HEADER HYDROLASE(PHOSPHORIC DIESTER) 07-JAN-94 1SYE TITLE ENGINEERING ALTERNATIVE BETA-TURN TYPES IN STAPHYLOCOCCAL TITLE 2 NUCLEASE 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,A.HODEL,R.O.FOX REVDAT 2 24-FEB-09 1SYE 1 VERSN REVDAT 1 31-JUL-94 1SYE 0 JRNL AUTH T.R.HYNES,A.HODEL,R.O.FOX JRNL TITL ENGINEERING ALTERNATIVE BETA-TURN TYPES IN JRNL TITL 2 STAPHYLOCOCCAL NUCLEASE. JRNL REF BIOCHEMISTRY V. 33 5021 1994 JRNL REFN ISSN 0006-2960 JRNL PMID 8172877 JRNL DOI 10.1021/BI00183A004 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH T.R.HYNES,R.O.FOX REMARK 1 TITL THE CRYSTAL STRUCTURE OF STAPHYLOCOCCAL NUCLEASE REMARK 1 TITL 2 REFINED AT 1.7 ANGSTROMS RESOLUTION REMARK 1 REF PROTEINS V. 10 92 1991 REMARK 1 REFN ISSN 0887-3585 REMARK 1 REFERENCE 2 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. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PROLSQ REMARK 3 AUTHORS : KONNERT,HENDRICKSON REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : NULL 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) : 0.182 REMARK 3 R VALUE (WORKING SET) : NULL 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 : 55 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) : 0.015 ; 0.015 REMARK 3 ANGLE DISTANCE (A) : 0.036 ; 0.036 REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.036 ; 0.036 REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : 0.013 ; 0.013 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.174 ; 0.174 REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : 0.172 ; 0.172 REMARK 3 MULTIPLE TORSION (A) : 0.155 ; 0.155 REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL REMARK 3 H-BOND (X-H...Y) (A) : 0.164 ; 0.164 REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : 2.400 ; 2.400 REMARK 3 STAGGERED (DEGREES) : 20.100; 20.100 REMARK 3 TRANSVERSE (DEGREES) : NULL ; 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 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1SYE 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: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 44.49 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 ASP A 19 CB - CG - OD2 ANGL. DEV. = 5.9 DEGREES REMARK 500 ASP A 21 CB - CG - OD2 ANGL. DEV. = 6.7 DEGREES REMARK 500 ARG A 35 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 ASP A 40 CB - CG - OD1 ANGL. DEV. = 7.0 DEGREES REMARK 500 ARG A 81 NH1 - CZ - NH2 ANGL. DEV. = 7.1 DEGREES REMARK 500 ARG A 81 NE - CZ - NH2 ANGL. DEV. = -6.3 DEGREES REMARK 500 ASP A 83 CB - CG - OD1 ANGL. DEV. = 7.4 DEGREES REMARK 500 ASP A 83 CB - CG - OD2 ANGL. DEV. = -7.2 DEGREES REMARK 500 GLN A 106 CA - CB - CG ANGL. DEV. = 15.5 DEGREES REMARK 500 ARG A 126 NE - CZ - NH1 ANGL. DEV. = 4.9 DEGREES REMARK 500 ARG A 126 NE - CZ - NH2 ANGL. DEV. = -3.2 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 -65.12 -105.55 REMARK 500 LEU A 38 11.21 58.97 REMARK 500 TYR A 54 -3.97 90.91 REMARK 500 ALA A 112 -90.92 -89.41 REMARK 500 TYR A 113 92.45 84.11 REMARK 500 VAL A 114 33.12 -149.72 REMARK 500 TYR A 115 83.25 -160.17 REMARK 500 LYS A 116 -33.10 -39.75 REMARK 500 ASN A 138 -112.45 36.37 REMARK 500 REMARK 500 REMARK: NULL DBREF 1SYE A 1 149 UNP P00644 NUC_STAAU 83 231 SEQADV 1SYE THR A 117 UNP P00644 PRO 199 CONFLICT 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 THR 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 *55(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 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 -2.374 39.100 23.763 1.00 39.10 N ATOM 2 CA LYS A 6 -1.794 39.369 22.422 1.00 38.93 C ATOM 3 C LYS A 6 -0.417 38.684 22.364 1.00 37.11 C ATOM 4 O LYS A 6 0.426 38.962 23.211 1.00 36.58 O ATOM 5 CB LYS A 6 -1.610 40.849 22.120 1.00 53.76 C ATOM 6 CG LYS A 6 -2.901 41.678 22.194 1.00 67.66 C ATOM 7 CD LYS A 6 -2.651 43.183 22.179 1.00 74.33 C ATOM 8 CE LYS A 6 -3.938 43.993 22.172 1.00 77.51 C ATOM 9 NZ LYS A 6 -3.833 45.091 21.158 1.00 81.31 N ATOM 10 N LEU A 7 -0.318 37.805 21.389 1.00 35.72 N ATOM 11 CA LEU A 7 0.932 37.036 21.167 1.00 33.26 C ATOM 12 C LEU A 7 1.871 37.913 20.333 1.00 31.69 C ATOM 13 O LEU A 7 1.359 38.820 19.653 1.00 32.27 O ATOM 14 CB LEU A 7 0.495 35.767 20.444 1.00 27.57 C ATOM 15 CG LEU A 7 0.279 34.510 21.240 1.00 25.78 C ATOM 16 CD1 LEU A 7 -0.611 34.658 22.449 1.00 22.01 C ATOM 17 CD2 LEU A 7 -0.308 33.428 20.344 1.00 22.65 C ATOM 18 N HIS A 8 3.152 37.647 20.403 1.00 29.88 N ATOM 19 CA HIS A 8 4.133 38.404 19.600 1.00 27.78 C ATOM 20 C HIS A 8 5.274 37.500 19.125 1.00 24.63 C ATOM 21 O HIS A 8 5.763 36.653 19.855 1.00 24.15 O ATOM 22 CB HIS A 8 4.658 39.690 20.235 1.00 43.21 C ATOM 23 CG HIS A 8 5.331 39.525 21.551 1.00 53.59 C ATOM 24 ND1 HIS A 8 6.692 39.651 21.733 1.00 62.99 N ATOM 25 CD2 HIS A 8 4.798 39.275 22.770 1.00 59.75 C ATOM 26 CE1 HIS A 8 6.969 39.457 23.018 1.00 67.69 C ATOM 27 NE2 HIS A 8 5.835 39.218 23.665 1.00 67.16 N ATOM 28 N LYS A 9 5.662 37.730 17.882 1.00 21.90 N ATOM 29 CA LYS A 9 6.734 36.957 17.238 1.00 20.03 C ATOM 30 C LYS A 9 8.087 37.486 17.628 1.00 19.28 C ATOM 31 O LYS A 9 8.341 38.721 17.709 1.00 20.87 O ATOM 32 CB LYS A 9 6.557 37.009 15.721 1.00 18.76 C ATOM 33 CG LYS A 9 5.184 36.556 15.233 1.00 18.63 C ATOM 34 CD LYS A 9 4.946 36.769 13.747 1.00 22.35 C ATOM 35 CE LYS A 9 3.699 36.088 13.223 1.00 29.39 C ATOM 36 NZ LYS A 9 2.421 36.602 13.765 1.00 34.51 N ATOM 37 N GLU A 10 8.995 36.587 17.895 1.00 17.15 N ATOM 38 CA GLU A 10 10.397 36.939 18.236 1.00 14.56 C ATOM 39 C GLU A 10 11.282 36.235 17.235 1.00 13.63 C ATOM 40 O GLU A 10 10.901 35.120 16.822 1.00 13.23 O ATOM 41 CB GLU A 10 10.627 36.461 19.661 1.00 16.05 C ATOM 42 CG GLU A 10 9.752 37.141 20.761 1.00 23.97 C ATOM 43 CD GLU A 10 9.917 36.431 22.090 1.00 29.48 C ATOM 44 OE1 GLU A 10 11.055 36.598 22.573 1.00 28.79 O ATOM 45 OE2 GLU A 10 9.103 35.710 22.648 1.00 30.91 O ATOM 46 N PRO A 11 12.385 36.836 16.835 1.00 12.71 N ATOM 47 CA PRO A 11 13.323 36.243 15.894 1.00 12.16 C ATOM 48 C PRO A 11 14.053 35.061 16.520 1.00 10.30 C ATOM 49 O PRO A 11 14.169 34.868 17.738 1.00 10.05 O ATOM 50 CB PRO A 11 14.238 37.397 15.500 1.00 13.58 C ATOM 51 CG PRO A 11 14.233 38.311 16.687 1.00 14.68 C ATOM 52 CD PRO A 11 12.820 38.175 17.275 1.00 13.72 C ATOM 53 N ALA A 12 14.535 34.194 15.681 1.00 9.28 N ATOM 54 CA ALA A 12 15.288 32.991 16.027 1.00 9.65 C ATOM 55 C ALA A 12 16.119 32.635 14.779 1.00 9.44 C ATOM 56 O ALA A 12 15.866 33.165 13.679 1.00 11.21 O ATOM 57 CB ALA A 12 14.404 31.801 16.341 1.00 9.61 C ATOM 58 N THR A 13 17.073 31.816 15.006 1.00 9.41 N ATOM 59 CA THR A 13 17.963 31.399 13.895 1.00 8.99 C ATOM 60 C THR A 13 17.969 29.892 13.851 1.00 8.73 C ATOM 61 O THR A 13 18.113 29.260 14.910 1.00 9.86 O ATOM 62 CB THR A 13 19.410 31.976 14.113 1.00 12.94 C ATOM 63 OG1 THR A 13 19.238 33.388 14.369 1.00 15.03 O ATOM 64 CG2 THR A 13 20.249 31.715 12.864 1.00 15.19 C ATOM 65 N LEU A 14 17.766 29.361 12.674 1.00 9.55 N ATOM 66 CA LEU A 14 17.749 27.889 12.544 1.00 11.02 C ATOM 67 C LEU A 14 19.112 27.302 12.914 1.00 12.51 C ATOM 68 O LEU A 14 20.127 27.858 12.467 1.00 13.99 O ATOM 69 CB LEU A 14 17.398 27.521 11.108 1.00 10.15 C ATOM 70 CG LEU A 14 17.479 26.021 10.834 1.00 9.78 C ATOM 71 CD1 LEU A 14 16.364 25.243 11.516 1.00 17.87 C ATOM 72 CD2 LEU A 14 17.414 25.783 9.328 1.00 15.19 C ATOM 73 N ILE A 15 19.098 26.239 13.658 1.00 13.57 N ATOM 74 CA ILE A 15 20.318 25.499 13.972 1.00 14.84 C ATOM 75 C ILE A 15 20.111 24.267 13.049 1.00 16.90 C ATOM 76 O ILE A 15 20.862 24.137 12.075 1.00 18.32 O ATOM 77 CB ILE A 15 20.592 25.221 15.440 1.00 15.26 C ATOM 78 CG1 ILE A 15 20.898 26.475 16.295 1.00 16.29 C ATOM 79 CG2 ILE A 15 21.729 24.167 15.622 1.00 24.45 C ATOM 80 CD1 ILE A 15 20.924 26.068 17.819 1.00 20.42 C ATOM 81 N LYS A 16 19.102 23.481 13.321 1.00 16.79 N ATOM 82 CA LYS A 16 18.800 22.302 12.466 1.00 17.46 C ATOM 83 C LYS A 16 17.412 21.741 12.722 1.00 17.14 C ATOM 84 O LYS A 16 16.894 21.776 13.853 1.00 16.87 O ATOM 85 CB LYS A 16 19.850 21.231 12.612 1.00 21.26 C ATOM 86 CG LYS A 16 19.681 20.231 13.734 1.00 22.78 C ATOM 87 CD LYS A 16 20.805 19.195 13.730 1.00 34.89 C ATOM 88 CE LYS A 16 20.425 17.958 12.948 1.00 41.27 C ATOM 89 NZ LYS A 16 20.813 16.735 13.716 1.00 51.23 N ATOM 90 N ALA A 17 16.808 21.198 11.688 1.00 17.70 N ATOM 91 CA ALA A 17 15.476 20.577 11.721 1.00 16.58 C ATOM 92 C ALA A 17 15.685 19.160 12.217 1.00 17.69 C ATOM 93 O ALA A 17 16.635 18.514 11.726 1.00 19.53 O ATOM 94 CB ALA A 17 14.844 20.639 10.347 1.00 20.03 C ATOM 95 N ILE A 18 14.911 18.697 13.151 1.00 17.67 N ATOM 96 CA ILE A 18 15.101 17.373 13.738 1.00 18.51 C ATOM 97 C ILE A 18 14.070 16.364 13.276 1.00 19.38 C ATOM 98 O ILE A 18 14.423 15.211 13.023 1.00 21.55 O ATOM 99 CB ILE A 18 15.205 17.489 15.303 1.00 15.24 C ATOM 100 CG1 ILE A 18 16.539 18.154 15.705 1.00 18.91 C ATOM 101 CG2 ILE A 18 15.000 16.129 16.008 1.00 15.39 C ATOM 102 CD1 ILE A 18 16.464 19.008 16.997 1.00 27.15 C ATOM 103 N ASP A 19 12.838 16.748 13.222 1.00 17.87 N ATOM 104 CA ASP A 19 11.705 15.908 12.906 1.00 17.31 C ATOM 105 C ASP A 19 10.617 16.827 12.328 1.00 16.44 C ATOM 106 O ASP A 19 10.819 18.074 12.278 1.00 16.02 O ATOM 107 CB ASP A 19 11.264 15.254 14.250 1.00 14.97 C ATOM 108 CG ASP A 19 10.768 13.863 14.061 1.00 28.28 C ATOM 109 OD1 ASP A 19 10.689 13.397 12.880 1.00 34.39 O ATOM 110 OD2 ASP A 19 10.422 13.118 14.983 1.00 29.05 O ATOM 111 N GLY A 20 9.546 16.194 11.919 1.00 14.28 N ATOM 112 CA GLY A 20 8.416 16.984 11.374 1.00 13.59 C ATOM 113 C GLY A 20 7.965 17.999 12.442 1.00 12.59 C ATOM 114 O GLY A 20 7.674 19.109 12.032 1.00 12.63 O ATOM 115 N ASP A 21 7.937 17.643 13.719 1.00 11.42 N ATOM 116 CA ASP A 21 7.432 18.496 14.782 1.00 11.04 C ATOM 117 C ASP A 21 8.460 19.132 15.721 1.00 9.91 C ATOM 118 O ASP A 21 8.024 19.773 16.715 1.00 10.11 O ATOM 119 CB ASP A 21 6.410 17.645 15.610 1.00 16.34 C ATOM 120 CG ASP A 21 6.978 16.561 16.447 1.00 21.57 C ATOM 121 OD1 ASP A 21 8.201 16.257 16.393 1.00 25.63 O ATOM 122 OD2 ASP A 21 6.336 15.891 17.286 1.00 32.24 O ATOM 123 N THR A 22 9.729 18.969 15.429 1.00 8.39 N ATOM 124 CA THR A 22 10.786 19.456 16.328 1.00 9.33 C ATOM 125 C THR A 22 11.932 20.109 15.590 1.00 10.13 C ATOM 126 O THR A 22 12.437 19.461 14.645 1.00 11.06 O ATOM 127 CB THR A 22 11.334 18.239 17.178 1.00 13.34 C ATOM 128 OG1 THR A 22 10.199 17.685 17.920 1.00 18.45 O ATOM 129 CG2 THR A 22 12.376 18.657 18.230 1.00 12.30 C ATOM 130 N VAL A 23 12.348 21.292 15.993 1.00 9.19 N ATOM 131 CA VAL A 23 13.451 22.022 15.347 1.00 10.76 C ATOM 132 C VAL A 23 14.345 22.640 16.438 1.00 11.43 C ATOM 133 O VAL A 23 13.849 23.049 17.538 1.00 12.26 O ATOM 134 CB VAL A 23 12.920 23.040 14.312 1.00 15.11 C ATOM 135 CG1 VAL A 23 11.986 22.387 13.280 1.00 14.73 C ATOM 136 CG2 VAL A 23 12.090 24.146 14.936 1.00 19.13 C ATOM 137 N LYS A 24 15.615 22.689 16.163 1.00 10.45 N ATOM 138 CA LYS A 24 16.569 23.304 17.141 1.00 11.01 C ATOM 139 C LYS A 24 16.822 24.697 16.584 1.00 9.98 C ATOM 140 O LYS A 24 17.083 24.826 15.354 1.00 10.07 O ATOM 141 CB LYS A 24 17.760 22.414 17.288 1.00 16.74 C ATOM 142 CG LYS A 24 18.605 22.588 18.535 1.00 30.09 C ATOM 143 CD LYS A 24 19.442 21.316 18.808 1.00 37.44 C ATOM 144 CE LYS A 24 20.541 21.598 19.821 1.00 42.74 C ATOM 145 NZ LYS A 24 21.152 20.336 20.318 1.00 48.93 N ATOM 146 N LEU A 25 16.685 25.696 17.434 1.00 8.56 N ATOM 147 CA LEU A 25 16.874 27.082 17.048 1.00 10.56 C ATOM 148 C LEU A 25 17.780 27.768 18.131 1.00 12.86 C ATOM 149 O LEU A 25 17.819 27.263 19.265 1.00 13.37 O ATOM 150 CB LEU A 25 15.536 27.840 16.981 1.00 8.95 C ATOM 151 CG LEU A 25 14.369 27.289 16.227 1.00 11.62 C ATOM 152 CD1 LEU A 25 13.074 28.072 16.464 1.00 8.85 C ATOM 153 CD2 LEU A 25 14.728 27.269 14.723 1.00 4.93 C ATOM 154 N MET A 26 18.384 28.847 17.673 1.00 12.41 N ATOM 155 CA MET A 26 19.162 29.731 18.547 1.00 13.66 C ATOM 156 C MET A 26 18.087 30.775 18.949 1.00 13.19 C ATOM 157 O MET A 26 17.488 31.435 18.045 1.00 13.40 O ATOM 158 CB MET A 26 20.288 30.377 17.763 1.00 18.33 C ATOM 159 CG MET A 26 21.240 31.108 18.667 1.00 28.29 C ATOM 160 SD MET A 26 22.090 30.028 19.833 1.00 32.57 S ATOM 161 CE MET A 26 22.716 28.689 18.900 1.00 28.99 C ATOM 162 N TYR A 27 17.829 30.858 20.219 1.00 13.50 N ATOM 163 CA TYR A 27 16.762 31.789 20.705 1.00 15.29 C ATOM 164 C TYR A 27 17.350 32.543 21.906 1.00 17.07 C ATOM 165 O TYR A 27 17.828 31.950 22.864 1.00 17.11 O ATOM 166 CB TYR A 27 15.511 30.997 21.072 1.00 9.00 C ATOM 167 CG TYR A 27 14.430 31.847 21.703 1.00 11.06 C ATOM 168 CD1 TYR A 27 13.722 32.808 20.997 1.00 14.97 C ATOM 169 CD2 TYR A 27 14.204 31.746 23.074 1.00 17.12 C ATOM 170 CE1 TYR A 27 12.773 33.616 21.623 1.00 18.69 C ATOM 171 CE2 TYR A 27 13.273 32.560 23.729 1.00 19.03 C ATOM 172 CZ TYR A 27 12.558 33.485 22.996 1.00 24.88 C ATOM 173 OH TYR A 27 11.657 34.283 23.664 1.00 27.74 O ATOM 174 N LYS A 28 17.305 33.834 21.760 1.00 19.30 N ATOM 175 CA LYS A 28 17.843 34.810 22.732 1.00 21.84 C ATOM 176 C LYS A 28 19.273 34.384 23.097 1.00 22.60 C ATOM 177 O LYS A 28 19.641 34.258 24.266 1.00 23.63 O ATOM 178 CB LYS A 28 17.016 35.026 23.959 1.00 24.52 C ATOM 179 CG LYS A 28 15.840 36.024 23.788 1.00 28.56 C ATOM 180 CD LYS A 28 14.807 35.578 24.808 1.00 40.31 C ATOM 181 CE LYS A 28 14.109 36.682 25.549 1.00 53.49 C ATOM 182 NZ LYS A 28 13.671 36.213 26.913 1.00 60.30 N ATOM 183 N GLY A 29 20.032 34.128 22.058 1.00 23.19 N ATOM 184 CA GLY A 29 21.421 33.755 22.136 1.00 24.29 C ATOM 185 C GLY A 29 21.687 32.354 22.611 1.00 24.79 C ATOM 186 O GLY A 29 22.907 32.054 22.749 1.00 26.22 O ATOM 187 N GLN A 30 20.663 31.535 22.847 1.00 24.04 N ATOM 188 CA GLN A 30 20.989 30.148 23.243 1.00 22.94 C ATOM 189 C GLN A 30 20.236 29.118 22.395 1.00 20.67 C ATOM 190 O GLN A 30 19.158 29.402 21.926 1.00 20.75 O ATOM 191 CB GLN A 30 20.927 29.877 24.694 1.00 32.99 C ATOM 192 CG GLN A 30 19.550 29.950 25.330 1.00 45.72 C ATOM 193 CD GLN A 30 19.801 29.734 26.829 1.00 58.21 C ATOM 194 OE1 GLN A 30 19.712 28.614 27.317 1.00 64.99 O ATOM 195 NE2 GLN A 30 20.194 30.844 27.454 1.00 63.34 N ATOM 196 N PRO A 31 20.890 27.983 22.223 1.00 19.77 N ATOM 197 CA PRO A 31 20.344 26.871 21.449 1.00 18.67 C ATOM 198 C PRO A 31 19.210 26.237 22.241 1.00 17.88 C ATOM 199 O PRO A 31 19.436 25.900 23.417 1.00 18.79 O ATOM 200 CB PRO A 31 21.517 25.913 21.263 1.00 19.15 C ATOM 201 CG PRO A 31 22.487 26.244 22.349 1.00 19.43 C ATOM 202 CD PRO A 31 22.238 27.683 22.763 1.00 19.79 C ATOM 203 N MET A 32 18.058 26.066 21.667 1.00 14.82 N ATOM 204 CA MET A 32 16.882 25.495 22.296 1.00 14.09 C ATOM 205 C MET A 32 16.153 24.584 21.281 1.00 12.16 C ATOM 206 O MET A 32 16.083 24.951 20.102 1.00 12.21 O ATOM 207 CB MET A 32 15.824 26.556 22.608 1.00 16.76 C ATOM 208 CG MET A 32 15.882 27.199 23.934 1.00 27.32 C ATOM 209 SD MET A 32 14.165 27.800 24.228 1.00 35.66 S ATOM 210 CE MET A 32 13.498 26.264 24.928 1.00 33.91 C ATOM 211 N THR A 33 15.620 23.528 21.827 1.00 11.03 N ATOM 212 CA THR A 33 14.818 22.622 20.969 1.00 10.30 C ATOM 213 C THR A 33 13.359 23.112 21.112 1.00 9.19 C ATOM 214 O THR A 33 12.909 23.365 22.259 1.00 9.23 O ATOM 215 CB THR A 33 14.913 21.122 21.431 1.00 15.15 C ATOM 216 OG1 THR A 33 16.298 20.761 21.268 1.00 16.05 O ATOM 217 CG2 THR A 33 13.976 20.176 20.660 1.00 9.14 C ATOM 218 N PHE A 34 12.682 23.214 20.009 1.00 7.22 N ATOM 219 CA PHE A 34 11.297 23.683 20.052 1.00 6.53 C ATOM 220 C PHE A 34 10.404 22.553 19.544 1.00 7.46 C ATOM 221 O PHE A 34 10.732 21.907 18.512 1.00 7.63 O ATOM 222 CB PHE A 34 11.096 24.924 19.143 1.00 4.67 C ATOM 223 CG PHE A 34 11.485 26.181 19.825 1.00 8.80 C ATOM 224 CD1 PHE A 34 12.814 26.617 19.831 1.00 6.20 C ATOM 225 CD2 PHE A 34 10.502 26.977 20.438 1.00 10.99 C ATOM 226 CE1 PHE A 34 13.156 27.802 20.474 1.00 12.34 C ATOM 227 CE2 PHE A 34 10.829 28.183 21.054 1.00 5.98 C ATOM 228 CZ PHE A 34 12.189 28.553 21.113 1.00 7.54 C ATOM 229 N ARG A 35 9.311 22.396 20.227 1.00 6.21 N ATOM 230 CA ARG A 35 8.285 21.427 19.846 1.00 6.47 C ATOM 231 C ARG A 35 7.145 22.298 19.256 1.00 7.10 C ATOM 232 O ARG A 35 6.750 23.264 19.902 1.00 6.54 O ATOM 233 CB ARG A 35 7.844 20.631 21.063 1.00 6.88 C ATOM 234 CG ARG A 35 6.556 19.830 20.853 1.00 9.58 C ATOM 235 CD ARG A 35 6.781 18.729 19.885 1.00 12.32 C ATOM 236 NE ARG A 35 5.754 17.698 19.918 1.00 17.39 N ATOM 237 CZ ARG A 35 4.626 17.641 19.190 1.00 22.04 C ATOM 238 NH1 ARG A 35 4.266 18.561 18.309 1.00 11.26 N ATOM 239 NH2 ARG A 35 3.785 16.569 19.290 1.00 18.93 N ATOM 240 N LEU A 36 6.682 21.972 18.071 1.00 6.40 N ATOM 241 CA LEU A 36 5.615 22.756 17.428 1.00 7.73 C ATOM 242 C LEU A 36 4.289 22.620 18.182 1.00 7.57 C ATOM 243 O LEU A 36 3.837 21.472 18.279 1.00 9.13 O ATOM 244 CB LEU A 36 5.488 22.278 15.960 1.00 9.20 C ATOM 245 CG LEU A 36 6.623 22.511 14.973 1.00 11.44 C ATOM 246 CD1 LEU A 36 6.193 22.045 13.562 1.00 17.26 C ATOM 247 CD2 LEU A 36 6.910 23.971 14.894 1.00 10.72 C ATOM 248 N LEU A 37 3.705 23.713 18.616 1.00 8.68 N ATOM 249 CA LEU A 37 2.421 23.680 19.304 1.00 8.68 C ATOM 250 C LEU A 37 1.306 23.153 18.405 1.00 9.09 C ATOM 251 O LEU A 37 1.257 23.388 17.208 1.00 8.73 O ATOM 252 CB LEU A 37 2.038 25.104 19.709 1.00 6.64 C ATOM 253 CG LEU A 37 2.352 25.533 21.116 1.00 12.49 C ATOM 254 CD1 LEU A 37 1.933 26.969 21.380 1.00 11.80 C ATOM 255 CD2 LEU A 37 1.769 24.560 22.147 1.00 13.95 C ATOM 256 N LEU A 38 0.385 22.455 19.049 1.00 10.98 N ATOM 257 CA LEU A 38 -0.856 21.925 18.481 1.00 11.57 C ATOM 258 C LEU A 38 -0.807 20.973 17.328 1.00 12.85 C ATOM 259 O LEU A 38 -1.935 20.764 16.786 1.00 14.92 O ATOM 260 CB LEU A 38 -1.771 23.135 18.166 1.00 9.72 C ATOM 261 CG LEU A 38 -2.334 23.843 19.377 1.00 17.46 C ATOM 262 CD1 LEU A 38 -2.970 25.178 19.004 1.00 21.50 C ATOM 263 CD2 LEU A 38 -3.417 22.981 20.009 1.00 19.00 C ATOM 264 N VAL A 39 0.305 20.421 16.933 1.00 12.38 N ATOM 265 CA VAL A 39 0.305 19.461 15.830 1.00 14.50 C ATOM 266 C VAL A 39 1.033 18.186 16.253 1.00 16.08 C ATOM 267 O VAL A 39 1.933 18.218 17.107 1.00 16.34 O ATOM 268 CB VAL A 39 0.927 20.028 14.540 1.00 15.21 C ATOM 269 CG1 VAL A 39 0.171 21.301 14.150 1.00 14.70 C ATOM 270 CG2 VAL A 39 2.412 20.244 14.659 1.00 11.65 C ATOM 271 N ASP A 40 0.657 17.141 15.599 1.00 17.44 N ATOM 272 CA ASP A 40 1.259 15.812 15.769 1.00 19.51 C ATOM 273 C ASP A 40 1.592 15.311 14.344 1.00 19.48 C ATOM 274 O ASP A 40 0.626 15.041 13.618 1.00 19.62 O ATOM 275 CB ASP A 40 0.362 14.824 16.486 1.00 30.24 C ATOM 276 CG ASP A 40 0.145 14.896 17.964 1.00 46.77 C ATOM 277 OD1 ASP A 40 0.928 15.431 18.787 1.00 50.28 O ATOM 278 OD2 ASP A 40 -0.928 14.345 18.387 1.00 51.42 O ATOM 279 N THR A 41 2.827 15.213 14.036 1.00 20.42 N ATOM 280 CA THR A 41 3.298 14.667 12.764 1.00 23.69 C ATOM 281 C THR A 41 3.730 13.220 13.036 1.00 27.17 C ATOM 282 O THR A 41 3.998 12.866 14.204 1.00 27.36 O ATOM 283 CB THR A 41 4.471 15.556 12.239 1.00 23.52 C ATOM 284 OG1 THR A 41 5.598 15.327 13.147 1.00 23.28 O ATOM 285 CG2 THR A 41 4.092 17.053 12.275 1.00 30.13 C ATOM 286 N PRO A 42 3.759 12.417 11.987 1.00 29.03 N ATOM 287 CA PRO A 42 4.217 11.011 12.071 1.00 30.81 C ATOM 288 C PRO A 42 5.715 11.108 12.407 1.00 32.93 C ATOM 289 O PRO A 42 6.398 12.039 11.926 1.00 32.46 O ATOM 290 CB PRO A 42 3.898 10.425 10.710 1.00 29.94 C ATOM 291 CG PRO A 42 2.958 11.411 10.046 1.00 29.14 C ATOM 292 CD PRO A 42 3.419 12.768 10.589 1.00 29.03 C ATOM 293 N GLU A 43 6.192 10.227 13.256 1.00 36.13 N ATOM 294 CA GLU A 43 7.572 10.244 13.707 1.00 40.58 C ATOM 295 C GLU A 43 8.471 9.370 12.830 1.00 42.78 C ATOM 296 O GLU A 43 8.026 8.420 12.212 1.00 42.59 O ATOM 297 CB GLU A 43 7.841 9.725 15.118 1.00 52.63 C ATOM 298 CG GLU A 43 8.328 10.655 16.221 1.00 60.61 C ATOM 299 CD GLU A 43 7.312 11.045 17.254 1.00 65.10 C ATOM 300 OE1 GLU A 43 6.271 10.435 17.457 1.00 71.08 O ATOM 301 OE2 GLU A 43 7.607 12.052 17.922 1.00 67.21 O ATOM 302 N THR A 44 9.714 9.759 12.896 1.00 45.44 N ATOM 303 CA THR A 44 10.835 9.087 12.245 1.00 49.55 C ATOM 304 C THR A 44 11.783 8.560 13.345 1.00 53.10 C ATOM 305 O THR A 44 12.703 7.749 13.147 1.00 53.57 O ATOM 306 CB THR A 44 11.578 10.096 11.291 1.00 43.69 C ATOM 307 OG1 THR A 44 12.129 11.141 12.159 1.00 42.71 O ATOM 308 CG2 THR A 44 10.677 10.680 10.205 1.00 45.28 C ATOM 309 N LYS A 45 11.540 9.086 14.536 1.00 56.06 N ATOM 310 CA LYS A 45 12.286 8.820 15.768 1.00 59.58 C ATOM 311 C LYS A 45 11.292 8.434 16.868 1.00 61.58 C ATOM 312 O LYS A 45 11.373 8.885 18.032 1.00 61.59 O ATOM 313 CB LYS A 45 13.026 10.088 16.235 1.00 66.57 C ATOM 314 CG LYS A 45 14.226 10.524 15.414 1.00 71.38 C ATOM 315 CD LYS A 45 14.281 12.045 15.257 1.00 73.85 C ATOM 316 CE LYS A 45 15.171 12.446 14.102 1.00 76.26 C ATOM 317 NZ LYS A 45 16.615 12.412 14.456 1.00 79.65 N ATOM 318 N HIS A 46 10.324 7.641 16.418 1.00 63.58 N ATOM 319 CA HIS A 46 9.262 7.173 17.329 1.00 65.95 C ATOM 320 C HIS A 46 9.959 6.225 18.317 1.00 67.23 C ATOM 321 O HIS A 46 10.497 5.193 17.874 1.00 67.82 O ATOM 322 CB HIS A 46 8.041 6.453 16.680 1.00 68.34 C ATOM 323 CG HIS A 46 7.002 6.249 17.760 1.00 69.31 C ATOM 324 ND1 HIS A 46 6.855 5.108 18.494 1.00 68.64 N ATOM 325 CD2 HIS A 46 6.135 7.155 18.273 1.00 70.43 C ATOM 326 CE1 HIS A 46 5.906 5.304 19.391 1.00 71.33 C ATOM 327 NE2 HIS A 46 5.461 6.533 19.284 1.00 72.49 N ATOM 328 N PRO A 47 9.919 6.601 19.587 1.00 67.76 N ATOM 329 CA PRO A 47 10.519 5.808 20.660 1.00 67.90 C ATOM 330 C PRO A 47 10.269 4.315 20.556 1.00 67.90 C ATOM 331 O PRO A 47 11.179 3.508 20.857 1.00 67.93 O ATOM 332 CB PRO A 47 9.891 6.402 21.934 1.00 67.95 C ATOM 333 CG PRO A 47 9.727 7.870 21.570 1.00 68.08 C ATOM 334 CD PRO A 47 9.285 7.837 20.105 1.00 67.95 C ATOM 335 N LYS A 48 9.073 3.957 20.097 1.00 67.93 N ATOM 336 CA LYS A 48 8.632 2.587 19.939 1.00 67.75 C ATOM 337 C LYS A 48 8.456 2.032 18.534 1.00 67.06 C ATOM 338 O LYS A 48 9.047 0.985 18.182 1.00 67.16 O ATOM 339 CB LYS A 48 7.243 2.361 20.604 1.00 73.63 C ATOM 340 CG LYS A 48 7.038 3.086 21.923 1.00 80.58 C ATOM 341 CD LYS A 48 5.608 2.931 22.443 1.00 86.55 C ATOM 342 CE LYS A 48 5.619 2.588 23.928 1.00 90.13 C ATOM 343 NZ LYS A 48 4.244 2.523 24.485 1.00 91.00 N ATOM 344 N LYS A 49 7.620 2.698 17.760 1.00 66.18 N ATOM 345 CA LYS A 49 7.182 2.326 16.436 1.00 64.82 C ATOM 346 C LYS A 49 7.959 2.502 15.174 1.00 63.35 C ATOM 347 O LYS A 49 7.354 2.322 14.068 1.00 63.56 O ATOM 348 CB LYS A 49 5.775 2.993 16.237 1.00 69.31 C ATOM 349 CG LYS A 49 4.805 2.570 17.341 1.00 76.38 C ATOM 350 CD LYS A 49 3.378 2.440 16.843 1.00 81.22 C ATOM 351 CE LYS A 49 2.702 3.776 16.626 1.00 85.16 C ATOM 352 NZ LYS A 49 1.220 3.629 16.566 1.00 88.95 N ATOM 353 N GLY A 50 9.237 2.787 15.205 1.00 61.90 N ATOM 354 CA GLY A 50 10.110 2.958 14.030 1.00 59.45 C ATOM 355 C GLY A 50 9.873 4.296 13.312 1.00 57.33 C ATOM 356 O GLY A 50 9.936 5.400 13.880 1.00 57.35 O ATOM 357 N VAL A 51 9.617 4.146 12.027 1.00 54.90 N ATOM 358 CA VAL A 51 9.339 5.249 11.096 1.00 51.91 C ATOM 359 C VAL A 51 7.875 5.078 10.682 1.00 49.52 C ATOM 360 O VAL A 51 7.572 4.082 10.000 1.00 49.83 O ATOM 361 CB VAL A 51 10.350 5.261 9.946 1.00 54.69 C ATOM 362 CG1 VAL A 51 9.834 5.670 8.571 1.00 54.06 C ATOM 363 CG2 VAL A 51 11.580 6.130 10.261 1.00 58.13 C ATOM 364 N GLU A 52 7.065 6.021 11.108 1.00 46.51 N ATOM 365 CA GLU A 52 5.622 5.983 10.790 1.00 43.12 C ATOM 366 C GLU A 52 5.383 6.482 9.382 1.00 40.63 C ATOM 367 O GLU A 52 6.229 7.190 8.829 1.00 40.05 O ATOM 368 CB GLU A 52 4.845 6.805 11.788 1.00 44.08 C ATOM 369 CG GLU A 52 5.372 6.563 13.226 1.00 48.41 C ATOM 370 CD GLU A 52 4.638 7.415 14.214 1.00 52.06 C ATOM 371 OE1 GLU A 52 3.448 7.050 14.276 1.00 53.89 O ATOM 372 OE2 GLU A 52 5.168 8.314 14.814 1.00 55.11 O ATOM 373 N LYS A 53 4.276 6.043 8.810 1.00 38.58 N ATOM 374 CA LYS A 53 3.934 6.419 7.421 1.00 36.54 C ATOM 375 C LYS A 53 3.690 7.920 7.369 1.00 34.71 C ATOM 376 O LYS A 53 2.860 8.426 8.148 1.00 35.10 O ATOM 377 CB LYS A 53 2.750 5.632 6.914 1.00 38.74 C ATOM 378 CG LYS A 53 2.921 5.309 5.411 1.00 49.36 C ATOM 379 CD LYS A 53 1.586 5.475 4.718 1.00 62.08 C ATOM 380 CE LYS A 53 1.688 5.782 3.241 1.00 72.10 C ATOM 381 NZ LYS A 53 0.312 6.050 2.679 1.00 81.68 N ATOM 382 N TYR A 54 4.389 8.608 6.483 1.00 32.38 N ATOM 383 CA TYR A 54 4.317 10.065 6.326 1.00 29.22 C ATOM 384 C TYR A 54 5.339 10.795 7.182 1.00 27.47 C ATOM 385 O TYR A 54 5.561 12.021 7.083 1.00 27.00 O ATOM 386 CB TYR A 54 2.894 10.627 6.456 1.00 24.59 C ATOM 387 CG TYR A 54 2.039 10.136 5.302 1.00 24.61 C ATOM 388 CD1 TYR A 54 2.342 10.548 4.006 1.00 23.41 C ATOM 389 CD2 TYR A 54 0.971 9.273 5.495 1.00 26.28 C ATOM 390 CE1 TYR A 54 1.569 10.135 2.927 1.00 29.67 C ATOM 391 CE2 TYR A 54 0.205 8.841 4.416 1.00 28.67 C ATOM 392 CZ TYR A 54 0.504 9.271 3.135 1.00 30.22 C ATOM 393 OH TYR A 54 -0.231 8.840 2.063 1.00 35.69 O ATOM 394 N GLY A 55 6.070 10.041 7.986 1.00 26.03 N ATOM 395 CA GLY A 55 7.162 10.582 8.816 1.00 23.59 C ATOM 396 C GLY A 55 8.222 11.261 7.984 1.00 22.42 C ATOM 397 O GLY A 55 8.555 12.439 8.233 1.00 22.96 O ATOM 398 N PRO A 56 8.819 10.566 7.027 1.00 21.19 N ATOM 399 CA PRO A 56 9.865 11.078 6.175 1.00 19.80 C ATOM 400 C PRO A 56 9.344 12.313 5.448 1.00 18.53 C ATOM 401 O PRO A 56 10.106 13.240 5.325 1.00 18.46 O ATOM 402 CB PRO A 56 10.177 10.012 5.142 1.00 20.50 C ATOM 403 CG PRO A 56 9.805 8.777 5.937 1.00 21.02 C ATOM 404 CD PRO A 56 8.492 9.175 6.649 1.00 21.09 C ATOM 405 N GLU A 57 8.137 12.195 4.964 1.00 17.80 N ATOM 406 CA GLU A 57 7.479 13.292 4.248 1.00 16.66 C ATOM 407 C GLU A 57 7.240 14.514 5.131 1.00 15.30 C ATOM 408 O GLU A 57 7.571 15.614 4.658 1.00 14.92 O ATOM 409 CB GLU A 57 6.209 12.858 3.551 1.00 22.89 C ATOM 410 CG GLU A 57 6.371 11.951 2.318 1.00 27.97 C ATOM 411 CD GLU A 57 6.469 10.485 2.573 1.00 34.18 C ATOM 412 OE1 GLU A 57 6.637 9.966 3.659 1.00 34.83 O ATOM 413 OE2 GLU A 57 6.321 9.844 1.506 1.00 37.94 O ATOM 414 N ALA A 58 6.738 14.329 6.345 1.00 14.87 N ATOM 415 CA ALA A 58 6.493 15.443 7.285 1.00 14.03 C ATOM 416 C ALA A 58 7.803 16.078 7.693 1.00 14.95 C ATOM 417 O ALA A 58 7.926 17.318 7.796 1.00 14.20 O ATOM 418 CB ALA A 58 5.669 14.992 8.466 1.00 8.84 C ATOM 419 N SER A 59 8.856 15.261 7.832 1.00 15.67 N ATOM 420 CA SER A 59 10.196 15.753 8.179 1.00 15.75 C ATOM 421 C SER A 59 10.776 16.600 7.035 1.00 16.02 C ATOM 422 O SER A 59 11.375 17.658 7.291 1.00 15.82 O ATOM 423 CB SER A 59 11.248 14.656 8.379 1.00 19.36 C ATOM 424 OG SER A 59 11.021 13.981 9.558 1.00 26.87 O ATOM 425 N ALA A 60 10.656 16.060 5.826 1.00 15.75 N ATOM 426 CA ALA A 60 11.225 16.766 4.668 1.00 15.24 C ATOM 427 C ALA A 60 10.538 18.136 4.521 1.00 13.38 C ATOM 428 O ALA A 60 11.134 19.135 4.123 1.00 14.85 O ATOM 429 CB ALA A 60 10.911 15.962 3.403 1.00 17.99 C ATOM 430 N PHE A 61 9.262 18.076 4.740 1.00 12.65 N ATOM 431 CA PHE A 61 8.394 19.254 4.654 1.00 13.16 C ATOM 432 C PHE A 61 8.898 20.289 5.664 1.00 13.34 C ATOM 433 O PHE A 61 9.271 21.385 5.188 1.00 13.86 O ATOM 434 CB PHE A 61 6.923 18.896 4.797 1.00 15.22 C ATOM 435 CG PHE A 61 6.026 20.066 4.460 1.00 11.49 C ATOM 436 CD1 PHE A 61 5.711 21.010 5.422 1.00 14.02 C ATOM 437 CD2 PHE A 61 5.538 20.193 3.171 1.00 13.56 C ATOM 438 CE1 PHE A 61 4.849 22.075 5.095 1.00 14.48 C ATOM 439 CE2 PHE A 61 4.698 21.229 2.822 1.00 20.01 C ATOM 440 CZ PHE A 61 4.359 22.190 3.796 1.00 18.68 C ATOM 441 N THR A 62 8.923 19.962 6.947 1.00 12.91 N ATOM 442 CA THR A 62 9.425 20.982 7.905 1.00 13.09 C ATOM 443 C THR A 62 10.802 21.486 7.563 1.00 13.02 C ATOM 444 O THR A 62 11.092 22.700 7.586 1.00 12.88 O ATOM 445 CB THR A 62 9.341 20.408 9.360 1.00 13.08 C ATOM 446 OG1 THR A 62 7.928 20.046 9.470 1.00 12.22 O ATOM 447 CG2 THR A 62 9.939 21.311 10.424 1.00 9.37 C ATOM 448 N LYS A 63 11.695 20.546 7.265 1.00 13.80 N ATOM 449 CA LYS A 63 13.117 20.889 6.962 1.00 13.97 C ATOM 450 C LYS A 63 13.180 21.859 5.795 1.00 13.90 C ATOM 451 O LYS A 63 13.864 22.893 5.858 1.00 14.70 O ATOM 452 CB LYS A 63 13.873 19.616 6.591 1.00 16.69 C ATOM 453 CG LYS A 63 15.391 19.744 6.310 1.00 16.41 C ATOM 454 CD LYS A 63 15.812 18.259 6.129 1.00 27.49 C ATOM 455 CE LYS A 63 17.233 17.937 6.310 1.00 33.71 C ATOM 456 NZ LYS A 63 18.182 18.968 5.840 1.00 35.70 N ATOM 457 N LYS A 64 12.438 21.513 4.731 1.00 14.86 N ATOM 458 CA LYS A 64 12.493 22.384 3.532 1.00 15.52 C ATOM 459 C LYS A 64 12.072 23.800 3.848 1.00 14.82 C ATOM 460 O LYS A 64 12.699 24.779 3.405 1.00 16.65 O ATOM 461 CB LYS A 64 11.702 21.853 2.336 1.00 26.70 C ATOM 462 CG LYS A 64 11.874 22.655 1.046 1.00 36.05 C ATOM 463 CD LYS A 64 10.925 22.309 -0.079 1.00 50.67 C ATOM 464 CE LYS A 64 9.500 22.841 0.076 1.00 58.60 C ATOM 465 NZ LYS A 64 8.918 23.189 -1.271 1.00 61.55 N ATOM 466 N MET A 65 10.976 23.893 4.565 1.00 14.68 N ATOM 467 CA MET A 65 10.364 25.181 4.917 1.00 13.40 C ATOM 468 C MET A 65 11.283 25.998 5.786 1.00 12.38 C ATOM 469 O MET A 65 11.334 27.209 5.531 1.00 11.90 O ATOM 470 CB MET A 65 8.969 24.901 5.490 1.00 15.54 C ATOM 471 CG MET A 65 8.137 26.164 5.534 1.00 18.37 C ATOM 472 SD MET A 65 6.426 25.616 6.011 1.00 13.56 S ATOM 473 CE MET A 65 5.743 27.268 6.318 1.00 11.36 C ATOM 474 N VAL A 66 11.943 25.421 6.793 1.00 11.92 N ATOM 475 CA VAL A 66 12.785 26.294 7.634 1.00 12.18 C ATOM 476 C VAL A 66 14.144 26.560 6.984 1.00 13.59 C ATOM 477 O VAL A 66 14.723 27.637 7.229 1.00 13.45 O ATOM 478 CB VAL A 66 12.877 25.829 9.077 1.00 9.52 C ATOM 479 CG1 VAL A 66 11.525 25.778 9.775 1.00 12.89 C ATOM 480 CG2 VAL A 66 13.582 24.482 9.212 1.00 8.51 C ATOM 481 N GLU A 67 14.634 25.555 6.246 1.00 14.21 N ATOM 482 CA GLU A 67 15.972 25.706 5.663 1.00 16.01 C ATOM 483 C GLU A 67 15.929 26.728 4.560 1.00 17.43 C ATOM 484 O GLU A 67 16.952 27.405 4.465 1.00 18.28 O ATOM 485 CB GLU A 67 16.600 24.435 5.170 1.00 21.58 C ATOM 486 CG GLU A 67 17.275 23.555 6.253 1.00 29.28 C ATOM 487 CD GLU A 67 17.745 22.200 5.806 1.00 34.91 C ATOM 488 OE1 GLU A 67 17.741 21.857 4.627 1.00 36.04 O ATOM 489 OE2 GLU A 67 18.082 21.431 6.732 1.00 31.36 O ATOM 490 N ASN A 68 14.830 26.824 3.847 1.00 18.55 N ATOM 491 CA ASN A 68 14.744 27.832 2.765 1.00 19.12 C ATOM 492 C ASN A 68 14.251 29.210 3.181 1.00 20.12 C ATOM 493 O ASN A 68 14.205 30.111 2.282 1.00 20.43 O ATOM 494 CB ASN A 68 13.924 27.279 1.584 1.00 24.89 C ATOM 495 CG ASN A 68 14.551 26.098 0.885 1.00 31.18 C ATOM 496 OD1 ASN A 68 13.825 25.188 0.446 1.00 38.17 O ATOM 497 ND2 ASN A 68 15.877 26.097 0.723 1.00 31.82 N ATOM 498 N ALA A 69 13.892 29.430 4.447 1.00 18.54 N ATOM 499 CA ALA A 69 13.396 30.720 4.900 1.00 17.92 C ATOM 500 C ALA A 69 14.516 31.749 5.073 1.00 17.92 C ATOM 501 O ALA A 69 15.678 31.408 5.439 1.00 19.23 O ATOM 502 CB ALA A 69 12.762 30.533 6.306 1.00 11.24 C ATOM 503 N LYS A 70 14.125 33.000 4.881 1.00 16.67 N ATOM 504 CA LYS A 70 15.149 34.043 5.138 1.00 16.49 C ATOM 505 C LYS A 70 14.983 34.535 6.566 1.00 15.62 C ATOM 506 O LYS A 70 15.947 35.040 7.177 1.00 15.70 O ATOM 507 CB LYS A 70 15.116 35.040 4.086 1.00 23.57 C ATOM 508 CG LYS A 70 14.047 36.077 4.014 1.00 25.50 C ATOM 509 CD LYS A 70 14.407 36.863 2.714 1.00 24.59 C ATOM 510 CE LYS A 70 13.266 37.756 2.353 1.00 23.86 C ATOM 511 NZ LYS A 70 13.707 38.770 1.393 1.00 19.63 N ATOM 512 N LYS A 71 13.781 34.386 7.103 1.00 14.14 N ATOM 513 CA LYS A 71 13.511 34.815 8.483 1.00 12.93 C ATOM 514 C LYS A 71 12.628 33.785 9.203 1.00 11.49 C ATOM 515 O LYS A 71 11.582 33.396 8.655 1.00 12.35 O ATOM 516 CB LYS A 71 12.698 36.118 8.536 1.00 18.00 C ATOM 517 CG LYS A 71 13.219 37.188 7.582 1.00 26.78 C ATOM 518 CD LYS A 71 13.432 38.454 8.367 1.00 34.30 C ATOM 519 CE LYS A 71 12.353 39.492 8.216 1.00 35.30 C ATOM 520 NZ LYS A 71 12.862 40.595 7.356 1.00 37.32 N ATOM 521 N ILE A 72 13.045 33.418 10.373 1.00 10.52 N ATOM 522 CA ILE A 72 12.271 32.480 11.213 1.00 9.81 C ATOM 523 C ILE A 72 11.879 33.311 12.450 1.00 9.04 C ATOM 524 O ILE A 72 12.732 34.117 12.968 1.00 8.87 O ATOM 525 CB ILE A 72 13.069 31.208 11.607 1.00 8.21 C ATOM 526 CG1 ILE A 72 13.291 30.381 10.303 1.00 12.65 C ATOM 527 CG2 ILE A 72 12.363 30.358 12.736 1.00 5.24 C ATOM 528 CD1 ILE A 72 14.202 29.155 10.566 1.00 23.89 C ATOM 529 N GLU A 73 10.659 33.080 12.891 1.00 7.32 N ATOM 530 CA GLU A 73 10.157 33.752 14.090 1.00 6.21 C ATOM 531 C GLU A 73 9.456 32.691 14.943 1.00 7.37 C ATOM 532 O GLU A 73 8.959 31.705 14.404 1.00 7.92 O ATOM 533 CB GLU A 73 9.196 34.835 13.684 1.00 6.96 C ATOM 534 CG GLU A 73 9.897 36.002 12.934 1.00 13.63 C ATOM 535 CD GLU A 73 8.889 37.074 12.534 1.00 18.64 C ATOM 536 OE1 GLU A 73 8.081 36.613 11.712 1.00 19.49 O ATOM 537 OE2 GLU A 73 8.960 38.169 13.031 1.00 23.89 O ATOM 538 N VAL A 74 9.470 32.931 16.240 1.00 6.91 N ATOM 539 CA VAL A 74 8.818 32.046 17.226 1.00 8.45 C ATOM 540 C VAL A 74 7.765 32.880 17.978 1.00 8.72 C ATOM 541 O VAL A 74 7.988 34.079 18.301 1.00 10.90 O ATOM 542 CB VAL A 74 9.839 31.323 18.126 1.00 12.83 C ATOM 543 CG1 VAL A 74 11.050 30.775 17.357 1.00 13.81 C ATOM 544 CG2 VAL A 74 10.380 32.158 19.254 1.00 17.74 C ATOM 545 N GLU A 75 6.658 32.261 18.243 1.00 8.28 N ATOM 546 CA GLU A 75 5.557 32.913 18.986 1.00 8.16 C ATOM 547 C GLU A 75 5.085 31.941 20.082 1.00 8.55 C ATOM 548 O GLU A 75 4.525 30.875 19.751 1.00 7.32 O ATOM 549 CB GLU A 75 4.408 33.134 18.020 1.00 12.18 C ATOM 550 CG GLU A 75 3.111 33.748 18.574 1.00 14.50 C ATOM 551 CD GLU A 75 2.177 34.008 17.419 1.00 16.49 C ATOM 552 OE1 GLU A 75 1.816 32.958 16.856 1.00 12.33 O ATOM 553 OE2 GLU A 75 1.940 35.134 17.080 1.00 23.60 O ATOM 554 N PHE A 76 5.341 32.334 21.322 1.00 8.72 N ATOM 555 CA PHE A 76 4.881 31.512 22.467 1.00 9.69 C ATOM 556 C PHE A 76 3.379 31.777 22.612 1.00 9.77 C ATOM 557 O PHE A 76 2.901 32.787 22.099 1.00 10.43 O ATOM 558 CB PHE A 76 5.646 31.828 23.740 1.00 12.53 C ATOM 559 CG PHE A 76 7.085 31.395 23.717 1.00 11.43 C ATOM 560 CD1 PHE A 76 7.416 30.088 23.953 1.00 10.29 C ATOM 561 CD2 PHE A 76 8.093 32.335 23.432 1.00 15.04 C ATOM 562 CE1 PHE A 76 8.749 29.664 23.931 1.00 9.13 C ATOM 563 CE2 PHE A 76 9.414 31.952 23.389 1.00 15.35 C ATOM 564 CZ PHE A 76 9.726 30.609 23.651 1.00 10.60 C ATOM 565 N ASP A 77 2.700 30.871 23.283 1.00 9.62 N ATOM 566 CA ASP A 77 1.257 30.987 23.550 1.00 10.06 C ATOM 567 C ASP A 77 1.191 31.600 24.986 1.00 11.53 C ATOM 568 O ASP A 77 2.234 32.040 25.496 1.00 9.73 O ATOM 569 CB ASP A 77 0.469 29.716 23.330 1.00 9.02 C ATOM 570 CG ASP A 77 -0.969 30.006 22.884 1.00 14.51 C ATOM 571 OD1 ASP A 77 -1.486 31.051 23.353 1.00 14.11 O ATOM 572 OD2 ASP A 77 -1.546 29.234 22.135 1.00 12.54 O ATOM 573 N LYS A 78 -0.004 31.630 25.540 1.00 12.69 N ATOM 574 CA LYS A 78 -0.234 32.257 26.851 1.00 14.14 C ATOM 575 C LYS A 78 -0.032 31.300 28.004 1.00 14.84 C ATOM 576 O LYS A 78 0.036 31.821 29.142 1.00 16.14 O ATOM 577 CB LYS A 78 -1.611 32.931 26.885 1.00 19.57 C ATOM 578 CG LYS A 78 -2.754 31.903 26.879 1.00 31.04 C ATOM 579 CD LYS A 78 -3.999 32.525 26.245 1.00 40.94 C ATOM 580 CE LYS A 78 -4.931 31.487 25.642 1.00 46.89 C ATOM 581 NZ LYS A 78 -5.434 30.590 26.738 1.00 49.51 N ATOM 582 N GLY A 79 0.120 30.009 27.757 1.00 13.82 N ATOM 583 CA GLY A 79 0.330 29.085 28.900 1.00 13.80 C ATOM 584 C GLY A 79 1.816 28.784 29.104 1.00 13.87 C ATOM 585 O GLY A 79 2.635 29.669 28.797 1.00 14.25 O ATOM 586 N GLN A 80 2.132 27.571 29.590 1.00 12.66 N ATOM 587 CA GLN A 80 3.522 27.214 29.839 1.00 12.93 C ATOM 588 C GLN A 80 4.326 27.255 28.496 1.00 10.96 C ATOM 589 O GLN A 80 3.777 26.877 27.418 1.00 11.12 O ATOM 590 CB GLN A 80 3.770 25.853 30.455 1.00 22.15 C ATOM 591 CG GLN A 80 2.948 24.809 29.685 1.00 32.48 C ATOM 592 CD GLN A 80 1.795 24.492 30.661 1.00 46.51 C ATOM 593 OE1 GLN A 80 2.050 23.648 31.519 1.00 43.77 O ATOM 594 NE2 GLN A 80 0.712 25.241 30.484 1.00 45.06 N ATOM 595 N ARG A 81 5.542 27.684 28.682 1.00 9.55 N ATOM 596 CA ARG A 81 6.406 27.806 27.487 1.00 9.51 C ATOM 597 C ARG A 81 7.334 26.646 27.227 1.00 9.65 C ATOM 598 O ARG A 81 7.993 26.758 26.158 1.00 8.68 O ATOM 599 CB ARG A 81 7.385 29.000 27.619 1.00 19.39 C ATOM 600 CG ARG A 81 6.823 30.229 28.211 1.00 24.20 C ATOM 601 CD ARG A 81 5.793 30.739 27.273 1.00 22.78 C ATOM 602 NE ARG A 81 5.816 32.202 27.442 1.00 32.87 N ATOM 603 CZ ARG A 81 4.666 32.847 27.695 1.00 32.00 C ATOM 604 NH1 ARG A 81 3.521 32.144 27.810 1.00 24.22 N ATOM 605 NH2 ARG A 81 4.802 34.165 27.823 1.00 30.39 N ATOM 606 N THR A 82 7.492 25.756 28.170 1.00 8.80 N ATOM 607 CA THR A 82 8.400 24.602 27.942 1.00 9.32 C ATOM 608 C THR A 82 7.684 23.344 28.389 1.00 9.67 C ATOM 609 O THR A 82 6.794 23.462 29.277 1.00 9.47 O ATOM 610 CB THR A 82 9.776 24.774 28.658 1.00 11.86 C ATOM 611 OG1 THR A 82 9.418 24.589 30.061 1.00 15.76 O ATOM 612 CG2 THR A 82 10.451 26.111 28.419 1.00 10.53 C ATOM 613 N ASP A 83 7.990 22.236 27.791 1.00 10.36 N ATOM 614 CA ASP A 83 7.362 20.932 28.184 1.00 10.62 C ATOM 615 C ASP A 83 8.261 20.288 29.252 1.00 11.21 C ATOM 616 O ASP A 83 9.300 20.891 29.593 1.00 11.18 O ATOM 617 CB ASP A 83 7.069 20.062 27.001 1.00 12.46 C ATOM 618 CG ASP A 83 8.301 19.545 26.285 1.00 9.86 C ATOM 619 OD1 ASP A 83 9.456 19.680 26.665 1.00 8.32 O ATOM 620 OD2 ASP A 83 7.998 19.014 25.193 1.00 13.33 O ATOM 621 N LYS A 84 7.843 19.119 29.701 1.00 11.39 N ATOM 622 CA LYS A 84 8.657 18.460 30.766 1.00 13.25 C ATOM 623 C LYS A 84 10.015 18.018 30.262 1.00 12.17 C ATOM 624 O LYS A 84 10.858 17.720 31.111 1.00 12.93 O ATOM 625 CB LYS A 84 7.899 17.243 31.328 1.00 17.20 C ATOM 626 CG LYS A 84 7.616 16.272 30.173 1.00 21.41 C ATOM 627 CD LYS A 84 7.331 14.900 30.687 1.00 30.86 C ATOM 628 CE LYS A 84 5.905 14.803 31.163 1.00 39.89 C ATOM 629 NZ LYS A 84 5.570 13.342 31.231 1.00 56.48 N ATOM 630 N TYR A 85 10.226 17.990 28.952 1.00 11.75 N ATOM 631 CA TYR A 85 11.536 17.598 28.403 1.00 10.24 C ATOM 632 C TYR A 85 12.428 18.809 28.169 1.00 11.34 C ATOM 633 O TYR A 85 13.504 18.693 27.557 1.00 11.90 O ATOM 634 CB TYR A 85 11.436 16.782 27.113 1.00 11.58 C ATOM 635 CG TYR A 85 10.744 15.450 27.314 1.00 20.49 C ATOM 636 CD1 TYR A 85 11.420 14.313 27.787 1.00 16.56 C ATOM 637 CD2 TYR A 85 9.370 15.342 27.097 1.00 17.94 C ATOM 638 CE1 TYR A 85 10.723 13.131 28.008 1.00 15.71 C ATOM 639 CE2 TYR A 85 8.660 14.157 27.302 1.00 20.44 C ATOM 640 CZ TYR A 85 9.363 13.043 27.766 1.00 19.73 C ATOM 641 OH TYR A 85 8.722 11.870 27.971 1.00 24.95 O ATOM 642 N GLY A 86 11.949 19.987 28.577 1.00 10.71 N ATOM 643 CA GLY A 86 12.673 21.231 28.387 1.00 9.59 C ATOM 644 C GLY A 86 12.552 21.833 26.983 1.00 8.66 C ATOM 645 O GLY A 86 13.335 22.766 26.650 1.00 9.08 O ATOM 646 N ARG A 87 11.666 21.317 26.156 1.00 7.77 N ATOM 647 CA ARG A 87 11.487 21.910 24.792 1.00 7.39 C ATOM 648 C ARG A 87 10.561 23.136 24.831 1.00 7.10 C ATOM 649 O ARG A 87 9.522 23.069 25.533 1.00 7.36 O ATOM 650 CB ARG A 87 10.859 20.862 23.871 1.00 5.99 C ATOM 651 CG ARG A 87 11.716 19.602 23.766 1.00 10.04 C ATOM 652 CD ARG A 87 11.048 18.585 22.904 1.00 8.66 C ATOM 653 NE ARG A 87 9.782 18.125 23.346 1.00 13.74 N ATOM 654 CZ ARG A 87 9.098 17.222 22.614 1.00 16.05 C ATOM 655 NH1 ARG A 87 9.520 16.809 21.428 1.00 18.38 N ATOM 656 NH2 ARG A 87 7.946 16.741 23.078 1.00 11.71 N ATOM 657 N GLY A 88 10.848 24.151 24.069 1.00 6.74 N ATOM 658 CA GLY A 88 10.003 25.368 23.971 1.00 7.38 C ATOM 659 C GLY A 88 8.750 24.911 23.163 1.00 7.49 C ATOM 660 O GLY A 88 8.832 24.079 22.233 1.00 7.27 O ATOM 661 N LEU A 89 7.631 25.448 23.577 1.00 6.67 N ATOM 662 CA LEU A 89 6.318 25.188 22.964 1.00 5.52 C ATOM 663 C LEU A 89 5.908 26.480 22.231 1.00 5.06 C ATOM 664 O LEU A 89 5.566 27.442 22.920 1.00 5.44 O ATOM 665 CB LEU A 89 5.319 24.831 24.055 1.00 10.65 C ATOM 666 CG LEU A 89 5.536 23.516 24.814 1.00 12.67 C ATOM 667 CD1 LEU A 89 4.597 23.436 26.031 1.00 9.45 C ATOM 668 CD2 LEU A 89 5.233 22.370 23.849 1.00 11.08 C ATOM 669 N ALA A 90 5.997 26.391 20.894 1.00 4.43 N ATOM 670 CA ALA A 90 5.607 27.615 20.153 1.00 5.27 C ATOM 671 C ALA A 90 5.095 27.340 18.782 1.00 4.54 C ATOM 672 O ALA A 90 5.113 26.195 18.260 1.00 4.94 O ATOM 673 CB ALA A 90 6.940 28.407 20.103 1.00 5.13 C ATOM 674 N TYR A 91 4.629 28.426 18.190 1.00 4.58 N ATOM 675 CA TYR A 91 4.194 28.377 16.747 1.00 5.51 C ATOM 676 C TYR A 91 5.438 28.919 16.014 1.00 4.75 C ATOM 677 O TYR A 91 6.021 29.918 16.513 1.00 6.11 O ATOM 678 CB TYR A 91 3.028 29.364 16.571 1.00 5.32 C ATOM 679 CG TYR A 91 1.793 29.013 17.406 1.00 5.97 C ATOM 680 CD1 TYR A 91 1.020 27.889 17.107 1.00 6.01 C ATOM 681 CD2 TYR A 91 1.485 29.772 18.520 1.00 8.14 C ATOM 682 CE1 TYR A 91 -0.072 27.565 17.921 1.00 10.65 C ATOM 683 CE2 TYR A 91 0.380 29.483 19.319 1.00 10.68 C ATOM 684 CZ TYR A 91 -0.394 28.382 18.997 1.00 9.89 C ATOM 685 OH TYR A 91 -1.496 28.129 19.796 1.00 13.97 O ATOM 686 N ILE A 92 5.845 28.264 14.969 1.00 4.72 N ATOM 687 CA ILE A 92 7.095 28.747 14.268 1.00 5.66 C ATOM 688 C ILE A 92 6.682 29.348 12.928 1.00 5.12 C ATOM 689 O ILE A 92 5.893 28.648 12.274 1.00 5.02 O ATOM 690 CB ILE A 92 8.092 27.545 14.101 1.00 9.38 C ATOM 691 CG1 ILE A 92 8.483 26.957 15.481 1.00 10.23 C ATOM 692 CG2 ILE A 92 9.347 27.924 13.229 1.00 8.67 C ATOM 693 CD1 ILE A 92 9.276 27.847 16.430 1.00 17.82 C ATOM 694 N TYR A 93 7.258 30.460 12.565 1.00 6.09 N ATOM 695 CA TYR A 93 6.932 31.058 11.245 1.00 7.20 C ATOM 696 C TYR A 93 8.175 31.104 10.347 1.00 8.10 C ATOM 697 O TYR A 93 9.268 31.381 10.895 1.00 8.73 O ATOM 698 CB TYR A 93 6.497 32.508 11.498 1.00 6.14 C ATOM 699 CG TYR A 93 5.166 32.547 12.220 1.00 6.06 C ATOM 700 CD1 TYR A 93 5.107 32.454 13.596 1.00 6.99 C ATOM 701 CD2 TYR A 93 4.000 32.698 11.495 1.00 7.56 C ATOM 702 CE1 TYR A 93 3.881 32.490 14.299 1.00 5.73 C ATOM 703 CE2 TYR A 93 2.764 32.732 12.153 1.00 10.80 C ATOM 704 CZ TYR A 93 2.725 32.651 13.542 1.00 11.34 C ATOM 705 OH TYR A 93 1.528 32.729 14.187 1.00 13.98 O ATOM 706 N ALA A 94 7.976 30.843 9.080 1.00 8.53 N ATOM 707 CA ALA A 94 9.101 30.883 8.087 1.00 9.23 C ATOM 708 C ALA A 94 8.632 31.867 7.015 1.00 10.79 C ATOM 709 O ALA A 94 7.630 31.596 6.325 1.00 10.88 O ATOM 710 CB ALA A 94 9.292 29.509 7.512 1.00 12.00 C ATOM 711 N ASP A 95 9.328 32.991 6.976 1.00 10.46 N ATOM 712 CA ASP A 95 8.987 34.081 6.057 1.00 12.04 C ATOM 713 C ASP A 95 7.505 34.444 6.201 1.00 12.26 C ATOM 714 O ASP A 95 6.807 34.640 5.227 1.00 12.10 O ATOM 715 CB ASP A 95 9.434 33.817 4.625 1.00 14.72 C ATOM 716 CG ASP A 95 10.964 33.882 4.537 1.00 11.24 C ATOM 717 OD1 ASP A 95 11.573 34.668 5.309 1.00 18.63 O ATOM 718 OD2 ASP A 95 11.476 33.125 3.719 1.00 16.16 O ATOM 719 N GLY A 96 7.133 34.503 7.473 1.00 12.02 N ATOM 720 CA GLY A 96 5.759 34.885 7.818 1.00 11.18 C ATOM 721 C GLY A 96 4.759 33.791 7.643 1.00 10.12 C ATOM 722 O GLY A 96 3.572 34.110 7.941 1.00 11.41 O ATOM 723 N LYS A 97 5.127 32.615 7.221 1.00 9.09 N ATOM 724 CA LYS A 97 4.139 31.511 7.069 1.00 9.09 C ATOM 725 C LYS A 97 4.247 30.575 8.292 1.00 7.75 C ATOM 726 O LYS A 97 5.381 30.091 8.541 1.00 7.16 O ATOM 727 CB LYS A 97 4.414 30.689 5.845 1.00 18.77 C ATOM 728 CG LYS A 97 3.700 30.847 4.549 1.00 26.60 C ATOM 729 CD LYS A 97 3.695 29.534 3.749 1.00 39.01 C ATOM 730 CE LYS A 97 3.045 28.320 4.343 1.00 42.73 C ATOM 731 NZ LYS A 97 1.569 28.186 4.210 1.00 35.80 N ATOM 732 N MET A 98 3.149 30.277 8.953 1.00 6.55 N ATOM 733 CA MET A 98 3.256 29.349 10.144 1.00 6.90 C ATOM 734 C MET A 98 3.499 27.906 9.684 1.00 6.57 C ATOM 735 O MET A 98 2.665 27.345 8.940 1.00 6.18 O ATOM 736 CB MET A 98 1.997 29.366 11.006 1.00 9.74 C ATOM 737 CG MET A 98 2.257 28.945 12.417 1.00 8.63 C ATOM 738 SD MET A 98 0.697 28.432 13.175 1.00 10.73 S ATOM 739 CE MET A 98 -0.240 29.967 13.233 1.00 8.01 C ATOM 740 N VAL A 99 4.585 27.312 10.140 1.00 6.17 N ATOM 741 CA VAL A 99 4.941 25.942 9.834 1.00 5.49 C ATOM 742 C VAL A 99 3.855 25.015 10.384 1.00 5.66 C ATOM 743 O VAL A 99 3.525 24.013 9.707 1.00 6.04 O ATOM 744 CB VAL A 99 6.321 25.535 10.346 1.00 6.66 C ATOM 745 CG1 VAL A 99 6.646 24.060 9.967 1.00 4.50 C ATOM 746 CG2 VAL A 99 7.380 26.441 9.755 1.00 10.96 C ATOM 747 N ASN A 100 3.412 25.371 11.590 1.00 5.18 N ATOM 748 CA ASN A 100 2.381 24.554 12.259 1.00 6.53 C ATOM 749 C ASN A 100 1.194 24.371 11.292 1.00 7.22 C ATOM 750 O ASN A 100 0.761 23.212 11.081 1.00 6.86 O ATOM 751 CB ASN A 100 1.974 25.095 13.617 1.00 2.70 C ATOM 752 CG ASN A 100 3.146 25.484 14.521 1.00 5.13 C ATOM 753 OD1 ASN A 100 4.034 26.189 14.038 1.00 6.87 O ATOM 754 ND2 ASN A 100 3.136 25.045 15.788 1.00 6.97 N ATOM 755 N GLU A 101 0.731 25.482 10.741 1.00 5.33 N ATOM 756 CA GLU A 101 -0.449 25.400 9.826 1.00 5.93 C ATOM 757 C GLU A 101 -0.173 24.727 8.509 1.00 6.02 C ATOM 758 O GLU A 101 -0.992 23.902 8.044 1.00 6.06 O ATOM 759 CB GLU A 101 -0.948 26.823 9.573 1.00 8.02 C ATOM 760 CG GLU A 101 -2.324 26.865 8.898 1.00 14.13 C ATOM 761 CD GLU A 101 -2.246 26.899 7.400 1.00 20.56 C ATOM 762 OE1 GLU A 101 -1.291 27.287 6.754 1.00 22.12 O ATOM 763 OE2 GLU A 101 -3.277 26.403 6.906 1.00 23.08 O ATOM 764 N ALA A 102 0.946 25.054 7.887 1.00 6.36 N ATOM 765 CA ALA A 102 1.370 24.443 6.610 1.00 7.81 C ATOM 766 C ALA A 102 1.335 22.930 6.680 1.00 8.44 C ATOM 767 O ALA A 102 0.737 22.296 5.777 1.00 7.59 O ATOM 768 CB ALA A 102 2.658 25.049 6.107 1.00 9.02 C ATOM 769 N LEU A 103 1.834 22.307 7.756 1.00 8.81 N ATOM 770 CA LEU A 103 1.825 20.850 7.937 1.00 9.49 C ATOM 771 C LEU A 103 0.388 20.280 7.903 1.00 9.93 C ATOM 772 O LEU A 103 0.135 19.270 7.206 1.00 10.60 O ATOM 773 CB LEU A 103 2.539 20.477 9.267 1.00 7.95 C ATOM 774 CG LEU A 103 4.068 20.690 9.287 1.00 11.64 C ATOM 775 CD1 LEU A 103 4.665 20.573 10.694 1.00 8.83 C ATOM 776 CD2 LEU A 103 4.703 19.606 8.414 1.00 12.63 C ATOM 777 N VAL A 104 -0.463 20.850 8.729 1.00 9.29 N ATOM 778 CA VAL A 104 -1.863 20.415 8.858 1.00 8.79 C ATOM 779 C VAL A 104 -2.576 20.602 7.512 1.00 9.84 C ATOM 780 O VAL A 104 -3.300 19.667 7.113 1.00 10.84 O ATOM 781 CB VAL A 104 -2.530 21.301 9.952 1.00 8.65 C ATOM 782 CG1 VAL A 104 -4.041 21.073 9.974 1.00 11.71 C ATOM 783 CG2 VAL A 104 -1.909 20.985 11.308 1.00 9.10 C ATOM 784 N ARG A 105 -2.380 21.752 6.919 1.00 9.56 N ATOM 785 CA ARG A 105 -3.035 22.048 5.627 1.00 10.10 C ATOM 786 C ARG A 105 -2.702 21.037 4.543 1.00 11.42 C ATOM 787 O ARG A 105 -3.556 20.741 3.681 1.00 11.34 O ATOM 788 CB ARG A 105 -2.714 23.457 5.092 1.00 9.44 C ATOM 789 CG ARG A 105 -3.350 23.819 3.743 1.00 7.70 C ATOM 790 CD ARG A 105 -4.860 23.712 3.872 1.00 11.67 C ATOM 791 NE ARG A 105 -5.575 24.018 2.623 1.00 15.33 N ATOM 792 CZ ARG A 105 -5.970 23.107 1.734 1.00 12.08 C ATOM 793 NH1 ARG A 105 -5.761 21.811 1.918 1.00 5.36 N ATOM 794 NH2 ARG A 105 -6.579 23.488 0.601 1.00 7.84 N ATOM 795 N GLN A 106 -1.488 20.542 4.552 1.00 11.20 N ATOM 796 CA GLN A 106 -0.937 19.569 3.601 1.00 12.58 C ATOM 797 C GLN A 106 -1.219 18.112 4.011 1.00 13.42 C ATOM 798 O GLN A 106 -0.775 17.185 3.333 1.00 14.56 O ATOM 799 CB GLN A 106 0.545 19.795 3.495 1.00 15.88 C ATOM 800 CG GLN A 106 1.386 19.760 2.320 1.00 22.04 C ATOM 801 CD GLN A 106 0.807 20.193 1.002 1.00 25.44 C ATOM 802 OE1 GLN A 106 0.928 19.374 0.098 1.00 26.09 O ATOM 803 NE2 GLN A 106 0.194 21.389 0.992 1.00 24.30 N ATOM 804 N GLY A 107 -1.916 17.940 5.116 1.00 13.27 N ATOM 805 CA GLY A 107 -2.240 16.599 5.603 1.00 13.70 C ATOM 806 C GLY A 107 -0.992 15.871 6.071 1.00 14.53 C ATOM 807 O GLY A 107 -0.978 14.631 5.978 1.00 15.01 O ATOM 808 N LEU A 108 -0.027 16.615 6.606 1.00 14.01 N ATOM 809 CA LEU A 108 1.188 15.970 7.140 1.00 13.91 C ATOM 810 C LEU A 108 1.172 16.001 8.671 1.00 13.15 C ATOM 811 O LEU A 108 2.135 15.541 9.274 1.00 14.14 O ATOM 812 CB LEU A 108 2.418 16.544 6.467 1.00 11.34 C ATOM 813 CG LEU A 108 2.558 16.359 4.972 1.00 13.00 C ATOM 814 CD1 LEU A 108 3.699 17.181 4.399 1.00 12.49 C ATOM 815 CD2 LEU A 108 2.822 14.872 4.719 1.00 12.76 C ATOM 816 N ALA A 109 0.139 16.478 9.293 1.00 13.35 N ATOM 817 CA ALA A 109 0.015 16.515 10.749 1.00 14.01 C ATOM 818 C ALA A 109 -1.462 16.514 11.092 1.00 15.61 C ATOM 819 O ALA A 109 -2.298 16.865 10.253 1.00 15.18 O ATOM 820 CB ALA A 109 0.783 17.718 11.294 1.00 9.34 C ATOM 821 N LYS A 110 -1.764 16.073 12.316 1.00 16.57 N ATOM 822 CA LYS A 110 -3.101 16.070 12.901 1.00 17.28 C ATOM 823 C LYS A 110 -3.082 17.150 14.012 1.00 18.06 C ATOM 824 O LYS A 110 -1.991 17.423 14.565 1.00 18.43 O ATOM 825 CB LYS A 110 -3.539 14.802 13.616 1.00 25.84 C ATOM 826 CG LYS A 110 -3.486 13.494 12.865 1.00 33.29 C ATOM 827 CD LYS A 110 -4.637 12.597 13.350 1.00 43.02 C ATOM 828 CE LYS A 110 -4.606 11.262 12.626 1.00 49.79 C ATOM 829 NZ LYS A 110 -5.119 10.161 13.493 1.00 54.29 N ATOM 830 N VAL A 111 -4.234 17.712 14.297 1.00 18.94 N ATOM 831 CA VAL A 111 -4.314 18.718 15.357 1.00 21.12 C ATOM 832 C VAL A 111 -4.354 17.881 16.663 1.00 24.13 C ATOM 833 O VAL A 111 -5.164 16.979 16.778 1.00 22.72 O ATOM 834 CB VAL A 111 -5.427 19.700 15.181 1.00 18.25 C ATOM 835 CG1 VAL A 111 -5.631 20.488 16.473 1.00 16.39 C ATOM 836 CG2 VAL A 111 -5.202 20.583 13.952 1.00 13.61 C ATOM 837 N ALA A 112 -3.411 18.244 17.493 1.00 27.78 N ATOM 838 CA ALA A 112 -3.215 17.621 18.809 1.00 32.28 C ATOM 839 C ALA A 112 -4.051 18.368 19.838 1.00 35.99 C ATOM 840 O ALA A 112 -5.239 18.004 19.966 1.00 37.57 O ATOM 841 CB ALA A 112 -1.770 17.537 19.207 1.00 24.41 C ATOM 842 N TYR A 113 -3.513 19.368 20.478 1.00 39.23 N ATOM 843 CA TYR A 113 -4.200 20.118 21.535 1.00 43.04 C ATOM 844 C TYR A 113 -3.996 19.327 22.835 1.00 45.22 C ATOM 845 O TYR A 113 -4.871 18.479 23.116 1.00 45.93 O ATOM 846 CB TYR A 113 -5.706 20.353 21.301 1.00 49.74 C ATOM 847 CG TYR A 113 -6.197 21.353 22.327 1.00 63.62 C ATOM 848 CD1 TYR A 113 -6.511 21.009 23.638 1.00 71.41 C ATOM 849 CD2 TYR A 113 -6.290 22.696 21.970 1.00 70.47 C ATOM 850 CE1 TYR A 113 -6.915 21.956 24.560 1.00 78.04 C ATOM 851 CE2 TYR A 113 -6.742 23.641 22.875 1.00 76.78 C ATOM 852 CZ TYR A 113 -7.034 23.286 24.185 1.00 79.06 C ATOM 853 OH TYR A 113 -7.466 24.193 25.115 1.00 81.55 O ATOM 854 N VAL A 114 -2.965 19.649 23.581 1.00 47.31 N ATOM 855 CA VAL A 114 -2.675 18.883 24.816 1.00 49.78 C ATOM 856 C VAL A 114 -2.002 19.671 25.935 1.00 50.95 C ATOM 857 O VAL A 114 -1.164 19.141 26.730 1.00 51.70 O ATOM 858 CB VAL A 114 -1.944 17.565 24.444 1.00 53.22 C ATOM 859 CG1 VAL A 114 -2.888 16.406 24.134 1.00 54.55 C ATOM 860 CG2 VAL A 114 -0.956 17.663 23.292 1.00 56.69 C ATOM 861 N TYR A 115 -2.346 20.931 26.007 1.00 51.05 N ATOM 862 CA TYR A 115 -1.895 21.935 26.975 1.00 50.82 C ATOM 863 C TYR A 115 -3.030 22.990 26.831 1.00 50.58 C ATOM 864 O TYR A 115 -2.963 23.950 26.039 1.00 51.07 O ATOM 865 CB TYR A 115 -0.530 22.580 26.795 1.00 54.57 C ATOM 866 CG TYR A 115 0.694 21.709 26.946 1.00 59.63 C ATOM 867 CD1 TYR A 115 1.094 21.222 28.201 1.00 62.24 C ATOM 868 CD2 TYR A 115 1.458 21.342 25.829 1.00 58.55 C ATOM 869 CE1 TYR A 115 2.214 20.408 28.345 1.00 63.48 C ATOM 870 CE2 TYR A 115 2.570 20.521 25.953 1.00 60.20 C ATOM 871 CZ TYR A 115 2.952 20.064 27.209 1.00 63.64 C ATOM 872 OH TYR A 115 4.058 19.264 27.293 1.00 65.19 O ATOM 873 N LYS A 116 -4.092 22.692 27.558 1.00 49.02 N ATOM 874 CA LYS A 116 -5.295 23.511 27.519 1.00 46.47 C ATOM 875 C LYS A 116 -5.089 24.992 27.461 1.00 44.26 C ATOM 876 O LYS A 116 -5.960 25.640 26.813 1.00 45.36 O ATOM 877 CB LYS A 116 -6.286 23.103 28.600 1.00 54.45 C ATOM 878 CG LYS A 116 -7.286 22.067 28.077 1.00 65.82 C ATOM 879 CD LYS A 116 -6.668 20.720 27.709 1.00 71.60 C ATOM 880 CE LYS A 116 -7.763 19.791 27.179 1.00 76.35 C ATOM 881 NZ LYS A 116 -7.271 18.995 26.034 1.00 79.17 N ATOM 882 N THR A 117 -4.062 25.549 28.062 1.00 41.06 N ATOM 883 CA THR A 117 -3.837 27.007 28.026 1.00 37.53 C ATOM 884 C THR A 117 -3.272 27.527 26.708 1.00 33.75 C ATOM 885 O THR A 117 -3.524 28.699 26.343 1.00 33.89 O ATOM 886 CB THR A 117 -2.838 27.449 29.194 1.00 40.34 C ATOM 887 OG1 THR A 117 -2.288 26.174 29.660 1.00 47.89 O ATOM 888 CG2 THR A 117 -3.483 28.335 30.234 1.00 44.90 C ATOM 889 N ASN A 118 -2.480 26.690 26.062 1.00 29.94 N ATOM 890 CA ASN A 118 -1.826 27.052 24.774 1.00 26.01 C ATOM 891 C ASN A 118 -2.780 26.692 23.647 1.00 23.79 C ATOM 892 O ASN A 118 -2.572 25.622 23.030 1.00 24.48 O ATOM 893 CB ASN A 118 -0.493 26.266 24.736 1.00 20.05 C ATOM 894 CG ASN A 118 0.498 26.767 25.758 1.00 8.39 C ATOM 895 OD1 ASN A 118 0.504 27.977 26.014 1.00 12.66 O ATOM 896 ND2 ASN A 118 1.295 25.893 26.320 1.00 13.76 N ATOM 897 N ASN A 119 -3.770 27.512 23.399 1.00 21.52 N ATOM 898 CA ASN A 119 -4.791 27.188 22.385 1.00 20.68 C ATOM 899 C ASN A 119 -5.122 28.335 21.467 1.00 19.54 C ATOM 900 O ASN A 119 -6.136 28.251 20.723 1.00 20.47 O ATOM 901 CB ASN A 119 -6.046 26.794 23.183 1.00 33.34 C ATOM 902 CG ASN A 119 -6.736 27.766 24.073 1.00 38.65 C ATOM 903 OD1 ASN A 119 -6.399 28.958 24.223 1.00 42.25 O ATOM 904 ND2 ASN A 119 -7.799 27.274 24.757 1.00 45.13 N ATOM 905 N THR A 120 -4.356 29.376 21.576 1.00 18.54 N ATOM 906 CA THR A 120 -4.619 30.570 20.782 1.00 19.06 C ATOM 907 C THR A 120 -4.962 30.212 19.353 1.00 19.09 C ATOM 908 O THR A 120 -6.001 30.763 18.925 1.00 20.50 O ATOM 909 CB THR A 120 -3.521 31.653 20.983 1.00 21.54 C ATOM 910 OG1 THR A 120 -3.593 31.971 22.408 1.00 27.23 O ATOM 911 CG2 THR A 120 -3.723 32.912 20.139 1.00 24.32 C ATOM 912 N HIS A 121 -4.255 29.377 18.639 1.00 17.90 N ATOM 913 CA HIS A 121 -4.583 29.093 17.227 1.00 16.71 C ATOM 914 C HIS A 121 -5.289 27.790 16.952 1.00 16.01 C ATOM 915 O HIS A 121 -5.332 27.339 15.770 1.00 15.74 O ATOM 916 CB HIS A 121 -3.269 29.123 16.366 1.00 18.73 C ATOM 917 CG HIS A 121 -2.599 30.445 16.409 1.00 16.14 C ATOM 918 ND1 HIS A 121 -3.216 31.622 16.049 1.00 17.11 N ATOM 919 CD2 HIS A 121 -1.340 30.796 16.704 1.00 15.79 C ATOM 920 CE1 HIS A 121 -2.392 32.623 16.187 1.00 18.24 C ATOM 921 NE2 HIS A 121 -1.237 32.155 16.594 1.00 17.30 N ATOM 922 N GLU A 122 -5.845 27.161 17.970 1.00 15.09 N ATOM 923 CA GLU A 122 -6.522 25.877 17.777 1.00 15.96 C ATOM 924 C GLU A 122 -7.589 25.880 16.685 1.00 15.96 C ATOM 925 O GLU A 122 -7.597 24.933 15.875 1.00 16.07 O ATOM 926 CB GLU A 122 -7.142 25.328 19.052 1.00 19.84 C ATOM 927 CG GLU A 122 -7.841 23.995 18.930 1.00 28.58 C ATOM 928 CD GLU A 122 -8.859 23.603 19.954 1.00 34.00 C ATOM 929 OE1 GLU A 122 -9.280 24.568 20.630 1.00 39.68 O ATOM 930 OE2 GLU A 122 -9.197 22.441 20.130 1.00 32.32 O ATOM 931 N GLN A 123 -8.436 26.893 16.668 1.00 15.96 N ATOM 932 CA GLN A 123 -9.541 26.915 15.671 1.00 16.18 C ATOM 933 C GLN A 123 -9.049 27.007 14.236 1.00 15.49 C ATOM 934 O GLN A 123 -9.585 26.365 13.329 1.00 14.33 O ATOM 935 CB GLN A 123 -10.533 28.052 15.942 1.00 24.94 C ATOM 936 CG GLN A 123 -11.582 27.688 16.945 1.00 36.85 C ATOM 937 CD GLN A 123 -12.115 26.274 16.974 1.00 48.49 C ATOM 938 OE1 GLN A 123 -11.661 25.449 17.790 1.00 51.29 O ATOM 939 NE2 GLN A 123 -13.066 25.952 16.084 1.00 53.40 N ATOM 940 N HIS A 124 -8.089 27.911 14.116 1.00 15.52 N ATOM 941 CA HIS A 124 -7.438 28.184 12.809 1.00 14.97 C ATOM 942 C HIS A 124 -6.895 26.896 12.244 1.00 13.81 C ATOM 943 O HIS A 124 -7.115 26.479 11.083 1.00 12.93 O ATOM 944 CB HIS A 124 -6.388 29.295 12.991 1.00 20.84 C ATOM 945 CG HIS A 124 -5.594 29.547 11.750 1.00 28.15 C ATOM 946 ND1 HIS A 124 -6.136 29.628 10.502 1.00 30.42 N ATOM 947 CD2 HIS A 124 -4.239 29.666 11.609 1.00 32.19 C ATOM 948 CE1 HIS A 124 -5.152 29.806 9.631 1.00 33.48 C ATOM 949 NE2 HIS A 124 -4.000 29.841 10.273 1.00 31.64 N ATOM 950 N LEU A 125 -6.214 26.150 13.132 1.00 14.10 N ATOM 951 CA LEU A 125 -5.638 24.847 12.745 1.00 12.88 C ATOM 952 C LEU A 125 -6.693 23.807 12.434 1.00 13.61 C ATOM 953 O LEU A 125 -6.548 22.957 11.523 1.00 12.54 O ATOM 954 CB LEU A 125 -4.626 24.479 13.826 1.00 15.06 C ATOM 955 CG LEU A 125 -3.329 25.282 13.797 1.00 18.87 C ATOM 956 CD1 LEU A 125 -2.535 25.042 15.087 1.00 22.03 C ATOM 957 CD2 LEU A 125 -2.513 24.831 12.594 1.00 18.51 C ATOM 958 N ARG A 126 -7.757 23.838 13.241 1.00 13.98 N ATOM 959 CA ARG A 126 -8.864 22.879 13.031 1.00 14.23 C ATOM 960 C ARG A 126 -9.436 23.081 11.616 1.00 13.95 C ATOM 961 O ARG A 126 -9.699 22.086 10.948 1.00 13.67 O ATOM 962 CB ARG A 126 -10.021 23.102 13.978 1.00 21.50 C ATOM 963 CG ARG A 126 -9.812 22.797 15.428 1.00 27.83 C ATOM 964 CD ARG A 126 -9.658 21.339 15.686 1.00 28.91 C ATOM 965 NE ARG A 126 -9.509 21.158 17.129 1.00 40.17 N ATOM 966 CZ ARG A 126 -9.126 20.045 17.752 1.00 41.91 C ATOM 967 NH1 ARG A 126 -8.847 18.885 17.152 1.00 37.11 N ATOM 968 NH2 ARG A 126 -8.976 20.112 19.093 1.00 48.21 N ATOM 969 N LYS A 127 -9.624 24.326 11.224 1.00 14.49 N ATOM 970 CA LYS A 127 -10.178 24.577 9.851 1.00 14.85 C ATOM 971 C LYS A 127 -9.290 24.031 8.737 1.00 14.56 C ATOM 972 O LYS A 127 -9.756 23.422 7.746 1.00 14.00 O ATOM 973 CB LYS A 127 -10.502 26.057 9.674 1.00 25.73 C ATOM 974 CG LYS A 127 -11.511 26.559 10.709 1.00 33.85 C ATOM 975 CD LYS A 127 -11.865 28.037 10.573 1.00 40.59 C ATOM 976 CE LYS A 127 -13.069 28.382 11.459 1.00 43.27 C ATOM 977 NZ LYS A 127 -13.766 29.611 11.000 1.00 45.85 N ATOM 978 N SER A 128 -7.955 24.189 8.886 1.00 14.07 N ATOM 979 CA SER A 128 -7.034 23.696 7.856 1.00 13.18 C ATOM 980 C SER A 128 -7.068 22.188 7.857 1.00 12.93 C ATOM 981 O SER A 128 -6.949 21.664 6.758 1.00 14.01 O ATOM 982 CB SER A 128 -5.610 24.159 7.956 1.00 10.94 C ATOM 983 OG SER A 128 -5.570 25.585 7.960 1.00 20.49 O ATOM 984 N GLU A 129 -7.163 21.579 9.049 1.00 13.07 N ATOM 985 CA GLU A 129 -7.161 20.094 9.057 1.00 12.64 C ATOM 986 C GLU A 129 -8.380 19.508 8.333 1.00 12.99 C ATOM 987 O GLU A 129 -8.313 18.466 7.665 1.00 12.35 O ATOM 988 CB GLU A 129 -7.152 19.594 10.503 1.00 13.67 C ATOM 989 CG GLU A 129 -7.112 18.081 10.671 1.00 14.69 C ATOM 990 CD GLU A 129 -7.213 17.673 12.123 1.00 22.70 C ATOM 991 OE1 GLU A 129 -8.243 18.073 12.674 1.00 23.74 O ATOM 992 OE2 GLU A 129 -6.367 17.041 12.681 1.00 23.54 O ATOM 993 N ALA A 130 -9.499 20.169 8.500 1.00 14.07 N ATOM 994 CA ALA A 130 -10.791 19.763 7.869 1.00 14.79 C ATOM 995 C ALA A 130 -10.616 19.821 6.343 1.00 15.18 C ATOM 996 O ALA A 130 -11.047 18.884 5.642 1.00 16.26 O ATOM 997 CB ALA A 130 -11.889 20.728 8.305 1.00 12.54 C ATOM 998 N GLN A 131 -10.009 20.920 5.904 1.00 15.20 N ATOM 999 CA GLN A 131 -9.774 21.090 4.466 1.00 15.34 C ATOM 1000 C GLN A 131 -8.876 19.984 3.975 1.00 15.88 C ATOM 1001 O GLN A 131 -9.178 19.399 2.923 1.00 16.12 O ATOM 1002 CB GLN A 131 -9.300 22.452 4.019 1.00 18.47 C ATOM 1003 CG GLN A 131 -9.301 22.537 2.482 1.00 22.36 C ATOM 1004 CD GLN A 131 -10.667 22.573 1.855 1.00 25.11 C ATOM 1005 OE1 GLN A 131 -10.892 22.122 0.733 1.00 28.95 O ATOM 1006 NE2 GLN A 131 -11.623 23.162 2.562 1.00 22.02 N ATOM 1007 N ALA A 132 -7.840 19.632 4.735 1.00 15.28 N ATOM 1008 CA ALA A 132 -6.931 18.565 4.297 1.00 15.65 C ATOM 1009 C ALA A 132 -7.679 17.226 4.271 1.00 16.91 C ATOM 1010 O ALA A 132 -7.403 16.386 3.398 1.00 16.87 O ATOM 1011 CB ALA A 132 -5.657 18.535 5.147 1.00 16.46 C ATOM 1012 N LYS A 133 -8.633 17.111 5.194 1.00 16.81 N ATOM 1013 CA LYS A 133 -9.415 15.873 5.302 1.00 19.80 C ATOM 1014 C LYS A 133 -10.290 15.802 4.030 1.00 20.27 C ATOM 1015 O LYS A 133 -10.258 14.819 3.330 1.00 19.89 O ATOM 1016 CB LYS A 133 -10.336 15.787 6.504 1.00 29.04 C ATOM 1017 CG LYS A 133 -9.868 15.085 7.765 1.00 42.08 C ATOM 1018 CD LYS A 133 -10.945 15.020 8.853 1.00 46.76 C ATOM 1019 CE LYS A 133 -10.708 15.978 9.996 1.00 54.98 C ATOM 1020 NZ LYS A 133 -11.884 16.157 10.894 1.00 58.89 N ATOM 1021 N LYS A 134 -10.982 16.905 3.831 1.00 22.09 N ATOM 1022 CA LYS A 134 -11.885 17.093 2.678 1.00 23.07 C ATOM 1023 C LYS A 134 -11.168 16.789 1.379 1.00 23.70 C ATOM 1024 O LYS A 134 -11.817 16.185 0.491 1.00 24.42 O ATOM 1025 CB LYS A 134 -12.409 18.506 2.659 1.00 30.66 C ATOM 1026 CG LYS A 134 -13.780 18.838 2.127 1.00 43.89 C ATOM 1027 CD LYS A 134 -14.172 20.300 2.424 1.00 53.69 C ATOM 1028 CE LYS A 134 -14.506 20.550 3.881 1.00 59.35 C ATOM 1029 NZ LYS A 134 -14.394 21.989 4.285 1.00 60.40 N ATOM 1030 N GLU A 135 -9.909 17.129 1.231 1.00 22.84 N ATOM 1031 CA GLU A 135 -9.152 16.879 0.003 1.00 21.95 C ATOM 1032 C GLU A 135 -8.422 15.562 0.008 1.00 21.88 C ATOM 1033 O GLU A 135 -7.688 15.224 -0.941 1.00 22.38 O ATOM 1034 CB GLU A 135 -8.146 17.994 -0.297 1.00 15.91 C ATOM 1035 CG GLU A 135 -8.807 19.383 -0.319 1.00 15.25 C ATOM 1036 CD GLU A 135 -7.923 20.577 -0.502 1.00 14.27 C ATOM 1037 OE1 GLU A 135 -6.697 20.302 -0.597 1.00 18.13 O ATOM 1038 OE2 GLU A 135 -8.326 21.716 -0.551 1.00 19.52 O ATOM 1039 N LYS A 136 -8.619 14.826 1.081 1.00 21.61 N ATOM 1040 CA LYS A 136 -8.007 13.502 1.251 1.00 21.15 C ATOM 1041 C LYS A 136 -6.534 13.489 0.977 1.00 21.04 C ATOM 1042 O LYS A 136 -6.047 12.604 0.241 1.00 21.39 O ATOM 1043 CB LYS A 136 -8.718 12.537 0.272 1.00 27.50 C ATOM 1044 CG LYS A 136 -10.170 12.244 0.575 1.00 35.79 C ATOM 1045 CD LYS A 136 -10.487 10.740 0.479 1.00 51.54 C ATOM 1046 CE LYS A 136 -10.464 10.028 1.818 1.00 57.17 C ATOM 1047 NZ LYS A 136 -10.558 8.548 1.725 1.00 59.80 N ATOM 1048 N LEU A 137 -5.758 14.378 1.578 1.00 20.35 N ATOM 1049 CA LEU A 137 -4.326 14.457 1.373 1.00 20.44 C ATOM 1050 C LEU A 137 -3.467 13.647 2.333 1.00 21.67 C ATOM 1051 O LEU A 137 -3.783 13.669 3.549 1.00 21.31 O ATOM 1052 CB LEU A 137 -3.996 15.965 1.613 1.00 20.19 C ATOM 1053 CG LEU A 137 -4.494 16.993 0.646 1.00 17.25 C ATOM 1054 CD1 LEU A 137 -3.932 18.357 1.067 1.00 19.79 C ATOM 1055 CD2 LEU A 137 -3.998 16.687 -0.754 1.00 21.80 C ATOM 1056 N ASN A 138 -2.391 13.071 1.824 1.00 22.11 N ATOM 1057 CA ASN A 138 -1.422 12.303 2.661 1.00 22.97 C ATOM 1058 C ASN A 138 -2.078 11.520 3.769 1.00 24.00 C ATOM 1059 O ASN A 138 -2.861 10.582 3.516 1.00 23.52 O ATOM 1060 CB ASN A 138 -0.426 13.370 3.182 1.00 22.90 C ATOM 1061 CG ASN A 138 0.269 13.963 1.968 1.00 24.63 C ATOM 1062 OD1 ASN A 138 0.686 13.129 1.141 1.00 29.01 O ATOM 1063 ND2 ASN A 138 0.403 15.255 1.854 1.00 19.77 N ATOM 1064 N ILE A 139 -1.834 11.911 4.997 1.00 24.35 N ATOM 1065 CA ILE A 139 -2.477 11.273 6.153 1.00 27.00 C ATOM 1066 C ILE A 139 -3.925 10.975 5.855 1.00 28.53 C ATOM 1067 O ILE A 139 -4.285 9.808 6.129 1.00 30.40 O ATOM 1068 CB ILE A 139 -2.267 12.191 7.403 1.00 27.47 C ATOM 1069 CG1 ILE A 139 -0.923 11.772 8.038 1.00 22.86 C ATOM 1070 CG2 ILE A 139 -3.444 12.357 8.359 1.00 28.43 C ATOM 1071 CD1 ILE A 139 -0.593 12.683 9.279 1.00 26.77 C ATOM 1072 N TRP A 140 -4.734 11.877 5.351 1.00 29.44 N ATOM 1073 CA TRP A 140 -6.153 11.629 5.114 1.00 30.59 C ATOM 1074 C TRP A 140 -6.483 10.794 3.894 1.00 32.21 C ATOM 1075 O TRP A 140 -7.695 10.619 3.641 1.00 32.95 O ATOM 1076 CB TRP A 140 -7.028 12.889 5.174 1.00 25.11 C ATOM 1077 CG TRP A 140 -6.657 13.689 6.372 1.00 25.34 C ATOM 1078 CD1 TRP A 140 -5.952 14.844 6.360 1.00 25.26 C ATOM 1079 CD2 TRP A 140 -6.851 13.338 7.747 1.00 28.31 C ATOM 1080 NE1 TRP A 140 -5.736 15.272 7.661 1.00 30.71 N ATOM 1081 CE2 TRP A 140 -6.290 14.378 8.522 1.00 27.95 C ATOM 1082 CE3 TRP A 140 -7.444 12.257 8.385 1.00 28.77 C ATOM 1083 CZ2 TRP A 140 -6.289 14.376 9.913 1.00 32.28 C ATOM 1084 CZ3 TRP A 140 -7.443 12.258 9.771 1.00 33.80 C ATOM 1085 CH2 TRP A 140 -6.885 13.283 10.538 1.00 33.72 C ATOM 1086 N SER A 141 -5.485 10.281 3.213 1.00 33.57 N ATOM 1087 CA SER A 141 -5.645 9.448 2.022 1.00 34.96 C ATOM 1088 C SER A 141 -5.629 7.937 2.397 1.00 36.45 C ATOM 1089 O SER A 141 -6.782 7.389 2.365 1.00 38.17 O ATOM 1090 CB SER A 141 -4.630 9.705 0.957 1.00 26.99 C ATOM 1091 OG SER A 141 -3.368 9.161 1.249 1.00 40.48 O TER 1092 SER A 141 HETATM 1093 O HOH A 200 3.885 35.498 22.766 1.00 28.33 O HETATM 1094 O HOH A 201 6.513 34.927 21.689 1.00 17.83 O HETATM 1095 O HOH A 202 8.768 34.374 9.788 1.00 18.86 O HETATM 1096 O HOH A 203 5.789 37.365 10.642 1.00 46.37 O HETATM 1097 O HOH A 204 16.036 33.485 10.991 1.00 15.18 O HETATM 1098 O HOH A 205 17.378 31.197 10.219 1.00 21.33 O HETATM 1099 O HOH A 206 17.958 34.981 16.064 1.00 40.38 O HETATM 1100 O HOH A 207 19.765 34.073 18.920 1.00 31.67 O HETATM 1101 O HOH A 208 18.164 21.364 9.317 1.00 29.47 O HETATM 1102 O HOH A 209 8.579 13.775 11.118 1.00 29.04 O HETATM 1103 O HOH A 210 5.174 13.857 16.536 1.00 23.11 O HETATM 1104 O HOH A 211 -12.545 24.497 6.543 1.00 41.52 O HETATM 1105 O HOH A 212 15.609 22.786 24.762 1.00 14.30 O HETATM 1106 O HOH A 213 14.675 24.204 28.810 1.00 39.19 O HETATM 1107 O HOH A 214 15.190 17.952 23.722 1.00 31.93 O HETATM 1108 O HOH A 215 3.838 28.619 24.632 1.00 9.18 O HETATM 1109 O HOH A 216 0.601 24.547 3.307 1.00 32.79 O HETATM 1110 O HOH A 217 13.090 32.162 1.533 1.00 40.72 O HETATM 1111 O HOH A 218 10.625 31.379 2.115 1.00 42.82 O HETATM 1112 O HOH A 219 9.981 28.457 3.680 1.00 29.88 O HETATM 1113 O HOH A 220 4.515 22.373 30.510 1.00 40.91 O HETATM 1114 O HOH A 221 -1.738 31.816 31.260 1.00 35.11 O HETATM 1115 O HOH A 222 -2.540 12.944 -0.807 1.00 37.81 O HETATM 1116 O HOH A 223 -2.247 27.070 2.190 1.00 40.16 O HETATM 1117 O HOH A 224 0.407 30.813 7.786 1.00 25.95 O HETATM 1118 O HOH A 225 1.105 28.366 6.750 1.00 20.11 O HETATM 1119 O HOH A 226 -3.037 27.773 4.508 1.00 53.63 O HETATM 1120 O HOH A 227 -0.779 26.715 4.312 1.00 22.11 O HETATM 1121 O HOH A 228 16.350 29.548 7.556 1.00 24.29 O HETATM 1122 O HOH A 229 -4.099 17.578 8.415 1.00 12.15 O HETATM 1123 O HOH A 230 -8.606 28.829 18.602 1.00 30.34 O HETATM 1124 O HOH A 231 -8.063 29.937 15.964 1.00 41.42 O HETATM 1125 O HOH A 232 15.839 35.257 19.494 1.00 35.57 O HETATM 1126 O HOH A 233 5.229 14.949 22.234 1.00 29.03 O HETATM 1127 O HOH A 234 -1.529 29.879 9.080 1.00 33.93 O HETATM 1128 O HOH A 235 -7.347 26.090 0.807 1.00 37.07 O HETATM 1129 O HOH A 236 12.861 18.223 9.965 1.00 28.09 O HETATM 1130 O HOH A 237 12.625 12.335 5.838 1.00 47.67 O HETATM 1131 O HOH A 238 16.473 21.964 2.120 1.00 56.09 O HETATM 1132 O HOH A 239 15.130 19.645 25.600 1.00 29.25 O HETATM 1133 O HOH A 240 -5.760 32.471 15.925 1.00 38.21 O HETATM 1134 O HOH A 241 -10.655 19.962 12.365 1.00 44.57 O HETATM 1135 O HOH A 242 -5.715 11.338 -2.522 1.00 48.08 O HETATM 1136 O HOH A 243 1.578 37.696 17.131 1.00 50.19 O HETATM 1137 O HOH A 244 18.471 18.267 9.023 1.00 39.40 O HETATM 1138 O HOH A 245 14.158 13.297 10.759 1.00 46.30 O HETATM 1139 O HOH A 246 7.296 13.901 14.765 1.00 45.01 O HETATM 1140 O HOH A 247 9.900 33.871 28.509 1.00 44.59 O HETATM 1141 O HOH A 248 2.662 36.447 9.873 1.00 47.69 O HETATM 1142 O HOH A 249 -7.048 15.531 15.146 1.00 43.04 O HETATM 1143 O HOH A 250 11.500 34.632 26.701 1.00 54.19 O HETATM 1144 O HOH A 251 8.538 35.726 25.170 1.00 57.91 O HETATM 1145 O HOH A 252 10.809 37.131 4.792 1.00 24.54 O HETATM 1146 O HOH A 253 6.797 14.574 20.288 1.00 34.41 O HETATM 1147 O HOH A 254 8.023 16.687 1.846 1.00 42.46 O MASTER 280 0 0 3 6 10 0 6 1146 1 0 12 END