HEADER HYDROLASE 05-MAY-00 1EYD TITLE STRUCTURE OF WILD-TYPE S. NUCLEASE AT 1.7 A RESOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; COMPND 3 CHAIN: A; COMPND 4 EC: 3.1.31.1; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; SOURCE 3 ORGANISM_TAXID: 1280; SOURCE 4 STRAIN: FOGGI; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR J.CHEN,Z.LU,J.SAKON,W.E.STITES REVDAT 2 24-FEB-09 1EYD 1 VERSN REVDAT 1 18-OCT-00 1EYD 0 JRNL AUTH J.CHEN,Z.LU,J.SAKON,W.E.STITES JRNL TITL INCREASING THE THERMOSTABILITY OF STAPHYLOCOCCAL JRNL TITL 2 NUCLEASE: IMPLICATIONS FOR THE ORIGIN OF PROTEIN JRNL TITL 3 THERMOSTABILITY. JRNL REF J.MOL.BIOL. V. 303 125 2000 JRNL REFN ISSN 0022-2836 JRNL PMID 11023780 JRNL DOI 10.1006/JMBI.2000.4140 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : SHELXL-97 REMARK 3 AUTHORS : G.M.SHELDRICK REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 6.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 94.4 REMARK 3 CROSS-VALIDATION METHOD : FREE R REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (NO CUTOFF). REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : 0.208 REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL REMARK 3 FREE R VALUE (NO CUTOFF) : 0.277 REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : 773 REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 14691 REMARK 3 REMARK 3 FIT/AGREEMENT OF MODEL FOR DATA WITH F>4SIG(F). REMARK 3 R VALUE (WORKING + TEST SET, F>4SIG(F)) : 0.187 REMARK 3 R VALUE (WORKING SET, F>4SIG(F)) : NULL REMARK 3 FREE R VALUE (F>4SIG(F)) : 0.255 REMARK 3 FREE R VALUE TEST SET SIZE (%, F>4SIG(F)) : 5.400 REMARK 3 FREE R VALUE TEST SET COUNT (F>4SIG(F)) : 623 REMARK 3 TOTAL NUMBER OF REFLECTIONS (F>4SIG(F)) : 11608 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1116 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 67 REMARK 3 REMARK 3 MODEL REFINEMENT. REMARK 3 OCCUPANCY SUM OF NON-HYDROGEN ATOMS : 1159.00 REMARK 3 OCCUPANCY SUM OF HYDROGEN ATOMS : 0.00 REMARK 3 NUMBER OF DISCRETELY DISORDERED RESIDUES : 10 REMARK 3 NUMBER OF LEAST-SQUARES PARAMETERS : 4749 REMARK 3 NUMBER OF RESTRAINTS : 4548 REMARK 3 REMARK 3 RMS DEVIATIONS FROM RESTRAINT TARGET VALUES. REMARK 3 BOND LENGTHS (A) : 0.007 REMARK 3 ANGLE DISTANCES (A) : 0.023 REMARK 3 SIMILAR DISTANCES (NO TARGET VALUES) (A) : 0.000 REMARK 3 DISTANCES FROM RESTRAINT PLANES (A) : 0.026 REMARK 3 ZERO CHIRAL VOLUMES (A**3) : 0.040 REMARK 3 NON-ZERO CHIRAL VOLUMES (A**3) : 0.050 REMARK 3 ANTI-BUMPING DISTANCE RESTRAINTS (A) : 0.005 REMARK 3 RIGID-BOND ADP COMPONENTS (A**2) : 0.000 REMARK 3 SIMILAR ADP COMPONENTS (A**2) : 0.158 REMARK 3 APPROXIMATELY ISOTROPIC ADPS (A**2) : 0.000 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED: MOEWS & KRETSINGER, J.MOL.BIOL.91(1973)201-228 REMARK 3 REMARK 3 STEREOCHEMISTRY TARGET VALUES : ENGH AND HUBER REMARK 3 SPECIAL CASE: NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1EYD COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-MAY-00. REMARK 100 THE RCSB ID CODE IS RCSB011022. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 297 REMARK 200 PH : 7.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RUH3R REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK 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: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: AB INITIO REMARK 200 SOFTWARE USED: SHELX REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 43.49 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.00 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: MPD, SODIUM PHOSPHATE BUFFER, PH REMARK 280 7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K 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 31.89350 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 15.94675 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 47.84025 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: 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 LEU A 38 3.85 82.59 REMARK 500 LYS A 45 60.57 -119.25 REMARK 500 TYR A 54 -1.90 83.68 REMARK 500 ASN A 119 20.55 -144.20 REMARK 500 ASN A 138 -102.87 51.85 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 263 DISTANCE = 5.59 ANGSTROMS REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1EY0 RELATED DB: PDB REMARK 900 S. NUCLEASE WILD TYPE, 1.60A RESOLUTION REMARK 900 RELATED ID: 1EY4 RELATED DB: PDB REMARK 900 S. NUCLEASE S59A MUTATION, 1.60A RESOLUTION REMARK 900 RELATED ID: 1EY5 RELATED DB: PDB REMARK 900 S. NUCLEASE T33V, 1.70A RESOLUTION REMARK 900 RELATED ID: 1EY6 RELATED DB: PDB REMARK 900 S. NUCLEASE T41I MUTATION, 1.75A RESOLUTION REMARK 900 RELATED ID: 1EY7 RELATED DB: PDB REMARK 900 S. NUCLEASE S128A MUTATION, 1.88A RESOLUTION REMARK 900 RELATED ID: 1EY8 RELATED DB: PDB REMARK 900 S. NUCLEASE P117G/H124L/S128A MUTATION, 1.75A RESOLUTION REMARK 900 RELATED ID: 1EY9 RELATED DB: PDB REMARK 900 S. NUCLEASE T41I/P117G/H124L/S128A MUTATION, 1.72A REMARK 900 RESOLUTION REMARK 900 RELATED ID: 1EYA RELATED DB: PDB REMARK 900 S. NUCLEASE T33V/T41I/P117G/H124L/S128A MUTATION, 2.00A REMARK 900 RESOLUTION REMARK 900 RELATED ID: 1EYC RELATED DB: PDB REMARK 900 S. NUCLEASE T41I/S59A/P117G/H124L/S128A MUTATION, 1.85A REMARK 900 RESOLUTION REMARK 900 RELATED ID: 1EZ6 RELATED DB: PDB REMARK 900 S. NUCLEASE T33V/T41I/S59A/P117G/H124L/S128A MUTATION, REMARK 900 1.90A RESOLUTION REMARK 900 RELATED ID: 1EZ8 RELATED DB: PDB REMARK 900 S. NUCLEASE T33V MUTATION, 1.85A RESOLUTION DBREF 1EYD A 1 149 UNP P00644 NUC_STAAU 83 231 SEQRES 1 A 149 ALA THR SER THR LYS LYS LEU HIS LYS GLU PRO ALA THR SEQRES 2 A 149 LEU ILE LYS ALA ILE ASP GLY ASP THR VAL LYS LEU MET SEQRES 3 A 149 TYR LYS GLY GLN PRO MET THR PHE ARG LEU LEU LEU VAL SEQRES 4 A 149 ASP THR PRO GLU THR LYS HIS PRO LYS LYS GLY VAL GLU SEQRES 5 A 149 LYS TYR GLY PRO GLU ALA SER ALA PHE THR LYS LYS MET SEQRES 6 A 149 VAL GLU ASN ALA LYS LYS ILE GLU VAL GLU PHE ASP LYS SEQRES 7 A 149 GLY GLN ARG THR ASP LYS TYR GLY ARG GLY LEU ALA TYR SEQRES 8 A 149 ILE TYR ALA ASP GLY LYS MET VAL ASN GLU ALA LEU VAL SEQRES 9 A 149 ARG GLN GLY LEU ALA LYS VAL ALA TYR VAL TYR LYS PRO SEQRES 10 A 149 ASN ASN THR HIS GLU GLN HIS LEU ARG LYS SER GLU ALA SEQRES 11 A 149 GLN ALA LYS LYS GLU LYS LEU ASN ILE TRP SER GLU ASP SEQRES 12 A 149 ASN ALA ASP SER GLY GLN FORMUL 2 HOH *67(H2 O) HELIX 1 1 TYR A 54 ASN A 68 1 15 HELIX 2 2 VAL A 99 GLN A 106 1 8 HELIX 3 3 HIS A 121 GLU A 135 1 15 HELIX 4 4 LEU A 137 SER A 141 5 5 SHEET 1 A 7 LYS A 97 MET A 98 0 SHEET 2 A 7 GLY A 88 ALA A 94 -1 N ALA A 94 O LYS A 97 SHEET 3 A 7 ILE A 72 PHE A 76 -1 O GLU A 73 N TYR A 93 SHEET 4 A 7 LYS A 9 ALA A 17 -1 O GLU A 10 N VAL A 74 SHEET 5 A 7 THR A 22 TYR A 27 -1 N LYS A 24 O LYS A 16 SHEET 6 A 7 GLN A 30 LEU A 36 -1 O GLN A 30 N TYR A 27 SHEET 7 A 7 GLY A 88 ALA A 94 1 O GLY A 88 N ARG A 35 SHEET 1 B 2 VAL A 39 ASP A 40 0 SHEET 2 B 2 LYS A 110 VAL A 111 -1 N LYS A 110 O ASP A 40 CISPEP 1 LYS A 116 PRO A 117 0 2.41 CRYST1 47.956 47.956 63.787 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 0.020852 0.000000 0.000000 0.00000 SCALE2 0.000000 0.020852 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015677 0.00000 ATOM 1 N LYS A 6 38.818 -2.274 -9.881 1.00 74.96 N ATOM 2 CA LYS A 6 38.943 -1.983 -8.457 1.00 57.86 C ATOM 3 C LYS A 6 38.261 -0.674 -8.076 1.00 47.00 C ATOM 4 O LYS A 6 38.608 0.405 -8.555 1.00 63.31 O ATOM 5 CB LYS A 6 40.420 -1.930 -8.059 1.00 51.11 C ATOM 6 CG LYS A 6 41.262 -3.060 -8.629 1.00117.03 C ATOM 7 CD LYS A 6 42.677 -2.606 -8.955 1.00125.02 C ATOM 8 CE LYS A 6 43.679 -3.734 -8.758 1.00111.84 C ATOM 9 NZ LYS A 6 44.523 -3.953 -9.965 1.00 70.39 N ATOM 10 N LEU A 7 37.270 -0.745 -7.190 1.00 37.47 N ATOM 11 CA LEU A 7 36.557 0.489 -6.850 1.00 34.47 C ATOM 12 C LEU A 7 37.469 1.411 -6.049 1.00 49.03 C ATOM 13 O LEU A 7 38.375 0.953 -5.353 1.00 54.79 O ATOM 14 CB LEU A 7 35.285 0.181 -6.074 1.00 39.20 C ATOM 15 CG LEU A 7 34.243 -0.756 -6.681 1.00 41.39 C ATOM 16 CD1 LEU A 7 32.925 -0.565 -5.952 1.00 30.03 C ATOM 17 CD2 LEU A 7 34.051 -0.530 -8.174 1.00 36.93 C ATOM 18 N HIS A 8 37.235 2.715 -6.135 1.00 36.42 N ATOM 19 CA HIS A 8 37.975 3.647 -5.278 1.00 43.06 C ATOM 20 C HIS A 8 37.040 4.706 -4.700 1.00 32.61 C ATOM 21 O HIS A 8 36.007 5.071 -5.267 1.00 32.86 O ATOM 22 CB HIS A 8 39.134 4.269 -6.048 1.00 37.81 C ATOM 23 CG HIS A 8 38.707 5.022 -7.266 1.00 48.11 C ATOM 24 ND1 HIS A 8 38.924 6.373 -7.426 1.00 71.67 N ATOM 25 CD2 HIS A 8 38.069 4.615 -8.388 1.00102.45 C ATOM 26 CE1 HIS A 8 38.440 6.762 -8.593 1.00 96.67 C ATOM 27 NE2 HIS A 8 37.914 5.713 -9.199 1.00 98.44 N ATOM 28 N LYS A 9 37.383 5.210 -3.515 1.00 27.52 N ATOM 29 CA LYS A 9 36.591 6.268 -2.888 1.00 25.60 C ATOM 30 C LYS A 9 37.126 7.625 -3.326 1.00 45.11 C ATOM 31 O LYS A 9 38.331 7.842 -3.485 1.00 47.18 O ATOM 32 CB LYS A 9 36.606 6.110 -1.374 1.00 27.75 C ATOM 33 CG LYS A 9 35.956 4.861 -0.805 1.00 37.27 C ATOM 34 CD LYS A 9 36.412 4.614 0.625 1.00 38.26 C ATOM 35 CE LYS A 9 35.866 3.319 1.194 1.00 38.29 C ATOM 36 NZ LYS A 9 36.346 2.116 0.466 1.00 52.04 N ATOM 37 N GLU A 10 36.240 8.593 -3.547 1.00 29.86 N ATOM 38 CA GLU A 10 36.692 9.951 -3.827 1.00 20.97 C ATOM 39 C GLU A 10 36.014 10.911 -2.848 1.00 22.91 C ATOM 40 O GLU A 10 34.867 10.685 -2.446 1.00 24.97 O ATOM 41 CB GLU A 10 36.371 10.349 -5.262 1.00 40.84 C ATOM 42 CG GLU A 10 37.050 9.451 -6.310 1.00 44.12 C ATOM 43 CD GLU A 10 36.278 9.498 -7.618 1.00 52.37 C ATOM 44 OE1 GLU A 10 36.184 10.598 -8.202 1.00 51.90 O ATOM 45 OE2 GLU A 10 35.748 8.460 -8.062 1.00 50.82 O ATOM 46 N PRO A 11 36.676 11.987 -2.482 1.00 29.81 N ATOM 47 CA PRO A 11 36.054 12.903 -1.498 1.00 34.82 C ATOM 48 C PRO A 11 34.903 13.681 -2.098 1.00 33.07 C ATOM 49 O PRO A 11 34.799 13.906 -3.316 1.00 27.26 O ATOM 50 CB PRO A 11 37.210 13.853 -1.156 1.00 36.70 C ATOM 51 CG PRO A 11 38.016 13.885 -2.418 1.00 32.24 C ATOM 52 CD PRO A 11 37.983 12.463 -2.928 1.00 29.19 C ATOM 53 N ALA A 12 33.987 14.141 -1.254 1.00 20.07 N ATOM 54 CA ALA A 12 32.884 14.963 -1.697 1.00 18.68 C ATOM 55 C ALA A 12 32.436 15.861 -0.549 1.00 26.78 C ATOM 56 O ALA A 12 32.859 15.594 0.579 1.00 27.84 O ATOM 57 CB ALA A 12 31.710 14.110 -2.159 1.00 25.06 C ATOM 58 N THR A 13 31.624 16.865 -0.811 1.00 26.89 N ATOM 59 CA THR A 13 31.184 17.721 0.303 1.00 29.99 C ATOM 60 C THR A 13 29.679 17.799 0.367 1.00 27.36 C ATOM 61 O THR A 13 28.973 17.965 -0.644 1.00 25.55 O ATOM 62 CB THR A 13 31.768 19.143 0.194 1.00 42.23 C ATOM 63 OG1 THR A 13 33.193 19.063 0.101 1.00 30.88 O ATOM 64 CG2 THR A 13 31.433 19.937 1.451 1.00 27.48 C ATOM 65 N LEU A 14 29.128 17.683 1.588 1.00 22.03 N ATOM 66 CA LEU A 14 27.670 17.703 1.649 1.00 21.60 C ATOM 67 C LEU A 14 27.093 19.031 1.200 1.00 27.92 C ATOM 68 O LEU A 14 27.528 20.135 1.513 1.00 35.72 O ATOM 69 CB LEU A 14 27.174 17.347 3.064 1.00 23.65 C ATOM 70 CG LEU A 14 25.664 17.442 3.270 1.00 24.65 C ATOM 71 CD1 LEU A 14 24.902 16.372 2.511 1.00 24.65 C ATOM 72 CD2 LEU A 14 25.340 17.335 4.759 1.00 35.43 C ATOM 73 N ILE A 15 26.020 18.961 0.400 1.00 25.72 N ATOM 74 CA ILE A 15 25.311 20.199 0.117 1.00 25.76 C ATOM 75 C ILE A 15 24.001 20.102 0.900 1.00 35.10 C ATOM 76 O ILE A 15 23.745 20.940 1.753 1.00 32.08 O ATOM 77 CB ILE A 15 25.009 20.483 -1.354 1.00 34.00 C ATOM 78 CG1 ILE A 15 26.249 20.771 -2.209 1.00 33.03 C ATOM 79 CG2 ILE A 15 24.008 21.632 -1.456 1.00 34.19 C ATOM 80 CD1 ILE A 15 25.933 20.776 -3.691 1.00 33.06 C ATOM 81 N LYS A 16 23.223 19.060 0.620 1.00 23.80 N ATOM 82 CA LYS A 16 21.977 18.902 1.390 1.00 38.88 C ATOM 83 C LYS A 16 21.472 17.483 1.305 1.00 40.01 C ATOM 84 O LYS A 16 21.476 16.806 0.272 1.00 26.42 O ATOM 85 CB LYS A 16 21.009 19.952 0.862 1.00 44.90 C ATOM 86 CG LYS A 16 19.524 19.699 0.925 1.00 35.61 C ATOM 87 CD LYS A 16 18.786 20.919 0.364 1.00 37.40 C ATOM 88 CE LYS A 16 17.285 20.844 0.519 1.00 57.34 C ATOM 89 NZ LYS A 16 16.853 20.001 1.665 1.00 63.72 N ATOM 90 N ALA A 17 21.015 16.927 2.430 1.00 24.12 N ATOM 91 CA ALA A 17 20.345 15.633 2.310 1.00 20.48 C ATOM 92 C ALA A 17 18.929 15.857 1.809 1.00 23.72 C ATOM 93 O ALA A 17 18.231 16.788 2.223 1.00 33.06 O ATOM 94 CB ALA A 17 20.342 14.916 3.646 1.00 31.31 C ATOM 95 N ILE A 18 18.447 15.011 0.903 1.00 26.19 N ATOM 96 CA ILE A 18 17.160 15.286 0.288 1.00 22.95 C ATOM 97 C ILE A 18 16.080 14.323 0.727 1.00 30.57 C ATOM 98 O ILE A 18 14.938 14.721 0.852 1.00 30.35 O ATOM 99 CB ILE A 18 17.284 15.208 -1.255 1.00 27.48 C ATOM 100 CG1 ILE A 18 18.024 16.419 -1.836 1.00 43.16 C ATOM 101 CG2 ILE A 18 15.920 15.008 -1.870 1.00 29.63 C ATOM 102 CD1 ILE A 18 18.633 16.168 -3.198 1.00 51.48 C ATOM 103 N ASP A 19 16.438 13.060 0.923 1.00 24.85 N ATOM 104 CA ASP A 19 15.519 12.015 1.314 1.00 20.96 C ATOM 105 C ASP A 19 16.344 10.864 1.885 1.00 17.16 C ATOM 106 O ASP A 19 17.565 10.993 1.956 1.00 26.84 O ATOM 107 CB ASP A 19 14.689 11.526 0.125 1.00 28.90 C ATOM 108 CG ASP A 19 13.283 11.111 0.485 1.00 44.92 C ATOM 109 OD1 ASP A 19 12.946 11.150 1.686 1.00 41.60 O ATOM 110 OD2 ASP A 19 12.513 10.749 -0.429 1.00 51.46 O ATOM 111 N GLY A 20 15.705 9.774 2.252 1.00 17.61 N ATOM 112 CA GLY A 20 16.449 8.636 2.787 1.00 20.11 C ATOM 113 C GLY A 20 17.489 8.123 1.810 1.00 40.99 C ATOM 114 O GLY A 20 18.567 7.680 2.204 1.00 23.06 O ATOM 115 N ASP A 21 17.157 8.186 0.521 1.00 20.37 N ATOM 116 CA ASP A 21 17.924 7.481 -0.499 1.00 22.62 C ATOM 117 C ASP A 21 18.619 8.447 -1.452 1.00 19.51 C ATOM 118 O ASP A 21 19.269 7.971 -2.399 1.00 25.88 O ATOM 119 CB ASP A 21 16.974 6.530 -1.253 1.00 24.80 C ATOM 120 CG ASP A 21 15.994 7.261 -2.143 1.00 36.03 C ATOM 121 OD1 ASP A 21 15.903 8.511 -2.118 1.00 35.43 O ATOM 122 OD2 ASP A 21 15.278 6.581 -2.907 1.00 40.82 O ATOM 123 N THR A 22 18.531 9.737 -1.211 1.00 18.09 N ATOM 124 CA THR A 22 19.138 10.772 -2.058 1.00 19.14 C ATOM 125 C THR A 22 19.799 11.895 -1.288 1.00 20.23 C ATOM 126 O THR A 22 19.210 12.461 -0.361 1.00 25.91 O ATOM 127 CB THR A 22 18.018 11.325 -2.972 1.00 25.55 C ATOM 128 OG1 THR A 22 17.410 10.206 -3.641 1.00 25.51 O ATOM 129 CG2 THR A 22 18.580 12.220 -4.046 1.00 27.31 C ATOM 130 N VAL A 23 21.025 12.237 -1.659 1.00 20.11 N ATOM 131 CA VAL A 23 21.755 13.366 -1.117 1.00 19.19 C ATOM 132 C VAL A 23 22.398 14.202 -2.222 1.00 30.06 C ATOM 133 O VAL A 23 22.900 13.680 -3.216 1.00 27.82 O ATOM 134 CB VAL A 23 22.889 12.897 -0.185 1.00 22.34 C ATOM 135 CG1AVAL A 23 22.306 12.062 0.950 0.60 21.25 C ATOM 136 CG1BVAL A 23 23.487 14.044 0.605 0.40 18.16 C ATOM 137 CG2AVAL A 23 23.942 12.122 -0.970 0.60 15.85 C ATOM 138 CG2BVAL A 23 22.382 11.811 0.760 0.40 43.71 C ATOM 139 N LYS A 24 22.408 15.507 -2.047 1.00 22.45 N ATOM 140 CA LYS A 24 23.112 16.380 -2.979 1.00 19.90 C ATOM 141 C LYS A 24 24.506 16.658 -2.458 1.00 25.38 C ATOM 142 O LYS A 24 24.645 17.048 -1.294 1.00 28.96 O ATOM 143 CB LYS A 24 22.351 17.683 -3.172 1.00 26.32 C ATOM 144 CG LYS A 24 22.529 18.362 -4.515 1.00 46.54 C ATOM 145 CD LYS A 24 21.259 18.284 -5.347 1.00 95.39 C ATOM 146 CE LYS A 24 20.575 19.638 -5.448 1.00104.34 C ATOM 147 NZ LYS A 24 19.261 19.533 -6.142 1.00 61.16 N ATOM 148 N LEU A 25 25.531 16.471 -3.286 1.00 18.51 N ATOM 149 CA LEU A 25 26.912 16.631 -2.869 1.00 18.17 C ATOM 150 C LEU A 25 27.652 17.532 -3.857 1.00 30.69 C ATOM 151 O LEU A 25 27.279 17.617 -5.027 1.00 27.32 O ATOM 152 CB LEU A 25 27.686 15.313 -2.800 1.00 22.22 C ATOM 153 CG LEU A 25 27.050 14.127 -2.090 1.00 29.34 C ATOM 154 CD1 LEU A 25 27.917 12.887 -2.268 1.00 22.73 C ATOM 155 CD2 LEU A 25 26.817 14.421 -0.615 1.00 27.07 C ATOM 156 N MET A 26 28.701 18.189 -3.384 1.00 23.54 N ATOM 157 CA MET A 26 29.621 18.829 -4.318 1.00 23.77 C ATOM 158 C MET A 26 30.669 17.794 -4.690 1.00 24.50 C ATOM 159 O MET A 26 31.446 17.324 -3.853 1.00 29.66 O ATOM 160 CB MET A 26 30.302 20.071 -3.740 1.00 33.56 C ATOM 161 CG MET A 26 31.008 20.923 -4.785 1.00 54.25 C ATOM 162 SD MET A 26 29.908 21.927 -5.799 1.00 54.47 S ATOM 163 CE MET A 26 28.667 22.453 -4.636 1.00 34.98 C ATOM 164 N TYR A 27 30.703 17.424 -5.967 1.00 32.12 N ATOM 165 CA TYR A 27 31.633 16.370 -6.383 1.00 27.30 C ATOM 166 C TYR A 27 32.510 16.922 -7.500 1.00 33.10 C ATOM 167 O TYR A 27 31.981 17.362 -8.522 1.00 28.70 O ATOM 168 CB TYR A 27 30.872 15.119 -6.819 1.00 26.22 C ATOM 169 CG TYR A 27 31.750 14.050 -7.437 1.00 27.72 C ATOM 170 CD1 TYR A 27 32.702 13.359 -6.708 1.00 29.21 C ATOM 171 CD2 TYR A 27 31.620 13.718 -8.783 1.00 33.29 C ATOM 172 CE1 TYR A 27 33.503 12.381 -7.269 1.00 36.59 C ATOM 173 CE2 TYR A 27 32.414 12.747 -9.361 1.00 35.16 C ATOM 174 CZ TYR A 27 33.353 12.081 -8.609 1.00 38.96 C ATOM 175 OH TYR A 27 34.140 11.115 -9.189 1.00 35.71 O ATOM 176 N LYS A 28 33.811 16.944 -7.295 1.00 33.20 N ATOM 177 CA LYS A 28 34.722 17.471 -8.314 1.00 42.95 C ATOM 178 C LYS A 28 34.324 18.875 -8.752 1.00 52.59 C ATOM 179 O LYS A 28 34.384 19.196 -9.937 1.00 39.24 O ATOM 180 CB LYS A 28 34.768 16.544 -9.530 1.00 50.11 C ATOM 181 CG LYS A 28 35.718 15.373 -9.344 1.00 42.16 C ATOM 182 CD LYS A 28 35.328 14.187 -10.206 1.00 88.22 C ATOM 183 CE LYS A 28 36.447 13.808 -11.162 1.00 81.52 C ATOM 184 NZ LYS A 28 36.092 12.615 -11.980 1.00 67.12 N ATOM 185 N GLY A 29 33.923 19.666 -7.772 1.00 28.10 N ATOM 186 CA GLY A 29 33.564 21.047 -7.855 1.00 29.59 C ATOM 187 C GLY A 29 32.217 21.358 -8.459 1.00 48.85 C ATOM 188 O GLY A 29 31.995 22.519 -8.812 1.00 38.54 O ATOM 189 N GLN A 30 31.348 20.362 -8.562 1.00 55.43 N ATOM 190 CA GLN A 30 30.024 20.504 -9.144 1.00 58.91 C ATOM 191 C GLN A 30 28.894 19.965 -8.268 1.00 29.38 C ATOM 192 O GLN A 30 29.024 18.853 -7.750 1.00 32.77 O ATOM 193 CB GLN A 30 29.981 19.738 -10.473 1.00 38.22 C ATOM 194 CG GLN A 30 29.444 20.554 -11.639 1.00111.05 C ATOM 195 CD GLN A 30 29.315 19.729 -12.905 1.00140.67 C ATOM 196 OE1 GLN A 30 30.289 19.139 -13.372 1.00149.52 O ATOM 197 NE2 GLN A 30 28.109 19.688 -13.459 1.00157.91 N ATOM 198 N PRO A 31 27.803 20.697 -8.139 1.00 40.31 N ATOM 199 CA PRO A 31 26.661 20.176 -7.378 1.00 31.18 C ATOM 200 C PRO A 31 26.122 18.967 -8.139 1.00 61.07 C ATOM 201 O PRO A 31 25.974 19.035 -9.361 1.00 33.26 O ATOM 202 CB PRO A 31 25.638 21.301 -7.388 1.00 30.48 C ATOM 203 CG PRO A 31 26.420 22.512 -7.779 1.00 48.36 C ATOM 204 CD PRO A 31 27.505 22.025 -8.703 1.00 43.03 C ATOM 205 N MET A 32 25.847 17.881 -7.440 1.00 24.29 N ATOM 206 CA MET A 32 25.267 16.707 -8.100 1.00 26.28 C ATOM 207 C MET A 32 24.317 16.047 -7.103 1.00 28.08 C ATOM 208 O MET A 32 24.640 16.045 -5.910 1.00 26.25 O ATOM 209 CB MET A 32 26.358 15.750 -8.541 1.00 19.44 C ATOM 210 CG AMET A 32 25.918 14.523 -9.313 0.64 32.00 C ATOM 211 CG BMET A 32 26.751 15.784 -10.002 0.36 43.22 C ATOM 212 SD AMET A 32 27.293 13.882 -10.300 0.64 54.77 S ATOM 213 SD BMET A 32 28.274 14.868 -10.305 0.36 46.93 S ATOM 214 CE AMET A 32 26.571 12.376 -10.934 0.64 58.77 C ATOM 215 CE BMET A 32 27.752 13.187 -9.988 0.36 35.08 C ATOM 216 N THR A 33 23.205 15.536 -7.568 1.00 20.98 N ATOM 217 CA THR A 33 22.319 14.647 -6.821 1.00 20.99 C ATOM 218 C THR A 33 22.785 13.201 -6.914 1.00 36.46 C ATOM 219 O THR A 33 23.039 12.698 -8.015 1.00 26.65 O ATOM 220 CB THR A 33 20.886 14.817 -7.354 1.00 25.42 C ATOM 221 OG1 THR A 33 20.610 16.231 -7.306 1.00 27.77 O ATOM 222 CG2 THR A 33 19.842 14.141 -6.490 1.00 22.13 C ATOM 223 N PHE A 34 22.923 12.518 -5.778 1.00 18.20 N ATOM 224 CA PHE A 34 23.368 11.138 -5.704 1.00 23.02 C ATOM 225 C PHE A 34 22.200 10.296 -5.212 1.00 26.20 C ATOM 226 O PHE A 34 21.528 10.686 -4.263 1.00 24.13 O ATOM 227 CB PHE A 34 24.599 10.902 -4.790 1.00 16.43 C ATOM 228 CG PHE A 34 25.896 11.283 -5.500 1.00 16.65 C ATOM 229 CD1 PHE A 34 26.306 12.605 -5.543 1.00 18.44 C ATOM 230 CD2 PHE A 34 26.656 10.291 -6.110 1.00 19.82 C ATOM 231 CE1 PHE A 34 27.474 12.938 -6.195 1.00 33.18 C ATOM 232 CE2 PHE A 34 27.819 10.642 -6.774 1.00 17.25 C ATOM 233 CZ PHE A 34 28.224 11.957 -6.822 1.00 22.59 C ATOM 234 N ARG A 35 21.970 9.183 -5.885 1.00 15.70 N ATOM 235 CA ARG A 35 21.025 8.164 -5.482 1.00 17.51 C ATOM 236 C ARG A 35 21.860 7.073 -4.814 1.00 28.32 C ATOM 237 O ARG A 35 22.878 6.623 -5.341 1.00 21.64 O ATOM 238 CB ARG A 35 20.255 7.635 -6.687 1.00 18.48 C ATOM 239 CG ARG A 35 19.487 6.338 -6.478 1.00 21.43 C ATOM 240 CD ARG A 35 18.255 6.617 -5.644 1.00 27.10 C ATOM 241 NE ARG A 35 17.219 5.595 -5.589 1.00 28.66 N ATOM 242 CZ ARG A 35 17.224 4.514 -4.825 1.00 24.89 C ATOM 243 NH1 ARG A 35 18.263 4.290 -4.024 1.00 23.05 N ATOM 244 NH2 ARG A 35 16.221 3.650 -4.843 1.00 25.54 N ATOM 245 N LEU A 36 21.514 6.594 -3.625 1.00 19.05 N ATOM 246 CA LEU A 36 22.310 5.538 -3.022 1.00 16.28 C ATOM 247 C LEU A 36 22.085 4.193 -3.723 1.00 13.39 C ATOM 248 O LEU A 36 20.933 3.757 -3.798 1.00 22.67 O ATOM 249 CB LEU A 36 21.889 5.359 -1.554 1.00 25.83 C ATOM 250 CG LEU A 36 22.108 6.456 -0.514 1.00 28.22 C ATOM 251 CD1ALEU A 36 21.509 6.028 0.831 0.68 22.19 C ATOM 252 CD1BLEU A 36 22.953 5.952 0.648 0.32 18.39 C ATOM 253 CD2ALEU A 36 23.575 6.787 -0.316 0.68 18.84 C ATOM 254 CD2BLEU A 36 22.737 7.703 -1.121 0.32 20.09 C ATOM 255 N LEU A 37 23.156 3.590 -4.189 1.00 17.50 N ATOM 256 CA LEU A 37 23.082 2.292 -4.869 1.00 19.24 C ATOM 257 C LEU A 37 22.535 1.180 -3.984 1.00 35.93 C ATOM 258 O LEU A 37 22.958 1.103 -2.839 1.00 22.29 O ATOM 259 CB LEU A 37 24.468 1.874 -5.361 1.00 18.76 C ATOM 260 CG LEU A 37 24.836 2.121 -6.825 1.00 36.42 C ATOM 261 CD1 LEU A 37 26.281 1.758 -7.124 1.00 23.41 C ATOM 262 CD2 LEU A 37 23.897 1.332 -7.722 1.00 28.64 C ATOM 263 N LEU A 38 21.660 0.359 -4.530 1.00 19.59 N ATOM 264 CA LEU A 38 21.351 -0.985 -4.069 1.00 17.35 C ATOM 265 C LEU A 38 20.349 -0.948 -2.925 1.00 19.56 C ATOM 266 O LEU A 38 20.014 -1.986 -2.359 1.00 26.85 O ATOM 267 CB LEU A 38 22.626 -1.716 -3.666 1.00 21.92 C ATOM 268 CG LEU A 38 23.567 -2.173 -4.783 1.00 36.42 C ATOM 269 CD1 LEU A 38 24.589 -3.187 -4.283 1.00 30.75 C ATOM 270 CD2 LEU A 38 22.778 -2.772 -5.939 1.00 30.33 C ATOM 271 N VAL A 39 19.867 0.240 -2.589 1.00 21.05 N ATOM 272 CA VAL A 39 18.883 0.235 -1.487 1.00 24.23 C ATOM 273 C VAL A 39 17.609 0.965 -1.831 1.00 22.01 C ATOM 274 O VAL A 39 17.596 1.979 -2.524 1.00 37.77 O ATOM 275 CB VAL A 39 19.472 0.886 -0.211 1.00 33.35 C ATOM 276 CG1 VAL A 39 20.825 0.262 0.107 1.00 28.34 C ATOM 277 CG2 VAL A 39 19.576 2.385 -0.371 1.00 26.76 C ATOM 278 N ASP A 40 16.495 0.464 -1.323 1.00 21.79 N ATOM 279 CA ASP A 40 15.246 1.188 -1.409 1.00 26.71 C ATOM 280 C ASP A 40 14.814 1.594 0.002 1.00 34.46 C ATOM 281 O ASP A 40 14.621 0.671 0.804 1.00 29.50 O ATOM 282 CB ASP A 40 14.123 0.349 -2.013 1.00 39.67 C ATOM 283 CG ASP A 40 14.177 0.177 -3.514 1.00 80.38 C ATOM 284 OD1 ASP A 40 14.452 1.152 -4.245 1.00 48.89 O ATOM 285 OD2 ASP A 40 13.934 -0.954 -3.992 1.00 81.29 O ATOM 286 N THR A 41 14.665 2.880 0.251 1.00 26.24 N ATOM 287 CA THR A 41 14.111 3.360 1.507 1.00 26.89 C ATOM 288 C THR A 41 12.654 3.759 1.324 1.00 27.72 C ATOM 289 O THR A 41 12.286 4.144 0.215 1.00 43.17 O ATOM 290 CB THR A 41 14.811 4.606 2.079 1.00 24.85 C ATOM 291 OG1 THR A 41 14.749 5.660 1.107 1.00 39.02 O ATOM 292 CG2 THR A 41 16.283 4.359 2.329 1.00 26.15 C ATOM 293 N PRO A 42 11.872 3.710 2.390 1.00 36.09 N ATOM 294 CA PRO A 42 10.540 4.331 2.304 1.00 35.82 C ATOM 295 C PRO A 42 10.806 5.802 2.005 1.00 37.59 C ATOM 296 O PRO A 42 11.789 6.353 2.522 1.00 36.49 O ATOM 297 CB PRO A 42 9.932 4.105 3.680 1.00 39.79 C ATOM 298 CG PRO A 42 10.763 3.044 4.320 1.00 36.92 C ATOM 299 CD PRO A 42 12.132 3.122 3.710 1.00 29.43 C ATOM 300 N GLU A 43 10.015 6.475 1.175 1.00 35.22 N ATOM 301 CA GLU A 43 10.429 7.847 0.857 1.00 58.78 C ATOM 302 C GLU A 43 9.489 8.872 1.483 1.00 45.37 C ATOM 303 O GLU A 43 8.394 8.532 1.921 1.00 35.94 O ATOM 304 CB GLU A 43 10.531 8.046 -0.658 1.00 34.58 C ATOM 305 CG GLU A 43 11.393 6.995 -1.354 1.00 35.73 C ATOM 306 CD GLU A 43 11.124 6.958 -2.848 1.00 70.18 C ATOM 307 OE1 GLU A 43 11.188 8.034 -3.478 1.00 41.99 O ATOM 308 OE2 GLU A 43 10.848 5.867 -3.393 1.00 48.34 O ATOM 309 N THR A 44 9.970 10.116 1.512 1.00 35.37 N ATOM 310 CA THR A 44 9.131 11.222 1.937 1.00 31.97 C ATOM 311 C THR A 44 8.516 11.864 0.688 1.00 74.05 C ATOM 312 O THR A 44 7.434 12.440 0.758 1.00 36.63 O ATOM 313 CB THR A 44 9.878 12.306 2.728 1.00 37.69 C ATOM 314 OG1 THR A 44 11.117 12.601 2.083 1.00 43.23 O ATOM 315 CG2 THR A 44 10.203 11.807 4.132 1.00 44.34 C ATOM 316 N LYS A 45 9.247 11.732 -0.418 1.00 40.27 N ATOM 317 CA LYS A 45 8.798 12.274 -1.697 1.00 60.70 C ATOM 318 C LYS A 45 8.641 11.147 -2.714 1.00 70.65 C ATOM 319 O LYS A 45 9.308 11.134 -3.748 1.00 52.26 O ATOM 320 CB LYS A 45 9.758 13.336 -2.243 1.00 63.05 C ATOM 321 CG LYS A 45 11.004 13.546 -1.406 1.00 73.39 C ATOM 322 CD LYS A 45 11.454 14.994 -1.403 1.00 46.51 C ATOM 323 CE LYS A 45 12.136 15.362 -2.712 1.00 77.01 C ATOM 324 NZ LYS A 45 12.442 16.818 -2.808 1.00 63.54 N ATOM 325 N HIS A 46 7.762 10.200 -2.405 1.00 54.04 N ATOM 326 CA HIS A 46 7.461 9.116 -3.332 1.00 68.63 C ATOM 327 C HIS A 46 6.621 9.650 -4.498 1.00 50.11 C ATOM 328 O HIS A 46 5.683 10.411 -4.252 1.00 47.57 O ATOM 329 CB HIS A 46 6.710 7.970 -2.650 1.00 62.69 C ATOM 330 CG HIS A 46 6.334 6.874 -3.603 1.00 78.18 C ATOM 331 ND1 HIS A 46 5.213 6.925 -4.398 1.00 63.14 N ATOM 332 CD2 HIS A 46 6.942 5.703 -3.902 1.00 67.30 C ATOM 333 CE1 HIS A 46 5.137 5.833 -5.136 1.00 74.97 C ATOM 334 NE2 HIS A 46 6.180 5.071 -4.853 1.00 62.19 N ATOM 335 N PRO A 47 6.989 9.232 -5.701 1.00 82.56 N ATOM 336 CA PRO A 47 6.309 9.648 -6.928 1.00 94.44 C ATOM 337 C PRO A 47 4.792 9.680 -6.797 1.00 76.12 C ATOM 338 O PRO A 47 4.153 10.657 -7.194 1.00 59.98 O ATOM 339 CB PRO A 47 6.720 8.547 -7.915 1.00102.28 C ATOM 340 CG PRO A 47 8.088 8.153 -7.469 1.00 92.95 C ATOM 341 CD PRO A 47 8.114 8.315 -5.977 1.00 71.18 C ATOM 342 N LYS A 48 4.206 8.624 -6.237 1.00 59.02 N ATOM 343 CA LYS A 48 2.749 8.544 -6.174 1.00 58.54 C ATOM 344 C LYS A 48 2.182 8.650 -4.767 1.00 56.30 C ATOM 345 O LYS A 48 1.066 9.147 -4.585 1.00 54.14 O ATOM 346 CB LYS A 48 2.299 7.224 -6.819 1.00 67.24 C ATOM 347 CG LYS A 48 2.341 7.245 -8.340 1.00 72.03 C ATOM 348 CD LYS A 48 3.699 6.800 -8.857 1.00 80.15 C ATOM 349 CE LYS A 48 3.587 6.163 -10.232 1.00102.11 C ATOM 350 NZ LYS A 48 3.391 4.688 -10.157 1.00 79.15 N ATOM 351 N LYS A 49 2.918 8.186 -3.763 1.00 77.98 N ATOM 352 CA LYS A 49 2.407 8.104 -2.401 1.00 79.89 C ATOM 353 C LYS A 49 2.870 9.230 -1.493 1.00 79.91 C ATOM 354 O LYS A 49 2.202 9.526 -0.493 1.00 60.71 O ATOM 355 CB LYS A 49 2.817 6.759 -1.779 1.00 78.14 C ATOM 356 CG LYS A 49 2.527 6.664 -0.290 1.00103.08 C ATOM 357 CD LYS A 49 1.060 6.920 0.014 1.00113.80 C ATOM 358 CE LYS A 49 0.632 6.217 1.293 1.00117.50 C ATOM 359 NZ LYS A 49 -0.011 4.905 1.007 1.00135.17 N ATOM 360 N GLY A 50 3.995 9.886 -1.775 1.00 70.63 N ATOM 361 CA GLY A 50 4.405 10.956 -0.873 1.00 84.14 C ATOM 362 C GLY A 50 5.079 10.456 0.386 1.00 76.30 C ATOM 363 O GLY A 50 6.233 10.032 0.326 1.00 60.89 O ATOM 364 N VAL A 51 4.421 10.487 1.545 1.00 51.53 N ATOM 365 CA VAL A 51 5.090 10.105 2.785 1.00 75.41 C ATOM 366 C VAL A 51 4.805 8.687 3.250 1.00 60.51 C ATOM 367 O VAL A 51 3.821 8.446 3.955 1.00 58.34 O ATOM 368 CB VAL A 51 4.677 11.030 3.956 1.00 50.16 C ATOM 369 CG1 VAL A 51 5.263 10.486 5.253 1.00 74.77 C ATOM 370 CG2 VAL A 51 5.106 12.463 3.711 1.00 44.55 C ATOM 371 N GLU A 52 5.645 7.707 2.916 1.00 35.67 N ATOM 372 CA GLU A 52 5.336 6.365 3.411 1.00 40.20 C ATOM 373 C GLU A 52 5.849 6.121 4.827 1.00 48.18 C ATOM 374 O GLU A 52 6.609 6.921 5.373 1.00 39.78 O ATOM 375 CB GLU A 52 5.923 5.304 2.484 1.00 44.36 C ATOM 376 CG GLU A 52 6.077 5.716 1.030 1.00 35.23 C ATOM 377 CD GLU A 52 7.016 4.761 0.306 1.00 40.03 C ATOM 378 OE1 GLU A 52 8.195 5.129 0.140 1.00 44.27 O ATOM 379 OE2 GLU A 52 6.588 3.652 -0.077 1.00 47.70 O ATOM 380 N LYS A 53 5.434 4.998 5.396 1.00 38.38 N ATOM 381 CA LYS A 53 5.781 4.580 6.745 1.00 50.62 C ATOM 382 C LYS A 53 7.269 4.259 6.892 1.00 45.95 C ATOM 383 O LYS A 53 7.792 3.422 6.154 1.00 44.38 O ATOM 384 CB LYS A 53 4.946 3.346 7.122 1.00 45.11 C ATOM 385 CG LYS A 53 5.353 2.721 8.447 1.00 71.03 C ATOM 386 CD LYS A 53 4.160 2.127 9.179 1.00 67.70 C ATOM 387 CE LYS A 53 4.071 2.656 10.602 1.00 88.45 C ATOM 388 NZ LYS A 53 4.715 3.995 10.728 1.00119.52 N ATOM 389 N TYR A 54 7.935 4.898 7.840 1.00 37.89 N ATOM 390 CA TYR A 54 9.364 4.827 8.092 1.00 30.79 C ATOM 391 C TYR A 54 10.128 5.792 7.183 1.00 34.94 C ATOM 392 O TYR A 54 11.351 5.901 7.299 1.00 36.15 O ATOM 393 CB TYR A 54 9.942 3.414 7.939 1.00 31.40 C ATOM 394 CG TYR A 54 9.515 2.540 9.105 1.00 29.92 C ATOM 395 CD1 TYR A 54 10.124 2.680 10.345 1.00 39.19 C ATOM 396 CD2 TYR A 54 8.501 1.606 8.951 1.00 42.24 C ATOM 397 CE1 TYR A 54 9.734 1.891 11.413 1.00 52.70 C ATOM 398 CE2 TYR A 54 8.106 0.815 10.017 1.00 50.13 C ATOM 399 CZ TYR A 54 8.726 0.965 11.241 1.00 52.81 C ATOM 400 OH TYR A 54 8.336 0.178 12.303 1.00 59.76 O ATOM 401 N GLY A 55 9.438 6.503 6.301 1.00 32.65 N ATOM 402 CA GLY A 55 10.111 7.481 5.449 1.00 25.48 C ATOM 403 C GLY A 55 10.748 8.602 6.232 1.00 33.49 C ATOM 404 O GLY A 55 11.930 8.919 6.033 1.00 30.19 O ATOM 405 N PRO A 56 10.024 9.281 7.115 1.00 28.83 N ATOM 406 CA PRO A 56 10.676 10.353 7.890 1.00 27.67 C ATOM 407 C PRO A 56 11.858 9.795 8.680 1.00 18.97 C ATOM 408 O PRO A 56 12.894 10.450 8.800 1.00 25.66 O ATOM 409 CB PRO A 56 9.557 10.842 8.806 1.00 36.01 C ATOM 410 CG PRO A 56 8.294 10.471 8.091 1.00 33.40 C ATOM 411 CD PRO A 56 8.593 9.145 7.434 1.00 29.73 C ATOM 412 N GLU A 57 11.694 8.573 9.190 1.00 25.83 N ATOM 413 CA GLU A 57 12.788 7.988 9.962 1.00 30.43 C ATOM 414 C GLU A 57 14.005 7.667 9.103 1.00 34.08 C ATOM 415 O GLU A 57 15.140 7.948 9.486 1.00 27.55 O ATOM 416 CB GLU A 57 12.316 6.713 10.670 1.00 33.30 C ATOM 417 CG GLU A 57 11.460 7.010 11.898 1.00 39.07 C ATOM 418 CD GLU A 57 9.982 7.109 11.599 1.00 51.56 C ATOM 419 OE1 GLU A 57 9.591 7.286 10.425 1.00 41.08 O ATOM 420 OE2 GLU A 57 9.183 7.008 12.556 1.00 68.17 O ATOM 421 N ALA A 58 13.785 7.067 7.925 1.00 27.96 N ATOM 422 CA ALA A 58 14.945 6.788 7.061 1.00 27.21 C ATOM 423 C ALA A 58 15.594 8.091 6.646 1.00 22.12 C ATOM 424 O ALA A 58 16.806 8.285 6.617 1.00 23.41 O ATOM 425 CB ALA A 58 14.481 5.948 5.883 1.00 24.28 C ATOM 426 N SER A 59 14.757 9.082 6.318 1.00 23.87 N ATOM 427 CA SER A 59 15.295 10.379 5.915 1.00 22.33 C ATOM 428 C SER A 59 16.093 11.061 7.014 1.00 34.31 C ATOM 429 O SER A 59 17.149 11.644 6.766 1.00 25.64 O ATOM 430 CB SER A 59 14.128 11.284 5.478 1.00 26.44 C ATOM 431 OG SER A 59 14.652 12.559 5.158 1.00 33.49 O ATOM 432 N ALA A 60 15.620 11.007 8.257 1.00 31.88 N ATOM 433 CA ALA A 60 16.366 11.625 9.359 1.00 24.00 C ATOM 434 C ALA A 60 17.662 10.881 9.619 1.00 16.63 C ATOM 435 O ALA A 60 18.668 11.489 9.971 1.00 24.21 O ATOM 436 CB ALA A 60 15.506 11.658 10.622 1.00 27.35 C ATOM 437 N PHE A 61 17.620 9.560 9.437 1.00 20.79 N ATOM 438 CA PHE A 61 18.839 8.763 9.678 1.00 25.87 C ATOM 439 C PHE A 61 19.941 9.151 8.710 1.00 26.38 C ATOM 440 O PHE A 61 21.099 9.357 9.049 1.00 18.71 O ATOM 441 CB PHE A 61 18.491 7.276 9.578 1.00 23.85 C ATOM 442 CG PHE A 61 19.632 6.335 9.915 1.00 32.90 C ATOM 443 CD1 PHE A 61 20.557 5.933 8.965 1.00 24.55 C ATOM 444 CD2 PHE A 61 19.765 5.858 11.213 1.00 31.92 C ATOM 445 CE1 PHE A 61 21.607 5.089 9.259 1.00 27.78 C ATOM 446 CE2 PHE A 61 20.828 5.013 11.515 1.00 33.26 C ATOM 447 CZ PHE A 61 21.746 4.627 10.556 1.00 38.29 C ATOM 448 N THR A 62 19.594 9.233 7.415 1.00 26.78 N ATOM 449 CA THR A 62 20.587 9.616 6.412 1.00 23.10 C ATOM 450 C THR A 62 21.105 11.026 6.621 1.00 17.51 C ATOM 451 O THR A 62 22.284 11.355 6.564 1.00 23.90 O ATOM 452 CB THR A 62 19.946 9.490 5.004 1.00 20.56 C ATOM 453 OG1 THR A 62 19.635 8.108 4.765 1.00 18.72 O ATOM 454 CG2 THR A 62 20.962 9.954 3.967 1.00 29.64 C ATOM 455 N LYS A 63 20.174 11.938 6.897 1.00 20.87 N ATOM 456 CA LYS A 63 20.579 13.331 7.107 1.00 23.03 C ATOM 457 C LYS A 63 21.560 13.462 8.265 1.00 32.57 C ATOM 458 O LYS A 63 22.608 14.103 8.187 1.00 27.38 O ATOM 459 CB LYS A 63 19.319 14.155 7.379 1.00 27.55 C ATOM 460 CG LYS A 63 19.586 15.587 7.842 1.00 29.30 C ATOM 461 CD LYS A 63 18.257 16.228 8.238 1.00 44.52 C ATOM 462 CE LYS A 63 18.283 17.711 7.877 1.00 65.77 C ATOM 463 NZ LYS A 63 19.187 18.456 8.793 1.00 49.17 N ATOM 464 N LYS A 64 21.209 12.845 9.402 1.00 24.32 N ATOM 465 CA LYS A 64 22.086 12.971 10.569 1.00 20.56 C ATOM 466 C LYS A 64 23.452 12.384 10.307 1.00 23.14 C ATOM 467 O LYS A 64 24.516 12.852 10.691 1.00 27.47 O ATOM 468 CB LYS A 64 21.504 12.214 11.779 1.00 31.52 C ATOM 469 CG LYS A 64 20.629 13.077 12.669 1.00 63.35 C ATOM 470 CD LYS A 64 19.306 12.391 12.973 1.00 80.42 C ATOM 471 CE LYS A 64 18.132 13.241 12.507 1.00 96.46 C ATOM 472 NZ LYS A 64 18.557 14.268 11.516 1.00 98.69 N ATOM 473 N MET A 65 23.397 11.236 9.611 1.00 23.54 N ATOM 474 CA MET A 65 24.678 10.570 9.361 1.00 26.12 C ATOM 475 C MET A 65 25.556 11.386 8.437 1.00 25.27 C ATOM 476 O MET A 65 26.762 11.508 8.655 1.00 28.30 O ATOM 477 CB MET A 65 24.377 9.194 8.780 1.00 35.83 C ATOM 478 CG MET A 65 25.605 8.301 8.795 1.00 34.55 C ATOM 479 SD MET A 65 25.113 6.638 8.323 1.00 30.17 S ATOM 480 CE MET A 65 26.732 5.900 8.116 1.00 30.12 C ATOM 481 N VAL A 66 24.984 12.005 7.394 1.00 20.07 N ATOM 482 CA VAL A 66 25.921 12.801 6.568 1.00 17.35 C ATOM 483 C VAL A 66 26.197 14.178 7.136 1.00 23.32 C ATOM 484 O VAL A 66 27.264 14.773 6.937 1.00 22.88 O ATOM 485 CB VAL A 66 25.431 12.865 5.101 1.00 24.80 C ATOM 486 CG1AVAL A 66 25.428 11.426 4.580 0.83 22.48 C ATOM 487 CG1BVAL A 66 23.926 13.050 5.028 0.17 21.40 C ATOM 488 CG2AVAL A 66 24.063 13.479 4.897 0.83 22.76 C ATOM 489 CG2BVAL A 66 26.173 13.974 4.381 0.17 10.75 C ATOM 490 N GLU A 67 25.259 14.734 7.894 1.00 26.18 N ATOM 491 CA GLU A 67 25.506 16.076 8.432 1.00 29.24 C ATOM 492 C GLU A 67 26.543 16.069 9.537 1.00 23.84 C ATOM 493 O GLU A 67 27.268 17.044 9.752 1.00 34.39 O ATOM 494 CB GLU A 67 24.169 16.648 8.927 1.00 30.37 C ATOM 495 CG GLU A 67 23.307 17.166 7.785 1.00 37.06 C ATOM 496 CD GLU A 67 22.081 17.934 8.210 1.00 49.69 C ATOM 497 OE1 GLU A 67 21.709 17.906 9.401 1.00 37.26 O ATOM 498 OE2 GLU A 67 21.460 18.568 7.329 1.00 34.89 O ATOM 499 N ASN A 68 26.627 14.963 10.275 1.00 26.74 N ATOM 500 CA ASN A 68 27.581 14.989 11.387 1.00 29.98 C ATOM 501 C ASN A 68 28.916 14.372 11.025 1.00 38.38 C ATOM 502 O ASN A 68 29.773 14.141 11.888 1.00 31.28 O ATOM 503 CB ASN A 68 26.934 14.294 12.591 1.00 32.18 C ATOM 504 CG ASN A 68 25.859 15.154 13.232 1.00 49.84 C ATOM 505 OD1 ASN A 68 24.686 14.777 13.239 1.00 65.92 O ATOM 506 ND2 ASN A 68 26.233 16.313 13.768 1.00 43.80 N ATOM 507 N ALA A 69 29.132 14.095 9.735 1.00 31.42 N ATOM 508 CA ALA A 69 30.402 13.496 9.319 1.00 28.46 C ATOM 509 C ALA A 69 31.501 14.548 9.184 1.00 27.46 C ATOM 510 O ALA A 69 31.222 15.710 8.879 1.00 36.05 O ATOM 511 CB ALA A 69 30.220 12.761 8.000 1.00 23.11 C ATOM 512 N LYS A 70 32.732 14.136 9.389 1.00 26.09 N ATOM 513 CA LYS A 70 33.949 14.847 9.129 1.00 34.47 C ATOM 514 C LYS A 70 34.344 14.701 7.651 1.00 23.74 C ATOM 515 O LYS A 70 34.774 15.675 7.045 1.00 26.78 O ATOM 516 CB LYS A 70 35.159 14.319 9.911 1.00 33.29 C ATOM 517 CG LYS A 70 34.924 14.120 11.396 1.00 63.68 C ATOM 518 CD LYS A 70 36.213 14.358 12.160 1.00 38.78 C ATOM 519 CE LYS A 70 37.237 13.262 11.890 1.00 33.26 C ATOM 520 NZ LYS A 70 38.318 13.272 12.926 1.00 28.08 N ATOM 521 N LYS A 71 34.212 13.476 7.145 1.00 25.52 N ATOM 522 CA LYS A 71 34.611 13.251 5.753 1.00 22.88 C ATOM 523 C LYS A 71 33.497 12.502 5.029 1.00 29.53 C ATOM 524 O LYS A 71 33.048 11.501 5.583 1.00 24.88 O ATOM 525 CB LYS A 71 35.892 12.433 5.661 1.00 22.70 C ATOM 526 CG LYS A 71 37.168 13.109 6.130 1.00 28.11 C ATOM 527 CD LYS A 71 38.260 12.073 6.344 1.00 29.81 C ATOM 528 CE LYS A 71 39.572 12.725 6.754 1.00 48.55 C ATOM 529 NZ LYS A 71 40.596 11.694 7.104 1.00 37.67 N ATOM 530 N ILE A 72 33.092 12.959 3.850 1.00 26.48 N ATOM 531 CA ILE A 72 32.152 12.172 3.032 1.00 20.83 C ATOM 532 C ILE A 72 32.942 11.637 1.829 1.00 22.34 C ATOM 533 O ILE A 72 33.731 12.423 1.282 1.00 24.20 O ATOM 534 CB ILE A 72 30.957 12.996 2.569 1.00 23.49 C ATOM 535 CG1 ILE A 72 30.032 13.481 3.703 1.00 25.45 C ATOM 536 CG2 ILE A 72 30.109 12.232 1.547 1.00 28.44 C ATOM 537 CD1AILE A 72 29.142 14.630 3.300 0.27 9.06 C ATOM 538 CD1BILE A 72 29.359 12.350 4.439 0.73 22.26 C ATOM 539 N GLU A 73 32.749 10.388 1.446 1.00 18.60 N ATOM 540 CA GLU A 73 33.444 9.850 0.269 1.00 17.78 C ATOM 541 C GLU A 73 32.395 9.167 -0.620 1.00 24.35 C ATOM 542 O GLU A 73 31.416 8.640 -0.106 1.00 24.80 O ATOM 543 CB GLU A 73 34.541 8.871 0.607 1.00 23.54 C ATOM 544 CG GLU A 73 35.694 9.561 1.345 1.00 24.16 C ATOM 545 CD GLU A 73 36.573 8.527 2.019 1.00 32.68 C ATOM 546 OE1 GLU A 73 36.048 7.750 2.840 1.00 30.42 O ATOM 547 OE2 GLU A 73 37.767 8.539 1.674 1.00 33.78 O ATOM 548 N VAL A 74 32.597 9.213 -1.937 1.00 22.53 N ATOM 549 CA VAL A 74 31.645 8.539 -2.826 1.00 19.10 C ATOM 550 C VAL A 74 32.451 7.454 -3.536 1.00 14.79 C ATOM 551 O VAL A 74 33.636 7.656 -3.795 1.00 25.00 O ATOM 552 CB VAL A 74 30.973 9.452 -3.861 1.00 30.72 C ATOM 553 CG1 VAL A 74 30.107 10.549 -3.240 1.00 28.60 C ATOM 554 CG2 VAL A 74 32.018 10.131 -4.728 1.00 32.24 C ATOM 555 N GLU A 75 31.773 6.350 -3.786 1.00 17.74 N ATOM 556 CA GLU A 75 32.360 5.186 -4.415 1.00 22.07 C ATOM 557 C GLU A 75 31.434 4.755 -5.559 1.00 22.47 C ATOM 558 O GLU A 75 30.351 4.256 -5.282 1.00 21.05 O ATOM 559 CB GLU A 75 32.503 4.053 -3.414 1.00 25.69 C ATOM 560 CG GLU A 75 33.173 2.776 -3.867 1.00 30.43 C ATOM 561 CD GLU A 75 33.329 1.769 -2.737 1.00 29.29 C ATOM 562 OE1 GLU A 75 32.308 1.346 -2.173 1.00 25.01 O ATOM 563 OE2 GLU A 75 34.478 1.422 -2.410 1.00 36.33 O ATOM 564 N PHE A 76 31.860 4.959 -6.808 1.00 25.67 N ATOM 565 CA PHE A 76 31.053 4.457 -7.926 1.00 25.62 C ATOM 566 C PHE A 76 31.252 2.957 -8.097 1.00 21.95 C ATOM 567 O PHE A 76 32.287 2.418 -7.706 1.00 27.25 O ATOM 568 CB PHE A 76 31.457 5.170 -9.216 1.00 24.24 C ATOM 569 CG PHE A 76 31.020 6.627 -9.273 1.00 23.06 C ATOM 570 CD1 PHE A 76 29.692 6.938 -9.462 1.00 19.04 C ATOM 571 CD2 PHE A 76 31.926 7.657 -9.151 1.00 28.00 C ATOM 572 CE1 PHE A 76 29.276 8.239 -9.520 1.00 18.35 C ATOM 573 CE2 PHE A 76 31.524 8.971 -9.201 1.00 30.95 C ATOM 574 CZ PHE A 76 30.185 9.273 -9.395 1.00 32.56 C ATOM 575 N ASP A 77 30.278 2.270 -8.676 1.00 17.61 N ATOM 576 CA ASP A 77 30.438 0.846 -8.975 1.00 17.46 C ATOM 577 C ASP A 77 31.029 0.660 -10.383 1.00 30.99 C ATOM 578 O ASP A 77 31.454 1.640 -10.983 1.00 24.83 O ATOM 579 CB ASP A 77 29.121 0.105 -8.876 1.00 17.76 C ATOM 580 CG ASP A 77 29.342 -1.352 -8.475 1.00 32.01 C ATOM 581 OD1 ASP A 77 30.330 -1.995 -8.882 1.00 29.55 O ATOM 582 OD2 ASP A 77 28.501 -1.874 -7.707 1.00 33.04 O ATOM 583 N LYS A 78 31.053 -0.564 -10.883 1.00 26.69 N ATOM 584 CA LYS A 78 31.735 -0.897 -12.130 1.00 30.40 C ATOM 585 C LYS A 78 30.927 -0.558 -13.380 1.00 31.07 C ATOM 586 O LYS A 78 31.508 -0.630 -14.467 1.00 33.58 O ATOM 587 CB LYS A 78 32.033 -2.402 -12.162 1.00 29.14 C ATOM 588 CG LYS A 78 33.072 -2.854 -11.147 1.00 43.68 C ATOM 589 CD LYS A 78 33.027 -4.369 -10.983 1.00 77.82 C ATOM 590 CE LYS A 78 34.388 -4.903 -10.565 1.00104.78 C ATOM 591 NZ LYS A 78 35.337 -3.799 -10.243 1.00 66.05 N ATOM 592 N GLY A 79 29.659 -0.219 -13.268 1.00 22.97 N ATOM 593 CA GLY A 79 28.706 -0.045 -14.355 1.00 23.88 C ATOM 594 C GLY A 79 28.401 1.425 -14.609 1.00 18.93 C ATOM 595 O GLY A 79 29.319 2.225 -14.442 1.00 27.19 O ATOM 596 N GLN A 80 27.170 1.738 -15.000 1.00 19.98 N ATOM 597 CA GLN A 80 26.801 3.110 -15.283 1.00 23.20 C ATOM 598 C GLN A 80 26.913 3.959 -14.011 1.00 21.28 C ATOM 599 O GLN A 80 26.496 3.411 -12.975 1.00 23.39 O ATOM 600 CB GLN A 80 25.354 3.222 -15.761 1.00 30.89 C ATOM 601 CG AGLN A 80 24.430 2.165 -15.191 0.66 41.26 C ATOM 602 CG BGLN A 80 24.935 2.241 -16.839 0.34 38.55 C ATOM 603 CD AGLN A 80 24.439 0.909 -16.047 0.66 33.89 C ATOM 604 CD BGLN A 80 23.466 2.416 -17.192 0.34 22.58 C ATOM 605 OE1AGLN A 80 25.257 0.020 -15.838 0.66 36.30 O ATOM 606 OE1BGLN A 80 22.882 1.592 -17.891 0.34 61.29 O ATOM 607 NE2AGLN A 80 23.534 0.854 -17.019 0.66 46.08 N ATOM 608 NE2BGLN A 80 22.879 3.501 -16.691 0.34 24.53 N ATOM 609 N ARG A 81 27.406 5.163 -14.125 1.00 21.94 N ATOM 610 CA ARG A 81 27.560 6.022 -12.939 1.00 19.14 C ATOM 611 C ARG A 81 26.432 7.016 -12.747 1.00 28.99 C ATOM 612 O ARG A 81 26.416 7.732 -11.728 1.00 25.73 O ATOM 613 CB ARG A 81 28.921 6.709 -13.008 1.00 20.76 C ATOM 614 CG AARG A 81 30.074 5.718 -13.074 0.63 23.02 C ATOM 615 CG BARG A 81 30.037 5.775 -13.462 0.37 35.20 C ATOM 616 CD AARG A 81 31.396 6.462 -13.237 0.63 18.33 C ATOM 617 CD BARG A 81 31.165 5.751 -12.450 0.37 44.38 C ATOM 618 NE AARG A 81 32.490 5.517 -13.428 0.63 46.22 N ATOM 619 NE BARG A 81 32.418 5.254 -12.989 0.37 43.45 N ATOM 620 CZ AARG A 81 33.773 5.816 -13.266 0.63 35.82 C ATOM 621 CZ BARG A 81 32.698 4.000 -13.309 0.37 24.07 C ATOM 622 NH1AARG A 81 34.117 7.047 -12.908 0.63 35.40 N ATOM 623 NH1BARG A 81 31.801 3.039 -13.156 0.37 14.02 N ATOM 624 NH2AARG A 81 34.687 4.880 -13.466 0.63 64.35 N ATOM 625 NH2BARG A 81 33.902 3.709 -13.794 0.37 31.96 N ATOM 626 N THR A 82 25.485 7.112 -13.682 1.00 27.96 N ATOM 627 CA THR A 82 24.329 8.017 -13.526 1.00 22.72 C ATOM 628 C THR A 82 23.065 7.300 -13.947 1.00 22.99 C ATOM 629 O THR A 82 23.059 6.351 -14.744 1.00 26.71 O ATOM 630 CB THR A 82 24.509 9.331 -14.309 1.00 34.15 C ATOM 631 OG1 THR A 82 24.538 9.054 -15.712 1.00 47.17 O ATOM 632 CG2 THR A 82 25.846 9.998 -14.024 1.00 26.82 C ATOM 633 N ASP A 83 21.891 7.642 -13.432 1.00 18.87 N ATOM 634 CA ASP A 83 20.663 6.991 -13.870 1.00 21.41 C ATOM 635 C ASP A 83 19.973 7.930 -14.872 1.00 17.63 C ATOM 636 O ASP A 83 20.537 8.970 -15.214 1.00 23.38 O ATOM 637 CB ASP A 83 19.706 6.666 -12.727 1.00 31.92 C ATOM 638 CG ASP A 83 19.203 7.858 -11.946 1.00 26.28 C ATOM 639 OD1 ASP A 83 19.346 9.024 -12.380 1.00 24.51 O ATOM 640 OD2 ASP A 83 18.603 7.697 -10.856 1.00 28.14 O ATOM 641 N LYS A 84 18.766 7.549 -15.248 1.00 23.34 N ATOM 642 CA LYS A 84 18.085 8.308 -16.310 1.00 47.15 C ATOM 643 C LYS A 84 17.646 9.688 -15.847 1.00 41.74 C ATOM 644 O LYS A 84 17.277 10.525 -16.670 1.00 29.73 O ATOM 645 CB LYS A 84 16.907 7.502 -16.855 1.00 25.14 C ATOM 646 CG LYS A 84 15.692 7.419 -15.946 1.00 30.20 C ATOM 647 CD LYS A 84 14.588 6.584 -16.576 1.00 37.51 C ATOM 648 CE LYS A 84 14.064 5.539 -15.607 1.00 69.17 C ATOM 649 NZ LYS A 84 12.769 5.942 -14.993 1.00 71.08 N ATOM 650 N TYR A 85 17.684 9.988 -14.555 1.00 27.22 N ATOM 651 CA TYR A 85 17.363 11.311 -14.029 1.00 28.39 C ATOM 652 C TYR A 85 18.584 12.172 -13.831 1.00 26.45 C ATOM 653 O TYR A 85 18.542 13.307 -13.339 1.00 26.45 O ATOM 654 CB TYR A 85 16.602 11.137 -12.699 1.00 26.53 C ATOM 655 CG TYR A 85 15.295 10.417 -12.915 1.00 24.86 C ATOM 656 CD1 TYR A 85 14.230 11.142 -13.465 1.00 31.99 C ATOM 657 CD2 TYR A 85 15.109 9.082 -12.606 1.00 27.26 C ATOM 658 CE1 TYR A 85 13.026 10.502 -13.674 1.00 32.73 C ATOM 659 CE2 TYR A 85 13.898 8.439 -12.815 1.00 31.86 C ATOM 660 CZ TYR A 85 12.862 9.175 -13.357 1.00 39.62 C ATOM 661 OH TYR A 85 11.633 8.602 -13.592 1.00 38.71 O ATOM 662 N GLY A 86 19.759 11.662 -14.230 1.00 25.72 N ATOM 663 CA GLY A 86 20.945 12.502 -14.069 1.00 28.68 C ATOM 664 C GLY A 86 21.595 12.341 -12.701 1.00 20.43 C ATOM 665 O GLY A 86 22.582 13.014 -12.404 1.00 26.44 O ATOM 666 N ARG A 87 21.055 11.448 -11.858 1.00 24.83 N ATOM 667 CA ARG A 87 21.660 11.293 -10.521 1.00 22.64 C ATOM 668 C ARG A 87 22.850 10.354 -10.510 1.00 20.03 C ATOM 669 O ARG A 87 22.810 9.279 -11.139 1.00 21.99 O ATOM 670 CB ARG A 87 20.587 10.733 -9.582 1.00 17.37 C ATOM 671 CG ARG A 87 19.347 11.594 -9.442 1.00 18.98 C ATOM 672 CD ARG A 87 18.354 10.959 -8.493 1.00 24.50 C ATOM 673 NE ARG A 87 17.752 9.718 -8.963 1.00 29.67 N ATOM 674 CZ ARG A 87 16.863 8.992 -8.299 1.00 34.51 C ATOM 675 NH1 ARG A 87 16.433 9.360 -7.093 1.00 29.20 N ATOM 676 NH2 ARG A 87 16.400 7.878 -8.852 1.00 32.37 N ATOM 677 N GLY A 88 23.915 10.688 -9.788 1.00 17.75 N ATOM 678 CA GLY A 88 25.047 9.784 -9.579 1.00 17.57 C ATOM 679 C GLY A 88 24.602 8.527 -8.853 1.00 24.98 C ATOM 680 O GLY A 88 23.737 8.545 -7.971 1.00 26.74 O ATOM 681 N LEU A 89 25.137 7.376 -9.223 1.00 17.76 N ATOM 682 CA LEU A 89 24.797 6.099 -8.618 1.00 20.24 C ATOM 683 C LEU A 89 25.993 5.637 -7.805 1.00 25.72 C ATOM 684 O LEU A 89 27.016 5.280 -8.381 1.00 21.78 O ATOM 685 CB LEU A 89 24.434 5.011 -9.639 1.00 20.59 C ATOM 686 CG LEU A 89 23.120 5.286 -10.374 1.00 21.36 C ATOM 687 CD1 LEU A 89 22.960 4.293 -11.524 1.00 23.57 C ATOM 688 CD2 LEU A 89 21.964 5.230 -9.391 1.00 28.89 C ATOM 689 N ALA A 90 25.873 5.664 -6.468 1.00 18.34 N ATOM 690 CA ALA A 90 27.142 5.428 -5.749 1.00 17.69 C ATOM 691 C ALA A 90 26.909 4.839 -4.354 1.00 20.96 C ATOM 692 O ALA A 90 25.788 4.886 -3.839 1.00 19.46 O ATOM 693 CB ALA A 90 27.871 6.757 -5.611 1.00 22.76 C ATOM 694 N TYR A 91 28.001 4.324 -3.820 1.00 18.55 N ATOM 695 CA TYR A 91 28.007 4.015 -2.379 1.00 21.23 C ATOM 696 C TYR A 91 28.568 5.245 -1.682 1.00 18.15 C ATOM 697 O TYR A 91 29.567 5.851 -2.089 1.00 18.66 O ATOM 698 CB TYR A 91 28.820 2.762 -2.135 1.00 18.24 C ATOM 699 CG TYR A 91 28.472 1.558 -2.986 1.00 16.00 C ATOM 700 CD1 TYR A 91 27.363 0.781 -2.713 1.00 21.97 C ATOM 701 CD2 TYR A 91 29.269 1.200 -4.074 1.00 25.92 C ATOM 702 CE1 TYR A 91 26.992 -0.329 -3.456 1.00 21.15 C ATOM 703 CE2 TYR A 91 28.920 0.086 -4.833 1.00 19.59 C ATOM 704 CZ TYR A 91 27.809 -0.651 -4.530 1.00 25.31 C ATOM 705 OH TYR A 91 27.473 -1.760 -5.271 1.00 26.40 O ATOM 706 N ILE A 92 27.901 5.680 -0.618 1.00 17.17 N ATOM 707 CA ILE A 92 28.323 6.923 0.049 1.00 17.08 C ATOM 708 C ILE A 92 28.893 6.602 1.439 1.00 19.11 C ATOM 709 O ILE A 92 28.180 5.832 2.098 1.00 19.87 O ATOM 710 CB ILE A 92 27.096 7.818 0.183 1.00 18.61 C ATOM 711 CG1 ILE A 92 26.485 8.190 -1.178 1.00 26.57 C ATOM 712 CG2 ILE A 92 27.427 9.051 1.002 1.00 23.32 C ATOM 713 CD1AILE A 92 27.476 8.968 -2.030 0.76 18.61 C ATOM 714 CD1BILE A 92 26.108 9.639 -1.344 0.23 10.70 C ATOM 715 N TYR A 93 30.034 7.119 1.819 1.00 18.97 N ATOM 716 CA TYR A 93 30.655 6.761 3.110 1.00 20.41 C ATOM 717 C TYR A 93 30.697 7.983 4.028 1.00 22.99 C ATOM 718 O TYR A 93 31.025 9.068 3.566 1.00 20.44 O ATOM 719 CB TYR A 93 32.063 6.245 2.879 1.00 23.86 C ATOM 720 CG TYR A 93 32.101 4.906 2.192 1.00 22.99 C ATOM 721 CD1 TYR A 93 32.011 4.832 0.796 1.00 25.33 C ATOM 722 CD2 TYR A 93 32.212 3.723 2.906 1.00 18.13 C ATOM 723 CE1 TYR A 93 32.044 3.575 0.195 1.00 18.44 C ATOM 724 CE2 TYR A 93 32.244 2.483 2.305 1.00 27.17 C ATOM 725 CZ TYR A 93 32.159 2.416 0.914 1.00 23.64 C ATOM 726 OH TYR A 93 32.195 1.167 0.326 1.00 22.69 O ATOM 727 N ALA A 94 30.326 7.865 5.301 1.00 19.55 N ATOM 728 CA ALA A 94 30.409 8.993 6.242 1.00 16.24 C ATOM 729 C ALA A 94 31.455 8.583 7.282 1.00 22.59 C ATOM 730 O ALA A 94 31.189 7.575 7.945 1.00 21.93 O ATOM 731 CB ALA A 94 29.065 9.290 6.861 1.00 21.97 C ATOM 732 N ASP A 95 32.575 9.280 7.353 1.00 21.73 N ATOM 733 CA ASP A 95 33.681 8.835 8.207 1.00 51.39 C ATOM 734 C ASP A 95 33.975 7.355 8.060 1.00 45.57 C ATOM 735 O ASP A 95 34.021 6.620 9.049 1.00 26.26 O ATOM 736 CB ASP A 95 33.389 9.167 9.689 1.00 24.97 C ATOM 737 CG ASP A 95 33.295 10.684 9.822 1.00 23.35 C ATOM 738 OD1 ASP A 95 34.032 11.368 9.085 1.00 26.45 O ATOM 739 OD2 ASP A 95 32.469 11.157 10.619 1.00 30.59 O ATOM 740 N GLY A 96 34.193 6.840 6.843 1.00 21.54 N ATOM 741 CA GLY A 96 34.477 5.424 6.743 1.00 19.24 C ATOM 742 C GLY A 96 33.330 4.457 6.810 1.00 27.22 C ATOM 743 O GLY A 96 33.530 3.273 6.457 1.00 28.55 O ATOM 744 N LYS A 97 32.131 4.815 7.233 1.00 26.95 N ATOM 745 CA LYS A 97 30.991 3.930 7.368 1.00 23.80 C ATOM 746 C LYS A 97 30.030 4.039 6.177 1.00 20.39 C ATOM 747 O LYS A 97 29.589 5.160 5.906 1.00 20.63 O ATOM 748 CB LYS A 97 30.129 4.272 8.598 1.00 25.60 C ATOM 749 CG LYS A 97 30.868 4.182 9.924 1.00 55.65 C ATOM 750 CD LYS A 97 30.329 5.181 10.938 1.00105.13 C ATOM 751 CE LYS A 97 31.309 6.313 11.197 1.00126.65 C ATOM 752 NZ LYS A 97 31.080 7.004 12.499 1.00 42.69 N ATOM 753 N MET A 98 29.696 2.915 5.541 1.00 26.66 N ATOM 754 CA MET A 98 28.832 3.087 4.358 1.00 20.39 C ATOM 755 C MET A 98 27.416 3.449 4.731 1.00 19.37 C ATOM 756 O MET A 98 26.763 2.700 5.483 1.00 18.79 O ATOM 757 CB MET A 98 28.866 1.795 3.525 1.00 20.59 C ATOM 758 CG MET A 98 28.369 2.068 2.093 1.00 21.22 C ATOM 759 SD MET A 98 27.848 0.539 1.306 1.00 27.40 S ATOM 760 CE MET A 98 29.336 -0.441 1.388 1.00 27.19 C ATOM 761 N VAL A 99 26.866 4.558 4.220 1.00 15.47 N ATOM 762 CA VAL A 99 25.492 4.930 4.544 1.00 13.95 C ATOM 763 C VAL A 99 24.503 3.899 4.061 1.00 19.05 C ATOM 764 O VAL A 99 23.484 3.581 4.690 1.00 19.27 O ATOM 765 CB VAL A 99 25.159 6.339 3.988 1.00 22.56 C ATOM 766 CG1 VAL A 99 23.736 6.783 4.307 1.00 19.11 C ATOM 767 CG2 VAL A 99 26.162 7.359 4.534 1.00 23.74 C ATOM 768 N ASN A 100 24.785 3.322 2.878 1.00 20.87 N ATOM 769 CA ASN A 100 23.848 2.358 2.309 1.00 17.34 C ATOM 770 C ASN A 100 23.630 1.154 3.206 1.00 12.60 C ATOM 771 O ASN A 100 22.513 0.678 3.423 1.00 20.13 O ATOM 772 CB ASN A 100 24.410 1.825 0.977 1.00 18.03 C ATOM 773 CG ASN A 100 24.854 2.930 0.038 1.00 22.94 C ATOM 774 OD1 ASN A 100 25.617 3.833 0.373 1.00 19.06 O ATOM 775 ND2 ASN A 100 24.371 2.890 -1.221 1.00 22.24 N ATOM 776 N GLU A 101 24.755 0.658 3.711 1.00 19.17 N ATOM 777 CA GLU A 101 24.719 -0.493 4.627 1.00 20.51 C ATOM 778 C GLU A 101 24.083 -0.113 5.965 1.00 18.05 C ATOM 779 O GLU A 101 23.314 -0.913 6.501 1.00 21.34 O ATOM 780 CB GLU A 101 26.137 -1.032 4.872 1.00 18.26 C ATOM 781 CG GLU A 101 26.155 -2.403 5.535 1.00 21.14 C ATOM 782 CD GLU A 101 26.194 -2.376 7.051 1.00 59.05 C ATOM 783 OE1 GLU A 101 26.522 -1.312 7.626 1.00 33.86 O ATOM 784 OE2 GLU A 101 25.856 -3.380 7.707 1.00 32.20 O ATOM 785 N ALA A 102 24.452 1.056 6.498 1.00 23.28 N ATOM 786 CA ALA A 102 23.884 1.443 7.804 1.00 19.78 C ATOM 787 C ALA A 102 22.381 1.455 7.734 1.00 27.72 C ATOM 788 O ALA A 102 21.700 0.956 8.643 1.00 27.28 O ATOM 789 CB ALA A 102 24.436 2.781 8.283 1.00 20.91 C ATOM 790 N LEU A 103 21.812 2.027 6.661 1.00 21.80 N ATOM 791 CA LEU A 103 20.350 2.021 6.557 1.00 15.13 C ATOM 792 C LEU A 103 19.773 0.619 6.576 1.00 16.50 C ATOM 793 O LEU A 103 18.743 0.337 7.213 1.00 26.17 O ATOM 794 CB LEU A 103 19.896 2.737 5.270 1.00 17.99 C ATOM 795 CG LEU A 103 19.958 4.257 5.182 1.00 19.21 C ATOM 796 CD1 LEU A 103 20.017 4.700 3.702 1.00 21.75 C ATOM 797 CD2 LEU A 103 18.769 4.923 5.852 1.00 22.23 C ATOM 798 N VAL A 104 20.385 -0.305 5.835 1.00 17.71 N ATOM 799 CA VAL A 104 19.873 -1.655 5.731 1.00 17.87 C ATOM 800 C VAL A 104 20.044 -2.393 7.069 1.00 25.59 C ATOM 801 O VAL A 104 19.170 -3.162 7.474 1.00 23.85 O ATOM 802 CB VAL A 104 20.591 -2.442 4.622 1.00 25.50 C ATOM 803 CG1AVAL A 104 20.296 -3.933 4.747 0.89 26.55 C ATOM 804 CG1BVAL A 104 22.015 -2.833 4.942 0.11 5.18 C ATOM 805 CG2AVAL A 104 20.175 -1.897 3.263 0.89 20.68 C ATOM 806 CG2BVAL A 104 19.779 -3.709 4.325 0.11 28.41 C ATOM 807 N ARG A 105 21.173 -2.133 7.731 1.00 26.90 N ATOM 808 CA ARG A 105 21.437 -2.795 9.023 1.00 24.06 C ATOM 809 C ARG A 105 20.389 -2.426 10.071 1.00 21.12 C ATOM 810 O ARG A 105 20.059 -3.280 10.917 1.00 26.91 O ATOM 811 CB ARG A 105 22.825 -2.434 9.538 1.00 28.80 C ATOM 812 CG ARG A 105 23.282 -3.137 10.816 1.00 22.90 C ATOM 813 CD ARG A 105 23.026 -4.622 10.781 1.00 27.15 C ATOM 814 NE ARG A 105 23.381 -5.316 12.033 1.00 33.00 N ATOM 815 CZ ARG A 105 22.476 -5.644 12.951 1.00 36.14 C ATOM 816 NH1 ARG A 105 21.205 -5.334 12.743 1.00 25.62 N ATOM 817 NH2 ARG A 105 22.792 -6.275 14.081 1.00 32.40 N ATOM 818 N GLN A 106 19.877 -1.204 10.005 1.00 19.20 N ATOM 819 CA GLN A 106 18.883 -0.692 10.947 1.00 20.88 C ATOM 820 C GLN A 106 17.443 -0.983 10.581 1.00 22.89 C ATOM 821 O GLN A 106 16.521 -0.487 11.237 1.00 27.98 O ATOM 822 CB GLN A 106 18.969 0.848 11.060 1.00 28.06 C ATOM 823 CG GLN A 106 20.260 1.396 11.616 1.00 50.60 C ATOM 824 CD GLN A 106 20.400 1.129 13.109 1.00 48.69 C ATOM 825 OE1 GLN A 106 19.446 1.271 13.875 1.00 45.49 O ATOM 826 NE2 GLN A 106 21.610 0.735 13.479 1.00 41.05 N ATOM 827 N GLY A 107 17.214 -1.748 9.516 1.00 25.24 N ATOM 828 CA GLY A 107 15.856 -1.977 9.065 1.00 23.46 C ATOM 829 C GLY A 107 15.193 -0.706 8.555 1.00 23.33 C ATOM 830 O GLY A 107 13.982 -0.544 8.702 1.00 27.66 O ATOM 831 N LEU A 108 15.945 0.216 7.946 1.00 20.50 N ATOM 832 CA LEU A 108 15.320 1.412 7.400 1.00 19.87 C ATOM 833 C LEU A 108 15.403 1.467 5.861 1.00 25.35 C ATOM 834 O LEU A 108 15.112 2.529 5.317 1.00 26.65 O ATOM 835 CB LEU A 108 15.950 2.682 7.971 1.00 22.70 C ATOM 836 CG LEU A 108 15.616 2.999 9.436 1.00 28.67 C ATOM 837 CD1 LEU A 108 16.559 4.080 9.954 1.00 31.67 C ATOM 838 CD2 LEU A 108 14.168 3.425 9.599 1.00 27.17 C ATOM 839 N ALA A 109 15.777 0.364 5.255 1.00 28.18 N ATOM 840 CA ALA A 109 15.859 0.187 3.808 1.00 22.64 C ATOM 841 C ALA A 109 15.881 -1.298 3.490 1.00 33.04 C ATOM 842 O ALA A 109 16.331 -2.121 4.295 1.00 25.24 O ATOM 843 CB ALA A 109 17.091 0.878 3.255 1.00 20.46 C ATOM 844 N LYS A 110 15.403 -1.648 2.306 1.00 24.64 N ATOM 845 CA LYS A 110 15.565 -2.992 1.779 1.00 21.81 C ATOM 846 C LYS A 110 16.624 -3.023 0.689 1.00 22.07 C ATOM 847 O LYS A 110 16.905 -1.985 0.092 1.00 25.84 O ATOM 848 CB LYS A 110 14.262 -3.536 1.175 1.00 29.51 C ATOM 849 CG LYS A 110 13.013 -3.360 2.002 1.00 41.71 C ATOM 850 CD LYS A 110 11.912 -4.326 1.585 1.00 62.28 C ATOM 851 CE LYS A 110 10.990 -4.609 2.764 1.00 65.51 C ATOM 852 NZ LYS A 110 9.690 -5.194 2.340 1.00125.01 N ATOM 853 N VAL A 111 17.196 -4.194 0.446 1.00 23.51 N ATOM 854 CA VAL A 111 18.117 -4.265 -0.699 1.00 24.71 C ATOM 855 C VAL A 111 17.246 -4.175 -1.954 1.00 30.11 C ATOM 856 O VAL A 111 16.218 -4.846 -2.063 1.00 24.60 O ATOM 857 CB VAL A 111 18.987 -5.516 -0.644 1.00 32.34 C ATOM 858 CG1 VAL A 111 19.962 -5.556 -1.812 1.00 33.81 C ATOM 859 CG2 VAL A 111 19.773 -5.557 0.666 1.00 28.21 C ATOM 860 N ALA A 112 17.604 -3.326 -2.898 1.00 32.03 N ATOM 861 CA ALA A 112 16.813 -3.075 -4.097 1.00 32.77 C ATOM 862 C ALA A 112 16.928 -4.201 -5.108 1.00 34.87 C ATOM 863 O ALA A 112 17.697 -5.144 -4.904 1.00 29.74 O ATOM 864 CB ALA A 112 17.305 -1.792 -4.758 1.00 28.34 C ATOM 865 N TYR A 113 16.194 -4.075 -6.217 1.00 44.93 N ATOM 866 CA TYR A 113 16.401 -5.000 -7.341 1.00 36.23 C ATOM 867 C TYR A 113 17.799 -4.763 -7.886 1.00 38.23 C ATOM 868 O TYR A 113 18.196 -3.605 -8.058 1.00 39.41 O ATOM 869 CB TYR A 113 15.311 -4.803 -8.400 1.00 35.37 C ATOM 870 CG TYR A 113 15.272 -5.968 -9.372 1.00 65.04 C ATOM 871 CD1 TYR A 113 14.485 -7.085 -9.126 1.00 85.43 C ATOM 872 CD2 TYR A 113 16.036 -5.949 -10.532 1.00 72.68 C ATOM 873 CE1 TYR A 113 14.454 -8.146 -10.012 1.00 79.07 C ATOM 874 CE2 TYR A 113 16.012 -7.006 -11.422 1.00 61.76 C ATOM 875 CZ TYR A 113 15.220 -8.101 -11.158 1.00 53.44 C ATOM 876 OH TYR A 113 15.192 -9.156 -12.040 1.00 94.43 O ATOM 877 N VAL A 114 18.614 -5.787 -8.146 1.00 36.67 N ATOM 878 CA VAL A 114 19.990 -5.487 -8.551 1.00 41.98 C ATOM 879 C VAL A 114 20.192 -5.582 -10.061 1.00 61.37 C ATOM 880 O VAL A 114 19.749 -6.540 -10.692 1.00 55.32 O ATOM 881 CB VAL A 114 20.994 -6.419 -7.847 1.00 46.83 C ATOM 882 CG1 VAL A 114 22.422 -6.077 -8.247 1.00 41.18 C ATOM 883 CG2 VAL A 114 20.827 -6.324 -6.339 1.00 54.67 C ATOM 884 N TYR A 115 20.870 -4.581 -10.612 1.00 56.11 N ATOM 885 CA TYR A 115 21.198 -4.496 -12.030 1.00 47.61 C ATOM 886 C TYR A 115 22.684 -4.698 -12.275 1.00 52.13 C ATOM 887 O TYR A 115 23.484 -3.794 -11.996 1.00 59.73 O ATOM 888 CB TYR A 115 20.754 -3.127 -12.568 1.00 32.73 C ATOM 889 CG TYR A 115 19.256 -2.934 -12.578 1.00 38.19 C ATOM 890 CD1 TYR A 115 18.424 -3.734 -13.352 1.00 62.89 C ATOM 891 CD2 TYR A 115 18.669 -1.941 -11.809 1.00 42.66 C ATOM 892 CE1 TYR A 115 17.054 -3.544 -13.351 1.00 47.88 C ATOM 893 CE2 TYR A 115 17.303 -1.744 -11.798 1.00 56.74 C ATOM 894 CZ TYR A 115 16.499 -2.551 -12.574 1.00 55.60 C ATOM 895 OH TYR A 115 15.138 -2.350 -12.560 1.00 59.85 O ATOM 896 N LYS A 116 23.112 -5.856 -12.792 1.00 39.96 N ATOM 897 CA LYS A 116 24.557 -6.023 -13.008 1.00 35.81 C ATOM 898 C LYS A 116 25.021 -5.068 -14.109 1.00 32.53 C ATOM 899 O LYS A 116 24.218 -4.743 -14.988 1.00 40.51 O ATOM 900 CB LYS A 116 24.932 -7.450 -13.355 1.00 39.43 C ATOM 901 CG LYS A 116 24.309 -8.537 -12.503 1.00 46.27 C ATOM 902 CD LYS A 116 25.323 -9.636 -12.215 1.00 88.15 C ATOM 903 CE LYS A 116 24.798 -10.997 -12.647 1.00118.48 C ATOM 904 NZ LYS A 116 25.892 -11.887 -13.125 1.00139.70 N ATOM 905 N PRO A 117 26.259 -4.607 -14.087 1.00 30.35 N ATOM 906 CA PRO A 117 27.267 -4.976 -13.105 1.00 29.66 C ATOM 907 C PRO A 117 27.380 -4.005 -11.933 1.00 22.57 C ATOM 908 O PRO A 117 28.445 -3.954 -11.310 1.00 32.51 O ATOM 909 CB PRO A 117 28.563 -4.890 -13.923 1.00 38.27 C ATOM 910 CG PRO A 117 28.298 -3.889 -14.992 1.00 34.49 C ATOM 911 CD PRO A 117 26.818 -3.651 -15.065 1.00 43.34 C ATOM 912 N ASN A 118 26.340 -3.239 -11.632 1.00 30.56 N ATOM 913 CA ASN A 118 26.456 -2.407 -10.422 1.00 38.37 C ATOM 914 C ASN A 118 25.996 -3.250 -9.236 1.00 27.94 C ATOM 915 O ASN A 118 24.886 -3.045 -8.738 1.00 31.08 O ATOM 916 CB ASN A 118 25.631 -1.136 -10.529 1.00 31.17 C ATOM 917 CG ASN A 118 26.303 -0.062 -11.376 1.00 19.27 C ATOM 918 OD1 ASN A 118 27.485 -0.109 -11.651 1.00 25.42 O ATOM 919 ND2 ASN A 118 25.490 0.896 -11.815 1.00 30.61 N ATOM 920 N ASN A 119 26.823 -4.208 -8.830 1.00 24.35 N ATOM 921 CA ASN A 119 26.346 -5.107 -7.767 1.00 27.59 C ATOM 922 C ASN A 119 27.489 -5.492 -6.839 1.00 20.71 C ATOM 923 O ASN A 119 27.406 -6.528 -6.172 1.00 30.40 O ATOM 924 CB ASN A 119 25.707 -6.362 -8.347 1.00 37.09 C ATOM 925 CG ASN A 119 26.535 -7.125 -9.353 1.00 46.94 C ATOM 926 OD1 ASN A 119 26.029 -8.020 -10.041 1.00 77.96 O ATOM 927 ND2 ASN A 119 27.816 -6.827 -9.494 1.00 37.35 N ATOM 928 N THR A 120 28.545 -4.711 -6.828 1.00 22.66 N ATOM 929 CA THR A 120 29.747 -5.104 -6.079 1.00 27.29 C ATOM 930 C THR A 120 29.441 -5.394 -4.620 1.00 38.86 C ATOM 931 O THR A 120 29.871 -6.438 -4.119 1.00 36.74 O ATOM 932 CB THR A 120 30.829 -4.024 -6.222 1.00 30.27 C ATOM 933 OG1 THR A 120 31.223 -3.994 -7.607 1.00 36.63 O ATOM 934 CG2 THR A 120 32.111 -4.321 -5.466 1.00 30.76 C ATOM 935 N HIS A 121 28.720 -4.541 -3.904 1.00 38.63 N ATOM 936 CA HIS A 121 28.450 -4.773 -2.486 1.00 30.13 C ATOM 937 C HIS A 121 27.143 -5.481 -2.227 1.00 34.33 C ATOM 938 O HIS A 121 26.593 -5.406 -1.118 1.00 26.11 O ATOM 939 CB HIS A 121 28.416 -3.421 -1.722 1.00 23.55 C ATOM 940 CG HIS A 121 29.742 -2.737 -1.794 1.00 21.77 C ATOM 941 ND1 HIS A 121 30.923 -3.389 -1.545 1.00 28.48 N ATOM 942 CD2 HIS A 121 30.083 -1.456 -2.065 1.00 21.89 C ATOM 943 CE1 HIS A 121 31.931 -2.548 -1.679 1.00 27.55 C ATOM 944 NE2 HIS A 121 31.446 -1.360 -1.992 1.00 28.26 N ATOM 945 N GLU A 122 26.585 -6.183 -3.217 1.00 21.54 N ATOM 946 CA GLU A 122 25.262 -6.754 -3.033 1.00 24.09 C ATOM 947 C GLU A 122 25.169 -7.792 -1.918 1.00 34.68 C ATOM 948 O GLU A 122 24.269 -7.757 -1.068 1.00 29.26 O ATOM 949 CB GLU A 122 24.804 -7.410 -4.352 1.00 25.59 C ATOM 950 CG GLU A 122 23.400 -7.975 -4.212 1.00 34.25 C ATOM 951 CD GLU A 122 23.106 -8.930 -5.362 1.00 36.58 C ATOM 952 OE1 GLU A 122 24.024 -9.209 -6.159 1.00 39.96 O ATOM 953 OE2 GLU A 122 21.954 -9.372 -5.437 1.00 33.70 O ATOM 954 N GLN A 123 26.077 -8.758 -1.888 1.00 36.24 N ATOM 955 CA GLN A 123 25.985 -9.815 -0.872 1.00 32.23 C ATOM 956 C GLN A 123 26.192 -9.257 0.535 1.00 26.44 C ATOM 957 O GLN A 123 25.515 -9.653 1.485 1.00 37.24 O ATOM 958 CB GLN A 123 27.015 -10.905 -1.210 1.00 33.77 C ATOM 959 CG GLN A 123 26.537 -11.742 -2.400 1.00 41.90 C ATOM 960 CD GLN A 123 27.141 -13.133 -2.380 1.00104.79 C ATOM 961 OE1 GLN A 123 27.802 -13.541 -3.336 1.00157.91 O ATOM 962 NE2 GLN A 123 26.918 -13.861 -1.291 1.00125.22 N ATOM 963 N HIS A 124 27.130 -8.331 0.671 1.00 24.21 N ATOM 964 CA HIS A 124 27.377 -7.638 1.932 1.00 28.46 C ATOM 965 C HIS A 124 26.119 -6.948 2.438 1.00 45.75 C ATOM 966 O HIS A 124 25.794 -7.041 3.627 1.00 27.56 O ATOM 967 CB HIS A 124 28.539 -6.651 1.777 1.00 30.83 C ATOM 968 CG HIS A 124 28.806 -5.878 3.037 1.00 45.65 C ATOM 969 ND1 HIS A 124 28.572 -6.416 4.285 1.00 82.55 N ATOM 970 CD2 HIS A 124 29.264 -4.628 3.268 1.00 72.42 C ATOM 971 CE1 HIS A 124 28.879 -5.540 5.223 1.00 50.67 C ATOM 972 NE2 HIS A 124 29.305 -4.437 4.632 1.00 38.28 N ATOM 973 N LEU A 125 25.372 -6.259 1.574 1.00 28.77 N ATOM 974 CA LEU A 125 24.137 -5.611 1.992 1.00 28.05 C ATOM 975 C LEU A 125 23.075 -6.641 2.342 1.00 26.08 C ATOM 976 O LEU A 125 22.226 -6.533 3.233 1.00 23.25 O ATOM 977 CB LEU A 125 23.631 -4.673 0.881 1.00 23.40 C ATOM 978 CG LEU A 125 24.227 -3.275 0.773 1.00 31.87 C ATOM 979 CD1ALEU A 125 23.325 -2.376 -0.070 0.68 31.42 C ATOM 980 CD1BLEU A 125 25.604 -3.204 1.414 0.32 22.54 C ATOM 981 CD2ALEU A 125 24.415 -2.637 2.139 0.68 31.11 C ATOM 982 CD2BLEU A 125 24.319 -2.825 -0.682 0.32 27.53 C ATOM 983 N ARG A 126 23.057 -7.736 1.565 1.00 25.44 N ATOM 984 CA ARG A 126 22.051 -8.760 1.815 1.00 33.90 C ATOM 985 C ARG A 126 22.264 -9.463 3.159 1.00 20.53 C ATOM 986 O ARG A 126 21.308 -9.865 3.822 1.00 29.49 O ATOM 987 CB ARG A 126 22.073 -9.796 0.680 1.00 29.72 C ATOM 988 CG ARG A 126 21.121 -9.363 -0.434 1.00 33.95 C ATOM 989 CD ARG A 126 20.939 -10.490 -1.439 1.00 54.35 C ATOM 990 NE ARG A 126 20.663 -9.939 -2.765 1.00 40.58 N ATOM 991 CZ ARG A 126 19.514 -9.368 -3.087 1.00 30.30 C ATOM 992 NH1 ARG A 126 18.553 -9.285 -2.175 1.00 39.80 N ATOM 993 NH2 ARG A 126 19.333 -8.889 -4.308 1.00 65.19 N ATOM 994 N LYS A 127 23.530 -9.583 3.521 1.00 22.40 N ATOM 995 CA LYS A 127 23.835 -10.135 4.850 1.00 38.37 C ATOM 996 C LYS A 127 23.336 -9.196 5.937 1.00 32.51 C ATOM 997 O LYS A 127 22.754 -9.633 6.930 1.00 28.47 O ATOM 998 CB LYS A 127 25.338 -10.403 4.960 1.00 32.31 C ATOM 999 CG LYS A 127 25.725 -11.708 4.249 1.00 37.25 C ATOM 1000 CD LYS A 127 27.241 -11.786 4.162 1.00 55.65 C ATOM 1001 CE LYS A 127 27.701 -12.972 3.336 1.00 40.46 C ATOM 1002 NZ LYS A 127 29.145 -13.276 3.561 1.00 58.24 N ATOM 1003 N SER A 128 23.526 -7.879 5.745 1.00 26.55 N ATOM 1004 CA SER A 128 23.025 -6.967 6.775 1.00 20.74 C ATOM 1005 C SER A 128 21.515 -6.950 6.807 1.00 25.64 C ATOM 1006 O SER A 128 20.873 -6.779 7.849 1.00 27.88 O ATOM 1007 CB SER A 128 23.551 -5.540 6.603 1.00 21.47 C ATOM 1008 OG SER A 128 24.935 -5.408 6.815 1.00 29.90 O ATOM 1009 N GLU A 129 20.880 -7.112 5.645 1.00 23.58 N ATOM 1010 CA GLU A 129 19.431 -7.097 5.638 1.00 19.43 C ATOM 1011 C GLU A 129 18.880 -8.305 6.399 1.00 18.49 C ATOM 1012 O GLU A 129 17.864 -8.211 7.078 1.00 23.82 O ATOM 1013 CB GLU A 129 18.892 -7.121 4.184 1.00 21.37 C ATOM 1014 CG GLU A 129 17.378 -6.981 4.108 1.00 25.41 C ATOM 1015 CD GLU A 129 16.858 -7.204 2.694 1.00 35.77 C ATOM 1016 OE1 GLU A 129 17.014 -8.317 2.164 1.00 39.41 O ATOM 1017 OE2 GLU A 129 16.303 -6.280 2.080 1.00 29.19 O ATOM 1018 N ALA A 130 19.549 -9.438 6.210 1.00 26.84 N ATOM 1019 CA ALA A 130 19.068 -10.657 6.873 1.00 36.05 C ATOM 1020 C ALA A 130 19.109 -10.475 8.394 1.00 27.30 C ATOM 1021 O ALA A 130 18.198 -10.914 9.092 1.00 33.64 O ATOM 1022 CB ALA A 130 19.900 -11.846 6.434 1.00 27.24 C ATOM 1023 N GLN A 131 20.169 -9.816 8.854 1.00 25.97 N ATOM 1024 CA GLN A 131 20.348 -9.544 10.294 1.00 28.06 C ATOM 1025 C GLN A 131 19.297 -8.583 10.794 1.00 27.79 C ATOM 1026 O GLN A 131 18.701 -8.781 11.863 1.00 31.72 O ATOM 1027 CB GLN A 131 21.743 -9.014 10.618 1.00 29.06 C ATOM 1028 CG GLN A 131 21.974 -8.878 12.121 1.00 55.41 C ATOM 1029 CD GLN A 131 22.181 -10.216 12.804 1.00 53.47 C ATOM 1030 OE1 GLN A 131 21.874 -10.403 13.982 1.00 50.36 O ATOM 1031 NE2 GLN A 131 22.712 -11.182 12.068 1.00 39.11 N ATOM 1032 N ALA A 132 18.990 -7.530 10.031 1.00 22.21 N ATOM 1033 CA ALA A 132 17.911 -6.654 10.490 1.00 25.38 C ATOM 1034 C ALA A 132 16.580 -7.381 10.524 1.00 34.51 C ATOM 1035 O ALA A 132 15.711 -7.118 11.360 1.00 27.89 O ATOM 1036 CB ALA A 132 17.809 -5.414 9.616 1.00 24.49 C ATOM 1037 N LYS A 133 16.377 -8.318 9.585 1.00 35.97 N ATOM 1038 CA LYS A 133 15.051 -8.941 9.572 1.00 25.68 C ATOM 1039 C LYS A 133 14.930 -9.871 10.785 1.00 28.92 C ATOM 1040 O LYS A 133 13.854 -9.939 11.376 1.00 39.43 O ATOM 1041 CB LYS A 133 14.787 -9.710 8.278 1.00 38.53 C ATOM 1042 CG LYS A 133 15.171 -8.971 7.009 1.00 80.69 C ATOM 1043 CD LYS A 133 14.763 -9.672 5.726 1.00 43.48 C ATOM 1044 CE LYS A 133 14.959 -11.175 5.804 1.00 98.89 C ATOM 1045 NZ LYS A 133 15.806 -11.713 4.706 1.00 71.34 N ATOM 1046 N LYS A 134 16.043 -10.520 11.084 1.00 29.59 N ATOM 1047 CA LYS A 134 16.173 -11.455 12.204 1.00 39.25 C ATOM 1048 C LYS A 134 15.966 -10.729 13.528 1.00 48.87 C ATOM 1049 O LYS A 134 15.294 -11.263 14.410 1.00 41.69 O ATOM 1050 CB LYS A 134 17.528 -12.151 12.151 1.00 36.12 C ATOM 1051 CG LYS A 134 17.991 -12.785 13.447 1.00 48.36 C ATOM 1052 CD LYS A 134 19.145 -13.746 13.224 1.00 81.01 C ATOM 1053 CE LYS A 134 19.409 -14.600 14.454 1.00111.68 C ATOM 1054 NZ LYS A 134 20.642 -15.428 14.315 1.00 95.50 N ATOM 1055 N GLU A 135 16.500 -9.522 13.667 1.00 44.44 N ATOM 1056 CA GLU A 135 16.335 -8.683 14.844 1.00 35.40 C ATOM 1057 C GLU A 135 15.002 -7.945 14.857 1.00 40.27 C ATOM 1058 O GLU A 135 14.725 -7.227 15.818 1.00 36.68 O ATOM 1059 CB GLU A 135 17.481 -7.655 14.937 1.00 25.40 C ATOM 1060 CG GLU A 135 18.813 -8.333 15.142 1.00 23.57 C ATOM 1061 CD GLU A 135 20.036 -7.466 15.204 1.00 22.08 C ATOM 1062 OE1 GLU A 135 19.944 -6.227 15.134 1.00 31.39 O ATOM 1063 OE2 GLU A 135 21.145 -8.039 15.321 1.00 27.81 O ATOM 1064 N LYS A 136 14.222 -8.107 13.801 1.00 31.07 N ATOM 1065 CA LYS A 136 12.935 -7.463 13.561 1.00 27.69 C ATOM 1066 C LYS A 136 12.934 -5.962 13.785 1.00 36.90 C ATOM 1067 O LYS A 136 12.063 -5.384 14.447 1.00 34.60 O ATOM 1068 CB LYS A 136 11.865 -8.154 14.423 1.00 40.65 C ATOM 1069 CG LYS A 136 11.834 -9.660 14.176 1.00 34.52 C ATOM 1070 CD LYS A 136 10.568 -10.278 14.740 1.00 77.31 C ATOM 1071 CE LYS A 136 10.842 -11.028 16.034 1.00 90.94 C ATOM 1072 NZ LYS A 136 9.579 -11.484 16.683 1.00 93.89 N ATOM 1073 N LEU A 137 13.923 -5.275 13.210 1.00 27.00 N ATOM 1074 CA LEU A 137 14.050 -3.836 13.333 1.00 21.41 C ATOM 1075 C LEU A 137 13.183 -3.059 12.343 1.00 30.26 C ATOM 1076 O LEU A 137 13.201 -3.393 11.155 1.00 36.49 O ATOM 1077 CB LEU A 137 15.508 -3.414 13.068 1.00 22.13 C ATOM 1078 CG LEU A 137 16.565 -3.877 14.071 1.00 30.99 C ATOM 1079 CD1 LEU A 137 17.963 -3.567 13.562 1.00 30.23 C ATOM 1080 CD2 LEU A 137 16.336 -3.205 15.424 1.00 41.28 C ATOM 1081 N ASN A 138 12.500 -2.048 12.814 1.00 25.41 N ATOM 1082 CA ASN A 138 11.838 -1.002 12.038 1.00 31.46 C ATOM 1083 C ASN A 138 10.928 -1.568 10.966 1.00 41.26 C ATOM 1084 O ASN A 138 9.830 -2.045 11.245 1.00 45.27 O ATOM 1085 CB ASN A 138 12.932 -0.090 11.452 1.00 31.76 C ATOM 1086 CG ASN A 138 13.511 0.790 12.554 1.00 37.90 C ATOM 1087 OD1 ASN A 138 12.749 1.415 13.289 1.00 34.68 O ATOM 1088 ND2 ASN A 138 14.820 0.839 12.700 1.00 30.60 N ATOM 1089 N ILE A 139 11.371 -1.552 9.711 1.00 33.48 N ATOM 1090 CA ILE A 139 10.559 -2.070 8.615 1.00 31.98 C ATOM 1091 C ILE A 139 10.168 -3.509 8.870 1.00 35.81 C ATOM 1092 O ILE A 139 9.126 -4.014 8.464 1.00 37.82 O ATOM 1093 CB ILE A 139 11.354 -1.970 7.292 1.00 36.75 C ATOM 1094 CG1 ILE A 139 11.163 -0.607 6.602 1.00 35.17 C ATOM 1095 CG2 ILE A 139 11.037 -3.118 6.366 1.00 54.55 C ATOM 1096 CD1 ILE A 139 11.809 -0.582 5.227 1.00 59.90 C ATOM 1097 N TRP A 140 11.053 -4.213 9.566 1.00 35.70 N ATOM 1098 CA TRP A 140 10.823 -5.633 9.778 1.00 38.46 C ATOM 1099 C TRP A 140 10.120 -5.908 11.105 1.00 37.00 C ATOM 1100 O TRP A 140 9.966 -7.076 11.457 1.00 41.25 O ATOM 1101 CB TRP A 140 12.153 -6.378 9.726 1.00 33.70 C ATOM 1102 CG TRP A 140 12.954 -6.124 8.486 1.00 53.77 C ATOM 1103 CD1 TRP A 140 14.148 -5.465 8.414 1.00 41.59 C ATOM 1104 CD2 TRP A 140 12.635 -6.518 7.148 1.00 38.83 C ATOM 1105 NE1 TRP A 140 14.587 -5.426 7.116 1.00 27.28 N ATOM 1106 CE2 TRP A 140 13.678 -6.064 6.316 1.00 34.32 C ATOM 1107 CE3 TRP A 140 11.568 -7.211 6.570 1.00 45.52 C ATOM 1108 CZ2 TRP A 140 13.686 -6.280 4.937 1.00 55.01 C ATOM 1109 CZ3 TRP A 140 11.580 -7.422 5.205 1.00 36.35 C ATOM 1110 CH2 TRP A 140 12.629 -6.961 4.395 1.00 42.55 C ATOM 1111 N SER A 141 9.704 -4.869 11.819 1.00 51.18 N ATOM 1112 CA SER A 141 8.998 -5.047 13.081 1.00 35.98 C ATOM 1113 C SER A 141 7.496 -5.193 12.847 1.00 60.99 C ATOM 1114 O SER A 141 7.000 -5.019 11.735 1.00 61.66 O ATOM 1115 CB SER A 141 9.247 -3.868 14.019 1.00 41.52 C ATOM 1116 OG SER A 141 8.410 -2.770 13.702 1.00 49.29 O TER 1117 SER A 141 HETATM 1118 O HOH A 201 28.116 3.428 -10.169 1.00 25.07 O HETATM 1119 O HOH A 202 33.330 15.810 3.196 1.00 28.12 O HETATM 1120 O HOH A 203 16.882 -3.999 6.215 1.00 29.11 O HETATM 1121 O HOH A 204 30.641 17.382 4.151 1.00 32.98 O HETATM 1122 O HOH A 205 36.958 10.636 9.589 1.00 36.51 O HETATM 1123 O HOH A 206 13.083 8.590 3.261 1.00 31.98 O HETATM 1124 O HOH A 207 22.501 15.521 -10.391 1.00 31.38 O HETATM 1125 O HOH A 208 34.708 5.986 -7.120 1.00 30.91 O HETATM 1126 O HOH A 209 35.046 3.444 -8.076 1.00 32.55 O HETATM 1127 O HOH A 210 14.163 4.530 -2.103 1.00 28.74 O HETATM 1128 O HOH A 211 23.381 0.629 11.051 1.00 40.46 O HETATM 1129 O HOH A 212 22.345 -2.191 -9.549 1.00 35.38 O HETATM 1130 O HOH A 213 27.823 0.964 7.656 1.00 39.97 O HETATM 1131 O HOH A 214 15.169 -6.857 -0.239 1.00 38.31 O HETATM 1132 O HOH A 215 34.282 8.435 4.748 1.00 28.02 O HETATM 1133 O HOH A 216 28.389 10.516 10.685 1.00 36.24 O HETATM 1134 O HOH A 217 24.153 13.968 -14.287 1.00 42.11 O HETATM 1135 O HOH A 218 30.767 0.473 6.345 1.00 41.50 O HETATM 1136 O HOH A 219 29.339 16.748 6.561 1.00 39.41 O HETATM 1137 O HOH A 220 25.905 -0.524 10.250 1.00 35.94 O HETATM 1138 O HOH A 221 35.207 16.108 -4.965 1.00 40.94 O HETATM 1139 O HOH A 222 14.707 5.258 -7.719 1.00 44.52 O HETATM 1140 O HOH A 223 12.319 -1.663 15.877 1.00 46.73 O HETATM 1141 O HOH A 224 20.016 1.020 -7.050 1.00 52.05 O HETATM 1142 O HOH A 225 21.074 18.594 4.778 1.00 45.71 O HETATM 1143 O HOH A 226 7.041 7.084 9.939 1.00 50.18 O HETATM 1144 O HOH A 227 14.441 7.380 -5.918 1.00 46.57 O HETATM 1145 O HOH A 228 19.873 14.958 -11.234 1.00 56.78 O HETATM 1146 O HOH A 229 17.929 5.081 -10.168 1.00 46.28 O HETATM 1147 O HOH A 230 16.825 1.914 15.062 1.00 43.32 O HETATM 1148 O HOH A 231 27.925 -9.272 -4.376 1.00 46.18 O HETATM 1149 O HOH A 232 38.950 9.965 0.006 1.00 59.25 O HETATM 1150 O HOH A 233 18.038 12.639 -18.021 1.00 49.97 O HETATM 1151 O HOH A 234 21.394 3.016 -18.974 1.00 53.77 O HETATM 1152 O HOH A 235 17.814 12.594 4.211 1.00 42.32 O HETATM 1153 O HOH A 236 32.940 -0.937 1.579 1.00 46.30 O HETATM 1154 O HOH A 237 16.624 -12.980 8.057 1.00 59.60 O HETATM 1155 O HOH A 238 18.246 17.455 -7.091 1.00 38.43 O HETATM 1156 O HOH A 239 23.364 -12.561 8.016 1.00 50.64 O HETATM 1157 O HOH A 240 10.631 6.915 -11.216 1.00 53.57 O HETATM 1158 O HOH A 241 23.043 20.682 4.317 1.00 52.55 O HETATM 1159 O HOH A 242 16.295 5.144 -12.479 1.00 46.70 O HETATM 1160 O HOH A 243 39.871 4.209 -2.109 1.00 47.92 O HETATM 1161 O HOH A 244 36.615 5.151 4.017 1.00 62.39 O HETATM 1162 O HOH A 245 21.553 -13.557 2.792 1.00 69.30 O HETATM 1163 O HOH A 246 31.560 -5.735 -0.623 1.00 59.34 O HETATM 1164 O HOH A 247 29.376 -7.931 -1.154 1.00 48.48 O HETATM 1165 O HOH A 248 30.773 10.208 12.089 1.00 50.03 O HETATM 1166 O HOH A 249 34.276 2.448 -10.444 1.00 47.73 O HETATM 1167 O HOH A 250 16.215 8.355 12.246 1.00 49.16 O HETATM 1168 O HOH A 251 7.378 1.387 5.027 1.00 50.82 O HETATM 1169 O HOH A 252 21.836 18.228 -8.450 1.00 53.98 O HETATM 1170 O HOH A 253 34.180 19.447 -5.296 1.00 54.45 O HETATM 1171 O HOH A 254 34.882 -0.768 -1.515 1.00 48.46 O HETATM 1172 O HOH A 255 17.973 4.926 -14.780 1.00 48.16 O HETATM 1173 O HOH A 256 20.657 -1.776 -8.046 1.00 62.06 O HETATM 1174 O HOH A 257 14.246 -14.332 10.001 1.00 60.51 O HETATM 1175 O HOH A 258 37.505 2.522 -2.760 1.00 65.29 O HETATM 1176 O HOH A 259 29.498 -1.666 5.499 1.00 61.16 O HETATM 1177 O HOH A 260 6.354 -2.291 10.537 1.00 59.71 O HETATM 1178 O HOH A 261 17.708 -8.599 -8.100 1.00 51.62 O HETATM 1179 O HOH A 262 22.416 0.468 -11.616 1.00 46.43 O HETATM 1180 O HOH A 263 22.881 23.435 -4.429 1.00 88.23 O HETATM 1181 O HOH A 264 25.477 13.407 -16.082 1.00 58.98 O HETATM 1182 O HOH A 265 19.734 1.210 -10.155 1.00 59.99 O HETATM 1183 O HOH A 266 25.437 18.743 12.528 1.00 64.57 O HETATM 1184 O HOH A 267 18.022 -9.796 0.720 1.00 49.56 O MASTER 259 0 0 4 9 0 0 6 1183 1 0 12 END