HEADER HYDROLASE 05-MAY-00 1EY0 TITLE STRUCTURE OF WILD-TYPE S. NUCLEASE AT 1.6 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 1EY0 1 VERSN REVDAT 1 18-OCT-00 1EY0 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. 1.60 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) : 1.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 91.2 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) : 0.200 REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL REMARK 3 FREE R VALUE (NO CUTOFF) : 0.255 REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : 921 REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 17513 REMARK 3 REMARK 3 FIT/AGREEMENT OF MODEL FOR DATA WITH F>4SIG(F). REMARK 3 R VALUE (WORKING + TEST SET, F>4SIG(F)) : 0.167 REMARK 3 R VALUE (WORKING SET, F>4SIG(F)) : NULL REMARK 3 FREE R VALUE (F>4SIG(F)) : 0.223 REMARK 3 FREE R VALUE TEST SET SIZE (%, F>4SIG(F)) : 5.400 REMARK 3 FREE R VALUE TEST SET COUNT (F>4SIG(F)) : 631 REMARK 3 TOTAL NUMBER OF REFLECTIONS (F>4SIG(F)) : 11740 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1122 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 82 REMARK 3 REMARK 3 MODEL REFINEMENT. REMARK 3 OCCUPANCY SUM OF NON-HYDROGEN ATOMS : 1162.50 REMARK 3 OCCUPANCY SUM OF HYDROGEN ATOMS : 0.00 REMARK 3 NUMBER OF DISCRETELY DISORDERED RESIDUES : 8 REMARK 3 NUMBER OF LEAST-SQUARES PARAMETERS : 4827 REMARK 3 NUMBER OF RESTRAINTS : 4584 REMARK 3 REMARK 3 RMS DEVIATIONS FROM RESTRAINT TARGET VALUES. REMARK 3 BOND LENGTHS (A) : 0.008 REMARK 3 ANGLE DISTANCES (A) : 0.026 REMARK 3 SIMILAR DISTANCES (NO TARGET VALUES) (A) : 0.000 REMARK 3 DISTANCES FROM RESTRAINT PLANES (A) : 0.025 REMARK 3 ZERO CHIRAL VOLUMES (A**3) : 0.046 REMARK 3 NON-ZERO CHIRAL VOLUMES (A**3) : 0.059 REMARK 3 ANTI-BUMPING DISTANCE RESTRAINTS (A) : 0.007 REMARK 3 RIGID-BOND ADP COMPONENTS (A**2) : 0.000 REMARK 3 SIMILAR ADP COMPONENTS (A**2) : 0.206 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 1EY0 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-MAY-00. REMARK 100 THE RCSB ID CODE IS RCSB011009. 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 (%): 44.26 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 31.86000 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 15.93000 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 47.79000 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 87 NE - CZ - NH2 ANGL. DEV. = -4.5 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 -61.46 -107.62 REMARK 500 LYS A 45 71.05 -107.80 REMARK 500 TYR A 54 -2.25 83.69 REMARK 500 ASP A 83 -168.71 -101.97 REMARK 500 ASN A 119 29.83 -152.03 REMARK 500 ASN A 138 -105.59 50.00 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES 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: 1EYD RELATED DB: PDB REMARK 900 S. NUCLEASE WILD TYPE, 1.70A 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 1EY0 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 *82(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 O LYS A 110 N ASP A 40 CISPEP 1 LYS A 116 PRO A 117 0 1.82 CRYST1 48.310 48.310 63.720 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 0.020700 0.000000 0.000000 0.00000 SCALE2 0.000000 0.020700 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015694 0.00000 ATOM 1 N LYS A 6 63.582 22.010 -9.585 1.00 67.45 N ATOM 2 CA LYS A 6 63.469 22.366 -8.175 1.00 98.38 C ATOM 3 C LYS A 6 62.720 23.683 -7.978 1.00 57.15 C ATOM 4 O LYS A 6 63.134 24.746 -8.431 1.00 61.37 O ATOM 5 CB LYS A 6 64.851 22.447 -7.522 1.00 60.18 C ATOM 6 CG LYS A 6 65.999 22.092 -8.457 1.00151.86 C ATOM 7 CD LYS A 6 66.725 20.834 -8.012 1.00157.91 C ATOM 8 CE LYS A 6 68.170 20.803 -8.483 1.00156.93 C ATOM 9 NZ LYS A 6 68.991 19.821 -7.717 1.00 62.55 N ATOM 10 N LEU A 7 61.588 23.583 -7.288 1.00 38.34 N ATOM 11 CA LEU A 7 60.812 24.776 -6.968 1.00 36.91 C ATOM 12 C LEU A 7 61.747 25.701 -6.195 1.00 42.83 C ATOM 13 O LEU A 7 62.671 25.236 -5.526 1.00 57.34 O ATOM 14 CB LEU A 7 59.547 24.441 -6.180 1.00 44.03 C ATOM 15 CG LEU A 7 58.505 23.510 -6.811 1.00 47.22 C ATOM 16 CD1 LEU A 7 57.147 23.674 -6.158 1.00 33.79 C ATOM 17 CD2 LEU A 7 58.357 23.743 -8.311 1.00 39.89 C ATOM 18 N HIS A 8 61.546 27.007 -6.265 1.00 42.53 N ATOM 19 CA HIS A 8 62.288 27.889 -5.353 1.00 47.20 C ATOM 20 C HIS A 8 61.367 29.020 -4.887 1.00 43.74 C ATOM 21 O HIS A 8 60.352 29.366 -5.496 1.00 36.81 O ATOM 22 CB HIS A 8 63.577 28.321 -6.019 1.00 51.48 C ATOM 23 CG HIS A 8 63.445 29.446 -6.980 1.00 53.91 C ATOM 24 ND1 HIS A 8 63.046 29.259 -8.283 1.00 93.91 N ATOM 25 CD2 HIS A 8 63.671 30.775 -6.833 1.00 62.80 C ATOM 26 CE1 HIS A 8 63.023 30.428 -8.900 1.00112.08 C ATOM 27 NE2 HIS A 8 63.396 31.363 -8.044 1.00106.81 N ATOM 28 N LYS A 9 61.705 29.564 -3.724 1.00 37.18 N ATOM 29 CA LYS A 9 60.948 30.637 -3.083 1.00 31.03 C ATOM 30 C LYS A 9 61.508 31.972 -3.551 1.00 41.08 C ATOM 31 O LYS A 9 62.695 32.178 -3.782 1.00 55.60 O ATOM 32 CB LYS A 9 60.996 30.461 -1.572 1.00 31.77 C ATOM 33 CG LYS A 9 60.340 29.218 -0.996 1.00 36.46 C ATOM 34 CD LYS A 9 60.787 28.959 0.436 1.00 51.13 C ATOM 35 CE LYS A 9 60.168 27.695 1.011 1.00 46.27 C ATOM 36 NZ LYS A 9 60.824 26.467 0.475 1.00 63.54 N ATOM 37 N GLU A 10 60.639 32.954 -3.737 1.00 29.76 N ATOM 38 CA GLU A 10 61.024 34.309 -4.007 1.00 28.21 C ATOM 39 C GLU A 10 60.305 35.232 -3.011 1.00 29.14 C ATOM 40 O GLU A 10 59.197 34.940 -2.560 1.00 31.79 O ATOM 41 CB GLU A 10 60.616 34.745 -5.422 1.00 30.49 C ATOM 42 CG GLU A 10 61.228 33.730 -6.430 1.00 40.76 C ATOM 43 CD GLU A 10 60.408 33.782 -7.710 1.00 78.13 C ATOM 44 OE1 GLU A 10 60.349 34.881 -8.299 1.00 65.46 O ATOM 45 OE2 GLU A 10 59.821 32.753 -8.093 1.00 55.15 O ATOM 46 N PRO A 11 60.973 36.321 -2.730 1.00 32.67 N ATOM 47 CA PRO A 11 60.379 37.265 -1.766 1.00 36.26 C ATOM 48 C PRO A 11 59.208 37.989 -2.376 1.00 32.05 C ATOM 49 O PRO A 11 59.093 38.226 -3.593 1.00 32.76 O ATOM 50 CB PRO A 11 61.530 38.235 -1.467 1.00 44.58 C ATOM 51 CG PRO A 11 62.505 38.101 -2.581 1.00 40.16 C ATOM 52 CD PRO A 11 62.275 36.759 -3.237 1.00 39.92 C ATOM 53 N ALA A 12 58.294 38.381 -1.493 1.00 27.46 N ATOM 54 CA ALA A 12 57.220 39.270 -1.945 1.00 26.30 C ATOM 55 C ALA A 12 56.781 40.131 -0.765 1.00 34.35 C ATOM 56 O ALA A 12 57.171 39.874 0.382 1.00 32.78 O ATOM 57 CB ALA A 12 56.052 38.480 -2.509 1.00 30.36 C ATOM 58 N THR A 13 55.980 41.144 -1.007 1.00 29.07 N ATOM 59 CA THR A 13 55.548 42.011 0.105 1.00 28.33 C ATOM 60 C THR A 13 54.047 42.095 0.176 1.00 31.84 C ATOM 61 O THR A 13 53.338 42.249 -0.822 1.00 29.00 O ATOM 62 CB THR A 13 56.137 43.427 -0.053 1.00 33.30 C ATOM 63 OG1 THR A 13 57.564 43.301 -0.061 1.00 33.30 O ATOM 64 CG2 THR A 13 55.676 44.280 1.119 1.00 31.71 C ATOM 65 N LEU A 14 53.491 41.946 1.389 1.00 28.34 N ATOM 66 CA LEU A 14 52.029 41.982 1.443 1.00 24.47 C ATOM 67 C LEU A 14 51.472 43.319 0.994 1.00 34.42 C ATOM 68 O LEU A 14 51.936 44.405 1.305 1.00 37.46 O ATOM 69 CB LEU A 14 51.503 41.684 2.856 1.00 31.93 C ATOM 70 CG LEU A 14 49.990 41.762 3.100 1.00 31.07 C ATOM 71 CD1 LEU A 14 49.174 40.761 2.302 1.00 30.46 C ATOM 72 CD2 LEU A 14 49.705 41.540 4.595 1.00 29.99 C ATOM 73 N ILE A 15 50.401 43.246 0.214 1.00 31.74 N ATOM 74 CA ILE A 15 49.667 44.462 -0.078 1.00 27.84 C ATOM 75 C ILE A 15 48.367 44.352 0.720 1.00 35.36 C ATOM 76 O ILE A 15 48.158 45.174 1.605 1.00 37.42 O ATOM 77 CB ILE A 15 49.387 44.715 -1.561 1.00 36.68 C ATOM 78 CG1 ILE A 15 50.640 45.026 -2.388 1.00 35.42 C ATOM 79 CG2 ILE A 15 48.350 45.820 -1.698 1.00 38.27 C ATOM 80 CD1 ILE A 15 50.434 45.001 -3.885 1.00 36.99 C ATOM 81 N LYS A 16 47.559 43.345 0.436 1.00 31.14 N ATOM 82 CA LYS A 16 46.275 43.157 1.104 1.00 35.56 C ATOM 83 C LYS A 16 45.776 41.737 1.121 1.00 42.19 C ATOM 84 O LYS A 16 45.771 41.048 0.090 1.00 33.50 O ATOM 85 CB LYS A 16 45.274 44.056 0.354 1.00 35.43 C ATOM 86 CG LYS A 16 43.931 44.181 1.043 1.00 42.77 C ATOM 87 CD LYS A 16 43.047 45.123 0.219 1.00 52.59 C ATOM 88 CE LYS A 16 41.881 45.644 1.036 1.00103.51 C ATOM 89 NZ LYS A 16 40.864 44.587 1.297 1.00 75.59 N ATOM 90 N ALA A 17 45.316 41.208 2.258 1.00 32.68 N ATOM 91 CA ALA A 17 44.654 39.898 2.152 1.00 26.00 C ATOM 92 C ALA A 17 43.242 40.102 1.637 1.00 36.09 C ATOM 93 O ALA A 17 42.553 41.030 2.081 1.00 35.45 O ATOM 94 CB ALA A 17 44.613 39.170 3.479 1.00 37.55 C ATOM 95 N ILE A 18 42.790 39.260 0.702 1.00 30.93 N ATOM 96 CA ILE A 18 41.467 39.501 0.146 1.00 29.97 C ATOM 97 C ILE A 18 40.422 38.500 0.597 1.00 42.34 C ATOM 98 O ILE A 18 39.256 38.835 0.725 1.00 40.03 O ATOM 99 CB ILE A 18 41.495 39.468 -1.405 1.00 31.11 C ATOM 100 CG1 ILE A 18 42.200 40.686 -2.010 1.00 38.90 C ATOM 101 CG2 ILE A 18 40.086 39.305 -1.944 1.00 34.82 C ATOM 102 CD1 ILE A 18 42.694 40.458 -3.419 1.00 52.29 C ATOM 103 N ASP A 19 40.808 37.244 0.791 1.00 27.91 N ATOM 104 CA ASP A 19 39.869 36.188 1.133 1.00 26.33 C ATOM 105 C ASP A 19 40.701 35.060 1.740 1.00 25.25 C ATOM 106 O ASP A 19 41.911 35.228 1.862 1.00 30.44 O ATOM 107 CB ASP A 19 39.145 35.659 -0.092 1.00 33.67 C ATOM 108 CG ASP A 19 37.708 35.295 0.168 1.00 56.53 C ATOM 109 OD1 ASP A 19 37.324 35.338 1.349 1.00 49.60 O ATOM 110 OD2 ASP A 19 37.005 34.979 -0.807 1.00 51.80 O ATOM 111 N GLY A 20 40.079 33.966 2.099 1.00 25.08 N ATOM 112 CA GLY A 20 40.880 32.891 2.712 1.00 27.58 C ATOM 113 C GLY A 20 41.867 32.333 1.696 1.00 35.91 C ATOM 114 O GLY A 20 42.939 31.862 2.075 1.00 26.69 O ATOM 115 N ASP A 21 41.499 32.393 0.413 1.00 27.29 N ATOM 116 CA ASP A 21 42.284 31.737 -0.637 1.00 34.84 C ATOM 117 C ASP A 21 42.981 32.723 -1.584 1.00 24.05 C ATOM 118 O ASP A 21 43.629 32.289 -2.552 1.00 28.52 O ATOM 119 CB ASP A 21 41.383 30.777 -1.440 1.00 31.00 C ATOM 120 CG ASP A 21 40.365 31.503 -2.297 1.00 36.80 C ATOM 121 OD1 ASP A 21 40.290 32.754 -2.347 1.00 46.22 O ATOM 122 OD2 ASP A 21 39.563 30.836 -2.994 1.00 46.44 O ATOM 123 N THR A 22 42.917 34.002 -1.323 1.00 22.60 N ATOM 124 CA THR A 22 43.441 35.050 -2.196 1.00 27.37 C ATOM 125 C THR A 22 44.098 36.172 -1.426 1.00 25.24 C ATOM 126 O THR A 22 43.556 36.732 -0.460 1.00 33.15 O ATOM 127 CB THR A 22 42.257 35.569 -3.057 1.00 27.58 C ATOM 128 OG1 THR A 22 41.654 34.426 -3.676 1.00 33.37 O ATOM 129 CG2 THR A 22 42.754 36.484 -4.161 1.00 32.05 C ATOM 130 N VAL A 23 45.299 36.511 -1.846 1.00 23.50 N ATOM 131 CA VAL A 23 46.074 37.607 -1.264 1.00 27.06 C ATOM 132 C VAL A 23 46.701 38.419 -2.399 1.00 37.77 C ATOM 133 O VAL A 23 47.127 37.884 -3.428 1.00 31.22 O ATOM 134 CB VAL A 23 47.146 37.085 -0.301 1.00 30.04 C ATOM 135 CG1AVAL A 23 46.542 36.197 0.788 0.55 39.14 C ATOM 136 CG1BVAL A 23 47.978 38.187 0.311 0.45 24.69 C ATOM 137 CG2AVAL A 23 48.207 36.326 -1.092 0.55 17.23 C ATOM 138 CG2BVAL A 23 46.502 36.249 0.830 0.45 21.95 C ATOM 139 N LYS A 24 46.757 39.727 -2.221 1.00 24.63 N ATOM 140 CA LYS A 24 47.429 40.639 -3.132 1.00 24.99 C ATOM 141 C LYS A 24 48.824 40.920 -2.630 1.00 28.87 C ATOM 142 O LYS A 24 48.921 41.332 -1.467 1.00 29.50 O ATOM 143 CB LYS A 24 46.641 41.939 -3.227 1.00 36.13 C ATOM 144 CG LYS A 24 46.756 42.742 -4.499 1.00 48.58 C ATOM 145 CD LYS A 24 45.408 42.848 -5.202 1.00127.81 C ATOM 146 CE LYS A 24 44.968 44.287 -5.408 1.00138.50 C ATOM 147 NZ LYS A 24 43.810 44.393 -6.342 1.00 76.63 N ATOM 148 N LEU A 25 49.853 40.718 -3.439 1.00 23.33 N ATOM 149 CA LEU A 25 51.240 40.893 -3.041 1.00 22.05 C ATOM 150 C LEU A 25 51.949 41.815 -4.038 1.00 39.64 C ATOM 151 O LEU A 25 51.527 41.942 -5.187 1.00 33.24 O ATOM 152 CB LEU A 25 52.017 39.579 -2.975 1.00 24.43 C ATOM 153 CG LEU A 25 51.456 38.437 -2.124 1.00 28.05 C ATOM 154 CD1 LEU A 25 52.263 37.154 -2.307 1.00 24.52 C ATOM 155 CD2 LEU A 25 51.446 38.798 -0.645 1.00 29.30 C ATOM 156 N MET A 26 53.016 42.455 -3.595 1.00 29.80 N ATOM 157 CA MET A 26 53.942 43.107 -4.515 1.00 33.46 C ATOM 158 C MET A 26 54.981 42.064 -4.882 1.00 28.01 C ATOM 159 O MET A 26 55.725 41.552 -4.041 1.00 35.89 O ATOM 160 CB MET A 26 54.599 44.330 -3.883 1.00 36.28 C ATOM 161 CG MET A 26 55.404 45.164 -4.870 1.00 53.83 C ATOM 162 SD MET A 26 54.334 46.121 -5.971 1.00 60.25 S ATOM 163 CE MET A 26 53.180 46.803 -4.797 1.00 42.30 C ATOM 164 N TYR A 27 55.044 41.696 -6.157 1.00 33.36 N ATOM 165 CA TYR A 27 55.973 40.644 -6.568 1.00 28.50 C ATOM 166 C TYR A 27 56.835 41.157 -7.716 1.00 41.48 C ATOM 167 O TYR A 27 56.274 41.575 -8.724 1.00 36.48 O ATOM 168 CB TYR A 27 55.191 39.404 -6.993 1.00 26.98 C ATOM 169 CG TYR A 27 56.068 38.345 -7.603 1.00 30.15 C ATOM 170 CD1 TYR A 27 57.050 37.672 -6.892 1.00 32.33 C ATOM 171 CD2 TYR A 27 55.894 38.046 -8.950 1.00 36.42 C ATOM 172 CE1 TYR A 27 57.839 36.713 -7.498 1.00 45.62 C ATOM 173 CE2 TYR A 27 56.677 37.087 -9.560 1.00 32.64 C ATOM 174 CZ TYR A 27 57.642 36.428 -8.834 1.00 49.75 C ATOM 175 OH TYR A 27 58.408 35.476 -9.470 1.00 44.94 O ATOM 176 N LYS A 28 58.133 41.156 -7.534 1.00 38.29 N ATOM 177 CA LYS A 28 59.078 41.724 -8.496 1.00 45.54 C ATOM 178 C LYS A 28 58.682 43.127 -8.917 1.00 46.74 C ATOM 179 O LYS A 28 58.697 43.452 -10.103 1.00 44.19 O ATOM 180 CB LYS A 28 59.155 40.870 -9.761 1.00 53.93 C ATOM 181 CG LYS A 28 59.880 39.551 -9.564 1.00 37.44 C ATOM 182 CD LYS A 28 59.430 38.553 -10.609 1.00104.39 C ATOM 183 CE LYS A 28 60.425 38.217 -11.694 1.00114.17 C ATOM 184 NZ LYS A 28 59.911 37.109 -12.559 1.00 76.46 N ATOM 185 N GLY A 29 58.313 43.950 -7.954 1.00 43.77 N ATOM 186 CA GLY A 29 57.931 45.314 -8.195 1.00 39.86 C ATOM 187 C GLY A 29 56.531 45.553 -8.694 1.00 55.03 C ATOM 188 O GLY A 29 56.183 46.719 -8.936 1.00 48.22 O ATOM 189 N GLN A 30 55.715 44.519 -8.856 1.00 50.59 N ATOM 190 CA GLN A 30 54.362 44.675 -9.383 1.00 53.57 C ATOM 191 C GLN A 30 53.261 44.179 -8.448 1.00 40.80 C ATOM 192 O GLN A 30 53.424 43.120 -7.832 1.00 42.16 O ATOM 193 CB GLN A 30 54.265 43.885 -10.696 1.00 41.35 C ATOM 194 CG GLN A 30 53.227 44.467 -11.648 1.00138.72 C ATOM 195 CD GLN A 30 53.489 45.934 -11.936 1.00157.91 C ATOM 196 OE1 GLN A 30 54.611 46.314 -12.277 1.00157.91 O ATOM 197 NE2 GLN A 30 52.459 46.762 -11.801 1.00157.91 N ATOM 198 N PRO A 31 52.150 44.886 -8.328 1.00 46.19 N ATOM 199 CA PRO A 31 51.054 44.376 -7.502 1.00 35.62 C ATOM 200 C PRO A 31 50.429 43.232 -8.292 1.00 54.64 C ATOM 201 O PRO A 31 50.235 43.400 -9.493 1.00 43.38 O ATOM 202 CB PRO A 31 50.047 45.499 -7.376 1.00 42.95 C ATOM 203 CG PRO A 31 50.671 46.666 -8.073 1.00 50.98 C ATOM 204 CD PRO A 31 51.787 46.172 -8.938 1.00 51.28 C ATOM 205 N MET A 32 50.155 42.136 -7.607 1.00 29.14 N ATOM 206 CA MET A 32 49.565 40.985 -8.317 1.00 29.77 C ATOM 207 C MET A 32 48.626 40.275 -7.366 1.00 34.48 C ATOM 208 O MET A 32 48.903 40.236 -6.160 1.00 37.30 O ATOM 209 CB MET A 32 50.695 40.079 -8.779 1.00 26.72 C ATOM 210 CG MET A 32 50.667 39.593 -10.210 1.00 77.89 C ATOM 211 SD MET A 32 52.084 38.482 -10.419 1.00 67.59 S ATOM 212 CE MET A 32 51.215 36.921 -10.369 1.00 46.52 C ATOM 213 N THR A 33 47.530 39.741 -7.845 1.00 25.19 N ATOM 214 CA THR A 33 46.667 38.922 -6.989 1.00 25.28 C ATOM 215 C THR A 33 47.113 37.470 -7.065 1.00 35.50 C ATOM 216 O THR A 33 47.337 37.014 -8.198 1.00 29.63 O ATOM 217 CB THR A 33 45.223 39.080 -7.472 1.00 30.65 C ATOM 218 OG1 THR A 33 44.942 40.494 -7.420 1.00 32.97 O ATOM 219 CG2 THR A 33 44.235 38.371 -6.572 1.00 27.35 C ATOM 220 N PHE A 34 47.262 36.780 -5.942 1.00 22.18 N ATOM 221 CA PHE A 34 47.688 35.402 -5.878 1.00 24.54 C ATOM 222 C PHE A 34 46.530 34.550 -5.381 1.00 29.27 C ATOM 223 O PHE A 34 45.872 34.896 -4.415 1.00 28.01 O ATOM 224 CB PHE A 34 48.927 35.127 -4.992 1.00 24.18 C ATOM 225 CG PHE A 34 50.232 35.515 -5.694 1.00 27.89 C ATOM 226 CD1 PHE A 34 50.634 36.841 -5.696 1.00 26.38 C ATOM 227 CD2 PHE A 34 51.008 34.557 -6.335 1.00 22.73 C ATOM 228 CE1 PHE A 34 51.805 37.199 -6.345 1.00 36.54 C ATOM 229 CE2 PHE A 34 52.186 34.923 -6.990 1.00 22.09 C ATOM 230 CZ PHE A 34 52.576 36.248 -7.002 1.00 25.32 C ATOM 231 N ARG A 35 46.293 33.446 -6.086 1.00 19.84 N ATOM 232 CA ARG A 35 45.332 32.451 -5.625 1.00 24.24 C ATOM 233 C ARG A 35 46.139 31.348 -4.952 1.00 33.43 C ATOM 234 O ARG A 35 47.160 30.891 -5.489 1.00 27.36 O ATOM 235 CB ARG A 35 44.563 31.905 -6.830 1.00 29.98 C ATOM 236 CG ARG A 35 43.735 30.658 -6.611 1.00 26.70 C ATOM 237 CD ARG A 35 42.498 30.933 -5.805 1.00 35.21 C ATOM 238 NE ARG A 35 41.461 29.914 -5.717 1.00 33.48 N ATOM 239 CZ ARG A 35 41.474 28.800 -4.996 1.00 45.87 C ATOM 240 NH1 ARG A 35 42.516 28.464 -4.236 1.00 28.88 N ATOM 241 NH2 ARG A 35 40.432 27.966 -5.014 1.00 36.44 N ATOM 242 N LEU A 36 45.781 30.833 -3.793 1.00 23.01 N ATOM 243 CA LEU A 36 46.649 29.811 -3.204 1.00 24.00 C ATOM 244 C LEU A 36 46.501 28.466 -3.912 1.00 21.89 C ATOM 245 O LEU A 36 45.368 27.975 -3.965 1.00 26.76 O ATOM 246 CB LEU A 36 46.219 29.611 -1.742 1.00 25.92 C ATOM 247 CG LEU A 36 46.515 30.666 -0.683 1.00 28.75 C ATOM 248 CD1ALEU A 36 45.964 30.214 0.682 0.75 26.45 C ATOM 249 CD1BLEU A 36 47.706 30.224 0.165 0.25 31.71 C ATOM 250 CD2ALEU A 36 47.993 30.952 -0.593 0.75 25.48 C ATOM 251 CD2BLEU A 36 46.799 32.047 -1.249 0.25 16.63 C ATOM 252 N LEU A 37 47.559 27.862 -4.420 1.00 22.28 N ATOM 253 CA LEU A 37 47.466 26.559 -5.069 1.00 26.22 C ATOM 254 C LEU A 37 46.935 25.434 -4.194 1.00 36.83 C ATOM 255 O LEU A 37 47.327 25.360 -3.035 1.00 25.26 O ATOM 256 CB LEU A 37 48.863 26.132 -5.536 1.00 24.65 C ATOM 257 CG LEU A 37 49.241 26.413 -6.987 1.00 35.50 C ATOM 258 CD1 LEU A 37 50.686 26.052 -7.269 1.00 28.13 C ATOM 259 CD2 LEU A 37 48.291 25.634 -7.884 1.00 29.80 C ATOM 260 N LEU A 38 46.095 24.568 -4.720 1.00 27.82 N ATOM 261 CA LEU A 38 45.740 23.239 -4.249 1.00 23.29 C ATOM 262 C LEU A 38 44.744 23.284 -3.111 1.00 28.49 C ATOM 263 O LEU A 38 44.375 22.257 -2.533 1.00 30.56 O ATOM 264 CB LEU A 38 46.973 22.461 -3.794 1.00 23.57 C ATOM 265 CG LEU A 38 47.978 22.053 -4.866 1.00 39.36 C ATOM 266 CD1 LEU A 38 48.976 21.049 -4.313 1.00 39.45 C ATOM 267 CD2 LEU A 38 47.261 21.493 -6.088 1.00 43.47 C ATOM 268 N VAL A 39 44.276 24.491 -2.775 1.00 23.90 N ATOM 269 CA VAL A 39 43.264 24.437 -1.703 1.00 26.11 C ATOM 270 C VAL A 39 42.013 25.219 -2.019 1.00 28.03 C ATOM 271 O VAL A 39 42.025 26.224 -2.723 1.00 38.19 O ATOM 272 CB VAL A 39 43.833 25.042 -0.390 1.00 36.32 C ATOM 273 CG1 VAL A 39 45.198 24.467 -0.075 1.00 31.39 C ATOM 274 CG2 VAL A 39 43.869 26.542 -0.552 1.00 32.89 C ATOM 275 N ASP A 40 40.905 24.753 -1.468 1.00 25.80 N ATOM 276 CA ASP A 40 39.681 25.498 -1.535 1.00 26.86 C ATOM 277 C ASP A 40 39.211 25.875 -0.135 1.00 31.80 C ATOM 278 O ASP A 40 38.958 24.967 0.669 1.00 32.96 O ATOM 279 CB ASP A 40 38.603 24.644 -2.215 1.00 36.88 C ATOM 280 CG ASP A 40 38.925 24.507 -3.697 1.00 82.01 C ATOM 281 OD1 ASP A 40 38.668 25.472 -4.444 1.00 71.46 O ATOM 282 OD2 ASP A 40 39.437 23.437 -4.088 1.00 95.99 O ATOM 283 N THR A 41 39.103 27.162 0.113 1.00 29.66 N ATOM 284 CA THR A 41 38.515 27.612 1.363 1.00 33.08 C ATOM 285 C THR A 41 37.056 27.997 1.188 1.00 39.90 C ATOM 286 O THR A 41 36.668 28.370 0.081 1.00 42.37 O ATOM 287 CB THR A 41 39.197 28.865 1.929 1.00 37.91 C ATOM 288 OG1 THR A 41 39.180 29.877 0.909 1.00 39.34 O ATOM 289 CG2 THR A 41 40.645 28.593 2.243 1.00 36.22 C ATOM 290 N PRO A 42 36.283 27.976 2.260 1.00 44.66 N ATOM 291 CA PRO A 42 34.942 28.583 2.132 1.00 55.17 C ATOM 292 C PRO A 42 35.207 30.051 1.810 1.00 44.54 C ATOM 293 O PRO A 42 36.236 30.562 2.284 1.00 47.50 O ATOM 294 CB PRO A 42 34.306 28.383 3.498 1.00 42.88 C ATOM 295 CG PRO A 42 35.132 27.327 4.166 1.00 40.74 C ATOM 296 CD PRO A 42 36.525 27.449 3.608 1.00 34.36 C ATOM 297 N GLU A 43 34.359 30.719 1.043 1.00 39.10 N ATOM 298 CA GLU A 43 34.631 32.114 0.694 1.00 64.41 C ATOM 299 C GLU A 43 33.600 33.086 1.278 1.00 42.74 C ATOM 300 O GLU A 43 32.500 32.664 1.595 1.00 41.34 O ATOM 301 CB GLU A 43 34.681 32.332 -0.820 1.00 41.67 C ATOM 302 CG GLU A 43 35.703 31.441 -1.524 1.00 53.11 C ATOM 303 CD GLU A 43 35.411 31.397 -3.017 1.00 98.27 C ATOM 304 OE1 GLU A 43 35.413 32.493 -3.618 1.00 56.08 O ATOM 305 OE2 GLU A 43 35.179 30.293 -3.552 1.00 70.92 O ATOM 306 N THR A 44 34.053 34.331 1.391 1.00 40.19 N ATOM 307 CA THR A 44 33.273 35.453 1.859 1.00 40.44 C ATOM 308 C THR A 44 32.689 36.199 0.648 1.00 62.76 C ATOM 309 O THR A 44 31.581 36.719 0.678 1.00 50.70 O ATOM 310 CB THR A 44 34.074 36.458 2.707 1.00 43.61 C ATOM 311 OG1 THR A 44 35.174 36.956 1.951 1.00 41.53 O ATOM 312 CG2 THR A 44 34.668 35.806 3.951 1.00 48.67 C ATOM 313 N LYS A 45 33.502 36.214 -0.399 1.00 94.62 N ATOM 314 CA LYS A 45 33.161 36.777 -1.691 1.00 86.97 C ATOM 315 C LYS A 45 32.952 35.629 -2.678 1.00103.34 C ATOM 316 O LYS A 45 33.803 35.444 -3.552 1.00 58.22 O ATOM 317 CB LYS A 45 34.246 37.696 -2.242 1.00 88.45 C ATOM 318 CG LYS A 45 34.551 38.945 -1.439 1.00 66.54 C ATOM 319 CD LYS A 45 36.051 39.140 -1.276 1.00 66.03 C ATOM 320 CE LYS A 45 36.636 39.880 -2.469 1.00100.12 C ATOM 321 NZ LYS A 45 36.363 41.343 -2.419 1.00109.48 N ATOM 322 N HIS A 46 31.858 34.889 -2.513 1.00 98.75 N ATOM 323 CA HIS A 46 31.619 33.782 -3.434 1.00152.55 C ATOM 324 C HIS A 46 30.733 34.237 -4.599 1.00145.02 C ATOM 325 O HIS A 46 29.677 34.830 -4.380 1.00 60.69 O ATOM 326 CB HIS A 46 30.986 32.561 -2.763 1.00157.91 C ATOM 327 CG HIS A 46 30.900 31.388 -3.700 1.00146.85 C ATOM 328 ND1 HIS A 46 29.836 31.180 -4.549 1.00 70.09 N ATOM 329 CD2 HIS A 46 31.758 30.366 -3.926 1.00142.22 C ATOM 330 CE1 HIS A 46 30.038 30.080 -5.251 1.00 74.65 C ATOM 331 NE2 HIS A 46 31.202 29.564 -4.892 1.00100.61 N ATOM 332 N PRO A 47 31.233 33.920 -5.790 1.00124.67 N ATOM 333 CA PRO A 47 30.562 34.245 -7.046 1.00141.62 C ATOM 334 C PRO A 47 29.061 33.973 -6.972 1.00144.66 C ATOM 335 O PRO A 47 28.259 34.769 -7.463 1.00 75.53 O ATOM 336 CB PRO A 47 31.217 33.282 -8.039 1.00129.84 C ATOM 337 CG PRO A 47 32.584 33.040 -7.497 1.00100.64 C ATOM 338 CD PRO A 47 32.505 33.207 -6.010 1.00118.57 C ATOM 339 N LYS A 48 28.715 32.851 -6.349 1.00111.22 N ATOM 340 CA LYS A 48 27.337 32.394 -6.286 1.00 86.72 C ATOM 341 C LYS A 48 26.732 32.473 -4.893 1.00 99.30 C ATOM 342 O LYS A 48 25.781 33.227 -4.664 1.00 63.37 O ATOM 343 CB LYS A 48 27.255 30.947 -6.796 1.00 86.95 C ATOM 344 CG LYS A 48 26.875 30.835 -8.264 1.00 92.84 C ATOM 345 CD LYS A 48 27.773 29.853 -8.998 1.00108.59 C ATOM 346 CE LYS A 48 26.974 28.823 -9.775 1.00113.61 C ATOM 347 NZ LYS A 48 26.238 27.889 -8.877 1.00116.48 N ATOM 348 N LYS A 49 27.254 31.692 -3.952 1.00111.04 N ATOM 349 CA LYS A 49 26.611 31.614 -2.642 1.00120.31 C ATOM 350 C LYS A 49 26.765 32.893 -1.829 1.00 91.77 C ATOM 351 O LYS A 49 25.760 33.429 -1.354 1.00157.72 O ATOM 352 CB LYS A 49 27.151 30.418 -1.847 1.00 87.76 C ATOM 353 CG LYS A 49 26.357 30.133 -0.579 1.00 76.96 C ATOM 354 CD LYS A 49 24.931 29.709 -0.897 1.00145.89 C ATOM 355 CE LYS A 49 24.673 28.268 -0.487 1.00156.65 C ATOM 356 NZ LYS A 49 23.579 27.636 -1.276 1.00 89.57 N ATOM 357 N GLY A 50 27.988 33.386 -1.650 1.00116.29 N ATOM 358 CA GLY A 50 28.202 34.603 -0.886 1.00139.32 C ATOM 359 C GLY A 50 29.204 34.464 0.247 1.00118.70 C ATOM 360 O GLY A 50 30.402 34.400 -0.036 1.00 60.29 O ATOM 361 N VAL A 51 28.710 34.438 1.481 1.00 65.96 N ATOM 362 CA VAL A 51 29.487 34.246 2.697 1.00103.38 C ATOM 363 C VAL A 51 29.223 32.844 3.259 1.00 85.74 C ATOM 364 O VAL A 51 28.350 32.658 4.108 1.00 68.59 O ATOM 365 CB VAL A 51 29.200 35.258 3.823 1.00 56.72 C ATOM 366 CG1 VAL A 51 30.182 35.034 4.977 1.00 61.84 C ATOM 367 CG2 VAL A 51 29.289 36.717 3.397 1.00 52.38 C ATOM 368 N GLU A 52 29.961 31.836 2.800 1.00 46.01 N ATOM 369 CA GLU A 52 29.729 30.489 3.316 1.00 38.58 C ATOM 370 C GLU A 52 30.272 30.271 4.721 1.00 51.49 C ATOM 371 O GLU A 52 31.038 31.095 5.216 1.00 49.14 O ATOM 372 CB GLU A 52 30.386 29.476 2.373 1.00 41.97 C ATOM 373 CG GLU A 52 30.615 30.024 0.962 1.00 51.45 C ATOM 374 CD GLU A 52 31.448 29.041 0.152 1.00 45.61 C ATOM 375 OE1 GLU A 52 32.633 29.341 -0.107 1.00 58.21 O ATOM 376 OE2 GLU A 52 30.939 27.961 -0.223 1.00 62.97 O ATOM 377 N LYS A 53 29.884 29.156 5.319 1.00 42.92 N ATOM 378 CA LYS A 53 30.278 28.704 6.634 1.00 48.59 C ATOM 379 C LYS A 53 31.773 28.415 6.761 1.00 54.35 C ATOM 380 O LYS A 53 32.276 27.580 6.007 1.00 59.62 O ATOM 381 CB LYS A 53 29.525 27.403 6.985 1.00 47.71 C ATOM 382 CG LYS A 53 29.770 26.977 8.424 1.00 59.38 C ATOM 383 CD LYS A 53 28.557 26.279 9.015 1.00 83.62 C ATOM 384 CE LYS A 53 28.270 26.783 10.422 1.00122.01 C ATOM 385 NZ LYS A 53 29.430 26.577 11.336 1.00 60.64 N ATOM 386 N TYR A 54 32.436 29.067 7.703 1.00 56.21 N ATOM 387 CA TYR A 54 33.870 29.004 7.946 1.00 37.20 C ATOM 388 C TYR A 54 34.612 29.974 7.016 1.00 42.20 C ATOM 389 O TYR A 54 35.832 30.178 7.067 1.00 39.50 O ATOM 390 CB TYR A 54 34.402 27.569 7.822 1.00 36.02 C ATOM 391 CG TYR A 54 33.940 26.729 9.002 1.00 35.79 C ATOM 392 CD1 TYR A 54 34.473 26.961 10.267 1.00 52.45 C ATOM 393 CD2 TYR A 54 32.978 25.744 8.838 1.00 49.62 C ATOM 394 CE1 TYR A 54 34.066 26.214 11.358 1.00 53.44 C ATOM 395 CE2 TYR A 54 32.566 24.993 9.927 1.00 56.98 C ATOM 396 CZ TYR A 54 33.110 25.235 11.171 1.00 56.03 C ATOM 397 OH TYR A 54 32.697 24.484 12.248 1.00 75.33 O ATOM 398 N GLY A 55 33.871 30.649 6.146 1.00 45.75 N ATOM 399 CA GLY A 55 34.421 31.660 5.248 1.00 36.83 C ATOM 400 C GLY A 55 35.115 32.767 6.003 1.00 43.99 C ATOM 401 O GLY A 55 36.298 33.049 5.815 1.00 40.29 O ATOM 402 N PRO A 56 34.389 33.463 6.870 1.00 36.70 N ATOM 403 CA PRO A 56 35.034 34.527 7.646 1.00 28.24 C ATOM 404 C PRO A 56 36.225 34.005 8.439 1.00 30.61 C ATOM 405 O PRO A 56 37.261 34.655 8.593 1.00 32.31 O ATOM 406 CB PRO A 56 33.907 34.968 8.584 1.00 50.05 C ATOM 407 CG PRO A 56 32.639 34.581 7.898 1.00 38.83 C ATOM 408 CD PRO A 56 32.948 33.322 7.133 1.00 39.03 C ATOM 409 N GLU A 57 36.056 32.784 8.958 1.00 36.62 N ATOM 410 CA GLU A 57 37.144 32.222 9.742 1.00 34.06 C ATOM 411 C GLU A 57 38.374 31.880 8.908 1.00 35.95 C ATOM 412 O GLU A 57 39.508 32.077 9.336 1.00 33.26 O ATOM 413 CB GLU A 57 36.675 30.933 10.436 1.00 35.35 C ATOM 414 CG GLU A 57 35.857 31.262 11.681 1.00 47.21 C ATOM 415 CD GLU A 57 34.380 31.397 11.378 1.00 53.93 C ATOM 416 OE1 GLU A 57 34.005 31.317 10.187 1.00 50.52 O ATOM 417 OE2 GLU A 57 33.592 31.584 12.327 1.00 93.54 O ATOM 418 N ALA A 58 38.128 31.331 7.710 1.00 33.72 N ATOM 419 CA ALA A 58 39.284 31.006 6.848 1.00 28.08 C ATOM 420 C ALA A 58 39.974 32.292 6.475 1.00 23.08 C ATOM 421 O ALA A 58 41.173 32.534 6.400 1.00 27.25 O ATOM 422 CB ALA A 58 38.752 30.203 5.673 1.00 27.85 C ATOM 423 N SER A 59 39.102 33.285 6.214 1.00 29.00 N ATOM 424 CA SER A 59 39.658 34.544 5.742 1.00 31.71 C ATOM 425 C SER A 59 40.378 35.256 6.864 1.00 45.23 C ATOM 426 O SER A 59 41.390 35.926 6.646 1.00 29.86 O ATOM 427 CB SER A 59 38.498 35.355 5.131 1.00 29.84 C ATOM 428 OG SER A 59 38.922 36.689 5.002 1.00 38.43 O ATOM 429 N ALA A 60 39.927 35.137 8.123 1.00 31.16 N ATOM 430 CA ALA A 60 40.719 35.796 9.178 1.00 36.35 C ATOM 431 C ALA A 60 42.059 35.118 9.416 1.00 24.50 C ATOM 432 O ALA A 60 43.075 35.730 9.759 1.00 29.81 O ATOM 433 CB ALA A 60 39.901 35.837 10.472 1.00 31.90 C ATOM 434 N PHE A 61 42.073 33.797 9.259 1.00 28.70 N ATOM 435 CA PHE A 61 43.284 33.002 9.493 1.00 25.22 C ATOM 436 C PHE A 61 44.339 33.414 8.483 1.00 35.31 C ATOM 437 O PHE A 61 45.494 33.678 8.796 1.00 26.96 O ATOM 438 CB PHE A 61 42.884 31.532 9.437 1.00 23.96 C ATOM 439 CG PHE A 61 44.021 30.566 9.729 1.00 30.02 C ATOM 440 CD1 PHE A 61 44.983 30.219 8.794 1.00 30.30 C ATOM 441 CD2 PHE A 61 44.126 29.991 10.986 1.00 36.36 C ATOM 442 CE1 PHE A 61 46.031 29.353 9.073 1.00 34.42 C ATOM 443 CE2 PHE A 61 45.173 29.127 11.278 1.00 45.82 C ATOM 444 CZ PHE A 61 46.129 28.794 10.327 1.00 35.81 C ATOM 445 N THR A 62 43.997 33.464 7.187 1.00 30.48 N ATOM 446 CA THR A 62 44.999 33.862 6.176 1.00 26.34 C ATOM 447 C THR A 62 45.507 35.272 6.407 1.00 26.58 C ATOM 448 O THR A 62 46.689 35.617 6.404 1.00 30.93 O ATOM 449 CB THR A 62 44.348 33.739 4.778 1.00 25.72 C ATOM 450 OG1 THR A 62 44.013 32.358 4.531 1.00 25.79 O ATOM 451 CG2 THR A 62 45.333 34.228 3.726 1.00 27.32 C ATOM 452 N LYS A 63 44.582 36.198 6.648 1.00 27.12 N ATOM 453 CA LYS A 63 44.889 37.588 6.954 1.00 31.01 C ATOM 454 C LYS A 63 45.884 37.708 8.101 1.00 30.23 C ATOM 455 O LYS A 63 46.943 38.328 8.059 1.00 30.84 O ATOM 456 CB LYS A 63 43.578 38.289 7.362 1.00 29.09 C ATOM 457 CG LYS A 63 43.777 39.742 7.802 1.00 29.60 C ATOM 458 CD LYS A 63 42.443 40.478 7.786 1.00 45.50 C ATOM 459 CE LYS A 63 42.621 41.977 7.598 1.00 44.98 C ATOM 460 NZ LYS A 63 43.484 42.573 8.650 1.00 60.27 N ATOM 461 N LYS A 64 45.545 37.072 9.228 1.00 29.32 N ATOM 462 CA LYS A 64 46.459 37.191 10.378 1.00 26.81 C ATOM 463 C LYS A 64 47.828 36.630 10.101 1.00 29.84 C ATOM 464 O LYS A 64 48.883 37.140 10.474 1.00 34.85 O ATOM 465 CB LYS A 64 45.910 36.429 11.593 1.00 36.87 C ATOM 466 CG LYS A 64 44.654 37.025 12.208 1.00 89.32 C ATOM 467 CD LYS A 64 44.118 36.169 13.346 1.00123.43 C ATOM 468 CE LYS A 64 44.820 36.455 14.662 1.00151.06 C ATOM 469 NZ LYS A 64 44.208 35.733 15.813 1.00126.28 N ATOM 470 N MET A 65 47.775 35.488 9.404 1.00 26.38 N ATOM 471 CA MET A 65 49.055 34.825 9.166 1.00 28.10 C ATOM 472 C MET A 65 49.925 35.668 8.275 1.00 31.24 C ATOM 473 O MET A 65 51.130 35.783 8.503 1.00 29.81 O ATOM 474 CB MET A 65 48.762 33.438 8.575 1.00 44.78 C ATOM 475 CG MET A 65 49.970 32.524 8.657 1.00 38.44 C ATOM 476 SD MET A 65 49.557 30.842 8.142 1.00 34.38 S ATOM 477 CE MET A 65 51.202 30.282 7.719 1.00 37.08 C ATOM 478 N VAL A 66 49.342 36.307 7.246 1.00 27.16 N ATOM 479 CA VAL A 66 50.274 37.077 6.388 1.00 27.26 C ATOM 480 C VAL A 66 50.578 38.458 6.950 1.00 29.20 C ATOM 481 O VAL A 66 51.643 39.052 6.725 1.00 33.26 O ATOM 482 CB VAL A 66 49.740 37.198 4.945 1.00 28.46 C ATOM 483 CG1 VAL A 66 49.779 35.803 4.334 1.00 32.33 C ATOM 484 CG2 VAL A 66 48.335 37.757 4.848 1.00 25.76 C ATOM 485 N GLU A 67 49.609 38.997 7.677 1.00 27.76 N ATOM 486 CA GLU A 67 49.839 40.357 8.197 1.00 29.04 C ATOM 487 C GLU A 67 50.887 40.367 9.299 1.00 30.21 C ATOM 488 O GLU A 67 51.573 41.384 9.471 1.00 43.76 O ATOM 489 CB GLU A 67 48.514 40.930 8.691 1.00 32.52 C ATOM 490 CG GLU A 67 48.032 42.182 7.981 1.00 63.05 C ATOM 491 CD GLU A 67 46.546 42.407 8.194 1.00 57.72 C ATOM 492 OE1 GLU A 67 46.076 42.157 9.324 1.00 45.70 O ATOM 493 OE2 GLU A 67 45.858 42.825 7.241 1.00 41.06 O ATOM 494 N ASN A 68 50.995 39.276 10.045 1.00 35.45 N ATOM 495 CA ASN A 68 51.915 39.241 11.177 1.00 35.13 C ATOM 496 C ASN A 68 53.259 38.618 10.847 1.00 46.59 C ATOM 497 O ASN A 68 54.029 38.347 11.771 1.00 38.88 O ATOM 498 CB ASN A 68 51.297 38.465 12.353 1.00 38.70 C ATOM 499 CG ASN A 68 50.133 39.207 12.978 1.00 68.08 C ATOM 500 OD1 ASN A 68 50.250 40.379 13.348 1.00 56.18 O ATOM 501 ND2 ASN A 68 49.003 38.516 13.087 1.00 58.24 N ATOM 502 N ALA A 69 53.548 38.389 9.574 1.00 40.39 N ATOM 503 CA ALA A 69 54.801 37.753 9.166 1.00 32.43 C ATOM 504 C ALA A 69 55.930 38.758 9.022 1.00 34.59 C ATOM 505 O ALA A 69 55.717 39.902 8.623 1.00 39.86 O ATOM 506 CB ALA A 69 54.606 37.044 7.833 1.00 29.68 C ATOM 507 N LYS A 70 57.148 38.341 9.320 1.00 33.63 N ATOM 508 CA LYS A 70 58.285 39.181 8.990 1.00 45.79 C ATOM 509 C LYS A 70 58.632 39.056 7.494 1.00 38.49 C ATOM 510 O LYS A 70 59.033 40.042 6.869 1.00 29.93 O ATOM 511 CB LYS A 70 59.562 38.802 9.740 1.00 32.71 C ATOM 512 CG LYS A 70 59.418 38.361 11.183 1.00 61.88 C ATOM 513 CD LYS A 70 60.711 38.667 11.942 1.00 40.26 C ATOM 514 CE LYS A 70 61.647 37.477 11.969 1.00 46.38 C ATOM 515 NZ LYS A 70 62.834 37.667 12.854 1.00 35.87 N ATOM 516 N LYS A 71 58.536 37.830 6.981 1.00 29.68 N ATOM 517 CA LYS A 71 58.923 37.577 5.591 1.00 33.16 C ATOM 518 C LYS A 71 57.824 36.808 4.853 1.00 28.73 C ATOM 519 O LYS A 71 57.412 35.805 5.438 1.00 30.89 O ATOM 520 CB LYS A 71 60.186 36.726 5.534 1.00 31.17 C ATOM 521 CG LYS A 71 61.472 37.419 5.959 1.00 41.64 C ATOM 522 CD LYS A 71 62.594 36.388 6.023 1.00 45.02 C ATOM 523 CE LYS A 71 63.787 36.939 6.791 1.00128.90 C ATOM 524 NZ LYS A 71 64.218 36.027 7.888 1.00157.91 N ATOM 525 N ILE A 72 57.423 37.245 3.678 1.00 33.22 N ATOM 526 CA ILE A 72 56.496 36.459 2.826 1.00 27.18 C ATOM 527 C ILE A 72 57.275 35.971 1.603 1.00 30.03 C ATOM 528 O ILE A 72 58.065 36.717 1.013 1.00 26.31 O ATOM 529 CB ILE A 72 55.273 37.251 2.400 1.00 24.91 C ATOM 530 CG1 ILE A 72 54.420 37.675 3.603 1.00 33.36 C ATOM 531 CG2 ILE A 72 54.403 36.489 1.382 1.00 29.98 C ATOM 532 CD1AILE A 72 53.452 38.800 3.358 0.57 35.70 C ATOM 533 CD1BILE A 72 53.589 36.561 4.191 0.43 24.61 C ATOM 534 N GLU A 73 57.057 34.698 1.252 1.00 25.98 N ATOM 535 CA GLU A 73 57.786 34.197 0.082 1.00 22.30 C ATOM 536 C GLU A 73 56.750 33.524 -0.824 1.00 36.92 C ATOM 537 O GLU A 73 55.795 33.001 -0.273 1.00 27.06 O ATOM 538 CB GLU A 73 58.872 33.196 0.417 1.00 22.65 C ATOM 539 CG GLU A 73 60.061 33.895 1.108 1.00 28.59 C ATOM 540 CD GLU A 73 60.938 32.833 1.740 1.00 36.84 C ATOM 541 OE1 GLU A 73 60.423 32.085 2.599 1.00 39.74 O ATOM 542 OE2 GLU A 73 62.098 32.772 1.316 1.00 39.11 O ATOM 543 N VAL A 74 56.944 33.540 -2.140 1.00 28.43 N ATOM 544 CA VAL A 74 55.983 32.831 -2.990 1.00 24.15 C ATOM 545 C VAL A 74 56.779 31.717 -3.663 1.00 22.88 C ATOM 546 O VAL A 74 57.956 31.948 -3.911 1.00 28.98 O ATOM 547 CB VAL A 74 55.324 33.735 -4.034 1.00 39.01 C ATOM 548 CG1 VAL A 74 54.562 34.886 -3.388 1.00 30.31 C ATOM 549 CG2 VAL A 74 56.387 34.277 -4.976 1.00 45.55 C ATOM 550 N GLU A 75 56.088 30.608 -3.909 1.00 22.72 N ATOM 551 CA GLU A 75 56.721 29.488 -4.601 1.00 26.60 C ATOM 552 C GLU A 75 55.823 29.056 -5.757 1.00 26.32 C ATOM 553 O GLU A 75 54.777 28.491 -5.468 1.00 25.20 O ATOM 554 CB GLU A 75 56.872 28.327 -3.640 1.00 25.93 C ATOM 555 CG GLU A 75 57.597 27.104 -4.119 1.00 31.15 C ATOM 556 CD GLU A 75 57.729 26.086 -2.997 1.00 29.51 C ATOM 557 OE1 GLU A 75 56.693 25.736 -2.414 1.00 30.53 O ATOM 558 OE2 GLU A 75 58.853 25.673 -2.693 1.00 46.52 O ATOM 559 N PHE A 76 56.229 29.328 -6.992 1.00 27.23 N ATOM 560 CA PHE A 76 55.446 28.796 -8.112 1.00 29.18 C ATOM 561 C PHE A 76 55.679 27.284 -8.251 1.00 27.90 C ATOM 562 O PHE A 76 56.715 26.767 -7.838 1.00 30.09 O ATOM 563 CB PHE A 76 55.833 29.548 -9.391 1.00 30.65 C ATOM 564 CG PHE A 76 55.308 30.979 -9.470 1.00 27.97 C ATOM 565 CD1 PHE A 76 53.987 31.247 -9.729 1.00 27.55 C ATOM 566 CD2 PHE A 76 56.175 32.048 -9.282 1.00 32.64 C ATOM 567 CE1 PHE A 76 53.487 32.531 -9.788 1.00 29.40 C ATOM 568 CE2 PHE A 76 55.702 33.345 -9.338 1.00 39.32 C ATOM 569 CZ PHE A 76 54.366 33.589 -9.605 1.00 33.35 C ATOM 570 N ASP A 77 54.732 26.552 -8.832 1.00 22.49 N ATOM 571 CA ASP A 77 54.888 25.126 -9.122 1.00 22.51 C ATOM 572 C ASP A 77 55.448 24.946 -10.549 1.00 32.06 C ATOM 573 O ASP A 77 55.896 25.924 -11.145 1.00 27.98 O ATOM 574 CB ASP A 77 53.564 24.393 -9.023 1.00 25.61 C ATOM 575 CG ASP A 77 53.771 22.955 -8.550 1.00 37.72 C ATOM 576 OD1 ASP A 77 54.795 22.339 -8.893 1.00 35.69 O ATOM 577 OD2 ASP A 77 52.878 22.459 -7.830 1.00 33.36 O ATOM 578 N LYS A 78 55.436 23.744 -11.101 1.00 36.24 N ATOM 579 CA LYS A 78 56.104 23.484 -12.380 1.00 35.25 C ATOM 580 C LYS A 78 55.248 23.749 -13.617 1.00 36.10 C ATOM 581 O LYS A 78 55.809 23.634 -14.710 1.00 40.72 O ATOM 582 CB ALYS A 78 56.579 22.028 -12.440 0.34 31.79 C ATOM 583 CB BLYS A 78 56.499 22.002 -12.438 0.66 23.94 C ATOM 584 CG ALYS A 78 55.444 21.044 -12.219 0.34 24.56 C ATOM 585 CG BLYS A 78 57.316 21.507 -11.249 0.66 30.38 C ATOM 586 CD ALYS A 78 55.552 20.396 -10.845 0.34 57.31 C ATOM 587 CD BLYS A 78 57.131 20.010 -11.062 0.66 39.50 C ATOM 588 CE ALYS A 78 55.385 18.886 -10.918 0.34 41.23 C ATOM 589 CE BLYS A 78 58.476 19.300 -11.112 0.66 66.04 C ATOM 590 NZ ALYS A 78 55.702 18.230 -9.615 0.34 46.83 N ATOM 591 NZ BLYS A 78 59.486 20.012 -10.275 0.66 45.06 N ATOM 592 N GLY A 79 53.965 24.042 -13.486 1.00 30.04 N ATOM 593 CA GLY A 79 53.050 24.175 -14.613 1.00 28.57 C ATOM 594 C GLY A 79 52.729 25.655 -14.773 1.00 25.19 C ATOM 595 O GLY A 79 53.583 26.482 -14.475 1.00 33.62 O ATOM 596 N GLN A 80 51.522 25.966 -15.218 1.00 27.12 N ATOM 597 CA GLN A 80 51.110 27.334 -15.450 1.00 25.04 C ATOM 598 C GLN A 80 51.221 28.185 -14.184 1.00 29.37 C ATOM 599 O GLN A 80 50.860 27.689 -13.113 1.00 27.16 O ATOM 600 CB GLN A 80 49.639 27.328 -15.918 1.00 37.60 C ATOM 601 CG GLN A 80 49.471 26.367 -17.090 1.00 75.01 C ATOM 602 CD AGLN A 80 49.056 24.986 -16.612 0.75 84.35 C ATOM 603 CD BGLN A 80 48.355 25.370 -16.880 0.25 49.81 C ATOM 604 OE1AGLN A 80 49.793 24.302 -15.897 0.75 39.79 O ATOM 605 OE1BGLN A 80 47.240 25.623 -17.329 0.25 27.81 O ATOM 606 NE2AGLN A 80 47.861 24.572 -17.017 0.75157.91 N ATOM 607 NE2BGLN A 80 48.650 24.265 -16.210 0.25131.07 N ATOM 608 N ARG A 81 51.703 29.393 -14.330 1.00 25.97 N ATOM 609 CA ARG A 81 51.864 30.236 -13.131 1.00 24.96 C ATOM 610 C ARG A 81 50.731 31.234 -12.949 1.00 34.22 C ATOM 611 O ARG A 81 50.641 31.946 -11.927 1.00 28.92 O ATOM 612 CB ARG A 81 53.234 30.915 -13.208 1.00 26.11 C ATOM 613 CG AARG A 81 54.425 29.983 -13.112 0.45 28.71 C ATOM 614 CG BARG A 81 54.344 29.883 -13.387 0.55 31.63 C ATOM 615 CD AARG A 81 55.721 30.739 -13.380 0.45 25.77 C ATOM 616 CD BARG A 81 55.622 30.271 -12.677 0.55 56.08 C ATOM 617 NE AARG A 81 56.898 30.007 -12.935 0.45 48.02 N ATOM 618 NE BARG A 81 56.826 29.714 -13.261 0.55 50.71 N ATOM 619 CZ AARG A 81 58.074 30.531 -12.617 0.45 31.42 C ATOM 620 CZ BARG A 81 57.119 28.471 -13.590 0.55 56.64 C ATOM 621 NH1AARG A 81 58.283 31.838 -12.681 0.45 36.87 N ATOM 622 NH1BARG A 81 56.254 27.482 -13.407 0.55 28.00 N ATOM 623 NH2AARG A 81 59.059 29.732 -12.224 0.45 34.76 N ATOM 624 NH2BARG A 81 58.310 28.199 -14.122 0.55 48.98 N ATOM 625 N THR A 82 49.814 31.368 -13.910 1.00 28.17 N ATOM 626 CA THR A 82 48.656 32.257 -13.699 1.00 24.23 C ATOM 627 C THR A 82 47.384 31.554 -14.101 1.00 31.95 C ATOM 628 O THR A 82 47.374 30.593 -14.888 1.00 29.95 O ATOM 629 CB THR A 82 48.813 33.590 -14.453 1.00 36.63 C ATOM 630 OG1 THR A 82 48.751 33.290 -15.845 1.00 39.92 O ATOM 631 CG2 THR A 82 50.153 34.272 -14.238 1.00 26.15 C ATOM 632 N ASP A 83 46.228 31.970 -13.581 1.00 22.39 N ATOM 633 CA ASP A 83 45.013 31.274 -14.028 1.00 24.43 C ATOM 634 C ASP A 83 44.320 32.173 -15.060 1.00 28.52 C ATOM 635 O ASP A 83 44.883 33.184 -15.487 1.00 29.16 O ATOM 636 CB ASP A 83 44.096 30.918 -12.865 1.00 31.18 C ATOM 637 CG ASP A 83 43.572 32.109 -12.095 1.00 27.36 C ATOM 638 OD1 ASP A 83 43.702 33.266 -12.570 1.00 28.89 O ATOM 639 OD2 ASP A 83 42.970 31.957 -11.006 1.00 30.23 O ATOM 640 N LYS A 84 43.086 31.823 -15.409 1.00 29.89 N ATOM 641 CA LYS A 84 42.431 32.589 -16.489 1.00 43.16 C ATOM 642 C LYS A 84 42.007 33.968 -16.026 1.00 37.05 C ATOM 643 O LYS A 84 41.652 34.829 -16.822 1.00 34.35 O ATOM 644 CB LYS A 84 41.255 31.776 -17.035 1.00 33.97 C ATOM 645 CG LYS A 84 40.004 31.766 -16.170 1.00 34.23 C ATOM 646 CD LYS A 84 38.980 30.796 -16.733 1.00 43.94 C ATOM 647 CE LYS A 84 38.299 29.953 -15.673 1.00 55.34 C ATOM 648 NZ LYS A 84 37.238 30.695 -14.940 1.00 93.41 N ATOM 649 N TYR A 85 42.039 34.271 -14.726 1.00 30.75 N ATOM 650 CA TYR A 85 41.697 35.610 -14.248 1.00 26.73 C ATOM 651 C TYR A 85 42.931 36.451 -14.023 1.00 33.52 C ATOM 652 O TYR A 85 42.848 37.597 -13.581 1.00 35.79 O ATOM 653 CB TYR A 85 40.872 35.550 -12.954 1.00 30.56 C ATOM 654 CG TYR A 85 39.569 34.808 -13.156 1.00 34.09 C ATOM 655 CD1 TYR A 85 38.476 35.494 -13.693 1.00 32.82 C ATOM 656 CD2 TYR A 85 39.424 33.467 -12.851 1.00 29.33 C ATOM 657 CE1 TYR A 85 37.280 34.820 -13.890 1.00 35.03 C ATOM 658 CE2 TYR A 85 38.239 32.788 -13.039 1.00 30.86 C ATOM 659 CZ TYR A 85 37.163 33.491 -13.564 1.00 38.37 C ATOM 660 OH TYR A 85 35.956 32.869 -13.778 1.00 41.56 O ATOM 661 N GLY A 86 44.099 35.888 -14.342 1.00 31.01 N ATOM 662 CA GLY A 86 45.310 36.728 -14.250 1.00 31.26 C ATOM 663 C GLY A 86 45.926 36.614 -12.867 1.00 23.91 C ATOM 664 O GLY A 86 46.910 37.272 -12.531 1.00 30.46 O ATOM 665 N ARG A 87 45.333 35.721 -12.060 1.00 25.28 N ATOM 666 CA ARG A 87 45.946 35.527 -10.734 1.00 28.81 C ATOM 667 C ARG A 87 47.133 34.583 -10.704 1.00 24.29 C ATOM 668 O ARG A 87 47.082 33.501 -11.293 1.00 26.73 O ATOM 669 CB ARG A 87 44.880 34.946 -9.796 1.00 25.41 C ATOM 670 CG ARG A 87 43.635 35.814 -9.675 1.00 25.28 C ATOM 671 CD ARG A 87 42.723 35.207 -8.620 1.00 31.79 C ATOM 672 NE ARG A 87 42.090 33.983 -9.115 1.00 35.76 N ATOM 673 CZ ARG A 87 41.152 33.323 -8.445 1.00 42.86 C ATOM 674 NH1 ARG A 87 40.700 33.710 -7.257 1.00 36.24 N ATOM 675 NH2 ARG A 87 40.688 32.233 -9.030 1.00 37.47 N ATOM 676 N GLY A 88 48.189 34.944 -9.975 1.00 23.97 N ATOM 677 CA GLY A 88 49.335 34.064 -9.747 1.00 25.87 C ATOM 678 C GLY A 88 48.901 32.794 -9.048 1.00 27.32 C ATOM 679 O GLY A 88 48.038 32.888 -8.170 1.00 28.70 O ATOM 680 N LEU A 89 49.436 31.636 -9.413 1.00 21.68 N ATOM 681 CA LEU A 89 49.120 30.364 -8.780 1.00 24.05 C ATOM 682 C LEU A 89 50.328 29.896 -7.984 1.00 35.66 C ATOM 683 O LEU A 89 51.349 29.535 -8.575 1.00 25.73 O ATOM 684 CB LEU A 89 48.719 29.291 -9.807 1.00 27.49 C ATOM 685 CG LEU A 89 47.394 29.565 -10.526 1.00 29.57 C ATOM 686 CD1 LEU A 89 47.225 28.613 -11.707 1.00 30.36 C ATOM 687 CD2 LEU A 89 46.237 29.438 -9.545 1.00 27.39 C ATOM 688 N ALA A 90 50.223 29.897 -6.635 1.00 20.81 N ATOM 689 CA ALA A 90 51.494 29.706 -5.921 1.00 22.03 C ATOM 690 C ALA A 90 51.307 29.119 -4.519 1.00 21.98 C ATOM 691 O ALA A 90 50.188 29.191 -4.010 1.00 21.84 O ATOM 692 CB ALA A 90 52.190 31.064 -5.738 1.00 24.18 C ATOM 693 N TYR A 91 52.372 28.577 -3.980 1.00 20.67 N ATOM 694 CA TYR A 91 52.363 28.240 -2.544 1.00 21.34 C ATOM 695 C TYR A 91 52.905 29.489 -1.855 1.00 22.65 C ATOM 696 O TYR A 91 53.883 30.095 -2.314 1.00 25.03 O ATOM 697 CB TYR A 91 53.195 27.006 -2.260 1.00 22.31 C ATOM 698 CG TYR A 91 52.825 25.805 -3.115 1.00 22.70 C ATOM 699 CD1 TYR A 91 51.721 25.031 -2.825 1.00 21.71 C ATOM 700 CD2 TYR A 91 53.585 25.472 -4.229 1.00 30.17 C ATOM 701 CE1 TYR A 91 51.363 23.937 -3.598 1.00 27.40 C ATOM 702 CE2 TYR A 91 53.240 24.374 -5.018 1.00 25.73 C ATOM 703 CZ TYR A 91 52.135 23.624 -4.698 1.00 33.66 C ATOM 704 OH TYR A 91 51.801 22.528 -5.480 1.00 33.03 O ATOM 705 N ILE A 92 52.248 29.921 -0.792 1.00 21.19 N ATOM 706 CA ILE A 92 52.662 31.162 -0.139 1.00 20.90 C ATOM 707 C ILE A 92 53.221 30.818 1.260 1.00 24.87 C ATOM 708 O ILE A 92 52.516 30.041 1.924 1.00 25.03 O ATOM 709 CB ILE A 92 51.489 32.116 -0.014 1.00 21.41 C ATOM 710 CG1 ILE A 92 50.890 32.560 -1.368 1.00 28.67 C ATOM 711 CG2 ILE A 92 51.878 33.345 0.797 1.00 24.86 C ATOM 712 CD1 ILE A 92 51.844 33.358 -2.213 1.00 37.60 C ATOM 713 N TYR A 93 54.361 31.359 1.636 1.00 24.97 N ATOM 714 CA TYR A 93 54.987 31.045 2.922 1.00 22.73 C ATOM 715 C TYR A 93 55.040 32.293 3.821 1.00 30.51 C ATOM 716 O TYR A 93 55.390 33.351 3.325 1.00 26.41 O ATOM 717 CB TYR A 93 56.401 30.532 2.740 1.00 20.19 C ATOM 718 CG TYR A 93 56.463 29.194 2.041 1.00 27.46 C ATOM 719 CD1 TYR A 93 56.371 29.146 0.639 1.00 29.05 C ATOM 720 CD2 TYR A 93 56.579 28.011 2.727 1.00 22.54 C ATOM 721 CE1 TYR A 93 56.414 27.923 -0.018 1.00 25.01 C ATOM 722 CE2 TYR A 93 56.635 26.778 2.095 1.00 25.41 C ATOM 723 CZ TYR A 93 56.547 26.760 0.705 1.00 29.55 C ATOM 724 OH TYR A 93 56.605 25.550 0.062 1.00 27.42 O ATOM 725 N ALA A 94 54.647 32.178 5.086 1.00 24.55 N ATOM 726 CA ALA A 94 54.714 33.294 6.056 1.00 24.55 C ATOM 727 C ALA A 94 55.768 32.873 7.076 1.00 26.15 C ATOM 728 O ALA A 94 55.552 31.849 7.726 1.00 27.92 O ATOM 729 CB ALA A 94 53.377 33.584 6.685 1.00 27.84 C ATOM 730 N ASP A 95 56.895 33.563 7.160 1.00 26.79 N ATOM 731 CA ASP A 95 58.011 33.111 7.998 1.00 38.00 C ATOM 732 C ASP A 95 58.351 31.644 7.869 1.00 37.09 C ATOM 733 O ASP A 95 58.527 30.927 8.853 1.00 31.77 O ATOM 734 CB ASP A 95 57.703 33.447 9.476 1.00 34.40 C ATOM 735 CG ASP A 95 57.674 34.975 9.605 1.00 32.58 C ATOM 736 OD1 ASP A 95 58.471 35.657 8.922 1.00 34.11 O ATOM 737 OD2 ASP A 95 56.825 35.449 10.379 1.00 36.67 O ATOM 738 N GLY A 96 58.500 31.110 6.649 1.00 32.06 N ATOM 739 CA GLY A 96 58.860 29.708 6.538 1.00 28.61 C ATOM 740 C GLY A 96 57.699 28.747 6.606 1.00 26.73 C ATOM 741 O GLY A 96 57.870 27.557 6.302 1.00 32.93 O ATOM 742 N LYS A 97 56.488 29.128 6.968 1.00 26.64 N ATOM 743 CA LYS A 97 55.368 28.228 7.149 1.00 24.79 C ATOM 744 C LYS A 97 54.401 28.352 5.956 1.00 27.39 C ATOM 745 O LYS A 97 53.962 29.469 5.678 1.00 24.90 O ATOM 746 CB LYS A 97 54.509 28.526 8.391 1.00 28.05 C ATOM 747 CG LYS A 97 55.229 28.179 9.688 1.00 64.44 C ATOM 748 CD LYS A 97 54.760 29.052 10.837 1.00 93.73 C ATOM 749 CE LYS A 97 55.852 29.989 11.323 1.00119.04 C ATOM 750 NZ LYS A 97 56.881 29.286 12.136 1.00152.31 N ATOM 751 N MET A 98 54.075 27.231 5.316 1.00 28.63 N ATOM 752 CA MET A 98 53.210 27.371 4.126 1.00 23.07 C ATOM 753 C MET A 98 51.787 27.694 4.540 1.00 21.66 C ATOM 754 O MET A 98 51.120 26.961 5.296 1.00 22.36 O ATOM 755 CB MET A 98 53.293 26.078 3.285 1.00 24.61 C ATOM 756 CG MET A 98 52.840 26.346 1.826 1.00 26.22 C ATOM 757 SD MET A 98 52.212 24.809 1.096 1.00 29.24 S ATOM 758 CE MET A 98 53.704 23.829 1.167 1.00 31.91 C ATOM 759 N VAL A 99 51.224 28.797 4.026 1.00 19.91 N ATOM 760 CA VAL A 99 49.854 29.163 4.376 1.00 19.97 C ATOM 761 C VAL A 99 48.863 28.150 3.873 1.00 21.26 C ATOM 762 O VAL A 99 47.845 27.827 4.463 1.00 22.29 O ATOM 763 CB VAL A 99 49.516 30.565 3.785 1.00 29.37 C ATOM 764 CG1 VAL A 99 48.090 30.974 4.133 1.00 26.35 C ATOM 765 CG2 VAL A 99 50.545 31.571 4.287 1.00 30.18 C ATOM 766 N ASN A 100 49.187 27.614 2.674 1.00 21.37 N ATOM 767 CA ASN A 100 48.220 26.654 2.130 1.00 22.09 C ATOM 768 C ASN A 100 48.040 25.436 3.029 1.00 20.94 C ATOM 769 O ASN A 100 46.912 24.944 3.217 1.00 26.01 O ATOM 770 CB ASN A 100 48.707 26.113 0.775 1.00 21.32 C ATOM 771 CG ASN A 100 49.218 27.200 -0.147 1.00 32.81 C ATOM 772 OD1 ASN A 100 50.015 28.070 0.224 1.00 24.45 O ATOM 773 ND2 ASN A 100 48.750 27.165 -1.405 1.00 25.38 N ATOM 774 N GLU A 101 49.189 24.973 3.524 1.00 23.77 N ATOM 775 CA GLU A 101 49.164 23.788 4.409 1.00 26.22 C ATOM 776 C GLU A 101 48.500 24.156 5.738 1.00 25.80 C ATOM 777 O GLU A 101 47.740 23.321 6.263 1.00 27.13 O ATOM 778 CB GLU A 101 50.569 23.219 4.653 1.00 26.94 C ATOM 779 CG GLU A 101 50.576 21.824 5.304 1.00 25.85 C ATOM 780 CD GLU A 101 50.548 21.847 6.820 1.00 75.14 C ATOM 781 OE1 GLU A 101 50.882 22.905 7.411 1.00 33.92 O ATOM 782 OE2 GLU A 101 50.149 20.885 7.503 1.00 39.31 O ATOM 783 N ALA A 102 48.825 25.337 6.278 1.00 28.56 N ATOM 784 CA ALA A 102 48.265 25.695 7.606 1.00 24.78 C ATOM 785 C ALA A 102 46.766 25.679 7.550 1.00 26.32 C ATOM 786 O ALA A 102 46.075 25.157 8.451 1.00 29.60 O ATOM 787 CB ALA A 102 48.846 27.012 8.106 1.00 27.45 C ATOM 788 N LEU A 103 46.165 26.213 6.470 1.00 28.16 N ATOM 789 CA LEU A 103 44.699 26.202 6.369 1.00 22.14 C ATOM 790 C LEU A 103 44.095 24.811 6.405 1.00 22.83 C ATOM 791 O LEU A 103 43.068 24.563 7.037 1.00 28.03 O ATOM 792 CB ALEU A 103 44.231 26.887 5.071 0.88 24.49 C ATOM 793 CB BLEU A 103 44.251 26.869 5.061 0.12 23.89 C ATOM 794 CG ALEU A 103 44.369 28.407 4.996 0.88 23.73 C ATOM 795 CG BLEU A 103 44.121 28.392 5.082 0.12 27.93 C ATOM 796 CD1ALEU A 103 44.375 28.880 3.528 0.88 22.39 C ATOM 797 CD1BLEU A 103 42.839 28.827 5.774 0.12 19.98 C ATOM 798 CD2ALEU A 103 43.245 29.118 5.739 0.88 25.24 C ATOM 799 CD2BLEU A 103 45.342 29.003 5.749 0.12 8.81 C ATOM 800 N VAL A 104 44.718 23.910 5.636 1.00 23.92 N ATOM 801 CA VAL A 104 44.198 22.558 5.512 1.00 21.73 C ATOM 802 C VAL A 104 44.390 21.823 6.842 1.00 26.03 C ATOM 803 O VAL A 104 43.541 21.068 7.292 1.00 25.52 O ATOM 804 CB VAL A 104 44.959 21.846 4.387 1.00 26.87 C ATOM 805 CG1 VAL A 104 44.728 20.341 4.411 1.00 33.75 C ATOM 806 CG2 VAL A 104 44.519 22.413 3.039 1.00 28.80 C ATOM 807 N ARG A 105 45.542 22.066 7.469 1.00 26.78 N ATOM 808 CA ARG A 105 45.814 21.423 8.776 1.00 27.66 C ATOM 809 C ARG A 105 44.788 21.829 9.830 1.00 29.05 C ATOM 810 O ARG A 105 44.489 20.987 10.704 1.00 32.28 O ATOM 811 CB ARG A 105 47.226 21.739 9.275 1.00 28.67 C ATOM 812 CG ARG A 105 47.655 21.046 10.579 1.00 25.86 C ATOM 813 CD ARG A 105 47.477 19.544 10.485 1.00 34.66 C ATOM 814 NE ARG A 105 47.800 18.820 11.741 1.00 37.82 N ATOM 815 CZ ARG A 105 46.885 18.508 12.648 1.00 36.64 C ATOM 816 NH1 ARG A 105 45.603 18.835 12.485 1.00 30.99 N ATOM 817 NH2 ARG A 105 47.234 17.853 13.755 1.00 33.93 N ATOM 818 N GLN A 106 44.237 23.023 9.775 1.00 24.32 N ATOM 819 CA GLN A 106 43.253 23.570 10.703 1.00 24.49 C ATOM 820 C GLN A 106 41.795 23.261 10.369 1.00 29.82 C ATOM 821 O GLN A 106 40.896 23.722 11.085 1.00 31.37 O ATOM 822 CB GLN A 106 43.326 25.095 10.800 1.00 31.86 C ATOM 823 CG GLN A 106 44.360 25.733 11.681 1.00 50.74 C ATOM 824 CD GLN A 106 44.438 25.178 13.088 1.00 50.41 C ATOM 825 OE1 GLN A 106 43.456 25.160 13.825 1.00 47.15 O ATOM 826 NE2 GLN A 106 45.635 24.718 13.426 1.00 50.97 N ATOM 827 N GLY A 107 41.561 22.520 9.299 1.00 30.17 N ATOM 828 CA GLY A 107 40.213 22.216 8.846 1.00 25.19 C ATOM 829 C GLY A 107 39.549 23.469 8.308 1.00 25.84 C ATOM 830 O GLY A 107 38.333 23.614 8.423 1.00 33.32 O ATOM 831 N LEU A 108 40.357 24.378 7.739 1.00 26.64 N ATOM 832 CA LEU A 108 39.749 25.598 7.219 1.00 25.59 C ATOM 833 C LEU A 108 39.820 25.633 5.686 1.00 29.56 C ATOM 834 O LEU A 108 39.464 26.638 5.097 1.00 30.60 O ATOM 835 CB LEU A 108 40.411 26.847 7.788 1.00 29.37 C ATOM 836 CG LEU A 108 40.037 27.157 9.245 1.00 30.69 C ATOM 837 CD1 LEU A 108 40.940 28.279 9.753 1.00 34.61 C ATOM 838 CD2 LEU A 108 38.585 27.545 9.405 1.00 31.54 C ATOM 839 N ALA A 109 40.264 24.536 5.100 1.00 29.79 N ATOM 840 CA ALA A 109 40.280 24.429 3.637 1.00 31.57 C ATOM 841 C ALA A 109 40.281 22.951 3.291 1.00 40.73 C ATOM 842 O ALA A 109 40.756 22.165 4.114 1.00 30.18 O ATOM 843 CB ALA A 109 41.495 25.107 3.038 1.00 23.87 C ATOM 844 N LYS A 110 39.780 22.607 2.131 1.00 27.73 N ATOM 845 CA LYS A 110 39.903 21.286 1.534 1.00 27.78 C ATOM 846 C LYS A 110 40.958 21.278 0.434 1.00 28.58 C ATOM 847 O LYS A 110 41.217 22.342 -0.133 1.00 34.91 O ATOM 848 CB LYS A 110 38.565 20.845 0.925 1.00 32.81 C ATOM 849 CG LYS A 110 37.449 20.703 1.936 1.00 52.42 C ATOM 850 CD LYS A 110 36.422 19.658 1.527 1.00 77.52 C ATOM 851 CE LYS A 110 35.250 19.654 2.507 1.00 65.59 C ATOM 852 NZ LYS A 110 33.934 19.562 1.817 1.00115.62 N ATOM 853 N VAL A 111 41.531 20.121 0.148 1.00 30.82 N ATOM 854 CA VAL A 111 42.516 20.011 -0.930 1.00 28.57 C ATOM 855 C VAL A 111 41.676 20.110 -2.212 1.00 33.23 C ATOM 856 O VAL A 111 40.669 19.420 -2.229 1.00 29.62 O ATOM 857 CB VAL A 111 43.326 18.726 -0.882 1.00 34.24 C ATOM 858 CG1 VAL A 111 44.219 18.574 -2.104 1.00 35.30 C ATOM 859 CG2 VAL A 111 44.209 18.732 0.366 1.00 32.00 C ATOM 860 N ALA A 112 42.047 20.948 -3.149 1.00 35.19 N ATOM 861 CA ALA A 112 41.259 21.264 -4.340 1.00 42.07 C ATOM 862 C ALA A 112 41.273 20.122 -5.329 1.00 44.33 C ATOM 863 O ALA A 112 42.029 19.167 -5.115 1.00 37.50 O ATOM 864 CB ALA A 112 41.886 22.470 -5.028 1.00 33.46 C ATOM 865 N TYR A 113 40.512 20.219 -6.420 1.00 43.62 N ATOM 866 CA TYR A 113 40.712 19.205 -7.476 1.00 45.81 C ATOM 867 C TYR A 113 42.068 19.426 -8.108 1.00 57.00 C ATOM 868 O TYR A 113 42.485 20.557 -8.390 1.00 49.14 O ATOM 869 CB ATYR A 113 39.571 19.273 -8.488 0.53 50.44 C ATOM 870 CB BTYR A 113 39.567 19.291 -8.485 0.47 50.39 C ATOM 871 CG ATYR A 113 38.221 19.214 -7.804 0.53 59.38 C ATOM 872 CG BTYR A 113 39.539 18.116 -9.438 0.47 66.16 C ATOM 873 CD1ATYR A 113 37.123 19.866 -8.340 0.53 92.92 C ATOM 874 CD1BTYR A 113 40.171 18.197 -10.671 0.47 77.34 C ATOM 875 CD2ATYR A 113 38.065 18.501 -6.621 0.53 62.18 C ATOM 876 CD2BTYR A 113 38.888 16.938 -9.096 0.47 64.58 C ATOM 877 CE1ATYR A 113 35.894 19.809 -7.711 0.53 82.53 C ATOM 878 CE1BTYR A 113 40.154 17.130 -11.549 0.47 49.14 C ATOM 879 CE2ATYR A 113 36.842 18.438 -5.985 0.53 72.73 C ATOM 880 CE2BTYR A 113 38.868 15.866 -9.968 0.47 56.64 C ATOM 881 CZ ATYR A 113 35.765 19.095 -6.539 0.53 68.04 C ATOM 882 CZ BTYR A 113 39.502 15.970 -11.190 0.47 33.46 C ATOM 883 OH ATYR A 113 34.540 19.041 -5.916 0.53 56.53 O ATOM 884 OH BTYR A 113 39.483 14.902 -12.059 0.47 84.51 O ATOM 885 N VAL A 114 42.882 18.398 -8.348 1.00 44.82 N ATOM 886 CA VAL A 114 44.251 18.731 -8.754 1.00 44.99 C ATOM 887 C VAL A 114 44.494 18.680 -10.254 1.00 79.38 C ATOM 888 O VAL A 114 43.945 17.842 -10.968 1.00 60.66 O ATOM 889 CB VAL A 114 45.229 17.776 -8.039 1.00 43.09 C ATOM 890 CG1 VAL A 114 46.621 17.909 -8.628 1.00 39.22 C ATOM 891 CG2 VAL A 114 45.206 18.072 -6.551 1.00 57.97 C ATOM 892 N TYR A 115 45.332 19.594 -10.743 1.00 66.33 N ATOM 893 CA TYR A 115 45.697 19.633 -12.160 1.00 56.27 C ATOM 894 C TYR A 115 47.208 19.524 -12.323 1.00 53.20 C ATOM 895 O TYR A 115 48.010 20.419 -12.038 1.00 56.91 O ATOM 896 CB TYR A 115 45.141 20.897 -12.818 1.00 47.30 C ATOM 897 CG TYR A 115 43.641 21.081 -12.734 1.00 56.98 C ATOM 898 CD1 TYR A 115 42.757 20.349 -13.517 1.00 85.24 C ATOM 899 CD2 TYR A 115 43.077 22.003 -11.861 1.00 80.88 C ATOM 900 CE1 TYR A 115 41.387 20.528 -13.430 1.00100.84 C ATOM 901 CE2 TYR A 115 41.712 22.191 -11.764 1.00 79.60 C ATOM 902 CZ TYR A 115 40.858 21.450 -12.552 1.00 84.54 C ATOM 903 OH TYR A 115 39.495 21.639 -12.456 1.00 60.71 O ATOM 904 N LYS A 116 47.651 18.359 -12.803 1.00 61.60 N ATOM 905 CA LYS A 116 49.072 18.161 -13.095 1.00 63.15 C ATOM 906 C LYS A 116 49.488 19.070 -14.251 1.00 48.51 C ATOM 907 O LYS A 116 48.667 19.363 -15.123 1.00 43.69 O ATOM 908 CB LYS A 116 49.335 16.686 -13.387 1.00 58.26 C ATOM 909 CG LYS A 116 50.341 16.019 -12.458 1.00 59.45 C ATOM 910 CD LYS A 116 49.792 14.705 -11.926 1.00109.86 C ATOM 911 CE LYS A 116 50.894 13.686 -11.683 1.00134.41 C ATOM 912 NZ LYS A 116 50.613 12.831 -10.495 1.00135.97 N ATOM 913 N PRO A 117 50.725 19.549 -14.270 1.00 33.30 N ATOM 914 CA PRO A 117 51.709 19.214 -13.259 1.00 40.53 C ATOM 915 C PRO A 117 51.759 20.220 -12.111 1.00 29.75 C ATOM 916 O PRO A 117 52.841 20.282 -11.531 1.00 36.65 O ATOM 917 CB PRO A 117 53.033 19.332 -14.026 1.00 46.50 C ATOM 918 CG PRO A 117 52.779 20.432 -14.998 1.00 37.65 C ATOM 919 CD PRO A 117 51.302 20.464 -15.269 1.00 41.28 C ATOM 920 N ASN A 118 50.673 20.954 -11.844 1.00 35.62 N ATOM 921 CA ASN A 118 50.779 21.851 -10.673 1.00 41.24 C ATOM 922 C ASN A 118 50.328 21.060 -9.449 1.00 35.40 C ATOM 923 O ASN A 118 49.231 21.232 -8.910 1.00 31.50 O ATOM 924 CB ASN A 118 49.967 23.125 -10.863 1.00 27.17 C ATOM 925 CG ASN A 118 50.741 24.211 -11.573 1.00 19.92 C ATOM 926 OD1 ASN A 118 51.938 24.195 -11.785 1.00 34.35 O ATOM 927 ND2 ASN A 118 49.999 25.237 -11.988 1.00 33.24 N ATOM 928 N ASN A 119 51.198 20.131 -9.028 1.00 26.80 N ATOM 929 CA ASN A 119 50.731 19.321 -7.897 1.00 29.05 C ATOM 930 C ASN A 119 51.911 18.833 -7.079 1.00 23.44 C ATOM 931 O ASN A 119 51.829 17.765 -6.472 1.00 36.14 O ATOM 932 CB ASN A 119 49.896 18.151 -8.401 1.00 43.37 C ATOM 933 CG ASN A 119 50.752 17.097 -9.076 1.00 45.92 C ATOM 934 OD1 ASN A 119 51.861 17.388 -9.534 1.00 43.34 O ATOM 935 ND2 ASN A 119 50.228 15.882 -9.122 1.00 70.60 N ATOM 936 N THR A 120 52.985 19.595 -7.056 1.00 28.33 N ATOM 937 CA THR A 120 54.151 19.148 -6.262 1.00 33.14 C ATOM 938 C THR A 120 53.824 18.929 -4.805 1.00 48.92 C ATOM 939 O THR A 120 54.246 17.906 -4.252 1.00 38.89 O ATOM 940 CB THR A 120 55.264 20.180 -6.495 1.00 34.84 C ATOM 941 OG1 THR A 120 55.561 20.047 -7.904 1.00 34.88 O ATOM 942 CG2 THR A 120 56.577 19.949 -5.784 1.00 36.31 C ATOM 943 N HIS A 121 53.096 19.791 -4.093 1.00 43.69 N ATOM 944 CA HIS A 121 52.860 19.490 -2.675 1.00 34.31 C ATOM 945 C HIS A 121 51.555 18.780 -2.436 1.00 31.80 C ATOM 946 O HIS A 121 50.964 18.850 -1.344 1.00 31.26 O ATOM 947 CB HIS A 121 52.863 20.797 -1.835 1.00 29.99 C ATOM 948 CG HIS A 121 54.155 21.526 -1.969 1.00 26.76 C ATOM 949 ND1 HIS A 121 55.360 20.904 -1.706 1.00 34.28 N ATOM 950 CD2 HIS A 121 54.473 22.788 -2.312 1.00 30.24 C ATOM 951 CE1 HIS A 121 56.351 21.756 -1.898 1.00 34.05 C ATOM 952 NE2 HIS A 121 55.838 22.923 -2.263 1.00 33.19 N ATOM 953 N GLU A 122 51.005 18.067 -3.427 1.00 26.98 N ATOM 954 CA GLU A 122 49.703 17.454 -3.225 1.00 27.18 C ATOM 955 C GLU A 122 49.642 16.420 -2.097 1.00 45.96 C ATOM 956 O GLU A 122 48.738 16.396 -1.251 1.00 32.51 O ATOM 957 CB GLU A 122 49.272 16.693 -4.499 1.00 27.37 C ATOM 958 CG GLU A 122 47.850 16.163 -4.309 1.00 34.29 C ATOM 959 CD GLU A 122 47.437 15.327 -5.515 1.00 56.45 C ATOM 960 OE1 GLU A 122 48.319 15.088 -6.367 1.00 43.38 O ATOM 961 OE2 GLU A 122 46.271 14.921 -5.633 1.00 40.71 O ATOM 962 N GLN A 123 50.599 15.493 -2.068 1.00 36.12 N ATOM 963 CA GLN A 123 50.531 14.417 -1.062 1.00 52.93 C ATOM 964 C GLN A 123 50.707 14.944 0.362 1.00 28.41 C ATOM 965 O GLN A 123 50.058 14.534 1.328 1.00 37.51 O ATOM 966 CB GLN A 123 51.584 13.354 -1.398 1.00 47.37 C ATOM 967 CG GLN A 123 51.006 11.988 -1.723 1.00 97.86 C ATOM 968 CD GLN A 123 50.676 11.160 -0.495 1.00128.21 C ATOM 969 OE1 GLN A 123 50.068 11.641 0.466 1.00 75.22 O ATOM 970 NE2 GLN A 123 51.076 9.889 -0.520 1.00 81.83 N ATOM 971 N HIS A 124 51.591 15.922 0.520 1.00 32.70 N ATOM 972 CA HIS A 124 51.756 16.588 1.807 1.00 34.91 C ATOM 973 C HIS A 124 50.486 17.261 2.306 1.00 41.90 C ATOM 974 O HIS A 124 50.100 17.132 3.475 1.00 31.70 O ATOM 975 CB HIS A 124 52.883 17.617 1.702 1.00 38.82 C ATOM 976 CG HIS A 124 53.137 18.275 3.030 1.00 54.38 C ATOM 977 ND1 HIS A 124 52.749 17.694 4.220 1.00 94.20 N ATOM 978 CD2 HIS A 124 53.722 19.443 3.361 1.00 74.39 C ATOM 979 CE1 HIS A 124 53.086 18.473 5.229 1.00 67.94 C ATOM 980 NE2 HIS A 124 53.683 19.546 4.729 1.00 63.21 N ATOM 981 N LEU A 125 49.798 18.012 1.443 1.00 30.52 N ATOM 982 CA LEU A 125 48.535 18.615 1.820 1.00 31.47 C ATOM 983 C LEU A 125 47.488 17.578 2.154 1.00 31.51 C ATOM 984 O LEU A 125 46.638 17.638 3.038 1.00 29.23 O ATOM 985 CB LEU A 125 48.033 19.491 0.648 1.00 31.40 C ATOM 986 CG LEU A 125 48.853 20.764 0.414 1.00 40.28 C ATOM 987 CD1 LEU A 125 48.186 21.615 -0.661 1.00 48.95 C ATOM 988 CD2 LEU A 125 48.973 21.546 1.699 1.00 40.93 C ATOM 989 N ARG A 126 47.468 16.506 1.348 1.00 34.16 N ATOM 990 CA ARG A 126 46.442 15.500 1.618 1.00 32.60 C ATOM 991 C ARG A 126 46.683 14.798 2.964 1.00 25.49 C ATOM 992 O ARG A 126 45.725 14.372 3.605 1.00 34.27 O ATOM 993 CB ARG A 126 46.429 14.441 0.495 1.00 34.85 C ATOM 994 CG ARG A 126 45.592 14.927 -0.685 1.00 39.91 C ATOM 995 CD ARG A 126 45.224 13.775 -1.608 1.00 47.51 C ATOM 996 NE ARG A 126 45.058 14.274 -2.978 1.00 43.80 N ATOM 997 CZ ARG A 126 43.908 14.793 -3.396 1.00 48.01 C ATOM 998 NH1 ARG A 126 42.870 14.875 -2.570 1.00 48.05 N ATOM 999 NH2 ARG A 126 43.830 15.223 -4.648 1.00 54.17 N ATOM 1000 N LYS A 127 47.944 14.710 3.350 1.00 27.77 N ATOM 1001 CA LYS A 127 48.222 14.143 4.689 1.00 47.39 C ATOM 1002 C LYS A 127 47.730 15.077 5.784 1.00 46.51 C ATOM 1003 O LYS A 127 47.137 14.607 6.756 1.00 34.64 O ATOM 1004 CB LYS A 127 49.705 13.820 4.869 1.00 32.39 C ATOM 1005 CG LYS A 127 50.073 12.503 4.154 1.00 40.59 C ATOM 1006 CD LYS A 127 51.539 12.611 3.760 1.00 52.61 C ATOM 1007 CE LYS A 127 52.122 11.301 3.271 1.00 47.61 C ATOM 1008 NZ LYS A 127 53.596 11.268 3.502 1.00 55.86 N ATOM 1009 N SER A 128 47.935 16.394 5.616 1.00 30.69 N ATOM 1010 CA SER A 128 47.384 17.289 6.649 1.00 23.26 C ATOM 1011 C SER A 128 45.882 17.270 6.654 1.00 29.41 C ATOM 1012 O SER A 128 45.206 17.372 7.680 1.00 32.13 O ATOM 1013 CB SER A 128 47.892 18.715 6.427 1.00 27.29 C ATOM 1014 OG SER A 128 49.310 18.736 6.424 1.00 34.12 O ATOM 1015 N GLU A 129 45.283 17.146 5.461 1.00 28.47 N ATOM 1016 CA GLU A 129 43.829 17.124 5.433 1.00 21.65 C ATOM 1017 C GLU A 129 43.284 15.891 6.164 1.00 27.61 C ATOM 1018 O GLU A 129 42.252 15.929 6.832 1.00 29.74 O ATOM 1019 CB GLU A 129 43.302 17.079 3.987 1.00 28.07 C ATOM 1020 CG GLU A 129 41.813 17.288 3.856 1.00 30.55 C ATOM 1021 CD GLU A 129 41.347 17.055 2.422 1.00 40.37 C ATOM 1022 OE1 GLU A 129 41.594 15.977 1.861 1.00 44.77 O ATOM 1023 OE2 GLU A 129 40.739 17.977 1.860 1.00 39.25 O ATOM 1024 N ALA A 130 43.973 14.777 5.954 1.00 29.33 N ATOM 1025 CA ALA A 130 43.499 13.568 6.653 1.00 54.20 C ATOM 1026 C ALA A 130 43.594 13.709 8.174 1.00 34.42 C ATOM 1027 O ALA A 130 42.751 13.198 8.902 1.00 40.02 O ATOM 1028 CB ALA A 130 44.292 12.354 6.209 1.00 31.43 C ATOM 1029 N GLN A 131 44.621 14.406 8.654 1.00 35.86 N ATOM 1030 CA GLN A 131 44.739 14.635 10.111 1.00 30.04 C ATOM 1031 C GLN A 131 43.668 15.575 10.593 1.00 31.96 C ATOM 1032 O GLN A 131 43.019 15.380 11.619 1.00 33.65 O ATOM 1033 CB GLN A 131 46.135 15.175 10.420 1.00 34.97 C ATOM 1034 CG GLN A 131 46.379 15.267 11.928 1.00 73.09 C ATOM 1035 CD GLN A 131 46.403 13.892 12.569 1.00 88.10 C ATOM 1036 OE1 GLN A 131 46.787 12.924 11.911 1.00 50.93 O ATOM 1037 NE2 GLN A 131 46.009 13.762 13.831 1.00 51.97 N ATOM 1038 N ALA A 132 43.402 16.661 9.842 1.00 25.66 N ATOM 1039 CA ALA A 132 42.343 17.560 10.301 1.00 27.07 C ATOM 1040 C ALA A 132 40.989 16.866 10.268 1.00 37.87 C ATOM 1041 O ALA A 132 40.053 17.110 11.039 1.00 34.65 O ATOM 1042 CB ALA A 132 42.383 18.844 9.489 1.00 27.62 C ATOM 1043 N LYS A 133 40.803 15.917 9.340 1.00 37.06 N ATOM 1044 CA LYS A 133 39.513 15.234 9.327 1.00 32.08 C ATOM 1045 C LYS A 133 39.409 14.320 10.553 1.00 29.50 C ATOM 1046 O LYS A 133 38.398 14.246 11.229 1.00 42.74 O ATOM 1047 CB LYS A 133 39.352 14.383 8.057 1.00 43.66 C ATOM 1048 CG LYS A 133 39.426 15.139 6.745 1.00 90.96 C ATOM 1049 CD LYS A 133 38.789 14.374 5.594 1.00 55.17 C ATOM 1050 CE LYS A 133 39.766 13.380 4.983 1.00 96.30 C ATOM 1051 NZ LYS A 133 39.136 12.050 4.750 1.00156.05 N ATOM 1052 N LYS A 134 40.507 13.613 10.785 1.00 34.88 N ATOM 1053 CA LYS A 134 40.498 12.664 11.913 1.00 48.19 C ATOM 1054 C LYS A 134 40.378 13.433 13.211 1.00 48.08 C ATOM 1055 O LYS A 134 39.829 12.980 14.214 1.00 53.09 O ATOM 1056 CB LYS A 134 41.744 11.789 11.829 1.00 44.98 C ATOM 1057 CG LYS A 134 42.503 11.609 13.122 1.00 63.02 C ATOM 1058 CD LYS A 134 42.952 10.174 13.315 1.00 64.06 C ATOM 1059 CE LYS A 134 43.205 9.878 14.787 1.00126.43 C ATOM 1060 NZ LYS A 134 43.565 11.103 15.556 1.00 93.44 N ATOM 1061 N GLU A 135 40.872 14.673 13.241 1.00 51.24 N ATOM 1062 CA GLU A 135 40.705 15.480 14.443 1.00 40.35 C ATOM 1063 C GLU A 135 39.365 16.210 14.433 1.00 55.27 C ATOM 1064 O GLU A 135 39.094 16.932 15.396 1.00 39.89 O ATOM 1065 CB GLU A 135 41.860 16.486 14.616 1.00 31.57 C ATOM 1066 CG GLU A 135 43.181 15.775 14.856 1.00 29.92 C ATOM 1067 CD GLU A 135 44.390 16.663 14.940 1.00 28.23 C ATOM 1068 OE1 GLU A 135 44.264 17.905 14.977 1.00 33.00 O ATOM 1069 OE2 GLU A 135 45.517 16.112 14.982 1.00 39.64 O ATOM 1070 N LYS A 136 38.563 16.043 13.394 1.00 34.49 N ATOM 1071 CA LYS A 136 37.264 16.707 13.227 1.00 32.81 C ATOM 1072 C LYS A 136 37.298 18.192 13.484 1.00 40.08 C ATOM 1073 O LYS A 136 36.491 18.761 14.220 1.00 37.24 O ATOM 1074 CB LYS A 136 36.221 16.047 14.143 1.00 47.32 C ATOM 1075 CG LYS A 136 35.747 14.694 13.635 1.00 51.74 C ATOM 1076 CD LYS A 136 34.948 13.959 14.700 1.00101.28 C ATOM 1077 CE LYS A 136 35.857 13.117 15.584 1.00 89.38 C ATOM 1078 NZ LYS A 136 35.130 12.607 16.780 1.00 86.70 N ATOM 1079 N LEU A 137 38.247 18.883 12.849 1.00 36.25 N ATOM 1080 CA LEU A 137 38.401 20.309 13.049 1.00 29.90 C ATOM 1081 C LEU A 137 37.562 21.138 12.069 1.00 34.89 C ATOM 1082 O LEU A 137 37.587 20.834 10.874 1.00 39.04 O ATOM 1083 CB LEU A 137 39.875 20.716 12.858 1.00 30.73 C ATOM 1084 CG LEU A 137 40.933 20.269 13.863 1.00 40.00 C ATOM 1085 CD1 LEU A 137 42.331 20.530 13.323 1.00 32.93 C ATOM 1086 CD2 LEU A 137 40.775 20.998 15.197 1.00 46.20 C ATOM 1087 N ASN A 138 36.891 22.163 12.543 1.00 32.29 N ATOM 1088 CA ASN A 138 36.224 23.203 11.768 1.00 39.11 C ATOM 1089 C ASN A 138 35.320 22.660 10.681 1.00 51.62 C ATOM 1090 O ASN A 138 34.240 22.138 10.963 1.00 46.08 O ATOM 1091 CB ASN A 138 37.326 24.122 11.184 1.00 33.61 C ATOM 1092 CG ASN A 138 37.897 24.927 12.345 1.00 42.17 C ATOM 1093 OD1 ASN A 138 37.139 25.497 13.126 1.00 45.03 O ATOM 1094 ND2 ASN A 138 39.201 24.983 12.493 1.00 30.92 N ATOM 1095 N ILE A 139 35.728 22.739 9.417 1.00 35.97 N ATOM 1096 CA ILE A 139 34.954 22.162 8.323 1.00 47.03 C ATOM 1097 C ILE A 139 34.590 20.714 8.586 1.00 46.25 C ATOM 1098 O ILE A 139 33.554 20.208 8.172 1.00 50.73 O ATOM 1099 CB ILE A 139 35.765 22.233 6.996 1.00 38.53 C ATOM 1100 CG1 ILE A 139 35.650 23.625 6.354 1.00 44.25 C ATOM 1101 CG2 ILE A 139 35.375 21.112 6.075 1.00 64.51 C ATOM 1102 CD1 ILE A 139 34.223 24.118 6.251 1.00135.33 C ATOM 1103 N TRP A 140 35.474 20.011 9.288 1.00 47.51 N ATOM 1104 CA TRP A 140 35.287 18.588 9.499 1.00 40.87 C ATOM 1105 C TRP A 140 34.597 18.257 10.819 1.00 47.22 C ATOM 1106 O TRP A 140 34.608 17.080 11.184 1.00 49.30 O ATOM 1107 CB TRP A 140 36.641 17.872 9.478 1.00 35.43 C ATOM 1108 CG TRP A 140 37.382 18.119 8.202 1.00 50.87 C ATOM 1109 CD1 TRP A 140 38.573 18.770 8.071 1.00 43.12 C ATOM 1110 CD2 TRP A 140 36.996 17.728 6.880 1.00 45.83 C ATOM 1111 NE1 TRP A 140 38.954 18.808 6.752 1.00 35.54 N ATOM 1112 CE2 TRP A 140 38.003 18.175 6.000 1.00 38.51 C ATOM 1113 CE3 TRP A 140 35.894 17.041 6.361 1.00 52.59 C ATOM 1114 CZ2 TRP A 140 37.948 17.961 4.620 1.00 66.74 C ATOM 1115 CZ3 TRP A 140 35.839 16.828 5.000 1.00 41.38 C ATOM 1116 CH2 TRP A 140 36.856 17.284 4.142 1.00 44.64 C ATOM 1117 N SER A 141 34.042 19.265 11.482 1.00 72.42 N ATOM 1118 CA SER A 141 33.465 19.076 12.809 1.00 39.12 C ATOM 1119 C SER A 141 32.027 18.565 12.725 1.00 84.15 C ATOM 1120 O SER A 141 31.188 19.120 12.019 1.00 51.46 O ATOM 1121 CB SER A 141 33.515 20.366 13.625 1.00 51.99 C ATOM 1122 OG SER A 141 32.635 21.359 13.134 1.00 58.65 O TER 1123 SER A 141 HETATM 1124 O HOH A 201 52.480 27.772 -10.384 1.00 30.28 O HETATM 1125 O HOH A 202 57.701 40.096 2.968 1.00 31.10 O HETATM 1126 O HOH A 203 41.190 20.221 6.021 1.00 32.99 O HETATM 1127 O HOH A 204 38.486 31.249 -6.287 1.00 57.77 O HETATM 1128 O HOH A 205 55.059 41.569 3.856 1.00 37.40 O HETATM 1129 O HOH A 206 61.203 34.867 9.101 1.00 43.59 O HETATM 1130 O HOH A 207 37.572 32.816 3.039 1.00 37.08 O HETATM 1131 O HOH A 208 46.965 39.582 -10.665 1.00 40.07 O HETATM 1132 O HOH A 209 59.040 30.310 -7.337 1.00 31.18 O HETATM 1133 O HOH A 210 59.316 27.727 -8.132 1.00 39.02 O HETATM 1134 O HOH A 211 40.978 26.009 14.886 1.00 43.12 O HETATM 1135 O HOH A 212 38.507 28.726 -2.338 1.00 39.16 O HETATM 1136 O HOH A 213 54.875 34.348 11.983 1.00 55.59 O HETATM 1137 O HOH A 214 45.618 42.915 4.779 1.00 59.06 O HETATM 1138 O HOH A 215 38.940 29.409 -8.070 1.00 46.95 O HETATM 1139 O HOH A 216 52.352 15.222 -4.370 1.00 51.39 O HETATM 1140 O HOH A 217 44.449 25.418 -7.326 1.00 60.53 O HETATM 1141 O HOH A 218 44.641 22.584 -7.871 0.50 40.86 O HETATM 1142 O HOH A 219 54.085 31.849 9.956 1.00 49.93 O HETATM 1143 O HOH A 220 40.377 32.374 11.989 1.00 56.20 O HETATM 1144 O HOH A 221 47.802 24.987 10.873 1.00 51.02 O HETATM 1145 O HOH A 222 46.577 22.124 -9.506 1.00 38.53 O HETATM 1146 O HOH A 223 57.422 41.994 6.328 1.00 57.55 O HETATM 1147 O HOH A 224 52.124 25.283 7.474 1.00 46.35 O HETATM 1148 O HOH A 225 46.509 24.764 -11.401 1.00 61.33 O HETATM 1149 O HOH A 226 36.892 37.517 8.550 0.50 39.38 O HETATM 1150 O HOH A 227 39.657 17.180 -0.630 1.00 42.20 O HETATM 1151 O HOH A 228 42.327 29.514 -10.415 1.00 53.04 O HETATM 1152 O HOH A 229 47.349 44.893 4.190 1.00 58.46 O HETATM 1153 O HOH A 230 58.629 32.855 4.452 1.00 32.63 O HETATM 1154 O HOH A 231 52.634 34.883 10.619 1.00 45.46 O HETATM 1155 O HOH A 232 56.094 18.613 -1.042 1.00 53.85 O HETATM 1156 O HOH A 233 31.415 31.165 9.955 0.50 35.23 O HETATM 1157 O HOH A 234 48.502 38.170 -14.486 1.00 48.68 O HETATM 1158 O HOH A 235 55.022 24.768 6.085 1.00 49.91 O HETATM 1159 O HOH A 236 53.564 16.299 -1.796 0.50 34.60 O HETATM 1160 O HOH A 237 31.776 25.597 4.962 1.00 52.24 O HETATM 1161 O HOH A 238 36.682 22.323 15.599 1.00 47.04 O HETATM 1162 O HOH A 239 53.626 40.735 6.359 1.00 45.77 O HETATM 1163 O HOH A 240 42.294 36.880 4.143 1.00 43.50 O HETATM 1164 O HOH A 241 38.456 21.626 -6.598 0.50 39.17 O HETATM 1165 O HOH A 242 50.010 16.796 13.901 0.50 41.04 O HETATM 1166 O HOH A 243 43.825 39.181 -11.339 1.00 51.42 O HETATM 1167 O HOH A 244 59.361 42.229 -2.330 1.00 61.74 O HETATM 1168 O HOH A 245 43.105 46.394 -3.713 1.00 59.64 O HETATM 1169 O HOH A 246 50.132 23.732 10.243 1.00 46.20 O HETATM 1170 O HOH A 247 41.280 16.750 -4.404 0.50 42.14 O HETATM 1171 O HOH A 248 48.107 11.811 7.977 1.00 52.92 O HETATM 1172 O HOH A 249 59.442 40.504 -4.940 1.00 48.84 O HETATM 1173 O HOH A 250 53.996 22.646 5.568 0.50 40.34 O HETATM 1174 O HOH A 251 64.423 28.827 -2.203 0.50 37.48 O HETATM 1175 O HOH A 252 46.947 27.764 -16.543 1.00 63.84 O HETATM 1176 O HOH A 253 41.881 12.541 16.713 1.00 52.17 O HETATM 1177 O HOH A 254 44.549 25.570 -10.163 0.50 38.83 O HETATM 1178 O HOH A 255 54.787 42.442 9.173 1.00 61.78 O HETATM 1179 O HOH A 256 58.742 27.113 -11.062 1.00 50.83 O HETATM 1180 O HOH A 257 34.885 31.079 -11.535 1.00 48.92 O HETATM 1181 O HOH A 258 61.218 29.731 3.852 1.00 53.91 O HETATM 1182 O HOH A 259 50.867 21.765 12.517 0.50 37.10 O HETATM 1183 O HOH A 260 47.709 14.085 -8.649 0.50 54.61 O HETATM 1184 O HOH A 261 42.056 15.634 -8.214 0.50 41.61 O HETATM 1185 O HOH A 262 40.958 11.339 7.789 0.50 42.47 O HETATM 1186 O HOH A 263 42.212 29.221 -14.775 0.50 36.99 O HETATM 1187 O HOH A 264 62.795 36.108 -7.394 0.50 52.34 O HETATM 1188 O HOH A 265 63.262 34.040 -0.432 0.50 39.50 O HETATM 1189 O HOH A 266 43.074 13.593 2.461 0.50 43.76 O HETATM 1190 O HOH A 267 36.454 27.699 -2.284 0.50 41.24 O HETATM 1191 O HOH A 268 39.620 39.657 10.013 0.50 48.45 O HETATM 1192 O HOH A 269 58.404 43.812 -5.467 0.50 40.33 O HETATM 1193 O HOH A 270 46.432 10.833 15.354 1.00 77.18 O HETATM 1194 O HOH A 271 53.422 23.876 9.407 1.00 91.92 O HETATM 1195 O HOH A 272 52.522 14.164 5.870 1.00 91.30 O HETATM 1196 O HOH A 273 60.504 37.563 -7.420 1.00131.26 O HETATM 1197 O HOH A 274 41.163 34.049 15.634 1.00 89.08 O HETATM 1198 O HOH A 275 32.711 21.843 3.290 1.00110.71 O HETATM 1199 O HOH A 276 48.974 48.071 1.453 1.00 75.24 O HETATM 1200 O HOH A 277 59.708 27.314 4.487 1.00 83.23 O HETATM 1201 O HOH A 278 50.347 13.154 10.719 1.00109.55 O HETATM 1202 O HOH A 279 38.779 8.789 7.875 1.00115.06 O HETATM 1203 O HOH A 280 42.930 10.845 18.085 1.00157.91 O HETATM 1204 O HOH A 281 31.671 39.840 0.188 1.00 99.19 O HETATM 1205 O HOH A 282 43.971 32.384 15.859 1.00134.91 O MASTER 266 0 0 4 9 0 0 6 1204 1 0 12 END