HEADER HYDROLASE(PHOSPHORIC DIESTER) 07-JAN-94 1SYC 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 1SYC 1 VERSN REVDAT 1 31-JUL-94 1SYC 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 : 1088 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 69 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA REMARK 3 BOND LENGTH (A) : 0.016 ; 0.016 REMARK 3 ANGLE DISTANCE (A) : 0.035 ; 0.035 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) : 0.015 ; 0.015 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.179 ; 0.179 REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : 0.164 ; 0.164 REMARK 3 MULTIPLE TORSION (A) : 0.158 ; 0.158 REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL REMARK 3 H-BOND (X-H...Y) (A) : 0.160 ; 0.160 REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : 2.800 ; 2.800 REMARK 3 STAGGERED (DEGREES) : 18.700; 18.700 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 1SYC 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 (%): 44.63 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 ARG A 35 NE - CZ - NH1 ANGL. DEV. = 6.4 DEGREES REMARK 500 ARG A 35 NE - CZ - NH2 ANGL. DEV. = -5.8 DEGREES REMARK 500 ASP A 83 CB - CG - OD2 ANGL. DEV. = -6.9 DEGREES REMARK 500 ARG A 105 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES REMARK 500 ARG A 105 NE - CZ - NH2 ANGL. DEV. = -4.5 DEGREES REMARK 500 ARG A 126 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES REMARK 500 ARG A 126 NE - CZ - NH2 ANGL. DEV. = -6.2 DEGREES REMARK 500 LYS A 134 CA - CB - CG ANGL. DEV. = 16.6 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 -61.82 -102.01 REMARK 500 LEU A 38 19.48 53.03 REMARK 500 LYS A 49 -29.82 92.43 REMARK 500 TYR A 54 -5.71 77.60 REMARK 500 LYS A 116 57.68 38.57 REMARK 500 ASN A 138 -104.21 37.69 REMARK 500 REMARK 500 REMARK: NULL DBREF 1SYC A 1 149 UNP P00644 NUC_STAAU 83 231 SEQADV 1SYC GLY 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 GLY 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 *69(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 -2.099 39.547 23.914 1.00 39.23 N ATOM 2 CA LYS A 6 -1.534 39.551 22.557 1.00 38.24 C ATOM 3 C LYS A 6 -0.241 38.714 22.524 1.00 36.55 C ATOM 4 O LYS A 6 0.563 38.822 23.476 1.00 36.89 O ATOM 5 CB LYS A 6 -1.204 40.992 22.143 1.00 47.84 C ATOM 6 CG LYS A 6 -2.313 41.764 21.456 1.00 59.08 C ATOM 7 CD LYS A 6 -1.799 43.070 20.828 1.00 70.03 C ATOM 8 CE LYS A 6 -2.862 44.162 20.837 1.00 76.21 C ATOM 9 NZ LYS A 6 -2.558 45.270 19.892 1.00 79.36 N ATOM 10 N LEU A 7 -0.093 37.906 21.475 1.00 34.18 N ATOM 11 CA LEU A 7 1.154 37.106 21.346 1.00 31.75 C ATOM 12 C LEU A 7 2.135 37.950 20.508 1.00 29.98 C ATOM 13 O LEU A 7 1.629 38.776 19.716 1.00 30.16 O ATOM 14 CB LEU A 7 0.884 35.760 20.733 1.00 21.53 C ATOM 15 CG LEU A 7 -0.248 34.901 21.252 1.00 21.13 C ATOM 16 CD1 LEU A 7 -0.227 33.575 20.496 1.00 15.61 C ATOM 17 CD2 LEU A 7 -0.094 34.717 22.752 1.00 17.52 C ATOM 18 N HIS A 8 3.417 37.710 20.694 1.00 27.90 N ATOM 19 CA HIS A 8 4.352 38.543 19.865 1.00 26.38 C ATOM 20 C HIS A 8 5.408 37.614 19.321 1.00 22.92 C ATOM 21 O HIS A 8 5.791 36.665 19.980 1.00 23.01 O ATOM 22 CB HIS A 8 4.710 39.875 20.487 1.00 42.78 C ATOM 23 CG HIS A 8 5.970 39.967 21.251 1.00 57.86 C ATOM 24 ND1 HIS A 8 7.188 40.276 20.661 1.00 65.23 N ATOM 25 CD2 HIS A 8 6.217 39.800 22.574 1.00 64.87 C ATOM 26 CE1 HIS A 8 8.132 40.278 21.602 1.00 68.73 C ATOM 27 NE2 HIS A 8 7.575 39.998 22.768 1.00 69.56 N ATOM 28 N LYS A 9 5.751 37.837 18.080 1.00 20.64 N ATOM 29 CA LYS A 9 6.739 37.052 17.336 1.00 18.67 C ATOM 30 C LYS A 9 8.130 37.537 17.708 1.00 18.43 C ATOM 31 O LYS A 9 8.344 38.776 17.801 1.00 19.52 O ATOM 32 CB LYS A 9 6.497 37.246 15.842 1.00 15.44 C ATOM 33 CG LYS A 9 5.178 36.598 15.358 1.00 19.30 C ATOM 34 CD LYS A 9 5.079 36.770 13.829 1.00 20.81 C ATOM 35 CE LYS A 9 3.786 36.245 13.259 1.00 26.41 C ATOM 36 NZ LYS A 9 2.669 36.965 13.931 1.00 34.11 N ATOM 37 N GLU A 10 9.059 36.647 17.927 1.00 16.38 N ATOM 38 CA GLU A 10 10.432 36.988 18.304 1.00 14.80 C ATOM 39 C GLU A 10 11.356 36.325 17.295 1.00 14.25 C ATOM 40 O GLU A 10 11.039 35.224 16.819 1.00 13.45 O ATOM 41 CB GLU A 10 10.711 36.398 19.693 1.00 14.27 C ATOM 42 CG GLU A 10 9.787 36.998 20.788 1.00 22.65 C ATOM 43 CD GLU A 10 9.948 36.370 22.141 1.00 27.38 C ATOM 44 OE1 GLU A 10 10.944 36.702 22.798 1.00 21.66 O ATOM 45 OE2 GLU A 10 9.169 35.550 22.594 1.00 27.33 O ATOM 46 N PRO A 11 12.455 36.996 16.991 1.00 13.42 N ATOM 47 CA PRO A 11 13.403 36.449 16.024 1.00 13.31 C ATOM 48 C PRO A 11 14.093 35.240 16.622 1.00 12.25 C ATOM 49 O PRO A 11 14.248 35.142 17.843 1.00 12.49 O ATOM 50 CB PRO A 11 14.406 37.600 15.812 1.00 14.79 C ATOM 51 CG PRO A 11 14.259 38.485 17.026 1.00 14.95 C ATOM 52 CD PRO A 11 12.828 38.325 17.499 1.00 14.01 C ATOM 53 N ALA A 12 14.540 34.344 15.801 1.00 10.88 N ATOM 54 CA ALA A 12 15.306 33.157 16.184 1.00 11.34 C ATOM 55 C ALA A 12 16.151 32.791 14.942 1.00 11.33 C ATOM 56 O ALA A 12 15.884 33.348 13.846 1.00 12.18 O ATOM 57 CB ALA A 12 14.444 32.016 16.666 1.00 13.97 C ATOM 58 N THR A 13 17.125 31.948 15.171 1.00 10.70 N ATOM 59 CA THR A 13 17.944 31.534 14.011 1.00 11.82 C ATOM 60 C THR A 13 17.928 30.013 14.008 1.00 11.81 C ATOM 61 O THR A 13 18.042 29.449 15.115 1.00 12.91 O ATOM 62 CB THR A 13 19.418 32.066 14.121 1.00 16.14 C ATOM 63 OG1 THR A 13 19.283 33.489 14.440 1.00 17.94 O ATOM 64 CG2 THR A 13 20.212 31.826 12.827 1.00 18.59 C ATOM 65 N LEU A 14 17.804 29.457 12.812 1.00 11.73 N ATOM 66 CA LEU A 14 17.806 27.995 12.747 1.00 12.46 C ATOM 67 C LEU A 14 19.188 27.447 13.105 1.00 13.79 C ATOM 68 O LEU A 14 20.214 27.945 12.593 1.00 14.30 O ATOM 69 CB LEU A 14 17.419 27.548 11.342 1.00 13.49 C ATOM 70 CG LEU A 14 17.496 26.027 11.138 1.00 14.87 C ATOM 71 CD1 LEU A 14 16.427 25.268 11.923 1.00 18.11 C ATOM 72 CD2 LEU A 14 17.348 25.724 9.645 1.00 14.00 C ATOM 73 N ILE A 15 19.188 26.433 13.923 1.00 13.67 N ATOM 74 CA ILE A 15 20.375 25.693 14.257 1.00 14.16 C ATOM 75 C ILE A 15 20.200 24.433 13.377 1.00 15.57 C ATOM 76 O ILE A 15 20.994 24.236 12.445 1.00 16.08 O ATOM 77 CB ILE A 15 20.602 25.390 15.740 1.00 16.75 C ATOM 78 CG1 ILE A 15 20.835 26.682 16.572 1.00 13.94 C ATOM 79 CG2 ILE A 15 21.760 24.359 15.932 1.00 18.37 C ATOM 80 CD1 ILE A 15 20.851 26.324 18.101 1.00 17.03 C ATOM 81 N LYS A 16 19.138 23.694 13.631 1.00 15.00 N ATOM 82 CA LYS A 16 18.891 22.449 12.854 1.00 15.47 C ATOM 83 C LYS A 16 17.471 21.904 12.985 1.00 15.39 C ATOM 84 O LYS A 16 16.910 21.856 14.090 1.00 14.97 O ATOM 85 CB LYS A 16 19.794 21.435 13.522 1.00 19.46 C ATOM 86 CG LYS A 16 19.658 19.982 13.268 1.00 28.12 C ATOM 87 CD LYS A 16 20.365 19.270 14.446 1.00 39.47 C ATOM 88 CE LYS A 16 20.608 17.814 14.054 1.00 46.90 C ATOM 89 NZ LYS A 16 21.801 17.319 14.805 1.00 56.52 N ATOM 90 N ALA A 17 16.976 21.414 11.875 1.00 15.09 N ATOM 91 CA ALA A 17 15.617 20.830 11.862 1.00 15.17 C ATOM 92 C ALA A 17 15.804 19.400 12.336 1.00 16.27 C ATOM 93 O ALA A 17 16.724 18.732 11.821 1.00 18.09 O ATOM 94 CB ALA A 17 15.019 21.041 10.504 1.00 20.58 C ATOM 95 N ILE A 18 15.062 18.928 13.292 1.00 15.49 N ATOM 96 CA ILE A 18 15.188 17.601 13.855 1.00 16.43 C ATOM 97 C ILE A 18 14.217 16.562 13.340 1.00 18.16 C ATOM 98 O ILE A 18 14.591 15.391 13.123 1.00 20.21 O ATOM 99 CB ILE A 18 15.116 17.729 15.433 1.00 18.76 C ATOM 100 CG1 ILE A 18 16.397 18.432 15.937 1.00 20.32 C ATOM 101 CG2 ILE A 18 14.887 16.382 16.137 1.00 17.89 C ATOM 102 CD1 ILE A 18 16.170 19.203 17.258 1.00 28.40 C ATOM 103 N ASP A 19 12.967 16.901 13.233 1.00 16.30 N ATOM 104 CA ASP A 19 11.848 16.047 12.881 1.00 15.30 C ATOM 105 C ASP A 19 10.737 16.928 12.324 1.00 14.57 C ATOM 106 O ASP A 19 10.919 18.169 12.290 1.00 14.69 O ATOM 107 CB ASP A 19 11.431 15.440 14.265 1.00 20.15 C ATOM 108 CG ASP A 19 10.911 14.055 14.122 1.00 29.00 C ATOM 109 OD1 ASP A 19 10.774 13.590 12.950 1.00 33.56 O ATOM 110 OD2 ASP A 19 10.598 13.409 15.126 1.00 33.75 O ATOM 111 N GLY A 20 9.614 16.351 11.962 1.00 13.12 N ATOM 112 CA GLY A 20 8.518 17.188 11.438 1.00 12.38 C ATOM 113 C GLY A 20 8.047 18.211 12.487 1.00 11.13 C ATOM 114 O GLY A 20 7.653 19.323 12.126 1.00 11.19 O ATOM 115 N ASP A 21 8.111 17.818 13.744 1.00 10.12 N ATOM 116 CA ASP A 21 7.576 18.567 14.863 1.00 10.85 C ATOM 117 C ASP A 21 8.566 19.274 15.784 1.00 9.58 C ATOM 118 O ASP A 21 8.099 19.949 16.726 1.00 9.02 O ATOM 119 CB ASP A 21 6.682 17.565 15.696 1.00 11.84 C ATOM 120 CG ASP A 21 7.416 16.588 16.559 1.00 22.05 C ATOM 121 OD1 ASP A 21 8.673 16.497 16.494 1.00 27.88 O ATOM 122 OD2 ASP A 21 6.816 15.834 17.392 1.00 29.73 O ATOM 123 N THR A 22 9.831 19.090 15.542 1.00 8.14 N ATOM 124 CA THR A 22 10.831 19.659 16.458 1.00 8.35 C ATOM 125 C THR A 22 12.002 20.266 15.707 1.00 9.20 C ATOM 126 O THR A 22 12.516 19.640 14.767 1.00 9.20 O ATOM 127 CB THR A 22 11.336 18.431 17.337 1.00 14.65 C ATOM 128 OG1 THR A 22 10.218 17.984 18.140 1.00 12.81 O ATOM 129 CG2 THR A 22 12.490 18.845 18.245 1.00 14.06 C ATOM 130 N VAL A 23 12.388 21.451 16.141 1.00 9.17 N ATOM 131 CA VAL A 23 13.478 22.210 15.540 1.00 10.03 C ATOM 132 C VAL A 23 14.330 22.790 16.669 1.00 11.22 C ATOM 133 O VAL A 23 13.819 23.128 17.765 1.00 12.30 O ATOM 134 CB VAL A 23 12.950 23.276 14.544 1.00 12.00 C ATOM 135 CG1 VAL A 23 12.126 22.697 13.403 1.00 12.89 C ATOM 136 CG2 VAL A 23 12.103 24.322 15.246 1.00 13.29 C ATOM 137 N LYS A 24 15.618 22.882 16.376 1.00 10.75 N ATOM 138 CA LYS A 24 16.552 23.492 17.385 1.00 9.90 C ATOM 139 C LYS A 24 16.842 24.874 16.823 1.00 9.30 C ATOM 140 O LYS A 24 17.241 24.971 15.625 1.00 9.64 O ATOM 141 CB LYS A 24 17.789 22.605 17.460 1.00 21.36 C ATOM 142 CG LYS A 24 18.534 22.720 18.815 1.00 30.63 C ATOM 143 CD LYS A 24 19.622 21.651 18.888 1.00 36.88 C ATOM 144 CE LYS A 24 19.417 20.596 19.944 1.00 41.12 C ATOM 145 NZ LYS A 24 19.488 19.243 19.319 1.00 47.10 N ATOM 146 N LEU A 25 16.652 25.886 17.614 1.00 8.26 N ATOM 147 CA LEU A 25 16.833 27.287 17.216 1.00 10.39 C ATOM 148 C LEU A 25 17.737 28.016 18.236 1.00 11.36 C ATOM 149 O LEU A 25 17.854 27.514 19.358 1.00 11.89 O ATOM 150 CB LEU A 25 15.435 27.974 17.203 1.00 9.06 C ATOM 151 CG LEU A 25 14.344 27.410 16.325 1.00 12.31 C ATOM 152 CD1 LEU A 25 13.008 28.144 16.541 1.00 11.78 C ATOM 153 CD2 LEU A 25 14.723 27.467 14.836 1.00 9.10 C ATOM 154 N MET A 26 18.318 29.108 17.781 1.00 12.30 N ATOM 155 CA MET A 26 19.116 29.953 18.705 1.00 13.51 C ATOM 156 C MET A 26 18.015 30.982 19.069 1.00 13.91 C ATOM 157 O MET A 26 17.466 31.617 18.146 1.00 14.03 O ATOM 158 CB MET A 26 20.321 30.529 18.020 1.00 18.22 C ATOM 159 CG MET A 26 21.256 31.252 18.979 1.00 29.84 C ATOM 160 SD MET A 26 22.126 29.984 19.979 1.00 32.38 S ATOM 161 CE MET A 26 23.139 29.225 18.735 1.00 40.19 C ATOM 162 N TYR A 27 17.680 31.006 20.330 1.00 14.82 N ATOM 163 CA TYR A 27 16.610 31.902 20.826 1.00 16.47 C ATOM 164 C TYR A 27 17.210 32.709 21.997 1.00 18.19 C ATOM 165 O TYR A 27 17.725 32.123 22.968 1.00 17.66 O ATOM 166 CB TYR A 27 15.367 31.091 21.268 1.00 12.85 C ATOM 167 CG TYR A 27 14.278 31.946 21.894 1.00 11.47 C ATOM 168 CD1 TYR A 27 13.559 32.894 21.172 1.00 10.98 C ATOM 169 CD2 TYR A 27 14.046 31.872 23.269 1.00 15.55 C ATOM 170 CE1 TYR A 27 12.601 33.698 21.763 1.00 14.54 C ATOM 171 CE2 TYR A 27 13.118 32.705 23.884 1.00 13.87 C ATOM 172 CZ TYR A 27 12.397 33.612 23.137 1.00 17.28 C ATOM 173 OH TYR A 27 11.484 34.390 23.776 1.00 17.52 O ATOM 174 N LYS A 28 17.138 34.010 21.792 1.00 20.19 N ATOM 175 CA LYS A 28 17.666 34.985 22.758 1.00 22.58 C ATOM 176 C LYS A 28 19.043 34.585 23.255 1.00 24.27 C ATOM 177 O LYS A 28 19.328 34.452 24.469 1.00 25.52 O ATOM 178 CB LYS A 28 16.707 35.083 23.936 1.00 24.50 C ATOM 179 CG LYS A 28 15.623 36.113 23.588 1.00 29.22 C ATOM 180 CD LYS A 28 14.548 35.951 24.673 1.00 43.97 C ATOM 181 CE LYS A 28 13.405 36.909 24.463 1.00 54.81 C ATOM 182 NZ LYS A 28 12.138 36.467 25.125 1.00 60.10 N ATOM 183 N GLY A 29 19.936 34.362 22.296 1.00 24.60 N ATOM 184 CA GLY A 29 21.299 33.996 22.625 1.00 25.36 C ATOM 185 C GLY A 29 21.529 32.552 22.920 1.00 25.33 C ATOM 186 O GLY A 29 22.771 32.286 22.950 1.00 27.29 O ATOM 187 N GLN A 30 20.590 31.655 23.118 1.00 23.88 N ATOM 188 CA GLN A 30 21.054 30.261 23.339 1.00 22.81 C ATOM 189 C GLN A 30 20.255 29.259 22.534 1.00 21.42 C ATOM 190 O GLN A 30 19.124 29.555 22.157 1.00 20.89 O ATOM 191 CB GLN A 30 21.111 29.906 24.784 1.00 36.92 C ATOM 192 CG GLN A 30 19.789 30.144 25.502 1.00 54.75 C ATOM 193 CD GLN A 30 20.133 30.161 26.997 1.00 69.26 C ATOM 194 OE1 GLN A 30 20.175 29.123 27.658 1.00 74.28 O ATOM 195 NE2 GLN A 30 20.438 31.384 27.436 1.00 74.15 N ATOM 196 N PRO A 31 20.878 28.121 22.342 1.00 20.46 N ATOM 197 CA PRO A 31 20.291 27.013 21.585 1.00 19.57 C ATOM 198 C PRO A 31 19.152 26.429 22.418 1.00 18.36 C ATOM 199 O PRO A 31 19.353 26.231 23.628 1.00 19.16 O ATOM 200 CB PRO A 31 21.402 25.965 21.445 1.00 20.35 C ATOM 201 CG PRO A 31 22.663 26.753 21.722 1.00 21.13 C ATOM 202 CD PRO A 31 22.244 27.771 22.785 1.00 20.51 C ATOM 203 N MET A 32 18.057 26.117 21.760 1.00 15.45 N ATOM 204 CA MET A 32 16.879 25.561 22.436 1.00 13.06 C ATOM 205 C MET A 32 16.110 24.705 21.420 1.00 11.18 C ATOM 206 O MET A 32 16.117 25.033 20.226 1.00 12.15 O ATOM 207 CB MET A 32 16.039 26.757 22.850 1.00 16.71 C ATOM 208 CG MET A 32 14.866 26.314 23.674 1.00 34.86 C ATOM 209 SD MET A 32 14.298 27.918 24.384 1.00 43.85 S ATOM 210 CE MET A 32 12.547 27.519 24.495 1.00 41.70 C ATOM 211 N THR A 33 15.527 23.669 21.931 1.00 9.18 N ATOM 212 CA THR A 33 14.729 22.760 21.088 1.00 9.33 C ATOM 213 C THR A 33 13.264 23.214 21.233 1.00 9.60 C ATOM 214 O THR A 33 12.816 23.478 22.377 1.00 9.58 O ATOM 215 CB THR A 33 14.870 21.264 21.546 1.00 15.23 C ATOM 216 OG1 THR A 33 16.289 20.940 21.325 1.00 21.30 O ATOM 217 CG2 THR A 33 13.915 20.355 20.783 1.00 9.85 C ATOM 218 N PHE A 34 12.620 23.318 20.080 1.00 7.53 N ATOM 219 CA PHE A 34 11.223 23.781 20.134 1.00 6.59 C ATOM 220 C PHE A 34 10.404 22.635 19.571 1.00 6.42 C ATOM 221 O PHE A 34 10.817 21.985 18.616 1.00 6.70 O ATOM 222 CB PHE A 34 11.012 25.047 19.312 1.00 5.01 C ATOM 223 CG PHE A 34 11.434 26.313 19.965 1.00 8.81 C ATOM 224 CD1 PHE A 34 12.793 26.701 19.955 1.00 7.10 C ATOM 225 CD2 PHE A 34 10.491 27.133 20.579 1.00 6.23 C ATOM 226 CE1 PHE A 34 13.190 27.877 20.569 1.00 14.03 C ATOM 227 CE2 PHE A 34 10.898 28.317 21.202 1.00 7.16 C ATOM 228 CZ PHE A 34 12.262 28.685 21.205 1.00 9.04 C ATOM 229 N ARG A 35 9.284 22.479 20.212 1.00 5.97 N ATOM 230 CA ARG A 35 8.275 21.484 19.759 1.00 6.46 C ATOM 231 C ARG A 35 7.133 22.361 19.199 1.00 5.95 C ATOM 232 O ARG A 35 6.675 23.225 19.966 1.00 5.38 O ATOM 233 CB ARG A 35 7.758 20.693 20.959 1.00 10.44 C ATOM 234 CG ARG A 35 6.534 19.839 20.766 1.00 7.75 C ATOM 235 CD ARG A 35 6.833 18.710 19.841 1.00 14.35 C ATOM 236 NE ARG A 35 5.759 17.744 19.768 1.00 13.50 N ATOM 237 CZ ARG A 35 4.643 17.873 19.017 1.00 15.63 C ATOM 238 NH1 ARG A 35 4.316 18.903 18.263 1.00 10.68 N ATOM 239 NH2 ARG A 35 3.813 16.806 19.058 1.00 15.03 N ATOM 240 N LEU A 36 6.734 22.102 17.990 1.00 5.56 N ATOM 241 CA LEU A 36 5.621 22.940 17.424 1.00 5.55 C ATOM 242 C LEU A 36 4.325 22.736 18.187 1.00 5.48 C ATOM 243 O LEU A 36 3.892 21.592 18.289 1.00 6.70 O ATOM 244 CB LEU A 36 5.546 22.538 15.935 1.00 6.62 C ATOM 245 CG LEU A 36 6.416 23.305 14.933 1.00 11.39 C ATOM 246 CD1 LEU A 36 7.880 23.305 15.293 1.00 16.96 C ATOM 247 CD2 LEU A 36 6.252 22.532 13.586 1.00 13.14 C ATOM 248 N LEU A 37 3.675 23.838 18.575 1.00 5.65 N ATOM 249 CA LEU A 37 2.418 23.706 19.292 1.00 6.29 C ATOM 250 C LEU A 37 1.333 23.139 18.360 1.00 6.92 C ATOM 251 O LEU A 37 1.330 23.402 17.150 1.00 6.60 O ATOM 252 CB LEU A 37 1.936 25.112 19.748 1.00 5.44 C ATOM 253 CG LEU A 37 2.403 25.591 21.109 1.00 9.84 C ATOM 254 CD1 LEU A 37 1.999 27.049 21.338 1.00 8.80 C ATOM 255 CD2 LEU A 37 1.828 24.659 22.192 1.00 7.96 C ATOM 256 N LEU A 38 0.386 22.482 18.992 1.00 7.92 N ATOM 257 CA LEU A 38 -0.848 21.966 18.395 1.00 8.39 C ATOM 258 C LEU A 38 -0.702 21.103 17.192 1.00 9.89 C ATOM 259 O LEU A 38 -1.738 20.948 16.475 1.00 12.23 O ATOM 260 CB LEU A 38 -1.747 23.232 18.149 1.00 11.76 C ATOM 261 CG LEU A 38 -2.351 23.874 19.408 1.00 12.19 C ATOM 262 CD1 LEU A 38 -2.966 25.244 19.155 1.00 13.68 C ATOM 263 CD2 LEU A 38 -3.458 22.941 19.908 1.00 13.66 C ATOM 264 N VAL A 39 0.444 20.510 16.911 1.00 9.88 N ATOM 265 CA VAL A 39 0.520 19.624 15.749 1.00 11.84 C ATOM 266 C VAL A 39 1.164 18.314 16.195 1.00 13.06 C ATOM 267 O VAL A 39 2.066 18.343 17.044 1.00 14.41 O ATOM 268 CB VAL A 39 1.246 20.222 14.548 1.00 10.23 C ATOM 269 CG1 VAL A 39 0.622 21.532 14.122 1.00 13.54 C ATOM 270 CG2 VAL A 39 2.744 20.387 14.800 1.00 10.98 C ATOM 271 N ASP A 40 0.706 17.287 15.597 1.00 14.16 N ATOM 272 CA ASP A 40 1.257 15.927 15.810 1.00 15.87 C ATOM 273 C ASP A 40 1.634 15.434 14.396 1.00 16.30 C ATOM 274 O ASP A 40 0.711 15.288 13.565 1.00 16.21 O ATOM 275 CB ASP A 40 0.321 14.987 16.530 1.00 26.05 C ATOM 276 CG ASP A 40 0.111 15.167 18.021 1.00 35.70 C ATOM 277 OD1 ASP A 40 0.931 15.777 18.747 1.00 34.44 O ATOM 278 OD2 ASP A 40 -0.950 14.631 18.481 1.00 35.24 O ATOM 279 N THR A 41 2.886 15.233 14.186 1.00 17.10 N ATOM 280 CA THR A 41 3.342 14.715 12.889 1.00 20.04 C ATOM 281 C THR A 41 3.741 13.246 13.103 1.00 22.34 C ATOM 282 O THR A 41 4.139 12.919 14.222 1.00 22.36 O ATOM 283 CB THR A 41 4.613 15.490 12.422 1.00 19.87 C ATOM 284 OG1 THR A 41 5.519 15.408 13.571 1.00 21.83 O ATOM 285 CG2 THR A 41 4.380 16.918 11.972 1.00 22.66 C ATOM 286 N PRO A 42 3.655 12.490 12.031 1.00 24.16 N ATOM 287 CA PRO A 42 4.107 11.082 12.075 1.00 26.46 C ATOM 288 C PRO A 42 5.610 11.186 12.386 1.00 29.31 C ATOM 289 O PRO A 42 6.300 12.060 11.819 1.00 29.04 O ATOM 290 CB PRO A 42 3.825 10.558 10.686 1.00 25.65 C ATOM 291 CG PRO A 42 3.520 11.731 9.803 1.00 24.78 C ATOM 292 CD PRO A 42 3.209 12.904 10.693 1.00 24.21 C ATOM 293 N GLU A 43 6.076 10.370 13.281 1.00 32.86 N ATOM 294 CA GLU A 43 7.467 10.373 13.729 1.00 37.93 C ATOM 295 C GLU A 43 8.284 9.476 12.803 1.00 40.95 C ATOM 296 O GLU A 43 7.744 8.566 12.174 1.00 40.89 O ATOM 297 CB GLU A 43 7.674 9.894 15.157 1.00 49.86 C ATOM 298 CG GLU A 43 6.798 10.250 16.330 1.00 58.15 C ATOM 299 CD GLU A 43 7.264 11.102 17.464 1.00 61.33 C ATOM 300 OE1 GLU A 43 8.400 11.169 17.924 1.00 63.56 O ATOM 301 OE2 GLU A 43 6.340 11.782 17.991 1.00 61.75 O ATOM 302 N THR A 44 9.557 9.788 12.751 1.00 44.23 N ATOM 303 CA THR A 44 10.566 9.064 11.996 1.00 48.89 C ATOM 304 C THR A 44 11.610 8.495 12.999 1.00 52.71 C ATOM 305 O THR A 44 12.735 8.116 12.556 1.00 53.68 O ATOM 306 CB THR A 44 11.447 10.035 11.094 1.00 43.60 C ATOM 307 OG1 THR A 44 11.818 11.077 12.062 1.00 40.82 O ATOM 308 CG2 THR A 44 10.929 10.517 9.781 1.00 43.13 C ATOM 309 N LYS A 45 11.268 8.487 14.281 1.00 55.56 N ATOM 310 CA LYS A 45 12.262 8.077 15.257 1.00 59.06 C ATOM 311 C LYS A 45 12.059 7.049 16.309 1.00 61.55 C ATOM 312 O LYS A 45 13.038 6.252 16.511 1.00 62.81 O ATOM 313 CB LYS A 45 12.653 9.393 16.020 1.00 60.53 C ATOM 314 CG LYS A 45 14.086 9.343 16.542 1.00 64.95 C ATOM 315 CD LYS A 45 15.002 10.237 15.737 1.00 70.11 C ATOM 316 CE LYS A 45 14.882 11.706 16.103 1.00 71.07 C ATOM 317 NZ LYS A 45 13.659 12.308 15.496 1.00 73.15 N ATOM 318 N HIS A 46 10.955 7.076 17.038 1.00 63.15 N ATOM 319 CA HIS A 46 10.821 6.156 18.179 1.00 65.08 C ATOM 320 C HIS A 46 11.014 4.703 17.831 1.00 66.01 C ATOM 321 O HIS A 46 10.443 4.190 16.860 1.00 65.95 O ATOM 322 CB HIS A 46 9.636 6.376 19.125 1.00 74.10 C ATOM 323 CG HIS A 46 9.893 6.899 20.503 1.00 81.61 C ATOM 324 ND1 HIS A 46 9.821 8.230 20.879 1.00 83.41 N ATOM 325 CD2 HIS A 46 10.168 6.220 21.659 1.00 83.26 C ATOM 326 CE1 HIS A 46 10.067 8.334 22.180 1.00 82.77 C ATOM 327 NE2 HIS A 46 10.297 7.142 22.668 1.00 83.83 N ATOM 328 N PRO A 47 11.764 4.033 18.718 1.00 66.61 N ATOM 329 CA PRO A 47 12.030 2.589 18.652 1.00 66.74 C ATOM 330 C PRO A 47 10.720 1.794 18.802 1.00 66.58 C ATOM 331 O PRO A 47 10.688 0.552 18.759 1.00 66.82 O ATOM 332 CB PRO A 47 12.972 2.327 19.839 1.00 66.87 C ATOM 333 CG PRO A 47 12.563 3.414 20.835 1.00 66.69 C ATOM 334 CD PRO A 47 12.452 4.608 19.891 1.00 66.73 C ATOM 335 N LYS A 48 9.636 2.518 19.019 1.00 65.82 N ATOM 336 CA LYS A 48 8.275 2.071 19.097 1.00 64.72 C ATOM 337 C LYS A 48 7.571 2.740 17.878 1.00 64.06 C ATOM 338 O LYS A 48 7.377 3.944 17.737 1.00 63.88 O ATOM 339 CB LYS A 48 7.483 2.363 20.329 1.00 65.94 C ATOM 340 CG LYS A 48 7.528 3.813 20.808 1.00 68.66 C ATOM 341 CD LYS A 48 6.829 3.929 22.153 1.00 71.81 C ATOM 342 CE LYS A 48 5.434 4.507 22.082 1.00 72.18 C ATOM 343 NZ LYS A 48 5.122 5.171 23.392 1.00 72.77 N ATOM 344 N LYS A 49 7.256 1.834 16.984 1.00 63.27 N ATOM 345 CA LYS A 49 6.611 2.020 15.697 1.00 61.73 C ATOM 346 C LYS A 49 7.682 2.192 14.604 1.00 59.74 C ATOM 347 O LYS A 49 7.509 1.809 13.426 1.00 59.67 O ATOM 348 CB LYS A 49 5.554 3.092 15.665 1.00 67.88 C ATOM 349 CG LYS A 49 4.455 2.950 16.734 1.00 73.28 C ATOM 350 CD LYS A 49 4.264 4.328 17.385 1.00 82.03 C ATOM 351 CE LYS A 49 3.313 4.300 18.556 1.00 88.38 C ATOM 352 NZ LYS A 49 1.980 3.755 18.178 1.00 91.39 N ATOM 353 N GLY A 50 8.801 2.744 15.032 1.00 57.70 N ATOM 354 CA GLY A 50 9.929 2.976 14.113 1.00 55.75 C ATOM 355 C GLY A 50 9.714 4.297 13.356 1.00 54.12 C ATOM 356 O GLY A 50 9.873 5.411 13.896 1.00 54.20 O ATOM 357 N VAL A 51 9.378 4.112 12.086 1.00 51.80 N ATOM 358 CA VAL A 51 9.182 5.250 11.173 1.00 48.74 C ATOM 359 C VAL A 51 7.810 5.085 10.530 1.00 46.09 C ATOM 360 O VAL A 51 7.599 4.293 9.610 1.00 46.13 O ATOM 361 CB VAL A 51 10.355 5.397 10.203 1.00 53.01 C ATOM 362 CG1 VAL A 51 10.159 6.357 9.035 1.00 52.15 C ATOM 363 CG2 VAL A 51 11.641 5.765 10.948 1.00 54.93 C ATOM 364 N GLU A 52 6.943 5.895 11.082 1.00 43.14 N ATOM 365 CA GLU A 52 5.536 5.965 10.672 1.00 39.85 C ATOM 366 C GLU A 52 5.452 6.570 9.283 1.00 37.43 C ATOM 367 O GLU A 52 6.302 7.358 8.851 1.00 37.09 O ATOM 368 CB GLU A 52 4.786 6.826 11.664 1.00 43.62 C ATOM 369 CG GLU A 52 5.215 6.723 13.135 1.00 48.34 C ATOM 370 CD GLU A 52 4.341 7.451 14.106 1.00 50.82 C ATOM 371 OE1 GLU A 52 3.273 7.021 14.515 1.00 57.84 O ATOM 372 OE2 GLU A 52 4.811 8.553 14.430 1.00 51.30 O ATOM 373 N LYS A 53 4.416 6.166 8.591 1.00 35.34 N ATOM 374 CA LYS A 53 4.131 6.609 7.212 1.00 32.99 C ATOM 375 C LYS A 53 3.938 8.125 7.270 1.00 30.07 C ATOM 376 O LYS A 53 3.273 8.601 8.186 1.00 29.83 O ATOM 377 CB LYS A 53 2.907 5.914 6.656 1.00 39.06 C ATOM 378 CG LYS A 53 2.796 6.018 5.119 1.00 47.67 C ATOM 379 CD LYS A 53 1.548 5.288 4.669 1.00 55.03 C ATOM 380 CE LYS A 53 0.851 5.866 3.467 1.00 63.42 C ATOM 381 NZ LYS A 53 -0.557 5.329 3.371 1.00 68.24 N ATOM 382 N TYR A 54 4.514 8.818 6.324 1.00 27.64 N ATOM 383 CA TYR A 54 4.520 10.276 6.225 1.00 24.27 C ATOM 384 C TYR A 54 5.515 10.934 7.174 1.00 22.29 C ATOM 385 O TYR A 54 5.737 12.151 7.099 1.00 20.67 O ATOM 386 CB TYR A 54 3.096 10.842 6.335 1.00 20.40 C ATOM 387 CG TYR A 54 2.224 10.348 5.185 1.00 21.87 C ATOM 388 CD1 TYR A 54 2.528 10.763 3.890 1.00 28.91 C ATOM 389 CD2 TYR A 54 1.126 9.542 5.370 1.00 25.90 C ATOM 390 CE1 TYR A 54 1.749 10.383 2.798 1.00 30.01 C ATOM 391 CE2 TYR A 54 0.339 9.148 4.298 1.00 30.43 C ATOM 392 CZ TYR A 54 0.664 9.550 3.016 1.00 31.61 C ATOM 393 OH TYR A 54 -0.095 9.153 1.951 1.00 35.47 O ATOM 394 N GLY A 55 6.140 10.146 8.022 1.00 20.45 N ATOM 395 CA GLY A 55 7.180 10.650 8.948 1.00 18.88 C ATOM 396 C GLY A 55 8.238 11.361 8.153 1.00 18.46 C ATOM 397 O GLY A 55 8.514 12.567 8.382 1.00 18.58 O ATOM 398 N PRO A 56 8.866 10.688 7.198 1.00 18.35 N ATOM 399 CA PRO A 56 9.907 11.264 6.357 1.00 18.00 C ATOM 400 C PRO A 56 9.388 12.464 5.580 1.00 17.56 C ATOM 401 O PRO A 56 10.168 13.443 5.459 1.00 18.13 O ATOM 402 CB PRO A 56 10.416 10.154 5.459 1.00 18.39 C ATOM 403 CG PRO A 56 10.011 8.934 6.235 1.00 18.81 C ATOM 404 CD PRO A 56 8.640 9.275 6.852 1.00 18.48 C ATOM 405 N GLU A 57 8.175 12.436 5.095 1.00 16.18 N ATOM 406 CA GLU A 57 7.671 13.598 4.321 1.00 15.31 C ATOM 407 C GLU A 57 7.494 14.841 5.191 1.00 14.35 C ATOM 408 O GLU A 57 7.878 15.972 4.800 1.00 14.33 O ATOM 409 CB GLU A 57 6.409 13.270 3.568 1.00 16.94 C ATOM 410 CG GLU A 57 6.587 12.322 2.381 1.00 21.66 C ATOM 411 CD GLU A 57 6.685 10.872 2.748 1.00 27.58 C ATOM 412 OE1 GLU A 57 6.692 10.420 3.878 1.00 25.05 O ATOM 413 OE2 GLU A 57 6.760 10.156 1.714 1.00 32.83 O ATOM 414 N ALA A 58 6.954 14.613 6.386 1.00 13.67 N ATOM 415 CA ALA A 58 6.704 15.732 7.351 1.00 13.05 C ATOM 416 C ALA A 58 8.019 16.351 7.749 1.00 12.87 C ATOM 417 O ALA A 58 8.230 17.576 7.800 1.00 13.80 O ATOM 418 CB ALA A 58 5.843 15.224 8.489 1.00 9.94 C ATOM 419 N SER A 59 8.991 15.446 7.981 1.00 13.43 N ATOM 420 CA SER A 59 10.344 15.873 8.337 1.00 12.81 C ATOM 421 C SER A 59 10.948 16.740 7.248 1.00 12.35 C ATOM 422 O SER A 59 11.488 17.834 7.541 1.00 12.28 O ATOM 423 CB SER A 59 11.307 14.697 8.614 1.00 14.66 C ATOM 424 OG SER A 59 11.204 14.378 9.978 1.00 24.21 O ATOM 425 N ALA A 60 10.852 16.266 6.007 1.00 12.23 N ATOM 426 CA ALA A 60 11.449 16.965 4.873 1.00 12.25 C ATOM 427 C ALA A 60 10.715 18.289 4.697 1.00 11.54 C ATOM 428 O ALA A 60 11.325 19.280 4.343 1.00 13.82 O ATOM 429 CB ALA A 60 11.346 16.138 3.589 1.00 10.85 C ATOM 430 N PHE A 61 9.420 18.183 4.950 1.00 12.07 N ATOM 431 CA PHE A 61 8.569 19.401 4.801 1.00 11.09 C ATOM 432 C PHE A 61 9.077 20.476 5.763 1.00 10.30 C ATOM 433 O PHE A 61 9.445 21.578 5.297 1.00 11.07 O ATOM 434 CB PHE A 61 7.100 19.054 4.982 1.00 11.46 C ATOM 435 CG PHE A 61 6.219 20.245 4.670 1.00 12.81 C ATOM 436 CD1 PHE A 61 5.910 21.177 5.630 1.00 14.78 C ATOM 437 CD2 PHE A 61 5.729 20.395 3.363 1.00 15.07 C ATOM 438 CE1 PHE A 61 5.068 22.271 5.308 1.00 14.71 C ATOM 439 CE2 PHE A 61 4.913 21.459 3.037 1.00 18.45 C ATOM 440 CZ PHE A 61 4.577 22.403 4.003 1.00 13.09 C ATOM 441 N THR A 62 9.043 20.197 7.064 1.00 9.78 N ATOM 442 CA THR A 62 9.535 21.168 8.055 1.00 9.86 C ATOM 443 C THR A 62 10.943 21.693 7.782 1.00 10.10 C ATOM 444 O THR A 62 11.247 22.913 7.832 1.00 8.96 O ATOM 445 CB THR A 62 9.371 20.518 9.498 1.00 10.34 C ATOM 446 OG1 THR A 62 7.957 20.187 9.632 1.00 11.24 O ATOM 447 CG2 THR A 62 9.923 21.424 10.607 1.00 8.13 C ATOM 448 N LYS A 63 11.856 20.748 7.511 1.00 11.44 N ATOM 449 CA LYS A 63 13.262 21.067 7.207 1.00 12.64 C ATOM 450 C LYS A 63 13.368 22.021 6.032 1.00 12.94 C ATOM 451 O LYS A 63 14.057 23.050 6.114 1.00 14.59 O ATOM 452 CB LYS A 63 13.960 19.754 6.799 1.00 16.19 C ATOM 453 CG LYS A 63 15.458 19.933 6.419 1.00 19.71 C ATOM 454 CD LYS A 63 16.090 18.513 6.525 1.00 28.93 C ATOM 455 CE LYS A 63 17.535 18.609 6.996 1.00 36.60 C ATOM 456 NZ LYS A 63 18.303 19.330 5.943 1.00 36.37 N ATOM 457 N LYS A 64 12.670 21.709 4.936 1.00 13.65 N ATOM 458 CA LYS A 64 12.751 22.600 3.747 1.00 14.11 C ATOM 459 C LYS A 64 12.294 23.999 4.067 1.00 14.43 C ATOM 460 O LYS A 64 12.912 25.024 3.721 1.00 15.08 O ATOM 461 CB LYS A 64 11.941 22.025 2.599 1.00 24.57 C ATOM 462 CG LYS A 64 11.951 22.904 1.346 1.00 36.17 C ATOM 463 CD LYS A 64 11.601 22.102 0.099 1.00 47.98 C ATOM 464 CE LYS A 64 12.629 22.284 -1.012 1.00 53.69 C ATOM 465 NZ LYS A 64 13.595 21.141 -1.033 1.00 55.45 N ATOM 466 N MET A 65 11.185 24.066 4.786 1.00 13.84 N ATOM 467 CA MET A 65 10.558 25.357 5.146 1.00 14.28 C ATOM 468 C MET A 65 11.476 26.206 5.990 1.00 13.77 C ATOM 469 O MET A 65 11.591 27.392 5.672 1.00 14.62 O ATOM 470 CB MET A 65 9.169 25.111 5.732 1.00 15.90 C ATOM 471 CG MET A 65 8.331 26.339 5.807 1.00 19.19 C ATOM 472 SD MET A 65 6.581 25.784 6.195 1.00 17.55 S ATOM 473 CE MET A 65 5.973 27.420 6.676 1.00 17.78 C ATOM 474 N VAL A 66 12.108 25.627 7.004 1.00 13.49 N ATOM 475 CA VAL A 66 12.949 26.479 7.889 1.00 13.70 C ATOM 476 C VAL A 66 14.312 26.742 7.288 1.00 14.06 C ATOM 477 O VAL A 66 14.915 27.803 7.582 1.00 13.68 O ATOM 478 CB VAL A 66 12.982 25.920 9.320 1.00 11.34 C ATOM 479 CG1 VAL A 66 11.590 25.950 9.962 1.00 13.39 C ATOM 480 CG2 VAL A 66 13.595 24.534 9.381 1.00 14.50 C ATOM 481 N GLU A 67 14.755 25.776 6.486 1.00 15.07 N ATOM 482 CA GLU A 67 16.088 25.922 5.875 1.00 16.16 C ATOM 483 C GLU A 67 16.108 26.964 4.800 1.00 17.66 C ATOM 484 O GLU A 67 17.172 27.620 4.672 1.00 18.76 O ATOM 485 CB GLU A 67 16.641 24.618 5.332 1.00 17.63 C ATOM 486 CG GLU A 67 17.202 23.717 6.453 1.00 21.65 C ATOM 487 CD GLU A 67 17.849 22.451 5.980 1.00 26.95 C ATOM 488 OE1 GLU A 67 17.829 22.160 4.793 1.00 30.90 O ATOM 489 OE2 GLU A 67 18.357 21.785 6.907 1.00 24.97 O ATOM 490 N ASN A 68 15.011 27.163 4.098 1.00 18.77 N ATOM 491 CA ASN A 68 15.010 28.146 2.980 1.00 19.89 C ATOM 492 C ASN A 68 14.512 29.518 3.382 1.00 20.58 C ATOM 493 O ASN A 68 14.423 30.441 2.529 1.00 21.29 O ATOM 494 CB ASN A 68 14.219 27.547 1.807 1.00 28.24 C ATOM 495 CG ASN A 68 14.807 26.280 1.233 1.00 35.39 C ATOM 496 OD1 ASN A 68 14.047 25.382 0.822 1.00 42.76 O ATOM 497 ND2 ASN A 68 16.131 26.157 1.188 1.00 35.25 N ATOM 498 N ALA A 69 14.159 29.628 4.670 1.00 19.86 N ATOM 499 CA ALA A 69 13.580 30.894 5.159 1.00 18.12 C ATOM 500 C ALA A 69 14.682 31.927 5.329 1.00 17.82 C ATOM 501 O ALA A 69 15.811 31.523 5.670 1.00 18.50 O ATOM 502 CB ALA A 69 12.831 30.590 6.449 1.00 17.68 C ATOM 503 N LYS A 70 14.335 33.179 5.076 1.00 16.98 N ATOM 504 CA LYS A 70 15.320 34.241 5.327 1.00 17.74 C ATOM 505 C LYS A 70 15.112 34.674 6.795 1.00 17.81 C ATOM 506 O LYS A 70 16.049 35.210 7.395 1.00 18.09 O ATOM 507 CB LYS A 70 15.330 35.414 4.445 1.00 22.11 C ATOM 508 CG LYS A 70 14.122 36.014 3.843 1.00 27.10 C ATOM 509 CD LYS A 70 14.517 36.849 2.582 1.00 22.43 C ATOM 510 CE LYS A 70 13.415 37.861 2.362 1.00 21.48 C ATOM 511 NZ LYS A 70 13.836 38.959 1.478 1.00 20.34 N ATOM 512 N LYS A 71 13.872 34.465 7.284 1.00 16.50 N ATOM 513 CA LYS A 71 13.605 34.873 8.669 1.00 14.96 C ATOM 514 C LYS A 71 12.746 33.795 9.363 1.00 13.80 C ATOM 515 O LYS A 71 11.756 33.370 8.784 1.00 14.83 O ATOM 516 CB LYS A 71 12.847 36.181 8.776 1.00 16.29 C ATOM 517 CG LYS A 71 13.482 37.345 8.060 1.00 24.28 C ATOM 518 CD LYS A 71 12.802 38.660 8.376 1.00 31.22 C ATOM 519 CE LYS A 71 12.755 39.526 7.120 1.00 37.65 C ATOM 520 NZ LYS A 71 12.257 40.889 7.426 1.00 42.29 N ATOM 521 N ILE A 72 13.185 33.474 10.543 1.00 12.76 N ATOM 522 CA ILE A 72 12.436 32.521 11.388 1.00 12.36 C ATOM 523 C ILE A 72 12.040 33.363 12.633 1.00 11.37 C ATOM 524 O ILE A 72 12.856 34.123 13.167 1.00 11.34 O ATOM 525 CB ILE A 72 13.188 31.253 11.737 1.00 10.24 C ATOM 526 CG1 ILE A 72 13.249 30.349 10.424 1.00 12.03 C ATOM 527 CG2 ILE A 72 12.557 30.452 12.914 1.00 10.74 C ATOM 528 CD1 ILE A 72 14.491 29.387 10.602 1.00 18.85 C ATOM 529 N GLU A 73 10.784 33.147 13.004 1.00 10.19 N ATOM 530 CA GLU A 73 10.209 33.818 14.161 1.00 8.97 C ATOM 531 C GLU A 73 9.492 32.741 15.007 1.00 9.53 C ATOM 532 O GLU A 73 9.031 31.739 14.451 1.00 9.42 O ATOM 533 CB GLU A 73 9.242 34.864 13.709 1.00 8.63 C ATOM 534 CG GLU A 73 9.948 36.029 12.988 1.00 14.76 C ATOM 535 CD GLU A 73 8.988 37.091 12.550 1.00 19.84 C ATOM 536 OE1 GLU A 73 8.189 36.631 11.720 1.00 20.68 O ATOM 537 OE2 GLU A 73 9.003 38.200 13.020 1.00 24.66 O ATOM 538 N VAL A 74 9.534 32.973 16.311 1.00 8.41 N ATOM 539 CA VAL A 74 8.908 32.113 17.290 1.00 7.44 C ATOM 540 C VAL A 74 7.819 32.941 17.987 1.00 7.79 C ATOM 541 O VAL A 74 8.006 34.146 18.289 1.00 9.50 O ATOM 542 CB VAL A 74 9.898 31.450 18.250 1.00 13.01 C ATOM 543 CG1 VAL A 74 11.014 30.725 17.507 1.00 13.00 C ATOM 544 CG2 VAL A 74 10.483 32.341 19.276 1.00 17.63 C ATOM 545 N GLU A 75 6.753 32.256 18.258 1.00 6.59 N ATOM 546 CA GLU A 75 5.628 32.951 18.927 1.00 7.63 C ATOM 547 C GLU A 75 5.165 32.058 20.072 1.00 7.68 C ATOM 548 O GLU A 75 4.643 30.975 19.724 1.00 7.63 O ATOM 549 CB GLU A 75 4.520 33.141 17.913 1.00 8.16 C ATOM 550 CG GLU A 75 3.221 33.721 18.504 1.00 10.87 C ATOM 551 CD GLU A 75 2.221 33.974 17.421 1.00 14.98 C ATOM 552 OE1 GLU A 75 1.874 32.957 16.814 1.00 12.06 O ATOM 553 OE2 GLU A 75 1.868 35.097 17.133 1.00 19.43 O ATOM 554 N PHE A 76 5.422 32.511 21.289 1.00 7.84 N ATOM 555 CA PHE A 76 4.955 31.673 22.449 1.00 7.36 C ATOM 556 C PHE A 76 3.455 31.938 22.589 1.00 7.36 C ATOM 557 O PHE A 76 3.019 32.986 22.142 1.00 8.84 O ATOM 558 CB PHE A 76 5.692 32.049 23.730 1.00 9.18 C ATOM 559 CG PHE A 76 7.086 31.452 23.772 1.00 8.95 C ATOM 560 CD1 PHE A 76 7.218 30.095 24.123 1.00 9.77 C ATOM 561 CD2 PHE A 76 8.188 32.224 23.425 1.00 9.44 C ATOM 562 CE1 PHE A 76 8.490 29.516 24.188 1.00 12.63 C ATOM 563 CE2 PHE A 76 9.461 31.655 23.461 1.00 9.35 C ATOM 564 CZ PHE A 76 9.600 30.315 23.838 1.00 10.21 C ATOM 565 N ASP A 77 2.768 30.982 23.162 1.00 7.49 N ATOM 566 CA ASP A 77 1.311 31.137 23.408 1.00 8.06 C ATOM 567 C ASP A 77 1.208 31.649 24.864 1.00 9.72 C ATOM 568 O ASP A 77 2.246 31.977 25.492 1.00 9.63 O ATOM 569 CB ASP A 77 0.558 29.884 23.086 1.00 8.62 C ATOM 570 CG ASP A 77 -0.914 30.132 22.725 1.00 12.79 C ATOM 571 OD1 ASP A 77 -1.388 31.185 23.161 1.00 9.33 O ATOM 572 OD2 ASP A 77 -1.518 29.325 22.025 1.00 9.87 O ATOM 573 N LYS A 78 -0.032 31.664 25.350 1.00 9.74 N ATOM 574 CA LYS A 78 -0.315 32.221 26.692 1.00 11.24 C ATOM 575 C LYS A 78 -0.234 31.235 27.812 1.00 11.66 C ATOM 576 O LYS A 78 -0.316 31.628 29.015 1.00 13.06 O ATOM 577 CB LYS A 78 -1.756 32.850 26.644 1.00 13.60 C ATOM 578 CG LYS A 78 -2.850 31.808 26.436 1.00 25.43 C ATOM 579 CD LYS A 78 -4.236 32.431 26.308 1.00 33.25 C ATOM 580 CE LYS A 78 -5.310 31.419 25.957 1.00 38.51 C ATOM 581 NZ LYS A 78 -5.954 31.763 24.637 1.00 42.09 N ATOM 582 N GLY A 79 -0.069 29.975 27.497 1.00 10.67 N ATOM 583 CA GLY A 79 -0.007 28.893 28.487 1.00 10.44 C ATOM 584 C GLY A 79 1.441 28.564 28.834 1.00 10.71 C ATOM 585 O GLY A 79 2.321 29.432 28.652 1.00 10.41 O ATOM 586 N GLN A 80 1.641 27.351 29.325 1.00 9.80 N ATOM 587 CA GLN A 80 3.029 26.923 29.697 1.00 10.36 C ATOM 588 C GLN A 80 3.959 27.000 28.488 1.00 9.99 C ATOM 589 O GLN A 80 3.514 26.600 27.383 1.00 10.99 O ATOM 590 CB GLN A 80 2.950 25.554 30.367 1.00 11.16 C ATOM 591 CG GLN A 80 2.111 25.740 31.644 1.00 21.02 C ATOM 592 CD GLN A 80 1.915 24.470 32.425 1.00 23.29 C ATOM 593 OE1 GLN A 80 0.978 24.428 33.249 1.00 22.27 O ATOM 594 NE2 GLN A 80 2.812 23.515 32.187 1.00 8.70 N ATOM 595 N ARG A 81 5.189 27.484 28.699 1.00 8.70 N ATOM 596 CA ARG A 81 6.100 27.677 27.558 1.00 9.54 C ATOM 597 C ARG A 81 7.091 26.621 27.264 1.00 9.88 C ATOM 598 O ARG A 81 7.756 26.657 26.202 1.00 8.99 O ATOM 599 CB ARG A 81 6.831 29.073 27.733 1.00 8.23 C ATOM 600 CG ARG A 81 5.690 30.050 27.483 1.00 12.01 C ATOM 601 CD ARG A 81 5.772 31.471 27.702 1.00 17.64 C ATOM 602 NE ARG A 81 4.464 32.109 27.363 1.00 20.32 N ATOM 603 CZ ARG A 81 4.189 33.335 27.788 1.00 25.15 C ATOM 604 NH1 ARG A 81 5.042 34.006 28.560 1.00 22.68 N ATOM 605 NH2 ARG A 81 3.040 33.883 27.426 1.00 27.16 N ATOM 606 N THR A 82 7.222 25.696 28.232 1.00 9.95 N ATOM 607 CA THR A 82 8.138 24.530 28.024 1.00 10.11 C ATOM 608 C THR A 82 7.464 23.241 28.435 1.00 10.53 C ATOM 609 O THR A 82 6.520 23.266 29.306 1.00 10.68 O ATOM 610 CB THR A 82 9.547 24.761 28.680 1.00 8.51 C ATOM 611 OG1 THR A 82 9.274 24.668 30.100 1.00 17.09 O ATOM 612 CG2 THR A 82 10.141 26.153 28.451 1.00 11.39 C ATOM 613 N ASP A 83 7.805 22.144 27.796 1.00 10.38 N ATOM 614 CA ASP A 83 7.210 20.817 28.173 1.00 11.47 C ATOM 615 C ASP A 83 8.129 20.208 29.261 1.00 11.77 C ATOM 616 O ASP A 83 9.118 20.862 29.641 1.00 10.82 O ATOM 617 CB ASP A 83 6.950 19.980 26.961 1.00 8.45 C ATOM 618 CG ASP A 83 8.234 19.544 26.274 1.00 11.27 C ATOM 619 OD1 ASP A 83 9.357 19.770 26.738 1.00 9.18 O ATOM 620 OD2 ASP A 83 7.998 18.975 25.181 1.00 13.78 O ATOM 621 N LYS A 84 7.797 19.005 29.682 1.00 11.95 N ATOM 622 CA LYS A 84 8.599 18.352 30.755 1.00 12.92 C ATOM 623 C LYS A 84 9.983 17.976 30.281 1.00 12.23 C ATOM 624 O LYS A 84 10.827 17.720 31.143 1.00 12.68 O ATOM 625 CB LYS A 84 7.891 17.136 31.375 1.00 18.04 C ATOM 626 CG LYS A 84 7.651 16.040 30.346 1.00 27.98 C ATOM 627 CD LYS A 84 7.287 14.692 30.887 1.00 39.91 C ATOM 628 CE LYS A 84 5.828 14.454 31.143 1.00 47.08 C ATOM 629 NZ LYS A 84 5.623 13.848 32.507 1.00 56.50 N ATOM 630 N TYR A 85 10.189 17.987 28.973 1.00 11.01 N ATOM 631 CA TYR A 85 11.488 17.651 28.393 1.00 10.06 C ATOM 632 C TYR A 85 12.356 18.858 28.166 1.00 10.75 C ATOM 633 O TYR A 85 13.428 18.719 27.565 1.00 10.11 O ATOM 634 CB TYR A 85 11.375 16.834 27.092 1.00 8.29 C ATOM 635 CG TYR A 85 10.682 15.524 27.341 1.00 14.48 C ATOM 636 CD1 TYR A 85 11.337 14.447 27.953 1.00 18.74 C ATOM 637 CD2 TYR A 85 9.334 15.370 27.022 1.00 18.10 C ATOM 638 CE1 TYR A 85 10.665 13.257 28.225 1.00 18.05 C ATOM 639 CE2 TYR A 85 8.647 14.180 27.273 1.00 21.35 C ATOM 640 CZ TYR A 85 9.324 13.128 27.889 1.00 23.33 C ATOM 641 OH TYR A 85 8.661 11.976 28.171 1.00 28.36 O ATOM 642 N GLY A 86 11.833 20.047 28.529 1.00 10.02 N ATOM 643 CA GLY A 86 12.611 21.280 28.348 1.00 9.49 C ATOM 644 C GLY A 86 12.467 21.930 26.978 1.00 8.52 C ATOM 645 O GLY A 86 13.224 22.851 26.674 1.00 9.07 O ATOM 646 N ARG A 87 11.566 21.399 26.154 1.00 7.28 N ATOM 647 CA ARG A 87 11.359 21.994 24.817 1.00 7.04 C ATOM 648 C ARG A 87 10.425 23.221 24.923 1.00 6.46 C ATOM 649 O ARG A 87 9.443 23.125 25.691 1.00 6.15 O ATOM 650 CB ARG A 87 10.747 20.954 23.842 1.00 8.08 C ATOM 651 CG ARG A 87 11.641 19.718 23.791 1.00 8.64 C ATOM 652 CD ARG A 87 11.103 18.660 22.929 1.00 9.86 C ATOM 653 NE ARG A 87 9.826 18.179 23.400 1.00 11.60 N ATOM 654 CZ ARG A 87 9.136 17.298 22.666 1.00 16.16 C ATOM 655 NH1 ARG A 87 9.615 16.854 21.487 1.00 18.47 N ATOM 656 NH2 ARG A 87 7.963 16.858 23.118 1.00 13.90 N ATOM 657 N GLY A 88 10.749 24.233 24.145 1.00 5.14 N ATOM 658 CA GLY A 88 9.892 25.449 24.087 1.00 6.12 C ATOM 659 C GLY A 88 8.663 25.049 23.240 1.00 6.56 C ATOM 660 O GLY A 88 8.797 24.304 22.261 1.00 6.95 O ATOM 661 N LEU A 89 7.505 25.525 23.645 1.00 5.66 N ATOM 662 CA LEU A 89 6.239 25.224 22.966 1.00 5.17 C ATOM 663 C LEU A 89 5.840 26.505 22.223 1.00 5.24 C ATOM 664 O LEU A 89 5.511 27.441 22.925 1.00 4.87 O ATOM 665 CB LEU A 89 5.194 24.865 24.044 1.00 5.72 C ATOM 666 CG LEU A 89 5.552 23.599 24.816 1.00 11.11 C ATOM 667 CD1 LEU A 89 4.519 23.320 25.897 1.00 12.56 C ATOM 668 CD2 LEU A 89 5.524 22.428 23.807 1.00 14.09 C ATOM 669 N ALA A 90 5.946 26.405 20.899 1.00 4.69 N ATOM 670 CA ALA A 90 5.598 27.656 20.186 1.00 4.23 C ATOM 671 C ALA A 90 5.110 27.402 18.797 1.00 4.23 C ATOM 672 O ALA A 90 5.152 26.307 18.288 1.00 4.02 O ATOM 673 CB ALA A 90 6.975 28.368 20.081 1.00 6.81 C ATOM 674 N TYR A 91 4.638 28.518 18.243 1.00 4.20 N ATOM 675 CA TYR A 91 4.266 28.557 16.819 1.00 4.67 C ATOM 676 C TYR A 91 5.563 29.083 16.126 1.00 5.15 C ATOM 677 O TYR A 91 6.127 30.050 16.628 1.00 6.53 O ATOM 678 CB TYR A 91 3.122 29.543 16.534 1.00 3.62 C ATOM 679 CG TYR A 91 1.874 29.152 17.319 1.00 7.67 C ATOM 680 CD1 TYR A 91 1.083 28.058 16.973 1.00 7.51 C ATOM 681 CD2 TYR A 91 1.523 29.915 18.427 1.00 10.91 C ATOM 682 CE1 TYR A 91 -0.047 27.739 17.717 1.00 9.48 C ATOM 683 CE2 TYR A 91 0.376 29.600 19.194 1.00 8.46 C ATOM 684 CZ TYR A 91 -0.392 28.505 18.810 1.00 10.42 C ATOM 685 OH TYR A 91 -1.505 28.262 19.566 1.00 10.83 O ATOM 686 N ILE A 92 5.967 28.402 15.087 1.00 4.91 N ATOM 687 CA ILE A 92 7.172 28.870 14.371 1.00 4.67 C ATOM 688 C ILE A 92 6.772 29.430 13.013 1.00 5.21 C ATOM 689 O ILE A 92 6.031 28.741 12.343 1.00 6.01 O ATOM 690 CB ILE A 92 8.165 27.680 14.291 1.00 5.59 C ATOM 691 CG1 ILE A 92 8.628 27.500 15.781 1.00 9.16 C ATOM 692 CG2 ILE A 92 9.319 28.044 13.314 1.00 7.37 C ATOM 693 CD1 ILE A 92 9.548 26.323 15.983 1.00 20.01 C ATOM 694 N TYR A 93 7.369 30.535 12.640 1.00 5.99 N ATOM 695 CA TYR A 93 7.089 31.191 11.353 1.00 7.33 C ATOM 696 C TYR A 93 8.348 31.228 10.471 1.00 8.21 C ATOM 697 O TYR A 93 9.405 31.541 11.045 1.00 8.10 O ATOM 698 CB TYR A 93 6.640 32.645 11.619 1.00 7.35 C ATOM 699 CG TYR A 93 5.259 32.689 12.273 1.00 3.71 C ATOM 700 CD1 TYR A 93 5.168 32.579 13.658 1.00 4.39 C ATOM 701 CD2 TYR A 93 4.105 32.831 11.519 1.00 7.70 C ATOM 702 CE1 TYR A 93 3.935 32.609 14.315 1.00 4.85 C ATOM 703 CE2 TYR A 93 2.873 32.861 12.145 1.00 7.44 C ATOM 704 CZ TYR A 93 2.799 32.760 13.543 1.00 10.13 C ATOM 705 OH TYR A 93 1.598 32.807 14.179 1.00 10.62 O ATOM 706 N ALA A 94 8.153 30.896 9.203 1.00 7.60 N ATOM 707 CA ALA A 94 9.294 30.982 8.243 1.00 8.57 C ATOM 708 C ALA A 94 8.821 31.999 7.188 1.00 10.23 C ATOM 709 O ALA A 94 7.818 31.735 6.553 1.00 10.65 O ATOM 710 CB ALA A 94 9.476 29.618 7.644 1.00 8.94 C ATOM 711 N ASP A 95 9.469 33.138 7.117 1.00 10.75 N ATOM 712 CA ASP A 95 9.119 34.208 6.180 1.00 12.16 C ATOM 713 C ASP A 95 7.626 34.505 6.292 1.00 12.25 C ATOM 714 O ASP A 95 6.927 34.571 5.297 1.00 12.40 O ATOM 715 CB ASP A 95 9.545 33.927 4.726 1.00 12.23 C ATOM 716 CG ASP A 95 11.071 33.834 4.611 1.00 12.21 C ATOM 717 OD1 ASP A 95 11.763 34.562 5.345 1.00 16.16 O ATOM 718 OD2 ASP A 95 11.510 32.972 3.846 1.00 20.24 O ATOM 719 N GLY A 96 7.227 34.657 7.528 1.00 12.27 N ATOM 720 CA GLY A 96 5.855 34.980 7.877 1.00 12.62 C ATOM 721 C GLY A 96 4.864 33.868 7.720 1.00 11.51 C ATOM 722 O GLY A 96 3.690 34.142 8.067 1.00 13.24 O ATOM 723 N LYS A 97 5.217 32.703 7.254 1.00 10.55 N ATOM 724 CA LYS A 97 4.217 31.614 7.117 1.00 8.94 C ATOM 725 C LYS A 97 4.332 30.707 8.357 1.00 8.09 C ATOM 726 O LYS A 97 5.487 30.249 8.599 1.00 6.45 O ATOM 727 CB LYS A 97 4.588 30.797 5.899 1.00 16.10 C ATOM 728 CG LYS A 97 3.971 31.360 4.600 1.00 29.76 C ATOM 729 CD LYS A 97 2.645 30.604 4.396 1.00 44.24 C ATOM 730 CE LYS A 97 2.747 29.106 4.170 1.00 44.57 C ATOM 731 NZ LYS A 97 1.409 28.453 4.278 1.00 36.17 N ATOM 732 N MET A 98 3.199 30.397 8.973 1.00 6.18 N ATOM 733 CA MET A 98 3.322 29.511 10.167 1.00 6.10 C ATOM 734 C MET A 98 3.640 28.072 9.741 1.00 6.34 C ATOM 735 O MET A 98 2.852 27.474 8.994 1.00 6.16 O ATOM 736 CB MET A 98 2.032 29.568 10.984 1.00 8.56 C ATOM 737 CG MET A 98 2.306 29.069 12.402 1.00 8.33 C ATOM 738 SD MET A 98 0.750 28.536 13.200 1.00 9.87 S ATOM 739 CE MET A 98 -0.183 30.104 13.193 1.00 10.13 C ATOM 740 N VAL A 99 4.724 27.480 10.225 1.00 5.87 N ATOM 741 CA VAL A 99 5.052 26.098 9.871 1.00 5.43 C ATOM 742 C VAL A 99 3.973 25.168 10.425 1.00 5.03 C ATOM 743 O VAL A 99 3.661 24.156 9.778 1.00 5.20 O ATOM 744 CB VAL A 99 6.438 25.748 10.434 1.00 8.08 C ATOM 745 CG1 VAL A 99 6.812 24.286 10.138 1.00 5.09 C ATOM 746 CG2 VAL A 99 7.467 26.719 9.863 1.00 6.23 C ATOM 747 N ASN A 100 3.479 25.498 11.604 1.00 4.87 N ATOM 748 CA ASN A 100 2.456 24.642 12.271 1.00 6.46 C ATOM 749 C ASN A 100 1.260 24.427 11.310 1.00 6.62 C ATOM 750 O ASN A 100 0.840 23.303 11.041 1.00 7.31 O ATOM 751 CB ASN A 100 2.006 25.209 13.597 1.00 2.00 C ATOM 752 CG ASN A 100 3.148 25.612 14.499 1.00 4.48 C ATOM 753 OD1 ASN A 100 4.046 26.350 14.079 1.00 5.21 O ATOM 754 ND2 ASN A 100 3.167 25.180 15.784 1.00 3.81 N ATOM 755 N GLU A 101 0.781 25.577 10.836 1.00 6.26 N ATOM 756 CA GLU A 101 -0.377 25.540 9.883 1.00 6.46 C ATOM 757 C GLU A 101 -0.077 24.881 8.559 1.00 6.88 C ATOM 758 O GLU A 101 -0.913 24.081 8.059 1.00 7.22 O ATOM 759 CB GLU A 101 -0.884 26.991 9.715 1.00 8.84 C ATOM 760 CG GLU A 101 -2.272 27.059 9.036 1.00 11.85 C ATOM 761 CD GLU A 101 -2.169 27.000 7.540 1.00 18.28 C ATOM 762 OE1 GLU A 101 -1.130 27.234 6.907 1.00 21.69 O ATOM 763 OE2 GLU A 101 -3.191 26.595 6.980 1.00 16.10 O ATOM 764 N ALA A 102 1.066 25.170 7.950 1.00 6.51 N ATOM 765 CA ALA A 102 1.488 24.617 6.656 1.00 6.20 C ATOM 766 C ALA A 102 1.508 23.096 6.731 1.00 5.93 C ATOM 767 O ALA A 102 0.985 22.455 5.822 1.00 6.33 O ATOM 768 CB ALA A 102 2.849 25.151 6.222 1.00 4.39 C ATOM 769 N LEU A 103 2.010 22.568 7.849 1.00 5.88 N ATOM 770 CA LEU A 103 2.046 21.084 7.976 1.00 6.81 C ATOM 771 C LEU A 103 0.594 20.559 7.979 1.00 7.20 C ATOM 772 O LEU A 103 0.356 19.564 7.287 1.00 8.68 O ATOM 773 CB LEU A 103 2.769 20.601 9.231 1.00 8.50 C ATOM 774 CG LEU A 103 4.278 20.716 9.327 1.00 10.95 C ATOM 775 CD1 LEU A 103 4.742 20.631 10.804 1.00 8.37 C ATOM 776 CD2 LEU A 103 4.945 19.548 8.604 1.00 13.31 C ATOM 777 N VAL A 104 -0.202 21.233 8.788 1.00 6.64 N ATOM 778 CA VAL A 104 -1.605 20.750 8.900 1.00 6.45 C ATOM 779 C VAL A 104 -2.276 20.876 7.541 1.00 7.25 C ATOM 780 O VAL A 104 -2.967 19.917 7.123 1.00 7.99 O ATOM 781 CB VAL A 104 -2.325 21.526 10.026 1.00 10.52 C ATOM 782 CG1 VAL A 104 -3.839 21.277 10.019 1.00 11.16 C ATOM 783 CG2 VAL A 104 -1.691 21.165 11.378 1.00 4.75 C ATOM 784 N ARG A 105 -2.147 22.012 6.920 1.00 6.90 N ATOM 785 CA ARG A 105 -2.858 22.261 5.623 1.00 8.01 C ATOM 786 C ARG A 105 -2.473 21.272 4.539 1.00 8.96 C ATOM 787 O ARG A 105 -3.312 20.908 3.693 1.00 8.78 O ATOM 788 CB ARG A 105 -2.626 23.704 5.132 1.00 8.50 C ATOM 789 CG ARG A 105 -3.385 24.060 3.850 1.00 8.19 C ATOM 790 CD ARG A 105 -4.889 23.961 4.051 1.00 7.53 C ATOM 791 NE ARG A 105 -5.543 24.243 2.754 1.00 7.66 N ATOM 792 CZ ARG A 105 -5.730 23.274 1.860 1.00 10.40 C ATOM 793 NH1 ARG A 105 -5.338 22.023 2.014 1.00 6.94 N ATOM 794 NH2 ARG A 105 -6.389 23.624 0.754 1.00 11.15 N ATOM 795 N GLN A 106 -1.203 20.872 4.586 1.00 7.99 N ATOM 796 CA GLN A 106 -0.637 19.935 3.607 1.00 9.82 C ATOM 797 C GLN A 106 -0.938 18.493 3.923 1.00 10.78 C ATOM 798 O GLN A 106 -0.501 17.608 3.184 1.00 11.86 O ATOM 799 CB GLN A 106 0.858 20.245 3.505 1.00 12.94 C ATOM 800 CG GLN A 106 1.549 19.847 2.239 1.00 20.17 C ATOM 801 CD GLN A 106 1.289 20.737 1.047 1.00 20.07 C ATOM 802 OE1 GLN A 106 1.418 20.279 -0.084 1.00 23.56 O ATOM 803 NE2 GLN A 106 0.944 21.983 1.280 1.00 15.34 N ATOM 804 N GLY A 107 -1.677 18.213 4.985 1.00 11.66 N ATOM 805 CA GLY A 107 -1.992 16.832 5.384 1.00 12.23 C ATOM 806 C GLY A 107 -0.774 16.114 5.957 1.00 12.33 C ATOM 807 O GLY A 107 -0.741 14.876 5.827 1.00 12.71 O ATOM 808 N LEU A 108 0.177 16.860 6.530 1.00 11.68 N ATOM 809 CA LEU A 108 1.356 16.209 7.125 1.00 11.44 C ATOM 810 C LEU A 108 1.391 16.185 8.638 1.00 11.29 C ATOM 811 O LEU A 108 2.398 15.716 9.198 1.00 12.33 O ATOM 812 CB LEU A 108 2.597 16.819 6.475 1.00 13.51 C ATOM 813 CG LEU A 108 2.764 16.570 4.980 1.00 17.50 C ATOM 814 CD1 LEU A 108 3.971 17.331 4.465 1.00 18.22 C ATOM 815 CD2 LEU A 108 2.926 15.068 4.744 1.00 15.20 C ATOM 816 N ALA A 109 0.347 16.576 9.320 1.00 11.20 N ATOM 817 CA ALA A 109 0.178 16.580 10.748 1.00 10.76 C ATOM 818 C ALA A 109 -1.319 16.654 11.078 1.00 12.69 C ATOM 819 O ALA A 109 -2.084 17.242 10.310 1.00 12.22 O ATOM 820 CB ALA A 109 0.831 17.834 11.380 1.00 6.12 C ATOM 821 N LYS A 110 -1.666 16.153 12.253 1.00 13.63 N ATOM 822 CA LYS A 110 -3.047 16.247 12.780 1.00 13.71 C ATOM 823 C LYS A 110 -2.955 17.332 13.870 1.00 14.22 C ATOM 824 O LYS A 110 -1.803 17.609 14.317 1.00 13.25 O ATOM 825 CB LYS A 110 -3.597 14.976 13.380 1.00 17.67 C ATOM 826 CG LYS A 110 -3.425 13.799 12.434 1.00 29.10 C ATOM 827 CD LYS A 110 -3.206 12.490 13.199 1.00 41.39 C ATOM 828 CE LYS A 110 -3.553 11.291 12.322 1.00 50.89 C ATOM 829 NZ LYS A 110 -3.202 9.971 12.916 1.00 55.53 N ATOM 830 N VAL A 111 -4.090 17.929 14.190 1.00 14.13 N ATOM 831 CA VAL A 111 -4.105 18.997 15.208 1.00 15.29 C ATOM 832 C VAL A 111 -4.114 18.266 16.572 1.00 16.75 C ATOM 833 O VAL A 111 -4.992 17.419 16.715 1.00 16.78 O ATOM 834 CB VAL A 111 -5.265 19.956 15.093 1.00 13.17 C ATOM 835 CG1 VAL A 111 -5.347 20.905 16.294 1.00 12.41 C ATOM 836 CG2 VAL A 111 -5.225 20.806 13.826 1.00 14.07 C ATOM 837 N ALA A 112 -3.218 18.669 17.427 1.00 16.89 N ATOM 838 CA ALA A 112 -3.099 18.036 18.763 1.00 17.56 C ATOM 839 C ALA A 112 -4.081 18.614 19.743 1.00 18.87 C ATOM 840 O ALA A 112 -4.645 19.695 19.506 1.00 19.53 O ATOM 841 CB ALA A 112 -1.662 18.287 19.227 1.00 13.23 C ATOM 842 N TYR A 113 -4.259 17.896 20.851 1.00 20.20 N ATOM 843 CA TYR A 113 -5.165 18.413 21.920 1.00 21.13 C ATOM 844 C TYR A 113 -4.434 19.618 22.520 1.00 20.36 C ATOM 845 O TYR A 113 -3.186 19.634 22.457 1.00 20.69 O ATOM 846 CB TYR A 113 -5.493 17.372 22.979 1.00 34.76 C ATOM 847 CG TYR A 113 -5.701 15.930 22.602 1.00 44.18 C ATOM 848 CD1 TYR A 113 -6.930 15.394 22.216 1.00 49.91 C ATOM 849 CD2 TYR A 113 -4.613 15.049 22.695 1.00 52.55 C ATOM 850 CE1 TYR A 113 -7.083 14.050 21.896 1.00 54.02 C ATOM 851 CE2 TYR A 113 -4.733 13.694 22.363 1.00 59.17 C ATOM 852 CZ TYR A 113 -5.983 13.203 21.968 1.00 58.63 C ATOM 853 OH TYR A 113 -6.098 11.877 21.657 1.00 59.12 O ATOM 854 N VAL A 114 -5.187 20.553 23.032 1.00 20.75 N ATOM 855 CA VAL A 114 -4.558 21.739 23.662 1.00 21.33 C ATOM 856 C VAL A 114 -3.711 21.256 24.847 1.00 22.11 C ATOM 857 O VAL A 114 -4.069 20.261 25.510 1.00 22.50 O ATOM 858 CB VAL A 114 -5.616 22.766 24.025 1.00 22.84 C ATOM 859 CG1 VAL A 114 -5.077 23.888 24.917 1.00 21.44 C ATOM 860 CG2 VAL A 114 -6.238 23.332 22.764 1.00 20.42 C ATOM 861 N TYR A 115 -2.622 21.969 25.085 1.00 21.24 N ATOM 862 CA TYR A 115 -1.727 21.619 26.216 1.00 19.52 C ATOM 863 C TYR A 115 -1.616 22.847 27.092 1.00 18.34 C ATOM 864 O TYR A 115 -1.187 23.931 26.621 1.00 19.27 O ATOM 865 CB TYR A 115 -0.372 21.143 25.677 1.00 22.29 C ATOM 866 CG TYR A 115 0.627 20.841 26.781 1.00 23.87 C ATOM 867 CD1 TYR A 115 0.519 19.655 27.515 1.00 25.44 C ATOM 868 CD2 TYR A 115 1.641 21.733 27.098 1.00 22.87 C ATOM 869 CE1 TYR A 115 1.406 19.376 28.544 1.00 24.79 C ATOM 870 CE2 TYR A 115 2.535 21.469 28.130 1.00 21.94 C ATOM 871 CZ TYR A 115 2.412 20.289 28.849 1.00 27.55 C ATOM 872 OH TYR A 115 3.251 19.986 29.881 1.00 26.49 O ATOM 873 N LYS A 116 -2.089 22.722 28.297 1.00 17.00 N ATOM 874 CA LYS A 116 -2.026 23.756 29.316 1.00 16.36 C ATOM 875 C LYS A 116 -2.236 25.186 28.892 1.00 15.74 C ATOM 876 O LYS A 116 -1.387 26.085 29.128 1.00 16.95 O ATOM 877 CB LYS A 116 -0.642 23.653 29.984 1.00 22.21 C ATOM 878 CG LYS A 116 -0.120 22.236 30.176 1.00 31.27 C ATOM 879 CD LYS A 116 -0.955 21.436 31.152 1.00 35.25 C ATOM 880 CE LYS A 116 -0.038 20.660 32.094 1.00 41.54 C ATOM 881 NZ LYS A 116 -0.707 20.647 33.427 1.00 47.99 N ATOM 882 N GLY A 117 -3.355 25.482 28.293 1.00 15.13 N ATOM 883 CA GLY A 117 -3.801 26.786 27.863 1.00 14.76 C ATOM 884 C GLY A 117 -3.243 27.303 26.548 1.00 14.06 C ATOM 885 O GLY A 117 -3.593 28.464 26.212 1.00 14.96 O ATOM 886 N ASN A 118 -2.431 26.532 25.878 1.00 12.76 N ATOM 887 CA ASN A 118 -1.839 27.052 24.593 1.00 12.36 C ATOM 888 C ASN A 118 -2.834 26.761 23.484 1.00 11.90 C ATOM 889 O ASN A 118 -2.635 25.739 22.823 1.00 11.71 O ATOM 890 CB ASN A 118 -0.470 26.373 24.376 1.00 11.19 C ATOM 891 CG ASN A 118 0.507 26.805 25.455 1.00 8.23 C ATOM 892 OD1 ASN A 118 0.728 28.004 25.640 1.00 11.99 O ATOM 893 ND2 ASN A 118 1.160 25.875 26.120 1.00 12.56 N ATOM 894 N ASN A 119 -3.836 27.631 23.329 1.00 12.82 N ATOM 895 CA ASN A 119 -4.857 27.359 22.279 1.00 13.35 C ATOM 896 C ASN A 119 -5.116 28.521 21.347 1.00 13.68 C ATOM 897 O ASN A 119 -6.132 28.433 20.592 1.00 14.30 O ATOM 898 CB ASN A 119 -6.149 26.915 23.030 1.00 17.05 C ATOM 899 CG ASN A 119 -6.681 27.966 23.978 1.00 19.27 C ATOM 900 OD1 ASN A 119 -6.269 29.133 24.020 1.00 17.15 O ATOM 901 ND2 ASN A 119 -7.635 27.535 24.813 1.00 31.92 N ATOM 902 N THR A 120 -4.315 29.556 21.370 1.00 12.69 N ATOM 903 CA THR A 120 -4.599 30.710 20.511 1.00 13.05 C ATOM 904 C THR A 120 -4.956 30.332 19.077 1.00 13.15 C ATOM 905 O THR A 120 -6.006 30.838 18.614 1.00 13.68 O ATOM 906 CB THR A 120 -3.538 31.847 20.568 1.00 13.93 C ATOM 907 OG1 THR A 120 -3.404 32.245 21.960 1.00 16.60 O ATOM 908 CG2 THR A 120 -3.799 33.083 19.722 1.00 18.33 C ATOM 909 N HIS A 121 -4.191 29.525 18.401 1.00 11.68 N ATOM 910 CA HIS A 121 -4.484 29.224 16.982 1.00 11.36 C ATOM 911 C HIS A 121 -5.153 27.909 16.743 1.00 12.21 C ATOM 912 O HIS A 121 -5.161 27.397 15.584 1.00 12.04 O ATOM 913 CB HIS A 121 -3.143 29.265 16.179 1.00 11.83 C ATOM 914 CG HIS A 121 -2.509 30.611 16.249 1.00 14.73 C ATOM 915 ND1 HIS A 121 -3.203 31.778 16.065 1.00 14.79 N ATOM 916 CD2 HIS A 121 -1.218 30.952 16.482 1.00 11.87 C ATOM 917 CE1 HIS A 121 -2.374 32.795 16.189 1.00 15.64 C ATOM 918 NE2 HIS A 121 -1.175 32.329 16.460 1.00 13.46 N ATOM 919 N GLU A 122 -5.733 27.305 17.797 1.00 11.93 N ATOM 920 CA GLU A 122 -6.373 26.001 17.586 1.00 13.25 C ATOM 921 C GLU A 122 -7.472 26.033 16.523 1.00 13.56 C ATOM 922 O GLU A 122 -7.533 25.104 15.707 1.00 13.87 O ATOM 923 CB GLU A 122 -6.833 25.361 18.891 1.00 16.73 C ATOM 924 CG GLU A 122 -7.713 24.123 18.756 1.00 18.03 C ATOM 925 CD GLU A 122 -8.507 23.719 19.957 1.00 23.57 C ATOM 926 OE1 GLU A 122 -8.737 24.666 20.755 1.00 24.04 O ATOM 927 OE2 GLU A 122 -8.866 22.566 20.150 1.00 22.91 O ATOM 928 N GLN A 123 -8.334 27.031 16.514 1.00 14.10 N ATOM 929 CA GLN A 123 -9.455 27.056 15.540 1.00 14.82 C ATOM 930 C GLN A 123 -8.939 27.154 14.123 1.00 14.09 C ATOM 931 O GLN A 123 -9.430 26.474 13.238 1.00 14.38 O ATOM 932 CB GLN A 123 -10.472 28.127 15.915 1.00 24.25 C ATOM 933 CG GLN A 123 -11.096 27.856 17.287 1.00 36.78 C ATOM 934 CD GLN A 123 -11.575 26.433 17.487 1.00 49.15 C ATOM 935 OE1 GLN A 123 -11.252 25.718 18.434 1.00 53.79 O ATOM 936 NE2 GLN A 123 -12.323 25.987 16.468 1.00 56.93 N ATOM 937 N HIS A 124 -7.986 28.049 13.988 1.00 14.40 N ATOM 938 CA HIS A 124 -7.338 28.283 12.681 1.00 14.18 C ATOM 939 C HIS A 124 -6.758 26.970 12.208 1.00 13.68 C ATOM 940 O HIS A 124 -7.015 26.557 11.033 1.00 14.64 O ATOM 941 CB HIS A 124 -6.310 29.418 12.758 1.00 21.21 C ATOM 942 CG HIS A 124 -5.543 29.697 11.507 1.00 26.48 C ATOM 943 ND1 HIS A 124 -6.078 29.793 10.263 1.00 29.99 N ATOM 944 CD2 HIS A 124 -4.201 29.907 11.365 1.00 30.29 C ATOM 945 CE1 HIS A 124 -5.112 30.016 9.389 1.00 33.03 C ATOM 946 NE2 HIS A 124 -3.969 30.115 10.036 1.00 31.57 N ATOM 947 N LEU A 125 -6.057 26.248 13.090 1.00 13.33 N ATOM 948 CA LEU A 125 -5.455 24.962 12.660 1.00 11.64 C ATOM 949 C LEU A 125 -6.505 23.911 12.337 1.00 12.20 C ATOM 950 O LEU A 125 -6.351 23.091 11.385 1.00 12.00 O ATOM 951 CB LEU A 125 -4.383 24.547 13.655 1.00 11.39 C ATOM 952 CG LEU A 125 -3.170 25.474 13.775 1.00 14.48 C ATOM 953 CD1 LEU A 125 -2.299 24.956 14.942 1.00 20.67 C ATOM 954 CD2 LEU A 125 -2.340 25.310 12.536 1.00 18.62 C ATOM 955 N ARG A 126 -7.558 23.962 13.160 1.00 11.84 N ATOM 956 CA ARG A 126 -8.672 22.985 12.937 1.00 13.07 C ATOM 957 C ARG A 126 -9.273 23.162 11.525 1.00 11.66 C ATOM 958 O ARG A 126 -9.567 22.176 10.855 1.00 11.69 O ATOM 959 CB ARG A 126 -9.795 23.167 13.949 1.00 16.76 C ATOM 960 CG ARG A 126 -9.483 22.729 15.368 1.00 23.72 C ATOM 961 CD ARG A 126 -9.013 21.334 15.439 1.00 25.75 C ATOM 962 NE ARG A 126 -9.182 20.812 16.791 1.00 36.46 N ATOM 963 CZ ARG A 126 -9.009 19.495 16.992 1.00 42.05 C ATOM 964 NH1 ARG A 126 -8.689 18.617 16.039 1.00 41.48 N ATOM 965 NH2 ARG A 126 -9.226 19.104 18.245 1.00 51.05 N ATOM 966 N LYS A 127 -9.422 24.407 11.168 1.00 12.78 N ATOM 967 CA LYS A 127 -9.994 24.682 9.796 1.00 14.03 C ATOM 968 C LYS A 127 -9.099 24.105 8.720 1.00 13.12 C ATOM 969 O LYS A 127 -9.545 23.495 7.724 1.00 12.96 O ATOM 970 CB LYS A 127 -10.166 26.200 9.664 1.00 23.45 C ATOM 971 CG LYS A 127 -11.377 26.629 10.536 1.00 37.34 C ATOM 972 CD LYS A 127 -11.592 28.140 10.569 1.00 42.83 C ATOM 973 CE LYS A 127 -12.845 28.448 11.399 1.00 47.25 C ATOM 974 NZ LYS A 127 -13.415 29.773 11.033 1.00 52.62 N ATOM 975 N SER A 128 -7.782 24.339 8.889 1.00 12.28 N ATOM 976 CA SER A 128 -6.821 23.861 7.880 1.00 11.21 C ATOM 977 C SER A 128 -6.857 22.340 7.838 1.00 10.17 C ATOM 978 O SER A 128 -6.745 21.809 6.723 1.00 10.28 O ATOM 979 CB SER A 128 -5.425 24.409 8.036 1.00 8.23 C ATOM 980 OG SER A 128 -5.439 25.825 8.029 1.00 17.23 O ATOM 981 N GLU A 129 -6.972 21.714 9.017 1.00 9.46 N ATOM 982 CA GLU A 129 -6.968 20.260 9.017 1.00 9.80 C ATOM 983 C GLU A 129 -8.158 19.712 8.248 1.00 10.74 C ATOM 984 O GLU A 129 -8.030 18.710 7.527 1.00 12.45 O ATOM 985 CB GLU A 129 -7.076 19.740 10.463 1.00 9.45 C ATOM 986 CG GLU A 129 -6.880 18.244 10.617 1.00 11.14 C ATOM 987 CD GLU A 129 -6.971 17.792 12.073 1.00 15.91 C ATOM 988 OE1 GLU A 129 -8.007 18.177 12.596 1.00 17.79 O ATOM 989 OE2 GLU A 129 -6.132 17.128 12.607 1.00 17.93 O ATOM 990 N ALA A 130 -9.277 20.337 8.481 1.00 10.65 N ATOM 991 CA ALA A 130 -10.564 19.937 7.857 1.00 11.57 C ATOM 992 C ALA A 130 -10.403 19.966 6.337 1.00 12.27 C ATOM 993 O ALA A 130 -10.849 19.039 5.662 1.00 13.62 O ATOM 994 CB ALA A 130 -11.664 20.918 8.273 1.00 15.61 C ATOM 995 N GLN A 131 -9.795 21.044 5.878 1.00 12.42 N ATOM 996 CA GLN A 131 -9.539 21.242 4.439 1.00 12.59 C ATOM 997 C GLN A 131 -8.615 20.167 3.936 1.00 13.02 C ATOM 998 O GLN A 131 -8.941 19.563 2.902 1.00 13.34 O ATOM 999 CB GLN A 131 -9.122 22.651 4.026 1.00 13.65 C ATOM 1000 CG GLN A 131 -9.129 22.845 2.508 1.00 18.11 C ATOM 1001 CD GLN A 131 -10.464 22.702 1.839 1.00 25.31 C ATOM 1002 OE1 GLN A 131 -10.557 22.334 0.659 1.00 24.23 O ATOM 1003 NE2 GLN A 131 -11.553 23.005 2.549 1.00 24.56 N ATOM 1004 N ALA A 132 -7.530 19.850 4.632 1.00 12.46 N ATOM 1005 CA ALA A 132 -6.619 18.820 4.180 1.00 12.63 C ATOM 1006 C ALA A 132 -7.366 17.476 4.092 1.00 13.98 C ATOM 1007 O ALA A 132 -7.082 16.646 3.224 1.00 14.28 O ATOM 1008 CB ALA A 132 -5.448 18.694 5.180 1.00 11.78 C ATOM 1009 N LYS A 133 -8.272 17.328 5.042 1.00 14.47 N ATOM 1010 CA LYS A 133 -9.053 16.057 5.124 1.00 16.78 C ATOM 1011 C LYS A 133 -9.972 15.948 3.904 1.00 17.15 C ATOM 1012 O LYS A 133 -10.033 14.903 3.246 1.00 17.76 O ATOM 1013 CB LYS A 133 -9.867 16.011 6.418 1.00 21.94 C ATOM 1014 CG LYS A 133 -10.053 14.577 6.946 1.00 40.34 C ATOM 1015 CD LYS A 133 -10.806 14.593 8.280 1.00 48.93 C ATOM 1016 CE LYS A 133 -11.282 13.194 8.652 1.00 58.51 C ATOM 1017 NZ LYS A 133 -12.502 12.802 7.882 1.00 61.24 N ATOM 1018 N LYS A 134 -10.622 17.069 3.657 1.00 17.69 N ATOM 1019 CA LYS A 134 -11.571 17.140 2.494 1.00 18.99 C ATOM 1020 C LYS A 134 -10.776 16.876 1.239 1.00 18.92 C ATOM 1021 O LYS A 134 -11.334 16.234 0.318 1.00 20.33 O ATOM 1022 CB LYS A 134 -12.347 18.375 2.553 1.00 21.14 C ATOM 1023 CG LYS A 134 -13.498 18.816 1.733 1.00 34.06 C ATOM 1024 CD LYS A 134 -13.809 20.322 1.982 1.00 45.04 C ATOM 1025 CE LYS A 134 -14.221 20.591 3.421 1.00 51.74 C ATOM 1026 NZ LYS A 134 -13.618 21.806 4.026 1.00 49.22 N ATOM 1027 N GLU A 135 -9.509 17.249 1.161 1.00 17.76 N ATOM 1028 CA GLU A 135 -8.702 17.009 -0.043 1.00 16.49 C ATOM 1029 C GLU A 135 -8.017 15.668 -0.032 1.00 16.18 C ATOM 1030 O GLU A 135 -7.289 15.364 -1.013 1.00 16.81 O ATOM 1031 CB GLU A 135 -7.667 18.115 -0.295 1.00 7.97 C ATOM 1032 CG GLU A 135 -8.332 19.508 -0.390 1.00 5.90 C ATOM 1033 CD GLU A 135 -7.406 20.652 -0.468 1.00 8.58 C ATOM 1034 OE1 GLU A 135 -6.169 20.435 -0.528 1.00 14.49 O ATOM 1035 OE2 GLU A 135 -7.815 21.803 -0.468 1.00 10.75 O ATOM 1036 N LYS A 136 -8.229 14.897 1.018 1.00 15.76 N ATOM 1037 CA LYS A 136 -7.578 13.571 1.095 1.00 16.91 C ATOM 1038 C LYS A 136 -6.085 13.655 0.848 1.00 17.28 C ATOM 1039 O LYS A 136 -5.447 12.843 0.112 1.00 18.05 O ATOM 1040 CB LYS A 136 -8.239 12.672 0.039 1.00 18.56 C ATOM 1041 CG LYS A 136 -9.733 12.506 0.299 1.00 19.59 C ATOM 1042 CD LYS A 136 -10.189 11.300 -0.535 1.00 39.25 C ATOM 1043 CE LYS A 136 -11.595 10.849 -0.171 1.00 53.20 C ATOM 1044 NZ LYS A 136 -11.662 10.470 1.280 1.00 59.34 N ATOM 1045 N LEU A 137 -5.436 14.641 1.477 1.00 16.54 N ATOM 1046 CA LEU A 137 -4.016 14.849 1.281 1.00 17.93 C ATOM 1047 C LEU A 137 -3.169 14.004 2.236 1.00 17.88 C ATOM 1048 O LEU A 137 -3.459 13.983 3.441 1.00 18.03 O ATOM 1049 CB LEU A 137 -3.721 16.346 1.458 1.00 20.55 C ATOM 1050 CG LEU A 137 -3.591 17.280 0.299 1.00 24.03 C ATOM 1051 CD1 LEU A 137 -3.197 18.672 0.851 1.00 20.70 C ATOM 1052 CD2 LEU A 137 -2.490 16.842 -0.668 1.00 25.39 C ATOM 1053 N ASN A 138 -2.123 13.464 1.664 1.00 18.18 N ATOM 1054 CA ASN A 138 -1.099 12.702 2.406 1.00 19.26 C ATOM 1055 C ASN A 138 -1.662 11.853 3.507 1.00 20.15 C ATOM 1056 O ASN A 138 -2.268 10.811 3.220 1.00 20.65 O ATOM 1057 CB ASN A 138 -0.096 13.777 2.928 1.00 19.88 C ATOM 1058 CG ASN A 138 0.626 14.372 1.721 1.00 26.63 C ATOM 1059 OD1 ASN A 138 1.071 13.596 0.836 1.00 27.21 O ATOM 1060 ND2 ASN A 138 0.759 15.700 1.646 1.00 18.73 N ATOM 1061 N ILE A 139 -1.504 12.290 4.740 1.00 20.11 N ATOM 1062 CA ILE A 139 -2.063 11.550 5.859 1.00 22.34 C ATOM 1063 C ILE A 139 -3.528 11.242 5.650 1.00 23.36 C ATOM 1064 O ILE A 139 -3.920 10.149 6.099 1.00 24.59 O ATOM 1065 CB ILE A 139 -1.800 12.415 7.133 1.00 28.10 C ATOM 1066 CG1 ILE A 139 -0.396 11.997 7.619 1.00 24.16 C ATOM 1067 CG2 ILE A 139 -2.890 12.473 8.196 1.00 32.10 C ATOM 1068 CD1 ILE A 139 0.176 13.142 8.542 1.00 40.54 C ATOM 1069 N TRP A 140 -4.333 12.124 5.106 1.00 23.72 N ATOM 1070 CA TRP A 140 -5.771 11.870 4.937 1.00 24.51 C ATOM 1071 C TRP A 140 -6.093 11.051 3.696 1.00 26.10 C ATOM 1072 O TRP A 140 -7.304 10.862 3.462 1.00 27.03 O ATOM 1073 CB TRP A 140 -6.610 13.159 4.936 1.00 21.64 C ATOM 1074 CG TRP A 140 -6.251 13.983 6.139 1.00 24.53 C ATOM 1075 CD1 TRP A 140 -5.507 15.115 6.189 1.00 15.82 C ATOM 1076 CD2 TRP A 140 -6.579 13.650 7.500 1.00 26.61 C ATOM 1077 NE1 TRP A 140 -5.390 15.535 7.477 1.00 17.30 N ATOM 1078 CE2 TRP A 140 -6.036 14.664 8.307 1.00 25.57 C ATOM 1079 CE3 TRP A 140 -7.279 12.591 8.085 1.00 29.42 C ATOM 1080 CZ2 TRP A 140 -6.184 14.685 9.690 1.00 29.91 C ATOM 1081 CZ3 TRP A 140 -7.421 12.596 9.450 1.00 31.16 C ATOM 1082 CH2 TRP A 140 -6.887 13.620 10.245 1.00 34.99 C ATOM 1083 N SER A 141 -5.079 10.628 2.972 1.00 27.00 N ATOM 1084 CA SER A 141 -5.271 9.836 1.767 1.00 28.64 C ATOM 1085 C SER A 141 -5.434 8.340 2.193 1.00 30.01 C ATOM 1086 O SER A 141 -6.056 7.712 1.288 1.00 32.45 O ATOM 1087 CB SER A 141 -4.220 9.933 0.709 1.00 25.17 C ATOM 1088 OG SER A 141 -3.004 9.309 1.074 1.00 33.42 O TER 1089 SER A 141 HETATM 1090 O HOH A 200 3.872 35.527 22.418 1.00 23.77 O HETATM 1091 O HOH A 201 6.547 34.947 21.718 1.00 15.04 O HETATM 1092 O HOH A 202 8.882 34.652 9.971 1.00 12.52 O HETATM 1093 O HOH A 203 6.288 37.609 10.357 1.00 38.24 O HETATM 1094 O HOH A 204 16.186 33.682 11.245 1.00 12.66 O HETATM 1095 O HOH A 205 17.503 31.059 10.402 1.00 16.18 O HETATM 1096 O HOH A 206 17.959 35.137 16.033 1.00 34.34 O HETATM 1097 O HOH A 207 19.571 34.235 19.235 1.00 39.78 O HETATM 1098 O HOH A 208 18.637 21.656 9.667 1.00 30.06 O HETATM 1099 O HOH A 209 8.563 13.941 11.254 1.00 25.30 O HETATM 1100 O HOH A 210 7.778 14.130 13.969 1.00 43.01 O HETATM 1101 O HOH A 211 4.666 14.541 16.681 1.00 24.77 O HETATM 1102 O HOH A 212 -12.020 24.578 6.815 1.00 21.85 O HETATM 1103 O HOH A 213 15.588 23.238 24.920 1.00 20.22 O HETATM 1104 O HOH A 214 14.457 24.013 28.635 1.00 37.41 O HETATM 1105 O HOH A 215 17.967 33.552 7.551 1.00 26.78 O HETATM 1106 O HOH A 216 -1.517 23.333 23.176 1.00 17.67 O HETATM 1107 O HOH A 217 -0.618 21.180 21.531 1.00 18.32 O HETATM 1108 O HOH A 218 3.574 28.643 24.536 1.00 10.76 O HETATM 1109 O HOH A 219 9.088 35.583 25.275 1.00 64.43 O HETATM 1110 O HOH A 220 7.822 16.621 2.284 1.00 32.55 O HETATM 1111 O HOH A 221 1.041 23.976 3.577 1.00 24.64 O HETATM 1112 O HOH A 222 5.206 7.639 3.554 1.00 49.00 O HETATM 1113 O HOH A 223 10.803 31.299 2.114 1.00 61.83 O HETATM 1114 O HOH A 224 10.318 28.469 3.749 1.00 29.97 O HETATM 1115 O HOH A 225 10.721 37.000 5.120 1.00 23.34 O HETATM 1116 O HOH A 226 7.629 15.117 19.939 1.00 32.21 O HETATM 1117 O HOH A 227 0.009 34.222 29.852 1.00 38.16 O HETATM 1118 O HOH A 228 -1.808 31.106 31.117 1.00 27.53 O HETATM 1119 O HOH A 229 -2.208 13.032 -1.032 1.00 26.82 O HETATM 1120 O HOH A 230 4.554 22.329 30.773 1.00 17.08 O HETATM 1121 O HOH A 231 2.630 21.009 33.656 1.00 30.08 O HETATM 1122 O HOH A 232 0.799 31.323 8.137 1.00 35.69 O HETATM 1123 O HOH A 233 1.170 28.643 6.856 1.00 17.08 O HETATM 1124 O HOH A 234 21.829 19.031 17.648 1.00 46.44 O HETATM 1125 O HOH A 235 -3.923 27.634 4.653 1.00 49.32 O HETATM 1126 O HOH A 236 -0.616 26.778 4.338 1.00 25.53 O HETATM 1127 O HOH A 237 10.538 38.954 14.910 1.00 33.37 O HETATM 1128 O HOH A 238 16.479 29.914 7.801 1.00 25.42 O HETATM 1129 O HOH A 239 17.456 18.291 21.404 1.00 32.23 O HETATM 1130 O HOH A 240 -3.969 17.667 8.425 1.00 13.21 O HETATM 1131 O HOH A 241 -7.824 19.818 22.980 1.00 43.04 O HETATM 1132 O HOH A 242 3.442 18.720 23.590 1.00 46.33 O HETATM 1133 O HOH A 243 -8.563 29.009 18.686 1.00 21.57 O HETATM 1134 O HOH A 244 -7.727 29.900 15.800 1.00 29.45 O HETATM 1135 O HOH A 245 13.573 18.971 2.849 1.00 59.28 O HETATM 1136 O HOH A 246 15.810 35.777 20.342 1.00 35.58 O HETATM 1137 O HOH A 247 2.191 20.336 21.545 1.00 39.10 O HETATM 1138 O HOH A 248 9.477 38.776 9.689 1.00 46.28 O HETATM 1139 O HOH A 249 -1.390 30.365 9.335 1.00 37.39 O HETATM 1140 O HOH A 250 -6.588 26.746 2.213 1.00 46.86 O HETATM 1141 O HOH A 251 -2.278 15.114 20.701 1.00 35.06 O HETATM 1142 O HOH A 252 -3.168 20.335 29.181 1.00 43.38 O HETATM 1143 O HOH A 253 10.166 17.634 33.589 1.00 56.26 O HETATM 1144 O HOH A 254 5.664 14.445 21.392 1.00 38.26 O HETATM 1145 O HOH A 255 3.234 11.156 16.360 1.00 52.24 O HETATM 1146 O HOH A 256 9.891 37.348 2.753 1.00 36.46 O HETATM 1147 O HOH A 257 9.780 33.124 27.514 1.00 46.09 O HETATM 1148 O HOH A 258 8.301 22.497 32.136 1.00 31.01 O HETATM 1149 O HOH A 259 11.692 22.309 31.956 1.00 56.37 O HETATM 1150 O HOH A 260 15.114 19.399 25.626 1.00 47.77 O HETATM 1151 O HOH A 261 -5.648 32.670 15.990 1.00 45.42 O HETATM 1152 O HOH A 262 -13.662 27.002 14.333 1.00 54.65 O HETATM 1153 O HOH A 263 -10.601 19.933 11.779 1.00 37.78 O HETATM 1154 O HOH A 264 -6.657 15.856 14.753 1.00 41.94 O HETATM 1155 O HOH A 265 8.254 22.628 2.517 1.00 38.94 O HETATM 1156 O HOH A 266 -7.189 20.554 19.688 1.00 42.20 O HETATM 1157 O HOH A 267 12.876 18.259 10.167 1.00 42.52 O HETATM 1158 O HOH A 268 1.160 7.816 9.332 1.00 41.53 O MASTER 274 0 0 3 6 10 0 6 1157 1 0 12 END