYS A 97 4.998 32.425 7.246 1.00 13.26 N ATOM 724 CA LYS A 97 4.083 31.251 7.096 1.00 11.99 C ATOM 725 C LYS A 97 4.221 30.339 8.323 1.00 10.96 C ATOM 726 O LYS A 97 5.367 29.944 8.624 1.00 10.42 O ATOM 727 CB LYS A 97 4.416 30.355 5.891 1.00 13.44 C ATOM 728 CG LYS A 97 4.293 31.145 4.596 1.00 30.97 C ATOM 729 CD LYS A 97 4.921 30.418 3.413 1.00 46.55 C ATOM 730 CE LYS A 97 5.790 31.367 2.581 1.00 54.42 C ATOM 731 NZ LYS A 97 6.253 30.715 1.324 1.00 57.35 N ATOM 732 N MET A 98 3.109 29.984 8.949 1.00 9.82 N ATOM 733 CA MET A 98 3.202 29.116 10.173 1.00 6.92 C ATOM 734 C MET A 98 3.552 27.689 9.720 1.00 6.65 C ATOM 735 O MET A 98 2.825 27.071 8.911 1.00 7.29 O ATOM 736 CB MET A 98 1.889 29.210 10.971 1.00 7.84 C ATOM 737 CG MET A 98 2.144 28.694 12.398 1.00 9.64 C ATOM 738 SD MET A 98 0.527 28.187 13.136 1.00 13.15 S ATOM 739 CE MET A 98 -0.306 29.794 13.114 1.00 13.10 C ATOM 740 N VAL A 99 4.647 27.144 10.231 1.00 5.27 N ATOM 741 CA VAL A 99 5.049 25.760 9.895 1.00 5.91 C ATOM 742 C VAL A 99 3.973 24.792 10.409 1.00 5.96 C ATOM 743 O VAL A 99 3.691 23.769 9.778 1.00 6.46 O ATOM 744 CB VAL A 99 6.445 25.441 10.538 1.00 7.70 C ATOM 745 CG1 VAL A 99 6.891 24.013 10.221 1.00 7.58 C ATOM 746 CG2 VAL A 99 7.516 26.397 9.987 1.00 7.76 C ATOM 747 N ASN A 100 3.451 25.103 11.599 1.00 6.33 N ATOM 748 CA ASN A 100 2.435 24.209 12.205 1.00 7.18 C ATOM 749 C ASN A 100 1.272 23.992 11.244 1.00 7.52 C ATOM 750 O ASN A 100 0.804 22.846 11.046 1.00 8.00 O ATOM 751 CB ASN A 100 1.993 24.684 13.564 1.00 4.36 C ATOM 752 CG ASN A 100 3.086 25.203 14.470 1.00 8.59 C ATOM 753 OD1 ASN A 100 3.952 25.993 14.079 1.00 7.69 O ATOM 754 ND2 ASN A 100 2.985 24.805 15.746 1.00 6.89 N ATOM 755 N GLU A 101 0.785 25.127 10.733 1.00 8.64 N ATOM 756 CA GLU A 101 -0.413 25.018 9.796 1.00 8.56 C ATOM 757 C GLU A 101 -0.040 24.362 8.505 1.00 8.03 C ATOM 758 O GLU A 101 -0.809 23.546 7.969 1.00 8.19 O ATOM 759 CB GLU A 101 -1.023 26.414 9.586 1.00 14.07 C ATOM 760 CG GLU A 101 -2.368 26.464 8.817 1.00 13.18 C ATOM 761 CD GLU A 101 -2.182 26.488 7.325 1.00 21.06 C ATOM 762 OE1 GLU A 101 -1.168 26.912 6.792 1.00 18.63 O ATOM 763 OE2 GLU A 101 -3.135 25.918 6.727 1.00 19.93 O ATOM 764 N ALA A 102 1.140 24.732 7.955 1.00 8.41 N ATOM 765 CA ALA A 102 1.590 24.127 6.682 1.00 7.99 C ATOM 766 C ALA A 102 1.572 22.624 6.787 1.00 9.44 C ATOM 767 O ALA A 102 1.079 21.944 5.825 1.00 9.97 O ATOM 768 CB ALA A 102 2.920 24.738 6.259 1.00 8.04 C ATOM 769 N LEU A 103 2.103 22.036 7.864 1.00 8.91 N ATOM 770 CA LEU A 103 2.117 20.544 7.951 1.00 8.96 C ATOM 771 C LEU A 103 0.694 19.993 7.901 1.00 9.18 C ATOM 772 O LEU A 103 0.484 18.955 7.230 1.00 9.76 O ATOM 773 CB LEU A 103 2.879 20.111 9.203 1.00 8.63 C ATOM 774 CG LEU A 103 4.404 20.222 9.209 1.00 10.31 C ATOM 775 CD1 LEU A 103 4.893 20.263 10.670 1.00 9.21 C ATOM 776 CD2 LEU A 103 5.083 19.027 8.531 1.00 9.38 C ATOM 777 N VAL A 104 -0.207 20.599 8.642 1.00 9.39 N ATOM 778 CA VAL A 104 -1.610 20.110 8.726 1.00 8.77 C ATOM 779 C VAL A 104 -2.305 20.268 7.367 1.00 9.75 C ATOM 780 O VAL A 104 -3.043 19.336 6.949 1.00 8.99 O ATOM 781 CB VAL A 104 -2.342 20.846 9.864 1.00 11.07 C ATOM 782 CG1 VAL A 104 -3.866 20.578 9.903 1.00 12.15 C ATOM 783 CG2 VAL A 104 -1.761 20.498 11.219 1.00 10.51 C ATOM 784 N ARG A 105 -2.082 21.425 6.766 1.00 9.66 N ATOM 785 CA ARG A 105 -2.699 21.708 5.451 1.00 9.24 C ATOM 786 C ARG A 105 -2.304 20.671 4.422 1.00 11.01 C ATOM 787 O ARG A 105 -3.180 20.338 3.543 1.00 11.41 O ATOM 788 CB ARG A 105 -2.466 23.143 4.955 1.00 7.89 C ATOM 789 CG ARG A 105 -3.180 23.419 3.577 1.00 9.17 C ATOM 790 CD ARG A 105 -4.688 23.295 3.802 1.00 11.79 C ATOM 791 NE ARG A 105 -5.388 23.651 2.523 1.00 13.72 N ATOM 792 CZ ARG A 105 -5.614 22.732 1.600 1.00 13.76 C ATOM 793 NH1 ARG A 105 -5.275 21.444 1.745 1.00 9.82 N ATOM 794 NH2 ARG A 105 -6.225 23.044 0.449 1.00 16.07 N ATOM 795 N GLN A 106 -1.104 20.121 4.483 1.00 9.53 N ATOM 796 CA GLN A 106 -0.604 19.116 3.560 1.00 11.31 C ATOM 797 C GLN A 106 -0.848 17.667 3.919 1.00 11.61 C ATOM 798 O GLN A 106 -0.331 16.759 3.208 1.00 12.77 O ATOM 799 CB GLN A 106 0.942 19.184 3.362 1.00 13.89 C ATOM 800 CG GLN A 106 1.455 20.369 2.687 1.00 20.17 C ATOM 801 CD GLN A 106 1.199 20.359 1.191 1.00 24.14 C ATOM 802 OE1 GLN A 106 1.275 19.353 0.521 1.00 26.21 O ATOM 803 NE2 GLN A 106 0.853 21.575 0.801 1.00 24.43 N ATOM 804 N GLY A 107 -1.556 17.414 4.989 1.00 11.76 N ATOM 805 CA GLY A 107 -1.842 16.031 5.399 1.00 11.64 C ATOM 806 C GLY A 107 -0.607 15.379 5.963 1.00 12.38 C ATOM 807 O GLY A 107 -0.576 14.149 5.819 1.00 13.97 O ATOM 808 N LEU A 108 0.327 16.123 6.543 1.00 11.57 N ATOM 809 CA LEU A 108 1.527 15.517 7.131 1.00 11.63 C ATOM 810 C LEU A 108 1.502 15.644 8.654 1.00 12.58 C ATOM 811 O LEU A 108 2.546 15.432 9.270 1.00 12.60 O ATOM 812 CB LEU A 108 2.810 16.122 6.542 1.00 10.32 C ATOM 813 CG LEU A 108 3.001 15.852 5.040 1.00 12.22 C ATOM 814 CD1 LEU A 108 4.079 16.799 4.506 1.00 15.76 C ATOM 815 CD2 LEU A 108 3.422 14.401 4.846 1.00 13.76 C ATOM 816 N ALA A 109 0.349 15.978 9.193 1.00 12.61 N ATOM 817 CA ALA A 109 0.168 16.097 10.642 1.00 12.55 C ATOM 818 C ALA A 109 -1.309 16.145 10.979 1.00 12.76 C ATOM 819 O ALA A 109 -2.122 16.563 10.140 1.00 12.02 O ATOM 820 CB ALA A 109 0.868 17.395 11.136 1.00 9.51 C ATOM 821 N LYS A 110 -1.656 15.711 12.186 1.00 13.05 N ATOM 822 CA LYS A 110 -3.053 15.804 12.699 1.00 13.54 C ATOM 823 C LYS A 110 -3.031 16.836 13.834 1.00 12.95 C ATOM 824 O LYS A 110 -1.939 17.008 14.418 1.00 13.87 O ATOM 825 CB LYS A 110 -3.530 14.522 13.371 1.00 21.39 C ATOM 826 CG LYS A 110 -3.302 13.247 12.612 1.00 35.69 C ATOM 827 CD LYS A 110 -3.930 12.030 13.317 1.00 48.25 C ATOM 828 CE LYS A 110 -4.828 11.262 12.355 1.00 55.87 C ATOM 829 NZ LYS A 110 -4.617 9.786 12.380 1.00 60.40 N ATOM 830 N VAL A 111 -4.132 17.454 14.109 1.00 12.61 N ATOM 831 CA VAL A 111 -4.266 18.429 15.205 1.00 14.10 C ATOM 832 C VAL A 111 -4.183 17.549 16.471 1.00 16.30 C ATOM 833 O VAL A 111 -4.861 16.496 16.482 1.00 16.96 O ATOM 834 CB VAL A 111 -5.526 19.267 15.123 1.00 15.34 C ATOM 835 CG1 VAL A 111 -5.725 20.222 16.309 1.00 13.95 C ATOM 836 CG2 VAL A 111 -5.517 20.145 13.869 1.00 14.41 C ATOM 837 N ALA A 112 -3.339 17.903 17.390 1.00 15.99 N ATOM 838 CA ALA A 112 -3.128 17.122 18.622 1.00 17.27 C ATOM 839 C ALA A 112 -4.241 17.321 19.637 1.00 18.00 C ATOM 840 O ALA A 112 -5.112 18.191 19.479 1.00 17.90 O ATOM 841 CB ALA A 112 -1.839 17.722 19.267 1.00 15.24 C ATOM 842 N TYR A 113 -4.118 16.545 20.705 1.00 18.86 N ATOM 843 CA TYR A 113 -5.050 16.675 21.850 1.00 20.94 C ATOM 844 C TYR A 113 -4.695 18.047 22.420 1.00 22.08 C ATOM 845 O TYR A 113 -3.493 18.316 22.657 1.00 22.31 O ATOM 846 CB TYR A 113 -4.747 15.504 22.816 1.00 26.42 C ATOM 847 CG TYR A 113 -5.808 15.535 23.899 1.00 35.07 C ATOM 848 CD1 TYR A 113 -7.051 14.973 23.634 1.00 41.02 C ATOM 849 CD2 TYR A 113 -5.620 16.194 25.106 1.00 38.99 C ATOM 850 CE1 TYR A 113 -8.086 15.025 24.571 1.00 44.20 C ATOM 851 CE2 TYR A 113 -6.630 16.260 26.061 1.00 41.01 C ATOM 852 CZ TYR A 113 -7.864 15.671 25.779 1.00 43.18 C ATOM 853 OH TYR A 113 -8.918 15.690 26.658 1.00 51.46 O ATOM 854 N VAL A 114 -5.651 18.924 22.578 1.00 22.85 N ATOM 855 CA VAL A 114 -5.420 20.294 23.038 1.00 24.94 C ATOM 856 C VAL A 114 -5.518 20.485 24.551 1.00 26.78 C ATOM 857 O VAL A 114 -6.410 19.932 25.215 1.00 27.77 O ATOM 858 CB VAL A 114 -6.384 21.214 22.254 1.00 25.37 C ATOM 859 CG1 VAL A 114 -6.183 22.684 22.612 1.00 27.68 C ATOM 860 CG2 VAL A 114 -6.255 20.974 20.766 1.00 24.63 C ATOM 861 N TYR A 115 -4.611 21.323 25.055 1.00 26.90 N ATOM 862 CA TYR A 115 -4.565 21.646 26.498 1.00 26.88 C ATOM 863 C TYR A 115 -4.707 23.142 26.644 1.00 26.54 C ATOM 864 O TYR A 115 -3.742 23.882 26.385 1.00 26.12 O ATOM 865 CB TYR A 115 -3.232 21.134 27.078 1.00 33.19 C ATOM 866 CG TYR A 115 -3.089 19.628 27.041 1.00 39.28 C ATOM 867 CD1 TYR A 115 -3.584 18.846 28.090 1.00 43.51 C ATOM 868 CD2 TYR A 115 -2.480 18.974 25.965 1.00 43.51 C ATOM 869 CE1 TYR A 115 -3.479 17.455 28.071 1.00 52.64 C ATOM 870 CE2 TYR A 115 -2.355 17.587 25.928 1.00 51.86 C ATOM 871 CZ TYR A 115 -2.852 16.825 26.993 1.00 55.93 C ATOM 872 OH TYR A 115 -2.767 15.453 27.008 1.00 57.87 O ATOM 873 N LYS A 116 -5.891 23.577 27.038 1.00 26.26 N ATOM 874 CA LYS A 116 -6.138 25.030 27.238 1.00 26.35 C ATOM 875 C LYS A 116 -5.167 25.491 28.340 1.00 25.53 C ATOM 876 O LYS A 116 -4.810 24.639 29.197 1.00 27.41 O ATOM 877 CB LYS A 116 -7.585 25.277 27.643 1.00 31.53 C ATOM 878 CG LYS A 116 -8.642 25.029 26.581 1.00 40.06 C ATOM 879 CD LYS A 116 -9.940 25.772 26.895 1.00 50.80 C ATOM 880 CE LYS A 116 -11.047 25.576 25.881 1.00 55.13 C ATOM 881 NZ LYS A 116 -12.191 24.800 26.438 1.00 58.13 N ATOM 882 N PRO A 117 -4.709 26.719 28.361 1.00 23.24 N ATOM 883 CA PRO A 117 -5.030 27.774 27.423 1.00 22.45 C ATOM 884 C PRO A 117 -4.114 27.843 26.209 1.00 20.56 C ATOM 885 O PRO A 117 -4.131 28.920 25.552 1.00 20.22 O ATOM 886 CB PRO A 117 -4.850 29.051 28.284 1.00 22.78 C ATOM 887 CG PRO A 117 -3.673 28.683 29.168 1.00 23.27 C ATOM 888 CD PRO A 117 -3.805 27.183 29.425 1.00 23.61 C ATOM 889 N ASN A 118 -3.358 26.785 25.962 1.00 18.62 N ATOM 890 CA ASN A 118 -2.452 26.785 24.757 1.00 17.49 C ATOM 891 C ASN A 118 -3.289 26.270 23.564 1.00 16.52 C ATOM 892 O ASN A 118 -3.024 25.160 23.046 1.00 15.68 O ATOM 893 CB ASN A 118 -1.189 25.941 24.955 1.00 17.78 C ATOM 894 CG ASN A 118 -0.078 26.607 25.733 1.00 11.74 C ATOM 895 OD1 ASN A 118 -0.096 27.809 25.968 1.00 13.86 O ATOM 896 ND2 ASN A 118 0.901 25.819 26.189 1.00 13.94 N ATOM 897 N ASN A 119 -4.247 27.113 23.201 1.00 15.04 N ATOM 898 CA ASN A 119 -5.172 26.692 22.114 1.00 15.43 C ATOM 899 C ASN A 119 -5.568 27.817 21.190 1.00 15.06 C ATOM 900 O ASN A 119 -6.611 27.711 20.500 1.00 15.10 O ATOM 901 CB ASN A 119 -6.371 26.074 22.867 1.00 25.72 C ATOM 902 CG ASN A 119 -7.297 27.129 23.453 1.00 30.14 C ATOM 903 OD1 ASN A 119 -8.526 26.969 23.329 1.00 43.49 O ATOM 904 ND2 ASN A 119 -6.823 28.224 24.008 1.00 28.44 N ATOM 905 N THR A 120 -4.789 28.877 21.225 1.00 15.06 N ATOM 906 CA THR A 120 -5.137 30.044 20.400 1.00 15.82 C ATOM 907 C THR A 120 -5.427 29.750 18.964 1.00 16.66 C ATOM 908 O THR A 120 -6.427 30.324 18.462 1.00 17.11 O ATOM 909 CB THR A 120 -4.074 31.182 20.611 1.00 17.54 C ATOM 910 OG1 THR A 120 -4.216 31.511 22.036 1.00 20.34 O ATOM 911 CG2 THR A 120 -4.291 32.427 19.758 1.00 20.33 C ATOM 912 N HIS A 121 -4.603 28.998 18.246 1.00 15.98 N ATOM 913 CA HIS A 121 -4.863 28.769 16.792 1.00 15.40 C ATOM 914 C HIS A 121 -5.562 27.452 16.515 1.00 15.29 C ATOM 915 O HIS A 121 -5.475 26.892 15.379 1.00 15.29 O ATOM 916 CB HIS A 121 -3.501 28.794 15.998 1.00 12.60 C ATOM 917 CG HIS A 121 -2.841 30.126 16.145 1.00 12.61 C ATOM 918 ND1 HIS A 121 -3.489 31.301 15.902 1.00 17.36 N ATOM 919 CD2 HIS A 121 -1.569 30.476 16.432 1.00 14.74 C ATOM 920 CE1 HIS A 121 -2.700 32.323 16.095 1.00 14.07 C ATOM 921 NE2 HIS A 121 -1.513 31.851 16.425 1.00 17.79 N ATOM 922 N GLU A 122 -6.223 26.902 17.524 1.00 14.71 N ATOM 923 CA GLU A 122 -6.914 25.621 17.372 1.00 15.81 C ATOM 924 C GLU A 122 -7.911 25.602 16.217 1.00 16.32 C ATOM 925 O GLU A 122 -7.887 24.657 15.409 1.00 16.46 O ATOM 926 CB GLU A 122 -7.710 25.182 18.608 1.00 17.90 C ATOM 927 CG GLU A 122 -8.454 23.847 18.479 1.00 23.55 C ATOM 928 CD GLU A 122 -9.161 23.333 19.690 1.00 28.71 C ATOM 929 OE1 GLU A 122 -9.268 24.141 20.635 1.00 27.20 O ATOM 930 OE2 GLU A 122 -9.605 22.201 19.759 1.00 30.49 O ATOM 931 N GLN A 123 -8.771 26.616 16.166 1.00 16.78 N ATOM 932 CA GLN A 123 -9.829 26.630 15.129 1.00 16.90 C ATOM 933 C GLN A 123 -9.233 26.707 13.735 1.00 16.35 C ATOM 934 O GLN A 123 -9.679 25.953 12.869 1.00 17.18 O ATOM 935 CB GLN A 123 -10.911 27.661 15.378 1.00 28.22 C ATOM 936 CG GLN A 123 -11.817 27.309 16.556 1.00 41.29 C ATOM 937 CD GLN A 123 -12.538 25.983 16.365 1.00 52.81 C ATOM 938 OE1 GLN A 123 -12.568 25.153 17.283 1.00 58.28 O ATOM 939 NE2 GLN A 123 -13.070 25.785 15.145 1.00 58.06 N ATOM 940 N HIS A 124 -8.261 27.546 13.607 1.00 15.70 N ATOM 941 CA HIS A 124 -7.538 27.745 12.354 1.00 15.64 C ATOM 942 C HIS A 124 -6.940 26.420 11.891 1.00 15.63 C ATOM 943 O HIS A 124 -7.052 26.017 10.701 1.00 14.75 O ATOM 944 CB HIS A 124 -6.460 28.819 12.547 1.00 24.90 C ATOM 945 CG HIS A 124 -5.650 29.120 11.323 1.00 31.78 C ATOM 946 ND1 HIS A 124 -6.144 29.551 10.126 1.00 33.24 N ATOM 947 CD2 HIS A 124 -4.288 29.067 11.177 1.00 35.09 C ATOM 948 CE1 HIS A 124 -5.139 29.742 9.290 1.00 34.34 C ATOM 949 NE2 HIS A 124 -4.002 29.474 9.898 1.00 34.68 N ATOM 950 N LEU A 125 -6.271 25.744 12.841 1.00 14.41 N ATOM 951 CA LEU A 125 -5.662 24.447 12.460 1.00 14.56 C ATOM 952 C LEU A 125 -6.667 23.351 12.108 1.00 14.11 C ATOM 953 O LEU A 125 -6.488 22.475 11.232 1.00 12.71 O ATOM 954 CB LEU A 125 -4.670 24.063 13.571 1.00 17.33 C ATOM 955 CG LEU A 125 -3.429 24.910 13.767 1.00 19.99 C ATOM 956 CD1 LEU A 125 -2.642 24.245 14.913 1.00 20.25 C ATOM 957 CD2 LEU A 125 -2.551 24.848 12.529 1.00 19.68 C ATOM 958 N ARG A 126 -7.748 23.377 12.882 1.00 14.30 N ATOM 959 CA ARG A 126 -8.823 22.368 12.665 1.00 15.15 C ATOM 960 C ARG A 126 -9.405 22.576 11.268 1.00 14.64 C ATOM 961 O ARG A 126 -9.705 21.538 10.594 1.00 15.29 O ATOM 962 CB ARG A 126 -9.873 22.425 13.796 1.00 16.25 C ATOM 963 CG ARG A 126 -9.458 21.480 14.918 1.00 21.78 C ATOM 964 CD ARG A 126 -10.489 21.377 15.999 1.00 26.73 C ATOM 965 NE ARG A 126 -9.918 20.866 17.248 1.00 28.10 N ATOM 966 CZ ARG A 126 -9.406 19.648 17.431 1.00 24.97 C ATOM 967 NH1 ARG A 126 -9.348 18.702 16.495 1.00 23.79 N ATOM 968 NH2 ARG A 126 -8.913 19.348 18.639 1.00 29.53 N ATOM 969 N LYS A 127 -9.562 23.811 10.847 1.00 13.72 N ATOM 970 CA LYS A 127 -10.128 24.066 9.483 1.00 14.74 C ATOM 971 C LYS A 127 -9.204 23.534 8.406 1.00 14.71 C ATOM 972 O LYS A 127 -9.652 22.935 7.405 1.00 14.85 O ATOM 973 CB LYS A 127 -10.404 25.563 9.301 1.00 25.61 C ATOM 974 CG LYS A 127 -11.524 25.968 10.306 1.00 36.43 C ATOM 975 CD LYS A 127 -11.779 27.464 10.379 1.00 42.15 C ATOM 976 CE LYS A 127 -13.017 27.786 11.217 1.00 45.07 C ATOM 977 NZ LYS A 127 -13.420 29.208 11.020 1.00 47.65 N ATOM 978 N SER A 128 -7.888 23.753 8.652 1.00 13.36 N ATOM 979 CA SER A 128 -6.907 23.230 7.692 1.00 12.18 C ATOM 980 C SER A 128 -6.931 21.724 7.661 1.00 11.08 C ATOM 981 O SER A 128 -6.752 21.171 6.564 1.00 10.74 O ATOM 982 CB SER A 128 -5.519 23.745 7.995 1.00 18.92 C ATOM 983 OG SER A 128 -5.440 25.114 7.660 1.00 17.06 O ATOM 984 N GLU A 129 -7.086 21.049 8.784 1.00 11.48 N ATOM 985 CA GLU A 129 -7.085 19.570 8.800 1.00 11.94 C ATOM 986 C GLU A 129 -8.275 18.992 8.024 1.00 12.70 C ATOM 987 O GLU A 129 -8.148 17.982 7.336 1.00 12.89 O ATOM 988 CB GLU A 129 -7.107 19.055 10.245 1.00 13.57 C ATOM 989 CG GLU A 129 -6.988 17.509 10.358 1.00 14.26 C ATOM 990 CD GLU A 129 -7.127 17.050 11.779 1.00 18.89 C ATOM 991 OE1 GLU A 129 -8.295 17.124 12.237 1.00 24.89 O ATOM 992 OE2 GLU A 129 -6.245 16.620 12.467 1.00 18.29 O ATOM 993 N ALA A 130 -9.407 19.687 8.186 1.00 12.81 N ATOM 994 CA ALA A 130 -10.657 19.241 7.535 1.00 14.22 C ATOM 995 C ALA A 130 -10.491 19.303 6.013 1.00 14.83 C ATOM 996 O ALA A 130 -10.939 18.409 5.306 1.00 14.95 O ATOM 997 CB ALA A 130 -11.848 20.080 7.980 1.00 12.43 C ATOM 998 N GLN A 131 -9.874 20.386 5.595 1.00 14.68 N ATOM 999 CA GLN A 131 -9.567 20.607 4.156 1.00 14.50 C ATOM 1000 C GLN A 131 -8.614 19.535 3.666 1.00 14.79 C ATOM 1001 O GLN A 131 -8.877 18.951 2.596 1.00 15.79 O ATOM 1002 CB GLN A 131 -9.075 22.021 3.889 1.00 14.48 C ATOM 1003 CG GLN A 131 -9.112 22.341 2.406 1.00 26.14 C ATOM 1004 CD GLN A 131 -10.452 22.292 1.719 1.00 24.25 C ATOM 1005 OE1 GLN A 131 -10.620 21.785 0.593 1.00 25.73 O ATOM 1006 NE2 GLN A 131 -11.455 22.857 2.370 1.00 24.80 N ATOM 1007 N ALA A 132 -7.577 19.197 4.450 1.00 14.73 N ATOM 1008 CA ALA A 132 -6.659 18.122 4.053 1.00 15.49 C ATOM 1009 C ALA A 132 -7.349 16.753 3.990 1.00 16.67 C ATOM 1010 O ALA A 132 -7.062 15.903 3.101 1.00 16.34 O ATOM 1011 CB ALA A 132 -5.401 18.095 4.917 1.00 14.80 C ATOM 1012 N LYS A 133 -8.266 16.510 4.916 1.00 17.53 N ATOM 1013 CA LYS A 133 -8.989 15.212 4.937 1.00 18.34 C ATOM 1014 C LYS A 133 -9.828 15.111 3.650 1.00 18.57 C ATOM 1015 O LYS A 133 -9.797 14.098 2.970 1.00 20.12 O ATOM 1016 CB LYS A 133 -9.913 15.058 6.110 1.00 22.70 C ATOM 1017 CG LYS A 133 -9.351 15.028 7.524 1.00 34.22 C ATOM 1018 CD LYS A 133 -10.491 14.493 8.418 1.00 38.83 C ATOM 1019 CE LYS A 133 -10.028 14.207 9.819 1.00 45.96 C ATOM 1020 NZ LYS A 133 -9.828 15.470 10.566 1.00 55.82 N ATOM 1021 N LYS A 134 -10.520 16.184 3.381 1.00 19.41 N ATOM 1022 CA LYS A 134 -11.414 16.320 2.217 1.00 20.08 C ATOM 1023 C LYS A 134 -10.615 16.144 0.960 1.00 20.48 C ATOM 1024 O LYS A 134 -11.168 15.495 0.032 1.00 22.48 O ATOM 1025 CB LYS A 134 -12.225 17.598 2.315 1.00 26.46 C ATOM 1026 CG LYS A 134 -13.203 17.887 1.204 1.00 39.88 C ATOM 1027 CD LYS A 134 -14.209 18.993 1.446 1.00 49.36 C ATOM 1028 CE LYS A 134 -13.584 20.369 1.492 1.00 59.50 C ATOM 1029 NZ LYS A 134 -14.507 21.488 1.156 1.00 61.91 N ATOM 1030 N GLU A 135 -9.376 16.573 0.873 1.00 19.30 N ATOM 1031 CA GLU A 135 -8.559 16.400 -0.322 1.00 18.43 C ATOM 1032 C GLU A 135 -7.823 15.087 -0.330 1.00 18.32 C ATOM 1033 O GLU A 135 -7.091 14.795 -1.300 1.00 18.44 O ATOM 1034 CB GLU A 135 -7.589 17.593 -0.486 1.00 16.62 C ATOM 1035 CG GLU A 135 -8.295 18.950 -0.588 1.00 15.00 C ATOM 1036 CD GLU A 135 -7.537 20.215 -0.701 1.00 14.09 C ATOM 1037 OE1 GLU A 135 -6.292 20.078 -0.694 1.00 15.56 O ATOM 1038 OE2 GLU A 135 -8.039 21.347 -0.808 1.00 16.62 O ATOM 1039 N LYS A 136 -7.953 14.291 0.716 1.00 17.94 N ATOM 1040 CA LYS A 136 -7.290 12.986 0.846 1.00 18.35 C ATOM 1041 C LYS A 136 -5.799 13.012 0.644 1.00 18.14 C ATOM 1042 O LYS A 136 -5.204 12.167 -0.060 1.00 17.99 O ATOM 1043 CB LYS A 136 -7.947 12.025 -0.177 1.00 30.63 C ATOM 1044 CG LYS A 136 -9.440 11.875 0.127 1.00 39.00 C ATOM 1045 CD LYS A 136 -9.974 10.493 -0.193 1.00 48.89 C ATOM 1046 CE LYS A 136 -11.460 10.400 0.122 1.00 57.68 C ATOM 1047 NZ LYS A 136 -12.193 9.804 -1.044 1.00 64.54 N ATOM 1048 N LEU A 137 -5.139 13.976 1.293 1.00 17.19 N ATOM 1049 CA LEU A 137 -3.705 14.181 1.173 1.00 17.71 C ATOM 1050 C LEU A 137 -2.883 13.358 2.160 1.00 18.92 C ATOM 1051 O LEU A 137 -3.225 13.322 3.357 1.00 18.72 O ATOM 1052 CB LEU A 137 -3.431 15.695 1.428 1.00 19.64 C ATOM 1053 CG LEU A 137 -3.792 16.744 0.413 1.00 19.43 C ATOM 1054 CD1 LEU A 137 -3.311 18.126 0.883 1.00 14.23 C ATOM 1055 CD2 LEU A 137 -3.068 16.424 -0.905 1.00 20.19 C ATOM 1056 N ASN A 138 -1.814 12.773 1.667 1.00 19.37 N ATOM 1057 CA ASN A 138 -0.838 12.021 2.470 1.00 20.89 C ATOM 1058 C ASN A 138 -1.426 11.098 3.490 1.00 21.82 C ATOM 1059 O ASN A 138 -1.938 10.017 3.159 1.00 23.19 O ATOM 1060 CB ASN A 138 0.129 13.104 3.068 1.00 19.74 C ATOM 1061 CG ASN A 138 0.944 13.676 1.904 1.00 21.95 C ATOM 1062 OD1 ASN A 138 1.511 12.870 1.138 1.00 23.43 O ATOM 1063 ND2 ASN A 138 0.957 14.987 1.734 1.00 16.24 N ATOM 1064 N ILE A 139 -1.376 11.480 4.745 1.00 21.85 N ATOM 1065 CA ILE A 139 -1.930 10.685 5.852 1.00 23.44 C ATOM 1066 C ILE A 139 -3.370 10.299 5.580 1.00 24.66 C ATOM 1067 O ILE A 139 -3.791 9.187 6.017 1.00 25.44 O ATOM 1068 CB ILE A 139 -1.697 11.590 7.125 1.00 23.51 C ATOM 1069 CG1 ILE A 139 -0.259 11.196 7.620 1.00 22.02 C ATOM 1070 CG2 ILE A 139 -2.790 11.629 8.131 1.00 26.16 C ATOM 1071 CD1 ILE A 139 0.201 12.177 8.740 1.00 36.09 C ATOM 1072 N TRP A 140 -4.125 11.143 4.910 1.00 24.57 N ATOM 1073 CA TRP A 140 -5.530 10.881 4.628 1.00 25.00 C ATOM 1074 C TRP A 140 -5.774 10.183 3.300 1.00 25.64 C ATOM 1075 O TRP A 140 -6.973 10.114 2.964 1.00 26.79 O ATOM 1076 CB TRP A 140 -6.325 12.190 4.694 1.00 16.54 C ATOM 1077 CG TRP A 140 -6.088 13.000 5.893 1.00 19.12 C ATOM 1078 CD1 TRP A 140 -5.426 14.207 5.929 1.00 18.78 C ATOM 1079 CD2 TRP A 140 -6.467 12.735 7.242 1.00 20.64 C ATOM 1080 NE1 TRP A 140 -5.404 14.709 7.213 1.00 18.40 N ATOM 1081 CE2 TRP A 140 -6.038 13.821 8.034 1.00 20.25 C ATOM 1082 CE3 TRP A 140 -7.141 11.688 7.854 1.00 22.42 C ATOM 1083 CZ2 TRP A 140 -6.268 13.892 9.402 1.00 25.67 C ATOM 1084 CZ3 TRP A 140 -7.352 11.755 9.216 1.00 22.70 C ATOM 1085 CH2 TRP A 140 -6.921 12.827 9.993 1.00 25.14 C ATOM 1086 N SER A 141 -4.812 9.683 2.584 1.00 26.78 N ATOM 1087 CA SER A 141 -5.036 9.040 1.291 1.00 28.07 C ATOM 1088 C SER A 141 -5.415 7.563 1.371 1.00 29.71 C ATOM 1089 O SER A 141 -5.210 6.905 2.413 1.00 30.96 O ATOM 1090 CB SER A 141 -3.876 9.252 0.346 1.00 33.25 C ATOM 1091 OG SER A 141 -2.675 8.651 0.784 1.00 40.87 O TER 1092 SER A 141 HETATM 1093 O HOH A 200 3.466 28.516 24.513 1.00 12.64 O HETATM 1094 O HOH A 201 16.005 33.812 11.256 1.00 15.29 O HETATM 1095 O HOH A 202 -3.932 16.976 8.288 1.00 15.73 O HETATM 1096 O HOH A 203 7.647 14.751 19.960 1.00 33.85 O HETATM 1097 O HOH A 204 17.715 31.004 10.472 1.00 19.83 O HETATM 1098 O HOH A 205 10.670 37.184 4.878 1.00 19.10 O HETATM 1099 O HOH A 206 8.705 13.418 11.228 1.00 20.96 O HETATM 1100 O HOH A 207 15.500 23.002 24.940 1.00 25.99 O HETATM 1101 O HOH A 208 6.094 34.953 21.577 1.00 17.41 O HETATM 1102 O HOH A 209 3.128 35.523 22.556 1.00 30.52 O HETATM 1103 O HOH A 210 1.855 17.107 -0.374 1.00 33.94 O HETATM 1104 O HOH A 211 4.618 14.238 16.646 1.00 18.21 O HETATM 1105 O HOH A 212 10.182 30.820 2.757 1.00 43.23 O HETATM 1106 O HOH A 213 18.627 21.297 9.800 1.00 25.33 O HETATM 1107 O HOH A 214 5.420 15.135 22.107 1.00 27.43 O HETATM 1108 O HOH A 215 -8.877 28.425 18.570 1.00 38.59 O HETATM 1109 O HOH A 216 1.036 20.340 21.595 1.00 29.37 O HETATM 1110 O HOH A 217 -1.642 20.630 22.088 1.00 33.03 O HETATM 1111 O HOH A 218 7.698 29.637 4.279 1.00 29.18 O HETATM 1112 O HOH A 219 8.636 15.995 1.922 1.00 33.87 O HETATM 1113 O HOH A 220 1.013 23.615 3.342 1.00 30.14 O HETATM 1114 O HOH A 221 -2.195 22.590 23.815 1.00 20.46 O HETATM 1115 O HOH A 222 17.524 33.330 8.050 1.00 45.40 O HETATM 1116 O HOH A 223 4.806 18.197 28.863 1.00 47.07 O HETATM 1117 O HOH A 224 1.034 28.211 6.802 1.00 25.22 O HETATM 1118 O HOH A 225 0.502 22.638 25.811 1.00 37.87 O HETATM 1119 O HOH A 226 10.089 39.401 14.517 1.00 44.28 O HETATM 1120 O HOH A 227 2.298 21.962 33.728 1.00 45.49 O HETATM 1121 O HOH A 228 -11.139 18.587 11.057 1.00 53.76 O HETATM 1122 O HOH A 229 13.486 12.579 5.879 1.00 48.89 O HETATM 1123 O HOH A 230 -7.039 15.459 14.776 1.00 37.68 O HETATM 1124 O HOH A 231 4.874 18.036 24.419 1.00 49.63 O HETATM 1125 O HOH A 232 20.539 23.190 9.737 1.00 58.05 O HETATM 1126 O HOH A 233 8.624 34.631 9.870 1.00 16.49 O HETATM 1127 O HOH A 234 10.589 28.393 3.737 1.00 28.85 O HETATM 1128 O HOH A 235 -5.966 31.808 15.325 1.00 38.53 O HETATM 1129 O HOH A 236 -1.371 16.606 22.960 1.00 39.84 O HETATM 1130 O HOH A 237 6.917 7.076 4.505 1.00 30.44 O HETATM 1131 O HOH A 238 14.400 24.433 28.619 1.00 40.17 O HETATM 1132 O HOH A 239 0.483 31.215 8.203 1.00 34.76 O HETATM 1133 O HOH A 240 -7.863 29.535 15.843 1.00 34.63 O HETATM 1134 O HOH A 241 1.485 37.695 16.620 1.00 35.34 O HETATM 1135 O HOH A 242 1.604 7.530 10.184 1.00 59.14 O HETATM 1136 O HOH A 243 -1.479 12.107 -1.143 1.00 37.03 O HETATM 1137 O HOH A 245 16.861 29.706 7.962 1.00 28.26 O HETATM 1138 O HOH A 246 13.293 18.069 10.242 1.00 33.40 O HETATM 1139 O HOH A 247 -2.205 14.444 20.899 1.00 42.59 O HETATM 1140 O HOH A 248 -7.514 25.746 0.442 1.00 41.90 O HETATM 1141 O HOH A 250 14.896 19.700 25.798 1.00 25.01 O HETATM 1142 O HOH A 251 19.267 34.723 19.567 1.00 44.73 O HETATM 1143 O HOH A 252 17.919 35.416 16.246 1.00 43.37 O HETATM 1144 O HOH A 253 14.720 13.670 10.950 1.00 43.00 O HETATM 1145 O HOH A 254 11.289 39.847 4.659 1.00 30.76 O HETATM 1146 O HOH A 255 22.414 19.116 17.454 1.00 50.86 O HETATM 1147 O HOH A 256 6.238 34.520 2.458 1.00 47.38 O HETATM 1148 O HOH A 257 -1.140 35.534 15.904 1.00 38.08 O HETATM 1149 O HOH A 258 -0.407 26.283 4.197 1.00 24.84 O HETATM 1150 O HOH A 259 -5.780 26.293 2.473 1.00 51.46 O HETATM 1151 O HOH A 260 -7.787 17.043 19.078 1.00 37.83 O HETATM 1152 O HOH A 261 -8.447 18.012 22.247 1.00 37.93 O HETATM 1153 O HOH A 262 -10.695 23.722 23.282 1.00 62.57 O HETATM 1154 O HOH A 263 -12.384 23.983 6.399 1.00 39.74 O HETATM 1155 O HOH A 264 -13.337 17.069 5.963 1.00 41.20 O HETATM 1156 O HOH A 266 -4.256 11.264 -2.315 1.00 53.81 O HETATM 1157 O HOH A 268 -1.614 38.141 18.816 1.00 51.26 O HETATM 1158 O HOH A 269 16.019 35.386 19.476 1.00 44.93 O HETATM 1159 O HOH A 270 -2.931 12.470 17.139 1.00 49.35 O HETATM 1160 O HOH A 271 -1.408 29.532 8.430 1.00 52.72 O HETATM 1161 O HOH A 272 -3.445 26.522 4.265 1.00 57.64 O HETATM 1162 O HOH A 273 -1.396 32.841 12.578 1.00 46.83 O HETATM 1163 O HOH A 274 4.593 40.576 16.319 1.00 50.34 O HETATM 1164 O HOH A 275 15.477 16.437 9.458 1.00 62.31 O HETATM 1165 O HOH A 277 -1.308 4.849 3.205 1.00 56.23 O HETATM 1166 O HOH A 278 19.453 19.739 3.600 1.00 62.46 O HETATM 1167 O HOH A 282 4.220 22.492 30.813 1.00 46.07 O HETATM 1168 O HOH A 288 -13.260 21.971 5.101 1.00 61.98 O HETATM 1169 O HOH A 290 -12.514 20.441 -2.060 1.00 55.28 O HETATM 1170 O HOH A 291 1.579 20.013 24.532 1.00 56.59 O HETATM 1171 O HOH A 293 -12.939 22.716 -0.645 1.00 54.13 O HETATM 1172 O HOH A 294 -1.246 31.951 10.046 1.00 60.26 O HETATM 1173 O HOH A 295 -0.008 11.458 12.550 1.00 40.46 O HETATM 1174 O HOH A 298 4.548 6.606 2.913 1.00 46.03 O HETATM 1175 O HOH A 300 4.737 13.224 20.531 1.00 56.76 O MASTER 267 1 0 3 6 10 0 6 1174 1 0 12 END