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*** 2in0 ***elNémo ID: 2404191856261287344Job options:ID = 2404191856261287344 JOBID = 2in0 USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER 2in0 HEADER HYDROLASE 05-OCT-06 2IN0 TITLE CRYSTAL STRUCTURE OF MTU RECA INTEIN SPLICING DOMAIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: ENDONUCLEASE PI-MTUI; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: SPLCING DOMAIN; COMPND 5 EC: 3.1.-.-; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; SOURCE 3 ORGANISM_TAXID: 1773; SOURCE 4 GENE: RECA; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: JM101; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PX KEYWDS HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR P.VAN ROEY REVDAT 5 30-AUG-23 2IN0 1 REMARK REVDAT 4 20-OCT-21 2IN0 1 SEQADV REVDAT 3 16-AUG-17 2IN0 1 SOURCE REVDAT 2 24-FEB-09 2IN0 1 VERSN REVDAT 1 01-MAY-07 2IN0 0 JRNL AUTH P.VAN ROEY,B.PEREIRA,Z.LI,K.HIRAGA,M.BELFORT,V.DERBYSHIRE JRNL TITL CRYSTALLOGRAPHIC AND MUTATIONAL STUDIES OF MYCOBACTERIUM JRNL TITL 2 TUBERCULOSIS RECA MINI-INTEINS SUGGEST A PIVOTAL ROLE FOR A JRNL TITL 3 HIGHLY CONSERVED ASPARTATE RESIDUE. JRNL REF J.MOL.BIOL. V. 367 162 2007 JRNL REFN ISSN 0022-2836 JRNL PMID 17254599 JRNL DOI 10.1016/J.JMB.2006.12.050 REMARK 2 REMARK 2 RESOLUTION. 1.60 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.10 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 870647.450 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 99.3 REMARK 3 NUMBER OF REFLECTIONS : 15439 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.245 REMARK 3 FREE R VALUE : 0.275 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.100 REMARK 3 FREE R VALUE TEST SET COUNT : 1554 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.007 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.60 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.70 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 97.40 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2236 REMARK 3 BIN R VALUE (WORKING SET) : 0.4630 REMARK 3 BIN FREE R VALUE : 0.4850 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.80 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 243 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.031 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1088 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 112 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 27.10 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 24.50 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -3.54000 REMARK 3 B22 (A**2) : 9.34000 REMARK 3 B33 (A**2) : -5.80000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.28 REMARK 3 ESD FROM SIGMAA (A) : 0.54 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.33 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.60 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 1.300 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 25.00 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.690 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.290 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.990 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 1.930 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.850 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.37 REMARK 3 BSOL : 47.90 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 3 : ION.PARAM REMARK 3 PARAMETER FILE 4 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : ION.TOP REMARK 3 TOPOLOGY FILE 4 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2IN0 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-OCT-06. REMARK 100 THE DEPOSITION ID IS D_1000039768. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 01-JAN-05 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL 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 : OTHER REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : OSMIC MIRRORS REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV REMARK 200 INTENSITY-INTEGRATION SOFTWARE : CRYSTALCLEAR (MSC/RIGAKU) REMARK 200 DATA SCALING SOFTWARE : CRYSTALCLEAR (MSC/RIGAKU) REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 15495 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 REMARK 200 RESOLUTION RANGE LOW (A) : 29.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.1 REMARK 200 DATA REDUNDANCY : 4.100 REMARK 200 R MERGE (I) : 0.08700 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 7.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.65 REMARK 200 COMPLETENESS FOR SHELL (%) : 92.5 REMARK 200 DATA REDUNDANCY IN SHELL : 3.40 REMARK 200 R MERGE FOR SHELL (I) : 0.48900 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.100 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: PDB ENTRY 2IMZ REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 32.82 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.83 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 6-8% PEG8000, 0.1M TRIS.HCL PH 8.5, 5% REMARK 280 PEG400 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z 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 18.42000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 32.31500 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 23.73000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 32.31500 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 18.42000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 23.73000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 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 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 GLU A 427 -55.11 65.51 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2IMZ RELATED DB: PDB REMARK 900 RELATED ID: 2IN8 RELATED DB: PDB REMARK 900 RELATED ID: 2IN9 RELATED DB: PDB DBREF 2IN0 A 1 102 UNP P0A5U4 RECA_MYCTU 252 353 DBREF 2IN0 A 404 440 UNP P0A5U4 RECA_MYCTU 655 691 SEQADV 2IN0 LEU A 67 UNP P0A5U4 VAL 318 ENGINEERED MUTATION SEQADV 2IN0 VAL A 95 UNP P0A5U4 GLN 346 ENGINEERED MUTATION SEQADV 2IN0 ARG A 96 UNP P0A5U4 PRO 347 ENGINEERED MUTATION SEQADV 2IN0 ASP A 97 UNP P0A5U4 ARG 348 ENGINEERED MUTATION SEQADV 2IN0 VAL A 98 UNP P0A5U4 ARG 349 ENGINEERED MUTATION SEQADV 2IN0 GLU A 99 UNP P0A5U4 PHE 350 ENGINEERED MUTATION SEQADV 2IN0 THR A 100 UNP P0A5U4 ASP 351 ENGINEERED MUTATION SEQADV 2IN0 GLU A 102 UNP P0A5U4 PHE 353 ENGINEERED MUTATION SEQRES 1 A 139 CYS LEU ALA GLU GLY THR ARG ILE PHE ASP PRO VAL THR SEQRES 2 A 139 GLY THR THR HIS ARG ILE GLU ASP VAL VAL ASP GLY ARG SEQRES 3 A 139 LYS PRO ILE HIS VAL VAL ALA ALA ALA LYS ASP GLY THR SEQRES 4 A 139 LEU HIS ALA ARG PRO VAL VAL SER TRP PHE ASP GLN GLY SEQRES 5 A 139 THR ARG ASP VAL ILE GLY LEU ARG ILE ALA GLY GLY ALA SEQRES 6 A 139 ILE LEU TRP ALA THR PRO ASP HIS LYS VAL LEU THR GLU SEQRES 7 A 139 TYR GLY TRP ARG ALA ALA GLY GLU LEU ARG LYS GLY ASP SEQRES 8 A 139 ARG VAL ALA VAL ARG ASP VAL GLU THR GLY GLU LEU ARG SEQRES 9 A 139 TYR SER VAL ILE ARG GLU VAL LEU PRO THR ARG ARG ALA SEQRES 10 A 139 ARG THR PHE ASP LEU GLU VAL GLU GLU LEU HIS THR LEU SEQRES 11 A 139 VAL ALA GLU GLY VAL VAL VAL HIS ASN FORMUL 2 HOH *112(H2 O) HELIX 1 1 ILE A 19 GLY A 25 1 7 HELIX 2 2 GLY A 85 LEU A 87 5 3 SHEET 1 A 6 HIS A 30 ALA A 34 0 SHEET 2 A 6 LEU A 40 ILE A 61 -1 O HIS A 41 N ALA A 33 SHEET 3 A 6 ILE A 66 ALA A 69 -1 O ALA A 69 N ILE A 57 SHEET 4 A 6 LEU A 2 ALA A 3 -1 N ALA A 3 O TRP A 68 SHEET 5 A 6 LEU A 404 VAL A 425 -1 O PHE A 421 N LEU A 2 SHEET 6 A 6 ARG A 92 ARG A 96 -1 N VAL A 95 O ARG A 405 SHEET 1 B 4 HIS A 30 ALA A 34 0 SHEET 2 B 4 LEU A 40 ILE A 61 -1 O HIS A 41 N ALA A 33 SHEET 3 B 4 LEU A 404 VAL A 425 -1 O LEU A 413 N GLY A 58 SHEET 4 B 4 ARG A 92 ARG A 96 -1 N VAL A 95 O ARG A 405 SHEET 1 C 2 ARG A 7 PHE A 9 0 SHEET 2 C 2 THR A 16 ARG A 18 -1 O HIS A 17 N ILE A 8 SHEET 1 D 2 LYS A 74 THR A 77 0 SHEET 2 D 2 GLY A 80 ALA A 83 -1 O ARG A 82 N VAL A 75 SHEET 1 E 2 THR A 430 ALA A 433 0 SHEET 2 E 2 VAL A 436 HIS A 439 -1 O VAL A 436 N ALA A 433 CRYST1 36.840 47.460 64.630 90.00 90.00 90.00 P 21 21 21 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 0.027144 0.000000 0.000000 0.00000 SCALE2 0.000000 0.021070 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015473 0.00000 ATOM 1 N CYS A 1 -4.666 -5.284 17.167 1.00 17.01 N ATOM 2 CA CYS A 1 -4.495 -4.307 16.056 1.00 17.88 C ATOM 3 C CYS A 1 -4.561 -2.873 16.586 1.00 17.10 C ATOM 4 O CYS A 1 -5.165 -2.612 17.628 1.00 17.40 O ATOM 5 CB CYS A 1 -5.576 -4.528 14.995 1.00 18.69 C ATOM 6 SG CYS A 1 -5.702 -6.257 14.451 1.00 26.09 S ATOM 7 N LEU A 2 -3.928 -1.955 15.859 1.00 18.42 N ATOM 8 CA LEU A 2 -3.889 -0.545 16.234 1.00 18.76 C ATOM 9 C LEU A 2 -4.775 0.272 15.314 1.00 20.52 C ATOM 10 O LEU A 2 -4.851 0.007 14.113 1.00 20.85 O ATOM 11 CB LEU A 2 -2.456 -0.021 16.156 1.00 19.03 C ATOM 12 CG LEU A 2 -1.469 -0.708 17.096 1.00 19.61 C ATOM 13 CD1 LEU A 2 -0.049 -0.343 16.698 1.00 18.79 C ATOM 14 CD2 LEU A 2 -1.763 -0.317 18.534 1.00 19.19 C ATOM 15 N ALA A 3 -5.424 1.284 15.879 1.00 20.79 N ATOM 16 CA ALA A 3 -6.332 2.136 15.123 1.00 20.97 C ATOM 17 C ALA A 3 -5.679 3.140 14.195 1.00 21.20 C ATOM 18 O ALA A 3 -4.529 3.546 14.376 1.00 17.71 O ATOM 19 CB ALA A 3 -7.259 2.878 16.081 1.00 21.07 C ATOM 20 N GLU A 4 -6.445 3.527 13.183 1.00 19.98 N ATOM 21 CA GLU A 4 -6.011 4.528 12.237 1.00 21.50 C ATOM 22 C GLU A 4 -5.778 5.756 13.121 1.00 19.63 C ATOM 23 O GLU A 4 -6.549 6.011 14.047 1.00 20.25 O ATOM 24 CB GLU A 4 -7.129 4.774 11.216 1.00 22.26 C ATOM 25 CG GLU A 4 -7.043 6.093 10.450 1.00 25.66 C ATOM 26 CD GLU A 4 -8.074 6.177 9.328 1.00 29.48 C ATOM 27 OE1 GLU A 4 -9.195 5.651 9.504 1.00 27.53 O ATOM 28 OE2 GLU A 4 -7.765 6.775 8.274 1.00 33.15 O ATOM 29 N GLY A 5 -4.710 6.497 12.856 1.00 19.51 N ATOM 30 CA GLY A 5 -4.416 7.668 13.663 1.00 19.31 C ATOM 31 C GLY A 5 -3.319 7.413 14.687 1.00 19.65 C ATOM 32 O GLY A 5 -2.702 8.354 15.190 1.00 20.50 O ATOM 33 N THR A 6 -3.067 6.144 15.001 1.00 19.33 N ATOM 34 CA THR A 6 -2.026 5.796 15.965 1.00 18.77 C ATOM 35 C THR A 6 -0.680 6.290 15.429 1.00 19.00 C ATOM 36 O THR A 6 -0.290 5.968 14.305 1.00 19.13 O ATOM 37 CB THR A 6 -1.947 4.259 16.189 1.00 17.48 C ATOM 38 OG1 THR A 6 -3.216 3.769 16.642 1.00 17.20 O ATOM 39 CG2 THR A 6 -0.889 3.926 17.239 1.00 15.82 C ATOM 40 N ARG A 7 0.026 7.076 16.232 1.00 19.12 N ATOM 41 CA ARG A 7 1.315 7.612 15.816 1.00 19.92 C ATOM 42 C ARG A 7 2.495 6.738 16.230 1.00 19.18 C ATOM 43 O ARG A 7 2.569 6.254 17.361 1.00 18.31 O ATOM 44 CB ARG A 7 1.488 9.031 16.357 1.00 22.54 C ATOM 45 CG ARG A 7 0.592 10.046 15.662 1.00 27.77 C ATOM 46 CD ARG A 7 0.855 11.443 16.188 1.00 32.34 C ATOM 47 NE ARG A 7 0.302 11.658 17.525 1.00 35.20 N ATOM 48 CZ ARG A 7 -0.958 12.002 17.767 1.00 35.76 C ATOM 49 NH1 ARG A 7 -1.806 12.170 16.762 1.00 38.98 N ATOM 50 NH2 ARG A 7 -1.371 12.189 19.012 1.00 35.78 N ATOM 51 N ILE A 8 3.424 6.555 15.299 1.00 19.45 N ATOM 52 CA ILE A 8 4.594 5.720 15.522 1.00 20.24 C ATOM 53 C ILE A 8 5.900 6.487 15.291 1.00 20.68 C ATOM 54 O ILE A 8 6.134 7.038 14.217 1.00 17.52 O ATOM 55 CB ILE A 8 4.518 4.492 14.597 1.00 20.89 C ATOM 56 CG1 ILE A 8 3.159 3.816 14.795 1.00 23.90 C ATOM 57 CG2 ILE A 8 5.640 3.513 14.906 1.00 22.39 C ATOM 58 CD1 ILE A 8 2.926 2.599 13.938 1.00 24.72 C ATOM 59 N PHE A 9 6.752 6.505 16.313 1.00 18.79 N ATOM 60 CA PHE A 9 8.025 7.208 16.244 1.00 19.73 C ATOM 61 C PHE A 9 9.149 6.364 15.648 1.00 19.20 C ATOM 62 O PHE A 9 9.397 5.245 16.097 1.00 18.19 O ATOM 63 CB PHE A 9 8.434 7.669 17.647 1.00 20.07 C ATOM 64 CG PHE A 9 9.738 8.413 17.684 1.00 21.73 C ATOM 65 CD1 PHE A 9 9.862 9.656 17.071 1.00 22.42 C ATOM 66 CD2 PHE A 9 10.848 7.861 18.310 1.00 22.09 C ATOM 67 CE1 PHE A 9 11.079 10.340 17.081 1.00 23.73 C ATOM 68 CE2 PHE A 9 12.066 8.533 18.325 1.00 24.03 C ATOM 69 CZ PHE A 9 12.181 9.777 17.707 1.00 23.92 C ATOM 70 N ASP A 10 9.819 6.911 14.635 1.00 19.44 N ATOM 71 CA ASP A 10 10.944 6.249 13.975 1.00 18.50 C ATOM 72 C ASP A 10 12.193 6.875 14.599 1.00 18.88 C ATOM 73 O ASP A 10 12.530 8.030 14.314 1.00 18.16 O ATOM 74 CB ASP A 10 10.918 6.522 12.459 1.00 19.62 C ATOM 75 CG ASP A 10 12.056 5.826 11.718 1.00 19.14 C ATOM 76 OD1 ASP A 10 13.154 5.706 12.293 1.00 18.53 O ATOM 77 OD2 ASP A 10 11.854 5.410 10.556 1.00 18.15 O ATOM 78 N PRO A 11 12.889 6.126 15.470 1.00 17.12 N ATOM 79 CA PRO A 11 14.092 6.638 16.127 1.00 18.18 C ATOM 80 C PRO A 11 15.266 6.908 15.193 1.00 18.06 C ATOM 81 O PRO A 11 16.172 7.661 15.543 1.00 18.97 O ATOM 82 CB PRO A 11 14.407 5.557 17.148 1.00 17.57 C ATOM 83 CG PRO A 11 14.036 4.316 16.404 1.00 19.25 C ATOM 84 CD PRO A 11 12.694 4.700 15.790 1.00 19.07 C ATOM 85 N VAL A 12 15.253 6.299 14.013 1.00 19.87 N ATOM 86 CA VAL A 12 16.339 6.496 13.054 1.00 20.89 C ATOM 87 C VAL A 12 16.209 7.832 12.331 1.00 22.39 C ATOM 88 O VAL A 12 17.166 8.596 12.249 1.00 22.81 O ATOM 89 CB VAL A 12 16.374 5.370 11.999 1.00 20.98 C ATOM 90 CG1 VAL A 12 17.436 5.679 10.942 1.00 21.58 C ATOM 91 CG2 VAL A 12 16.667 4.040 12.668 1.00 20.02 C ATOM 92 N THR A 13 15.027 8.114 11.801 1.00 22.30 N ATOM 93 CA THR A 13 14.817 9.369 11.095 1.00 24.63 C ATOM 94 C THR A 13 14.299 10.454 12.026 1.00 26.65 C ATOM 95 O THR A 13 14.421 11.637 11.727 1.00 28.16 O ATOM 96 CB THR A 13 13.803 9.216 9.940 1.00 22.74 C ATOM 97 OG1 THR A 13 12.533 8.816 10.469 1.00 21.00 O ATOM 98 CG2 THR A 13 14.291 8.190 8.925 1.00 24.01 C ATOM 99 N GLY A 14 13.724 10.043 13.153 1.00 27.88 N ATOM 100 CA GLY A 14 13.173 10.993 14.100 1.00 27.37 C ATOM 101 C GLY A 14 11.801 11.457 13.646 1.00 27.32 C ATOM 102 O GLY A 14 11.228 12.382 14.220 1.00 27.94 O ATOM 103 N THR A 15 11.267 10.803 12.618 1.00 25.60 N ATOM 104 CA THR A 15 9.964 11.157 12.061 1.00 24.40 C ATOM 105 C THR A 15 8.826 10.363 12.690 1.00 24.21 C ATOM 106 O THR A 15 8.961 9.160 12.923 1.00 24.38 O ATOM 107 CB THR A 15 9.921 10.887 10.543 1.00 25.21 C ATOM 108 OG1 THR A 15 10.997 11.575 9.895 1.00 28.70 O ATOM 109 CG2 THR A 15 8.589 11.356 9.952 1.00 26.82 C ATOM 110 N THR A 16 7.705 11.030 12.955 1.00 21.20 N ATOM 111 CA THR A 16 6.535 10.358 13.514 1.00 20.87 C ATOM 112 C THR A 16 5.509 10.140 12.402 1.00 22.62 C ATOM 113 O THR A 16 5.109 11.081 11.718 1.00 24.87 O ATOM 114 CB THR A 16 5.888 11.173 14.648 1.00 20.90 C ATOM 115 OG1 THR A 16 6.742 11.142 15.800 1.00 19.19 O ATOM 116 CG2 THR A 16 4.519 10.596 15.012 1.00 20.90 C ATOM 117 N HIS A 17 5.084 8.891 12.240 1.00 21.42 N ATOM 118 CA HIS A 17 4.131 8.518 11.204 1.00 23.03 C ATOM 119 C HIS A 17 2.799 8.038 11.770 1.00 23.01 C ATOM 120 O HIS A 17 2.725 7.578 12.914 1.00 24.75 O ATOM 121 CB HIS A 17 4.714 7.377 10.367 1.00 22.72 C ATOM 122 CG HIS A 17 6.077 7.653 9.817 1.00 23.78 C ATOM 123 ND1 HIS A 17 6.283 8.108 8.532 1.00 26.27 N ATOM 124 CD2 HIS A 17 7.303 7.545 10.379 1.00 24.92 C ATOM 125 CE1 HIS A 17 7.578 8.268 8.327 1.00 24.02 C ATOM 126 NE2 HIS A 17 8.220 7.934 9.431 1.00 25.18 N ATOM 127 N ARG A 18 1.747 8.155 10.963 1.00 22.82 N ATOM 128 CA ARG A 18 0.433 7.647 11.347 1.00 22.22 C ATOM 129 C ARG A 18 0.448 6.237 10.759 1.00 20.26 C ATOM 130 O ARG A 18 0.826 6.051 9.601 1.00 19.93 O ATOM 131 CB ARG A 18 -0.688 8.484 10.728 1.00 24.23 C ATOM 132 CG ARG A 18 -0.969 9.774 11.491 1.00 27.79 C ATOM 133 CD ARG A 18 -2.188 10.502 10.937 1.00 31.36 C ATOM 134 NE ARG A 18 -1.955 10.979 9.578 1.00 35.87 N ATOM 135 CZ ARG A 18 -2.818 11.710 8.882 1.00 38.00 C ATOM 136 NH1 ARG A 18 -3.984 12.055 9.418 1.00 40.48 N ATOM 137 NH2 ARG A 18 -2.517 12.097 7.649 1.00 39.23 N ATOM 138 N ILE A 19 0.049 5.245 11.546 1.00 19.10 N ATOM 139 CA ILE A 19 0.103 3.861 11.082 1.00 20.04 C ATOM 140 C ILE A 19 -0.632 3.543 9.776 1.00 20.71 C ATOM 141 O ILE A 19 -0.147 2.731 8.977 1.00 18.75 O ATOM 142 CB ILE A 19 -0.362 2.893 12.189 1.00 18.04 C ATOM 143 CG1 ILE A 19 0.083 1.473 11.848 1.00 19.24 C ATOM 144 CG2 ILE A 19 -1.876 2.953 12.347 1.00 20.60 C ATOM 145 CD1 ILE A 19 -0.169 0.470 12.957 1.00 17.59 C ATOM 146 N GLU A 20 -1.782 4.170 9.533 1.00 20.31 N ATOM 147 CA GLU A 20 -2.490 3.879 8.288 1.00 21.01 C ATOM 148 C GLU A 20 -1.658 4.316 7.080 1.00 20.70 C ATOM 149 O GLU A 20 -1.759 3.725 6.006 1.00 23.08 O ATOM 150 CB GLU A 20 -3.878 4.540 8.250 1.00 20.88 C ATOM 151 CG GLU A 20 -3.898 6.061 8.133 1.00 20.62 C ATOM 152 CD GLU A 20 -3.754 6.756 9.474 1.00 24.02 C ATOM 153 OE1 GLU A 20 -3.928 7.995 9.523 1.00 24.38 O ATOM 154 OE2 GLU A 20 -3.470 6.070 10.478 1.00 23.71 O ATOM 155 N ASP A 21 -0.833 5.344 7.245 1.00 20.19 N ATOM 156 CA ASP A 21 0.008 5.793 6.140 1.00 22.06 C ATOM 157 C ASP A 21 1.194 4.853 5.928 1.00 21.13 C ATOM 158 O ASP A 21 1.641 4.654 4.802 1.00 19.45 O ATOM 159 CB ASP A 21 0.516 7.216 6.382 1.00 21.47 C ATOM 160 CG ASP A 21 -0.602 8.233 6.380 1.00 24.14 C ATOM 161 OD1 ASP A 21 -1.639 7.963 5.738 1.00 24.23 O ATOM 162 OD2 ASP A 21 -0.441 9.303 7.004 1.00 26.37 O ATOM 163 N VAL A 22 1.695 4.279 7.019 1.00 21.62 N ATOM 164 CA VAL A 22 2.824 3.352 6.961 1.00 21.47 C ATOM 165 C VAL A 22 2.416 2.070 6.236 1.00 21.69 C ATOM 166 O VAL A 22 3.169 1.544 5.411 1.00 19.45 O ATOM 167 CB VAL A 22 3.316 2.980 8.374 1.00 20.26 C ATOM 168 CG1 VAL A 22 4.472 1.987 8.281 1.00 18.95 C ATOM 169 CG2 VAL A 22 3.761 4.237 9.117 1.00 19.14 C ATOM 170 N VAL A 23 1.216 1.583 6.541 1.00 21.38 N ATOM 171 CA VAL A 23 0.702 0.370 5.922 1.00 20.60 C ATOM 172 C VAL A 23 0.240 0.610 4.481 1.00 21.99 C ATOM 173 O VAL A 23 0.654 -0.110 3.559 1.00 22.18 O ATOM 174 CB VAL A 23 -0.470 -0.216 6.747 1.00 19.91 C ATOM 175 CG1 VAL A 23 -1.118 -1.372 5.990 1.00 19.40 C ATOM 176 CG2 VAL A 23 0.039 -0.704 8.094 1.00 16.88 C ATOM 177 N ASP A 24 -0.611 1.615 4.277 1.00 21.28 N ATOM 178 CA ASP A 24 -1.099 1.920 2.927 1.00 22.49 C ATOM 179 C ASP A 24 0.049 2.266 1.981 1.00 23.41 C ATOM 180 O ASP A 24 -0.021 1.995 0.775 1.00 24.16 O ATOM 181 CB ASP A 24 -2.090 3.095 2.940 1.00 21.95 C ATOM 182 CG ASP A 24 -3.424 2.740 3.558 1.00 21.81 C ATOM 183 OD1 ASP A 24 -3.678 1.546 3.825 1.00 23.56 O ATOM 184 OD2 ASP A 24 -4.233 3.667 3.772 1.00 24.76 O ATOM 185 N GLY A 25 1.095 2.882 2.526 1.00 22.36 N ATOM 186 CA GLY A 25 2.237 3.256 1.716 1.00 24.60 C ATOM 187 C GLY A 25 3.411 2.302 1.827 1.00 24.15 C ATOM 188 O GLY A 25 4.472 2.562 1.259 1.00 25.39 O ATOM 189 N ARG A 26 3.229 1.194 2.543 1.00 24.72 N ATOM 190 CA ARG A 26 4.294 0.207 2.731 1.00 25.40 C ATOM 191 C ARG A 26 5.635 0.874 3.002 1.00 24.65 C ATOM 192 O ARG A 26 6.662 0.494 2.436 1.00 24.42 O ATOM 193 CB ARG A 26 4.398 -0.690 1.499 1.00 28.33 C ATOM 194 CG ARG A 26 3.215 -1.608 1.362 1.00 33.64 C ATOM 195 CD ARG A 26 3.253 -2.398 0.074 1.00 39.47 C ATOM 196 NE ARG A 26 2.537 -3.654 0.254 1.00 43.22 N ATOM 197 CZ ARG A 26 3.009 -4.670 0.966 1.00 44.67 C ATOM 198 NH1 ARG A 26 4.196 -4.570 1.543 1.00 45.61 N ATOM 199 NH2 ARG A 26 2.289 -5.774 1.122 1.00 47.42 N ATOM 200 N LYS A 27 5.613 1.868 3.883 1.00 23.69 N ATOM 201 CA LYS A 27 6.804 2.624 4.236 1.00 22.74 C ATOM 202 C LYS A 27 7.768 1.806 5.096 1.00 20.75 C ATOM 203 O LYS A 27 7.368 1.230 6.105 1.00 19.32 O ATOM 204 CB LYS A 27 6.388 3.911 4.961 1.00 22.70 C ATOM 205 CG LYS A 27 5.431 4.778 4.140 1.00 24.98 C ATOM 206 CD LYS A 27 5.216 6.148 4.763 1.00 27.16 C ATOM 207 CE LYS A 27 4.382 7.037 3.844 1.00 28.89 C ATOM 208 NZ LYS A 27 4.229 8.438 4.350 1.00 30.73 N ATOM 209 N PRO A 28 9.057 1.759 4.703 1.00 20.78 N ATOM 210 CA PRO A 28 10.161 1.042 5.355 1.00 20.30 C ATOM 211 C PRO A 28 10.728 1.758 6.583 1.00 20.17 C ATOM 212 O PRO A 28 11.940 1.956 6.692 1.00 20.30 O ATOM 213 CB PRO A 28 11.193 0.947 4.241 1.00 19.63 C ATOM 214 CG PRO A 28 11.046 2.276 3.584 1.00 21.61 C ATOM 215 CD PRO A 28 9.539 2.423 3.472 1.00 20.34 C ATOM 216 N ILE A 29 9.859 2.135 7.510 1.00 19.25 N ATOM 217 CA ILE A 29 10.310 2.849 8.697 1.00 20.25 C ATOM 218 C ILE A 29 10.900 1.923 9.747 1.00 19.31 C ATOM 219 O ILE A 29 10.787 0.695 9.661 1.00 16.87 O ATOM 220 CB ILE A 29 9.145 3.612 9.373 1.00 20.14 C ATOM 221 CG1 ILE A 29 8.157 2.613 9.986 1.00 20.21 C ATOM 222 CG2 ILE A 29 8.439 4.497 8.355 1.00 21.85 C ATOM 223 CD1 ILE A 29 7.084 3.230 10.865 1.00 18.33 C ATOM 224 N HIS A 30 11.556 2.537 10.726 1.00 18.64 N ATOM 225 CA HIS A 30 12.098 1.816 11.863 1.00 16.68 C ATOM 226 C HIS A 30 11.188 2.280 12.997 1.00 17.23 C ATOM 227 O HIS A 30 10.506 3.303 12.877 1.00 17.33 O ATOM 228 CB HIS A 30 13.540 2.225 12.181 1.00 16.78 C ATOM 229 CG HIS A 30 14.553 1.664 11.237 1.00 18.70 C ATOM 230 ND1 HIS A 30 14.796 2.208 9.997 1.00 19.44 N ATOM 231 CD2 HIS A 30 15.342 0.567 11.331 1.00 20.00 C ATOM 232 CE1 HIS A 30 15.690 1.469 9.364 1.00 22.28 C ATOM 233 NE2 HIS A 30 16.036 0.466 10.151 1.00 19.84 N ATOM 234 N VAL A 31 11.164 1.526 14.082 1.00 16.65 N ATOM 235 CA VAL A 31 10.354 1.883 15.238 1.00 16.12 C ATOM 236 C VAL A 31 11.208 1.604 16.454 1.00 17.18 C ATOM 237 O VAL A 31 12.261 0.962 16.349 1.00 18.36 O ATOM 238 CB VAL A 31 9.101 0.998 15.353 1.00 16.86 C ATOM 239 CG1 VAL A 31 8.258 1.117 14.110 1.00 16.26 C ATOM 240 CG2 VAL A 31 9.528 -0.462 15.589 1.00 13.30 C ATOM 241 N VAL A 32 10.773 2.092 17.607 1.00 15.43 N ATOM 242 CA VAL A 32 11.497 1.799 18.830 1.00 17.05 C ATOM 243 C VAL A 32 10.834 0.514 19.315 1.00 17.78 C ATOM 244 O VAL A 32 9.622 0.481 19.534 1.00 18.32 O ATOM 245 CB VAL A 32 11.321 2.891 19.896 1.00 16.21 C ATOM 246 CG1 VAL A 32 12.031 2.474 21.186 1.00 14.82 C ATOM 247 CG2 VAL A 32 11.887 4.201 19.394 1.00 17.79 C ATOM 248 N ALA A 33 11.618 -0.549 19.439 1.00 18.82 N ATOM 249 CA ALA A 33 11.085 -1.827 19.888 1.00 20.36 C ATOM 250 C ALA A 33 11.612 -2.110 21.281 1.00 21.24 C ATOM 251 O ALA A 33 12.665 -1.607 21.666 1.00 23.30 O ATOM 252 CB ALA A 33 11.507 -2.941 18.937 1.00 20.00 C ATOM 253 N ALA A 34 10.876 -2.917 22.034 1.00 21.85 N ATOM 254 CA ALA A 34 11.280 -3.273 23.386 1.00 21.61 C ATOM 255 C ALA A 34 11.667 -4.743 23.422 1.00 22.43 C ATOM 256 O ALA A 34 10.950 -5.593 22.891 1.00 20.35 O ATOM 257 CB ALA A 34 10.137 -3.014 24.358 1.00 21.95 C ATOM 258 N ALA A 35 12.813 -5.034 24.026 1.00 24.53 N ATOM 259 CA ALA A 35 13.278 -6.409 24.141 1.00 28.98 C ATOM 260 C ALA A 35 12.548 -7.060 25.312 1.00 32.98 C ATOM 261 O ALA A 35 11.674 -6.447 25.931 1.00 33.21 O ATOM 262 CB ALA A 35 14.783 -6.438 24.379 1.00 27.29 C ATOM 263 N LYS A 36 12.906 -8.303 25.612 1.00 36.46 N ATOM 264 CA LYS A 36 12.291 -9.022 26.719 1.00 40.12 C ATOM 265 C LYS A 36 12.845 -8.479 28.037 1.00 41.05 C ATOM 266 O LYS A 36 12.123 -8.385 29.030 1.00 42.40 O ATOM 267 CB LYS A 36 12.582 -10.521 26.586 1.00 41.64 C ATOM 268 CG LYS A 36 12.168 -11.093 25.228 1.00 44.01 C ATOM 269 CD LYS A 36 12.653 -12.523 25.011 1.00 45.25 C ATOM 270 CE LYS A 36 11.867 -13.532 25.835 1.00 46.62 C ATOM 271 NZ LYS A 36 12.023 -13.333 27.302 1.00 48.17 N ATOM 272 N ASP A 37 14.122 -8.104 28.035 1.00 42.64 N ATOM 273 CA ASP A 37 14.765 -7.568 29.232 1.00 43.41 C ATOM 274 C ASP A 37 14.398 -6.111 29.475 1.00 43.35 C ATOM 275 O ASP A 37 14.989 -5.452 30.332 1.00 44.60 O ATOM 276 CB ASP A 37 16.289 -7.690 29.134 1.00 44.88 C ATOM 277 CG ASP A 37 16.869 -6.892 27.982 1.00 45.40 C ATOM 278 OD1 ASP A 37 16.576 -5.685 27.883 1.00 46.01 O ATOM 279 OD2 ASP A 37 17.627 -7.473 27.177 1.00 47.65 O ATOM 280 N GLY A 38 13.443 -5.606 28.701 1.00 42.54 N ATOM 281 CA GLY A 38 13.001 -4.232 28.868 1.00 40.29 C ATOM 282 C GLY A 38 13.685 -3.167 28.029 1.00 37.93 C ATOM 283 O GLY A 38 13.079 -2.133 27.737 1.00 37.93 O ATOM 284 N THR A 39 14.936 -3.400 27.642 1.00 34.61 N ATOM 285 CA THR A 39 15.672 -2.423 26.847 1.00 30.87 C ATOM 286 C THR A 39 14.979 -2.066 25.534 1.00 27.56 C ATOM 287 O THR A 39 14.305 -2.897 24.914 1.00 24.89 O ATOM 288 CB THR A 39 17.116 -2.907 26.541 1.00 31.51 C ATOM 289 OG1 THR A 39 17.075 -4.191 25.909 1.00 32.04 O ATOM 290 CG2 THR A 39 17.931 -3.004 27.826 1.00 31.75 C ATOM 291 N LEU A 40 15.148 -0.812 25.124 1.00 24.80 N ATOM 292 CA LEU A 40 14.558 -0.314 23.892 1.00 21.66 C ATOM 293 C LEU A 40 15.608 -0.296 22.785 1.00 22.24 C ATOM 294 O LEU A 40 16.777 0.026 23.025 1.00 21.91 O ATOM 295 CB LEU A 40 14.004 1.096 24.109 1.00 19.32 C ATOM 296 CG LEU A 40 12.918 1.258 25.180 1.00 18.15 C ATOM 297 CD1 LEU A 40 12.535 2.716 25.291 1.00 19.31 C ATOM 298 CD2 LEU A 40 11.702 0.418 24.820 1.00 20.93 C ATOM 299 N HIS A 41 15.181 -0.639 21.572 1.00 21.74 N ATOM 300 CA HIS A 41 16.078 -0.685 20.422 1.00 21.96 C ATOM 301 C HIS A 41 15.342 -0.289 19.158 1.00 22.27 C ATOM 302 O HIS A 41 14.119 -0.406 19.077 1.00 23.04 O ATOM 303 CB HIS A 41 16.609 -2.104 20.221 1.00 23.09 C ATOM 304 CG HIS A 41 17.245 -2.692 21.437 1.00 25.64 C ATOM 305 ND1 HIS A 41 18.545 -2.419 21.802 1.00 26.09 N ATOM 306 CD2 HIS A 41 16.752 -3.522 22.386 1.00 27.34 C ATOM 307 CE1 HIS A 41 18.826 -3.057 22.924 1.00 28.07 C ATOM 308 NE2 HIS A 41 17.755 -3.732 23.300 1.00 29.88 N ATOM 309 N ALA A 42 16.094 0.167 18.163 1.00 19.59 N ATOM 310 CA ALA A 42 15.510 0.541 16.881 1.00 18.59 C ATOM 311 C ALA A 42 15.453 -0.716 16.020 1.00 18.54 C ATOM 312 O ALA A 42 16.439 -1.443 15.917 1.00 19.90 O ATOM 313 CB ALA A 42 16.371 1.594 16.203 1.00 18.45 C ATOM 314 N ARG A 43 14.304 -0.977 15.407 1.00 17.90 N ATOM 315 CA ARG A 43 14.155 -2.153 14.555 1.00 18.72 C ATOM 316 C ARG A 43 13.317 -1.806 13.326 1.00 18.43 C ATOM 317 O ARG A 43 12.420 -0.958 13.389 1.00 19.22 O ATOM 318 CB ARG A 43 13.505 -3.297 15.345 1.00 17.50 C ATOM 319 CG ARG A 43 14.421 -3.962 16.367 1.00 17.03 C ATOM 320 CD ARG A 43 15.463 -4.835 15.677 1.00 18.07 C ATOM 321 NE ARG A 43 16.334 -5.566 16.598 1.00 18.01 N ATOM 322 CZ ARG A 43 17.310 -5.020 17.319 1.00 18.61 C ATOM 323 NH1 ARG A 43 17.558 -3.718 17.246 1.00 15.01 N ATOM 324 NH2 ARG A 43 18.054 -5.782 18.108 1.00 16.40 N ATOM 325 N PRO A 44 13.592 -2.459 12.188 1.00 18.38 N ATOM 326 CA PRO A 44 12.822 -2.156 10.981 1.00 18.15 C ATOM 327 C PRO A 44 11.490 -2.892 10.851 1.00 18.91 C ATOM 328 O PRO A 44 11.320 -3.998 11.376 1.00 17.20 O ATOM 329 CB PRO A 44 13.791 -2.534 9.867 1.00 17.55 C ATOM 330 CG PRO A 44 14.456 -3.757 10.434 1.00 19.26 C ATOM 331 CD PRO A 44 14.731 -3.349 11.880 1.00 18.04 C ATOM 332 N VAL A 45 10.547 -2.266 10.149 1.00 19.59 N ATOM 333 CA VAL A 45 9.249 -2.878 9.886 1.00 20.17 C ATOM 334 C VAL A 45 9.468 -3.652 8.591 1.00 22.24 C ATOM 335 O VAL A 45 9.963 -3.090 7.618 1.00 23.24 O ATOM 336 CB VAL A 45 8.142 -1.824 9.669 1.00 21.56 C ATOM 337 CG1 VAL A 45 6.864 -2.504 9.143 1.00 21.91 C ATOM 338 CG2 VAL A 45 7.842 -1.112 10.981 1.00 20.11 C ATOM 339 N VAL A 46 9.116 -4.936 8.581 1.00 22.41 N ATOM 340 CA VAL A 46 9.323 -5.768 7.401 1.00 22.68 C ATOM 341 C VAL A 46 8.043 -6.317 6.779 1.00 23.33 C ATOM 342 O VAL A 46 8.084 -6.990 5.750 1.00 22.89 O ATOM 343 CB VAL A 46 10.263 -6.944 7.728 1.00 22.80 C ATOM 344 CG1 VAL A 46 11.583 -6.410 8.269 1.00 20.00 C ATOM 345 CG2 VAL A 46 9.616 -7.864 8.742 1.00 23.98 C ATOM 346 N SER A 47 6.904 -6.031 7.398 1.00 24.92 N ATOM 347 CA SER A 47 5.632 -6.493 6.862 1.00 25.45 C ATOM 348 C SER A 47 4.539 -5.524 7.315 1.00 26.10 C ATOM 349 O SER A 47 4.593 -5.002 8.427 1.00 25.69 O ATOM 350 CB SER A 47 5.349 -7.923 7.345 1.00 26.95 C ATOM 351 OG SER A 47 4.430 -8.579 6.490 1.00 28.94 O ATOM 352 N TRP A 48 3.558 -5.281 6.446 1.00 25.28 N ATOM 353 CA TRP A 48 2.465 -4.350 6.738 1.00 24.48 C ATOM 354 C TRP A 48 1.091 -5.018 6.633 1.00 24.99 C ATOM 355 O TRP A 48 0.794 -5.682 5.637 1.00 24.48 O ATOM 356 CB TRP A 48 2.525 -3.180 5.755 1.00 23.36 C ATOM 357 CG TRP A 48 3.853 -2.492 5.708 1.00 23.66 C ATOM 358 CD1 TRP A 48 4.187 -1.310 6.307 1.00 21.39 C ATOM 359 CD2 TRP A 48 5.034 -2.942 5.026 1.00 23.48 C ATOM 360 NE1 TRP A 48 5.495 -0.996 6.037 1.00 20.77 N ATOM 361 CE2 TRP A 48 6.039 -1.980 5.254 1.00 22.24 C ATOM 362 CE3 TRP A 48 5.339 -4.066 4.244 1.00 24.78 C ATOM 363 CZ2 TRP A 48 7.335 -2.105 4.725 1.00 22.40 C ATOM 364 CZ3 TRP A 48 6.623 -4.192 3.720 1.00 23.58 C ATOM 365 CH2 TRP A 48 7.605 -3.215 3.963 1.00 22.68 C ATOM 366 N PHE A 49 0.240 -4.822 7.638 1.00 23.71 N ATOM 367 CA PHE A 49 -1.084 -5.437 7.608 1.00 25.44 C ATOM 368 C PHE A 49 -2.270 -4.499 7.795 1.00 24.20 C ATOM 369 O PHE A 49 -2.348 -3.766 8.781 1.00 22.93 O ATOM 370 CB PHE A 49 -1.180 -6.548 8.659 1.00 26.03 C ATOM 371 CG PHE A 49 -0.089 -7.574 8.556 1.00 27.55 C ATOM 372 CD1 PHE A 49 1.039 -7.491 9.366 1.00 28.32 C ATOM 373 CD2 PHE A 49 -0.175 -8.609 7.630 1.00 27.00 C ATOM 374 CE1 PHE A 49 2.070 -8.428 9.256 1.00 29.03 C ATOM 375 CE2 PHE A 49 0.847 -9.548 7.510 1.00 28.45 C ATOM 376 CZ PHE A 49 1.971 -9.457 8.325 1.00 28.16 C ATOM 377 N ASP A 50 -3.186 -4.532 6.830 1.00 24.18 N ATOM 378 CA ASP A 50 -4.411 -3.741 6.880 1.00 24.88 C ATOM 379 C ASP A 50 -5.417 -4.746 7.422 1.00 25.49 C ATOM 380 O ASP A 50 -5.824 -5.670 6.717 1.00 25.58 O ATOM 381 CB ASP A 50 -4.836 -3.286 5.481 1.00 25.62 C ATOM 382 CG ASP A 50 -6.080 -2.409 5.504 1.00 26.95 C ATOM 383 OD1 ASP A 50 -7.001 -2.714 6.288 1.00 26.74 O ATOM 384 OD2 ASP A 50 -6.142 -1.421 4.740 1.00 27.23 O ATOM 385 N GLN A 51 -5.808 -4.568 8.678 1.00 25.76 N ATOM 386 CA GLN A 51 -6.731 -5.482 9.344 1.00 26.69 C ATOM 387 C GLN A 51 -8.212 -5.175 9.139 1.00 27.25 C ATOM 388 O GLN A 51 -9.076 -5.903 9.635 1.00 26.63 O ATOM 389 CB GLN A 51 -6.415 -5.505 10.841 1.00 28.61 C ATOM 390 CG GLN A 51 -4.970 -5.854 11.154 1.00 31.38 C ATOM 391 CD GLN A 51 -4.637 -7.296 10.830 1.00 34.73 C ATOM 392 OE1 GLN A 51 -3.520 -7.753 11.066 1.00 37.50 O ATOM 393 NE2 GLN A 51 -5.608 -8.025 10.286 1.00 37.92 N ATOM 394 N GLY A 52 -8.509 -4.097 8.421 1.00 27.47 N ATOM 395 CA GLY A 52 -9.897 -3.747 8.178 1.00 28.66 C ATOM 396 C GLY A 52 -10.488 -2.958 9.326 1.00 29.81 C ATOM 397 O GLY A 52 -9.771 -2.564 10.241 1.00 28.45 O ATOM 398 N THR A 53 -11.798 -2.736 9.288 1.00 30.13 N ATOM 399 CA THR A 53 -12.472 -1.974 10.334 1.00 31.53 C ATOM 400 C THR A 53 -12.918 -2.854 11.495 1.00 30.91 C ATOM 401 O THR A 53 -13.566 -3.886 11.299 1.00 30.40 O ATOM 402 CB THR A 53 -13.694 -1.221 9.765 1.00 33.34 C ATOM 403 OG1 THR A 53 -13.249 -0.260 8.799 1.00 36.07 O ATOM 404 CG2 THR A 53 -14.448 -0.495 10.878 1.00 34.99 C ATOM 405 N ARG A 54 -12.560 -2.432 12.705 1.00 29.99 N ATOM 406 CA ARG A 54 -12.905 -3.160 13.925 1.00 28.93 C ATOM 407 C ARG A 54 -13.125 -2.205 15.092 1.00 26.40 C ATOM 408 O ARG A 54 -12.837 -1.006 15.002 1.00 23.83 O ATOM 409 CB ARG A 54 -11.778 -4.109 14.324 1.00 31.18 C ATOM 410 CG ARG A 54 -11.355 -5.072 13.261 1.00 37.65 C ATOM 411 CD ARG A 54 -10.185 -5.885 13.749 1.00 40.74 C ATOM 412 NE ARG A 54 -9.805 -6.894 12.773 1.00 45.55 N ATOM 413 CZ ARG A 54 -8.819 -7.764 12.949 1.00 47.25 C ATOM 414 NH1 ARG A 54 -8.111 -7.746 14.070 1.00 49.57 N ATOM 415 NH2 ARG A 54 -8.543 -8.647 12.002 1.00 47.96 N ATOM 416 N ASP A 55 -13.622 -2.752 16.194 1.00 24.02 N ATOM 417 CA ASP A 55 -13.833 -1.957 17.390 1.00 24.32 C ATOM 418 C ASP A 55 -12.498 -1.751 18.101 1.00 22.32 C ATOM 419 O ASP A 55 -11.732 -2.693 18.287 1.00 21.82 O ATOM 420 CB ASP A 55 -14.786 -2.662 18.350 1.00 27.37 C ATOM 421 CG ASP A 55 -16.226 -2.584 17.903 1.00 30.91 C ATOM 422 OD1 ASP A 55 -16.612 -1.559 17.300 1.00 32.68 O ATOM 423 OD2 ASP A 55 -16.971 -3.543 18.178 1.00 34.10 O ATOM 424 N VAL A 56 -12.226 -0.513 18.486 1.00 21.19 N ATOM 425 CA VAL A 56 -11.010 -0.190 19.213 1.00 20.69 C ATOM 426 C VAL A 56 -11.405 0.602 20.456 1.00 20.02 C ATOM 427 O VAL A 56 -12.311 1.436 20.406 1.00 21.68 O ATOM 428 CB VAL A 56 -10.038 0.653 18.357 1.00 20.65 C ATOM 429 CG1 VAL A 56 -9.579 -0.162 17.153 1.00 17.07 C ATOM 430 CG2 VAL A 56 -10.710 1.946 17.905 1.00 19.52 C ATOM 431 N ILE A 57 -10.753 0.304 21.573 1.00 18.94 N ATOM 432 CA ILE A 57 -11.006 1.005 22.824 1.00 18.12 C ATOM 433 C ILE A 57 -9.877 2.006 23.005 1.00 19.43 C ATOM 434 O ILE A 57 -8.834 1.908 22.340 1.00 15.83 O ATOM 435 CB ILE A 57 -11.023 0.046 24.032 1.00 19.16 C ATOM 436 CG1 ILE A 57 -9.686 -0.688 24.149 1.00 19.37 C ATOM 437 CG2 ILE A 57 -12.170 -0.939 23.891 1.00 20.05 C ATOM 438 CD1 ILE A 57 -9.565 -1.555 25.396 1.00 17.81 C ATOM 439 N GLY A 58 -10.085 2.975 23.887 1.00 17.68 N ATOM 440 CA GLY A 58 -9.061 3.970 24.113 1.00 16.25 C ATOM 441 C GLY A 58 -8.505 3.949 25.523 1.00 16.23 C ATOM 442 O GLY A 58 -9.254 3.838 26.501 1.00 17.54 O ATOM 443 N LEU A 59 -7.184 4.027 25.632 1.00 14.55 N ATOM 444 CA LEU A 59 -6.538 4.057 26.935 1.00 15.86 C ATOM 445 C LEU A 59 -5.923 5.440 27.090 1.00 16.51 C ATOM 446 O LEU A 59 -4.874 5.721 26.515 1.00 17.08 O ATOM 447 CB LEU A 59 -5.440 2.996 27.036 1.00 17.08 C ATOM 448 CG LEU A 59 -5.886 1.541 26.871 1.00 18.33 C ATOM 449 CD1 LEU A 59 -4.681 0.628 26.977 1.00 21.05 C ATOM 450 CD2 LEU A 59 -6.912 1.190 27.934 1.00 19.42 C ATOM 451 N ARG A 60 -6.598 6.299 27.849 1.00 15.23 N ATOM 452 CA ARG A 60 -6.129 7.658 28.100 1.00 16.74 C ATOM 453 C ARG A 60 -5.067 7.576 29.192 1.00 18.84 C ATOM 454 O ARG A 60 -5.350 7.121 30.300 1.00 18.69 O ATOM 455 CB ARG A 60 -7.293 8.536 28.571 1.00 17.69 C ATOM 456 CG ARG A 60 -6.896 9.961 28.942 1.00 21.00 C ATOM 457 CD ARG A 60 -6.467 10.759 27.725 1.00 22.75 C ATOM 458 NE ARG A 60 -7.593 11.019 26.829 1.00 24.10 N ATOM 459 CZ ARG A 60 -7.479 11.615 25.645 1.00 28.42 C ATOM 460 NH1 ARG A 60 -6.288 12.012 25.213 1.00 28.54 N ATOM 461 NH2 ARG A 60 -8.554 11.816 24.894 1.00 27.50 N ATOM 462 N ILE A 61 -3.852 8.022 28.884 1.00 19.25 N ATOM 463 CA ILE A 61 -2.760 7.946 29.850 1.00 21.51 C ATOM 464 C ILE A 61 -2.477 9.257 30.565 1.00 23.38 C ATOM 465 O ILE A 61 -2.737 10.335 30.031 1.00 24.71 O ATOM 466 CB ILE A 61 -1.445 7.481 29.173 1.00 21.71 C ATOM 467 CG1 ILE A 61 -1.686 6.188 28.389 1.00 23.91 C ATOM 468 CG2 ILE A 61 -0.371 7.235 30.228 1.00 20.26 C ATOM 469 CD1 ILE A 61 -2.263 5.061 29.218 1.00 24.59 C ATOM 470 N ALA A 62 -1.945 9.153 31.780 1.00 24.08 N ATOM 471 CA ALA A 62 -1.599 10.332 32.555 1.00 24.50 C ATOM 472 C ALA A 62 -0.723 11.167 31.640 1.00 24.72 C ATOM 473 O ALA A 62 0.220 10.661 31.046 1.00 24.18 O ATOM 474 CB ALA A 62 -0.833 9.938 33.808 1.00 24.97 C ATOM 475 N GLY A 63 -1.046 12.447 31.515 1.00 26.69 N ATOM 476 CA GLY A 63 -0.274 13.305 30.638 1.00 27.26 C ATOM 477 C GLY A 63 -1.157 13.778 29.502 1.00 28.40 C ATOM 478 O GLY A 63 -0.956 14.865 28.957 1.00 30.49 O ATOM 479 N GLY A 64 -2.140 12.955 29.143 1.00 27.75 N ATOM 480 CA GLY A 64 -3.055 13.321 28.078 1.00 25.60 C ATOM 481 C GLY A 64 -3.047 12.457 26.827 1.00 24.11 C ATOM 482 O GLY A 64 -3.983 12.526 26.038 1.00 25.52 O ATOM 483 N ALA A 65 -2.012 11.648 26.626 1.00 23.82 N ATOM 484 CA ALA A 65 -1.957 10.800 25.432 1.00 23.00 C ATOM 485 C ALA A 65 -3.059 9.739 25.449 1.00 23.10 C ATOM 486 O ALA A 65 -3.588 9.392 26.504 1.00 20.42 O ATOM 487 CB ALA A 65 -0.597 10.126 25.327 1.00 25.12 C ATOM 488 N ILE A 66 -3.416 9.234 24.275 1.00 21.94 N ATOM 489 CA ILE A 66 -4.439 8.203 24.199 1.00 22.15 C ATOM 490 C ILE A 66 -4.153 7.183 23.110 1.00 21.09 C ATOM 491 O ILE A 66 -3.907 7.535 21.955 1.00 21.73 O ATOM 492 CB ILE A 66 -5.845 8.800 23.978 1.00 23.01 C ATOM 493 CG1 ILE A 66 -6.881 7.673 23.986 1.00 22.73 C ATOM 494 CG2 ILE A 66 -5.892 9.567 22.671 1.00 23.72 C ATOM 495 CD1 ILE A 66 -8.317 8.147 24.133 1.00 25.85 C ATOM 496 N LEU A 67 -4.173 5.911 23.499 1.00 19.52 N ATOM 497 CA LEU A 67 -3.926 4.809 22.578 1.00 19.77 C ATOM 498 C LEU A 67 -5.239 4.133 22.211 1.00 18.13 C ATOM 499 O LEU A 67 -6.025 3.781 23.086 1.00 18.71 O ATOM 500 CB LEU A 67 -3.000 3.776 23.229 1.00 20.49 C ATOM 501 CG LEU A 67 -2.756 2.463 22.478 1.00 21.35 C ATOM 502 CD1 LEU A 67 -1.818 2.710 21.305 1.00 24.14 C ATOM 503 CD2 LEU A 67 -2.156 1.436 23.428 1.00 22.93 C ATOM 504 N TRP A 68 -5.483 3.979 20.914 1.00 17.12 N ATOM 505 CA TRP A 68 -6.683 3.314 20.438 1.00 18.15 C ATOM 506 C TRP A 68 -6.273 1.989 19.798 1.00 18.06 C ATOM 507 O TRP A 68 -5.587 1.965 18.772 1.00 18.25 O ATOM 508 CB TRP A 68 -7.425 4.182 19.415 1.00 17.58 C ATOM 509 CG TRP A 68 -8.069 5.392 20.008 1.00 19.25 C ATOM 510 CD1 TRP A 68 -7.567 6.664 20.037 1.00 17.57 C ATOM 511 CD2 TRP A 68 -9.349 5.449 20.655 1.00 17.32 C ATOM 512 NE1 TRP A 68 -8.459 7.509 20.661 1.00 18.06 N ATOM 513 CE2 TRP A 68 -9.558 6.789 21.052 1.00 18.60 C ATOM 514 CE3 TRP A 68 -10.335 4.498 20.940 1.00 17.32 C ATOM 515 CZ2 TRP A 68 -10.719 7.202 21.718 1.00 17.85 C ATOM 516 CZ3 TRP A 68 -11.495 4.910 21.608 1.00 17.53 C ATOM 517 CH2 TRP A 68 -11.673 6.253 21.987 1.00 18.40 C ATOM 518 N ALA A 69 -6.681 0.888 20.415 1.00 16.39 N ATOM 519 CA ALA A 69 -6.342 -0.432 19.907 1.00 16.75 C ATOM 520 C ALA A 69 -7.494 -1.385 20.149 1.00 17.06 C ATOM 521 O ALA A 69 -8.417 -1.075 20.905 1.00 17.81 O ATOM 522 CB ALA A 69 -5.089 -0.945 20.606 1.00 16.40 C ATOM 523 N THR A 70 -7.455 -2.544 19.499 1.00 18.78 N ATOM 524 CA THR A 70 -8.496 -3.540 19.708 1.00 19.13 C ATOM 525 C THR A 70 -8.337 -4.014 21.151 1.00 20.01 C ATOM 526 O THR A 70 -7.251 -3.910 21.731 1.00 21.08 O ATOM 527 CB THR A 70 -8.333 -4.737 18.749 1.00 20.15 C ATOM 528 OG1 THR A 70 -6.981 -5.207 18.799 1.00 20.67 O ATOM 529 CG2 THR A 70 -8.670 -4.328 17.323 1.00 20.23 C ATOM 530 N PRO A 71 -9.413 -4.529 21.759 1.00 20.08 N ATOM 531 CA PRO A 71 -9.304 -4.992 23.147 1.00 20.52 C ATOM 532 C PRO A 71 -8.317 -6.133 23.363 1.00 20.05 C ATOM 533 O PRO A 71 -7.854 -6.356 24.483 1.00 19.58 O ATOM 534 CB PRO A 71 -10.740 -5.386 23.497 1.00 21.67 C ATOM 535 CG PRO A 71 -11.319 -5.767 22.187 1.00 22.23 C ATOM 536 CD PRO A 71 -10.785 -4.702 21.257 1.00 20.67 C ATOM 537 N ASP A 72 -7.981 -6.854 22.298 1.00 20.15 N ATOM 538 CA ASP A 72 -7.053 -7.961 22.445 1.00 20.20 C ATOM 539 C ASP A 72 -5.609 -7.589 22.130 1.00 19.73 C ATOM 540 O ASP A 72 -4.723 -8.439 22.193 1.00 20.16 O ATOM 541 CB ASP A 72 -7.504 -9.155 21.590 1.00 21.56 C ATOM 542 CG ASP A 72 -7.534 -8.847 20.101 1.00 22.64 C ATOM 543 OD1 ASP A 72 -7.596 -7.657 19.717 1.00 24.74 O ATOM 544 OD2 ASP A 72 -7.513 -9.808 19.310 1.00 22.99 O ATOM 545 N HIS A 73 -5.357 -6.322 21.805 1.00 17.55 N ATOM 546 CA HIS A 73 -3.986 -5.916 21.503 1.00 18.97 C ATOM 547 C HIS A 73 -3.193 -5.894 22.808 1.00 18.68 C ATOM 548 O HIS A 73 -3.669 -5.376 23.823 1.00 18.60 O ATOM 549 CB HIS A 73 -3.938 -4.532 20.857 1.00 20.20 C ATOM 550 CG HIS A 73 -2.663 -4.269 20.116 1.00 20.08 C ATOM 551 ND1 HIS A 73 -2.466 -4.668 18.810 1.00 20.82 N ATOM 552 CD2 HIS A 73 -1.491 -3.726 20.523 1.00 21.49 C ATOM 553 CE1 HIS A 73 -1.228 -4.385 18.447 1.00 21.81 C ATOM 554 NE2 HIS A 73 -0.614 -3.813 19.468 1.00 21.43 N ATOM 555 N LYS A 74 -1.989 -6.454 22.781 1.00 19.08 N ATOM 556 CA LYS A 74 -1.157 -6.519 23.974 1.00 20.02 C ATOM 557 C LYS A 74 -0.336 -5.258 24.248 1.00 18.54 C ATOM 558 O LYS A 74 0.250 -4.669 23.344 1.00 18.05 O ATOM 559 CB LYS A 74 -0.237 -7.747 23.900 1.00 22.54 C ATOM 560 CG LYS A 74 -0.999 -9.062 23.899 1.00 25.01 C ATOM 561 CD LYS A 74 -0.068 -10.257 23.840 1.00 28.97 C ATOM 562 CE LYS A 74 -0.857 -11.551 23.698 1.00 31.12 C ATOM 563 NZ LYS A 74 -1.695 -11.599 22.454 1.00 29.71 N ATOM 564 N VAL A 75 -0.308 -4.868 25.518 1.00 17.65 N ATOM 565 CA VAL A 75 0.408 -3.687 25.976 1.00 17.24 C ATOM 566 C VAL A 75 1.365 -4.104 27.088 1.00 16.84 C ATOM 567 O VAL A 75 1.023 -4.969 27.898 1.00 18.87 O ATOM 568 CB VAL A 75 -0.583 -2.645 26.561 1.00 18.09 C ATOM 569 CG1 VAL A 75 0.151 -1.356 26.904 1.00 15.67 C ATOM 570 CG2 VAL A 75 -1.722 -2.385 25.578 1.00 18.69 C ATOM 571 N LEU A 76 2.558 -3.513 27.128 1.00 15.90 N ATOM 572 CA LEU A 76 3.512 -3.828 28.198 1.00 17.64 C ATOM 573 C LEU A 76 3.104 -3.010 29.426 1.00 16.71 C ATOM 574 O LEU A 76 3.033 -1.780 29.373 1.00 17.37 O ATOM 575 CB LEU A 76 4.950 -3.469 27.791 1.00 16.96 C ATOM 576 CG LEU A 76 6.006 -3.581 28.900 1.00 16.33 C ATOM 577 CD1 LEU A 76 5.986 -4.990 29.492 1.00 19.46 C ATOM 578 CD2 LEU A 76 7.382 -3.260 28.342 1.00 14.46 C ATOM 579 N THR A 77 2.838 -3.693 30.527 1.00 17.48 N ATOM 580 CA THR A 77 2.414 -3.017 31.742 1.00 20.02 C ATOM 581 C THR A 77 3.341 -3.365 32.898 1.00 20.05 C ATOM 582 O THR A 77 4.266 -4.163 32.744 1.00 19.50 O ATOM 583 CB THR A 77 0.981 -3.432 32.129 1.00 18.73 C ATOM 584 OG1 THR A 77 0.999 -4.763 32.656 1.00 18.11 O ATOM 585 CG2 THR A 77 0.071 -3.408 30.906 1.00 19.99 C ATOM 586 N GLU A 78 3.075 -2.765 34.053 1.00 20.28 N ATOM 587 CA GLU A 78 3.864 -3.000 35.258 1.00 21.23 C ATOM 588 C GLU A 78 3.790 -4.466 35.689 1.00 23.65 C ATOM 589 O GLU A 78 4.622 -4.939 36.462 1.00 24.55 O ATOM 590 CB GLU A 78 3.347 -2.115 36.384 1.00 23.03 C ATOM 591 CG GLU A 78 1.843 -2.218 36.558 1.00 21.66 C ATOM 592 CD GLU A 78 1.336 -1.429 37.736 1.00 22.38 C ATOM 593 OE1 GLU A 78 0.120 -1.146 37.763 1.00 22.34 O ATOM 594 OE2 GLU A 78 2.145 -1.106 38.635 1.00 22.53 O ATOM 595 N TYR A 79 2.787 -5.182 35.196 1.00 23.61 N ATOM 596 CA TYR A 79 2.641 -6.587 35.542 1.00 25.40 C ATOM 597 C TYR A 79 2.855 -7.487 34.325 1.00 25.93 C ATOM 598 O TYR A 79 2.379 -8.626 34.285 1.00 26.51 O ATOM 599 CB TYR A 79 1.265 -6.824 36.169 1.00 25.74 C ATOM 600 CG TYR A 79 1.029 -5.973 37.400 1.00 27.48 C ATOM 601 CD1 TYR A 79 1.913 -6.017 38.487 1.00 27.96 C ATOM 602 CD2 TYR A 79 -0.068 -5.114 37.476 1.00 27.32 C ATOM 603 CE1 TYR A 79 1.705 -5.221 39.621 1.00 28.58 C ATOM 604 CE2 TYR A 79 -0.286 -4.317 38.604 1.00 28.13 C ATOM 605 CZ TYR A 79 0.602 -4.374 39.670 1.00 29.14 C ATOM 606 OH TYR A 79 0.377 -3.590 40.779 1.00 27.91 O ATOM 607 N GLY A 80 3.585 -6.967 33.340 1.00 25.39 N ATOM 608 CA GLY A 80 3.870 -7.726 32.134 1.00 25.21 C ATOM 609 C GLY A 80 2.934 -7.419 30.982 1.00 25.15 C ATOM 610 O GLY A 80 2.187 -6.445 31.022 1.00 25.18 O ATOM 611 N TRP A 81 2.974 -8.252 29.948 1.00 25.44 N ATOM 612 CA TRP A 81 2.119 -8.055 28.782 1.00 24.91 C ATOM 613 C TRP A 81 0.679 -8.420 29.091 1.00 23.62 C ATOM 614 O TRP A 81 0.402 -9.477 29.659 1.00 22.50 O ATOM 615 CB TRP A 81 2.616 -8.886 27.600 1.00 26.09 C ATOM 616 CG TRP A 81 3.908 -8.403 27.073 1.00 28.28 C ATOM 617 CD1 TRP A 81 5.150 -8.847 27.417 1.00 29.34 C ATOM 618 CD2 TRP A 81 4.104 -7.327 26.149 1.00 29.57 C ATOM 619 NE1 TRP A 81 6.112 -8.110 26.763 1.00 30.84 N ATOM 620 CE2 TRP A 81 5.496 -7.170 25.980 1.00 30.00 C ATOM 621 CE3 TRP A 81 3.237 -6.476 25.448 1.00 31.04 C ATOM 622 CZ2 TRP A 81 6.045 -6.195 25.135 1.00 30.69 C ATOM 623 CZ3 TRP A 81 3.786 -5.504 24.607 1.00 31.12 C ATOM 624 CH2 TRP A 81 5.177 -5.375 24.461 1.00 29.67 C ATOM 625 N ARG A 82 -0.238 -7.535 28.716 1.00 23.50 N ATOM 626 CA ARG A 82 -1.659 -7.760 28.957 1.00 23.88 C ATOM 627 C ARG A 82 -2.525 -7.134 27.870 1.00 22.82 C ATOM 628 O ARG A 82 -2.191 -6.074 27.326 1.00 21.18 O ATOM 629 CB ARG A 82 -2.074 -7.171 30.310 1.00 24.88 C ATOM 630 CG ARG A 82 -1.427 -7.816 31.513 1.00 28.97 C ATOM 631 CD ARG A 82 -1.972 -7.213 32.796 1.00 31.90 C ATOM 632 NE ARG A 82 -3.380 -7.539 33.009 1.00 33.94 N ATOM 633 CZ ARG A 82 -4.126 -7.033 33.989 1.00 36.91 C ATOM 634 NH1 ARG A 82 -3.604 -6.165 34.851 1.00 35.56 N ATOM 635 NH2 ARG A 82 -5.394 -7.408 34.121 1.00 37.76 N ATOM 636 N ALA A 83 -3.648 -7.784 27.572 1.00 20.99 N ATOM 637 CA ALA A 83 -4.574 -7.286 26.567 1.00 20.26 C ATOM 638 C ALA A 83 -5.132 -5.945 27.033 1.00 19.77 C ATOM 639 O ALA A 83 -5.482 -5.779 28.208 1.00 19.21 O ATOM 640 CB ALA A 83 -5.706 -8.285 26.354 1.00 20.10 C ATOM 641 N ALA A 84 -5.192 -4.991 26.109 1.00 17.99 N ATOM 642 CA ALA A 84 -5.691 -3.649 26.394 1.00 18.39 C ATOM 643 C ALA A 84 -7.057 -3.707 27.066 1.00 17.21 C ATOM 644 O ALA A 84 -7.349 -2.922 27.963 1.00 16.24 O ATOM 645 CB ALA A 84 -5.780 -2.846 25.098 1.00 16.84 C ATOM 646 N GLY A 85 -7.882 -4.650 26.624 1.00 16.98 N ATOM 647 CA GLY A 85 -9.216 -4.809 27.173 1.00 18.62 C ATOM 648 C GLY A 85 -9.296 -5.225 28.632 1.00 18.48 C ATOM 649 O GLY A 85 -10.362 -5.129 29.235 1.00 21.64 O ATOM 650 N GLU A 86 -8.193 -5.691 29.211 1.00 19.76 N ATOM 651 CA GLU A 86 -8.214 -6.093 30.616 1.00 22.18 C ATOM 652 C GLU A 86 -7.733 -4.955 31.518 1.00 21.30 C ATOM 653 O GLU A 86 -7.916 -4.992 32.735 1.00 20.80 O ATOM 654 CB GLU A 86 -7.325 -7.316 30.840 1.00 23.70 C ATOM 655 CG GLU A 86 -7.534 -8.430 29.838 1.00 28.68 C ATOM 656 CD GLU A 86 -6.689 -9.647 30.141 1.00 33.60 C ATOM 657 OE1 GLU A 86 -5.564 -9.477 30.659 1.00 35.84 O ATOM 658 OE2 GLU A 86 -7.142 -10.776 29.850 1.00 37.23 O ATOM 659 N LEU A 87 -7.130 -3.939 30.913 1.00 20.88 N ATOM 660 CA LEU A 87 -6.594 -2.807 31.666 1.00 22.00 C ATOM 661 C LEU A 87 -7.670 -1.849 32.177 1.00 21.77 C ATOM 662 O LEU A 87 -8.691 -1.620 31.521 1.00 21.56 O ATOM 663 CB LEU A 87 -5.564 -2.061 30.810 1.00 19.67 C ATOM 664 CG LEU A 87 -4.498 -3.002 30.227 1.00 20.54 C ATOM 665 CD1 LEU A 87 -3.518 -2.229 29.365 1.00 21.16 C ATOM 666 CD2 LEU A 87 -3.769 -3.708 31.356 1.00 19.50 C ATOM 667 N ARG A 88 -7.429 -1.302 33.364 1.00 21.68 N ATOM 668 CA ARG A 88 -8.367 -0.387 34.003 1.00 20.83 C ATOM 669 C ARG A 88 -7.647 0.843 34.543 1.00 20.25 C ATOM 670 O ARG A 88 -6.421 0.860 34.653 1.00 19.39 O ATOM 671 CB ARG A 88 -9.077 -1.099 35.163 1.00 21.67 C ATOM 672 CG ARG A 88 -9.809 -2.397 34.779 1.00 20.54 C ATOM 673 CD ARG A 88 -11.141 -2.114 34.081 1.00 21.63 C ATOM 674 NE ARG A 88 -11.887 -3.339 33.799 1.00 23.92 N ATOM 675 CZ ARG A 88 -11.719 -4.098 32.719 1.00 23.95 C ATOM 676 NH1 ARG A 88 -10.830 -3.767 31.791 1.00 23.45 N ATOM 677 NH2 ARG A 88 -12.439 -5.200 32.571 1.00 23.84 N ATOM 678 N LYS A 89 -8.421 1.871 34.876 1.00 20.16 N ATOM 679 CA LYS A 89 -7.875 3.093 35.440 1.00 19.87 C ATOM 680 C LYS A 89 -6.960 2.703 36.602 1.00 19.22 C ATOM 681 O LYS A 89 -7.314 1.852 37.426 1.00 17.59 O ATOM 682 CB LYS A 89 -9.012 3.977 35.953 1.00 20.88 C ATOM 683 CG LYS A 89 -8.565 5.287 36.603 1.00 21.99 C ATOM 684 CD LYS A 89 -9.768 6.040 37.180 1.00 25.18 C ATOM 685 CE LYS A 89 -10.850 6.266 36.128 1.00 26.96 C ATOM 686 NZ LYS A 89 -12.127 6.789 36.715 1.00 29.50 N ATOM 687 N GLY A 90 -5.782 3.314 36.663 1.00 17.85 N ATOM 688 CA GLY A 90 -4.857 2.996 37.735 1.00 19.41 C ATOM 689 C GLY A 90 -3.718 2.088 37.297 1.00 19.29 C ATOM 690 O GLY A 90 -2.614 2.185 37.832 1.00 19.06 O ATOM 691 N ASP A 91 -3.973 1.197 36.340 1.00 19.42 N ATOM 692 CA ASP A 91 -2.920 0.308 35.852 1.00 20.45 C ATOM 693 C ASP A 91 -1.862 1.159 35.154 1.00 20.66 C ATOM 694 O ASP A 91 -2.193 2.132 34.470 1.00 19.98 O ATOM 695 CB ASP A 91 -3.476 -0.723 34.859 1.00 21.12 C ATOM 696 CG ASP A 91 -4.354 -1.773 35.525 1.00 22.21 C ATOM 697 OD1 ASP A 91 -4.135 -2.074 36.718 1.00 21.75 O ATOM 698 OD2 ASP A 91 -5.256 -2.309 34.847 1.00 23.87 O ATOM 699 N ARG A 92 -0.592 0.806 35.330 1.00 20.73 N ATOM 700 CA ARG A 92 0.486 1.567 34.698 1.00 19.51 C ATOM 701 C ARG A 92 1.047 0.860 33.475 1.00 18.73 C ATOM 702 O ARG A 92 1.322 -0.342 33.508 1.00 17.40 O ATOM 703 CB ARG A 92 1.609 1.831 35.697 1.00 20.94 C ATOM 704 CG ARG A 92 1.189 2.662 36.898 1.00 23.34 C ATOM 705 CD ARG A 92 2.394 2.959 37.769 1.00 24.90 C ATOM 706 NE ARG A 92 3.015 1.730 38.256 1.00 24.19 N ATOM 707 CZ ARG A 92 4.298 1.625 38.576 1.00 25.62 C ATOM 708 NH1 ARG A 92 5.096 2.676 38.457 1.00 28.22 N ATOM 709 NH2 ARG A 92 4.784 0.474 39.014 1.00 25.74 N ATOM 710 N VAL A 93 1.207 1.613 32.392 1.00 16.69 N ATOM 711 CA VAL A 93 1.729 1.068 31.148 1.00 16.83 C ATOM 712 C VAL A 93 3.120 1.626 30.857 1.00 18.72 C ATOM 713 O VAL A 93 3.470 2.722 31.304 1.00 20.66 O ATOM 714 CB VAL A 93 0.822 1.423 29.953 1.00 15.69 C ATOM 715 CG1 VAL A 93 -0.592 0.890 30.186 1.00 16.82 C ATOM 716 CG2 VAL A 93 0.800 2.945 29.769 1.00 12.43 C ATOM 717 N ALA A 94 3.902 0.878 30.091 1.00 18.14 N ATOM 718 CA ALA A 94 5.246 1.315 29.739 1.00 19.15 C ATOM 719 C ALA A 94 5.175 2.392 28.647 1.00 18.57 C ATOM 720 O ALA A 94 4.544 2.189 27.605 1.00 16.49 O ATOM 721 CB ALA A 94 6.068 0.125 29.262 1.00 17.43 C ATOM 722 N VAL A 95 5.800 3.541 28.900 1.00 19.00 N ATOM 723 CA VAL A 95 5.811 4.636 27.933 1.00 21.41 C ATOM 724 C VAL A 95 7.217 5.199 27.709 1.00 21.94 C ATOM 725 O VAL A 95 8.011 5.321 28.642 1.00 23.81 O ATOM 726 CB VAL A 95 4.880 5.809 28.362 1.00 20.47 C ATOM 727 CG1 VAL A 95 3.507 5.278 28.770 1.00 19.07 C ATOM 728 CG2 VAL A 95 5.518 6.603 29.491 1.00 22.74 C ATOM 729 N ARG A 96 7.518 5.539 26.460 1.00 22.00 N ATOM 730 CA ARG A 96 8.821 6.097 26.098 1.00 21.33 C ATOM 731 C ARG A 96 8.740 7.616 26.118 1.00 21.29 C ATOM 732 O ARG A 96 7.900 8.196 25.438 1.00 19.63 O ATOM 733 CB ARG A 96 9.216 5.634 24.692 1.00 20.57 C ATOM 734 CG ARG A 96 10.437 6.338 24.123 1.00 20.68 C ATOM 735 CD ARG A 96 10.695 5.933 22.675 1.00 17.96 C ATOM 736 NE ARG A 96 11.924 6.539 22.169 1.00 21.65 N ATOM 737 CZ ARG A 96 12.030 7.805 21.772 1.00 22.71 C ATOM 738 NH1 ARG A 96 10.977 8.614 21.805 1.00 20.71 N ATOM 739 NH2 ARG A 96 13.202 8.269 21.365 1.00 23.86 N ATOM 740 N ASP A 97 9.608 8.268 26.885 1.00 23.76 N ATOM 741 CA ASP A 97 9.581 9.728 26.938 1.00 26.65 C ATOM 742 C ASP A 97 9.907 10.304 25.567 1.00 27.92 C ATOM 743 O ASP A 97 10.951 9.999 24.990 1.00 26.41 O ATOM 744 CB ASP A 97 10.589 10.268 27.947 1.00 28.95 C ATOM 745 CG ASP A 97 10.356 11.732 28.253 1.00 32.40 C ATOM 746 OD1 ASP A 97 9.528 12.024 29.142 1.00 35.15 O ATOM 747 OD2 ASP A 97 10.977 12.590 27.593 1.00 31.90 O ATOM 748 N VAL A 98 9.015 11.145 25.054 1.00 31.12 N ATOM 749 CA VAL A 98 9.198 11.748 23.741 1.00 34.18 C ATOM 750 C VAL A 98 10.404 12.682 23.691 1.00 36.57 C ATOM 751 O VAL A 98 10.957 12.936 22.619 1.00 39.01 O ATOM 752 CB VAL A 98 7.942 12.540 23.314 1.00 35.64 C ATOM 753 CG1 VAL A 98 7.866 13.864 24.073 1.00 36.23 C ATOM 754 CG2 VAL A 98 7.962 12.774 21.817 1.00 37.81 C ATOM 755 N GLU A 99 10.814 13.181 24.852 1.00 36.79 N ATOM 756 CA GLU A 99 11.939 14.105 24.937 1.00 37.25 C ATOM 757 C GLU A 99 13.289 13.416 25.145 1.00 35.42 C ATOM 758 O GLU A 99 14.257 13.719 24.445 1.00 35.95 O ATOM 759 CB GLU A 99 11.681 15.122 26.064 1.00 38.52 C ATOM 760 CG GLU A 99 12.797 16.144 26.314 1.00 40.68 C ATOM 761 CD GLU A 99 13.092 17.031 25.111 1.00 40.32 C ATOM 762 OE1 GLU A 99 13.579 16.512 24.087 1.00 42.00 O ATOM 763 OE2 GLU A 99 12.840 18.250 25.188 1.00 39.81 O ATOM 764 N THR A 100 13.347 12.476 26.085 1.00 33.45 N ATOM 765 CA THR A 100 14.595 11.783 26.403 1.00 30.76 C ATOM 766 C THR A 100 14.731 10.339 25.926 1.00 29.54 C ATOM 767 O THR A 100 15.821 9.771 25.997 1.00 27.64 O ATOM 768 CB THR A 100 14.833 11.769 27.914 1.00 32.08 C ATOM 769 OG1 THR A 100 13.860 10.918 28.533 1.00 31.07 O ATOM 770 CG2 THR A 100 14.704 13.172 28.488 1.00 31.32 C ATOM 771 N GLY A 101 13.639 9.738 25.461 1.00 27.89 N ATOM 772 CA GLY A 101 13.708 8.359 25.000 1.00 26.56 C ATOM 773 C GLY A 101 13.764 7.360 26.145 1.00 26.87 C ATOM 774 O GLY A 101 13.904 6.151 25.937 1.00 23.77 O ATOM 775 N GLU A 102 13.646 7.872 27.366 1.00 26.91 N ATOM 776 CA GLU A 102 13.682 7.040 28.562 1.00 28.70 C ATOM 777 C GLU A 102 12.376 6.283 28.766 1.00 27.88 C ATOM 778 O GLU A 102 11.294 6.790 28.466 1.00 28.73 O ATOM 779 CB GLU A 102 13.948 7.906 29.796 1.00 30.68 C ATOM 780 CG GLU A 102 15.294 8.594 29.801 1.00 33.46 C ATOM 781 CD GLU A 102 15.443 9.538 30.975 1.00 35.00 C ATOM 782 OE1 GLU A 102 14.744 10.575 31.003 1.00 33.00 O ATOM 783 OE2 GLU A 102 16.256 9.235 31.873 1.00 36.73 O ATOM 784 N LEU A 404 12.480 5.068 29.285 1.00 28.74 N ATOM 785 CA LEU A 404 11.301 4.259 29.545 1.00 28.64 C ATOM 786 C LEU A 404 10.815 4.503 30.971 1.00 28.25 C ATOM 787 O LEU A 404 11.592 4.430 31.926 1.00 29.23 O ATOM 788 CB LEU A 404 11.632 2.775 29.363 1.00 29.83 C ATOM 789 CG LEU A 404 10.488 1.760 29.277 1.00 31.36 C ATOM 790 CD1 LEU A 404 11.076 0.367 29.187 1.00 32.23 C ATOM 791 CD2 LEU A 404 9.590 1.853 30.490 1.00 35.13 C ATOM 792 N ARG A 405 9.529 4.808 31.105 1.00 27.15 N ATOM 793 CA ARG A 405 8.914 5.025 32.407 1.00 26.06 C ATOM 794 C ARG A 405 7.540 4.358 32.378 1.00 23.54 C ATOM 795 O ARG A 405 7.130 3.798 31.361 1.00 23.33 O ATOM 796 CB ARG A 405 8.756 6.521 32.702 1.00 26.02 C ATOM 797 CG ARG A 405 7.866 7.265 31.722 1.00 30.70 C ATOM 798 CD ARG A 405 7.154 8.430 32.401 1.00 33.03 C ATOM 799 NE ARG A 405 6.335 9.198 31.467 1.00 34.59 N ATOM 800 CZ ARG A 405 6.827 9.986 30.516 1.00 34.39 C ATOM 801 NH1 ARG A 405 8.141 10.116 30.375 1.00 35.06 N ATOM 802 NH2 ARG A 405 6.009 10.638 29.699 1.00 33.95 N ATOM 803 N TYR A 406 6.827 4.414 33.492 1.00 21.06 N ATOM 804 CA TYR A 406 5.505 3.819 33.549 1.00 21.28 C ATOM 805 C TYR A 406 4.515 4.858 34.025 1.00 22.90 C ATOM 806 O TYR A 406 4.743 5.530 35.030 1.00 23.37 O ATOM 807 CB TYR A 406 5.510 2.603 34.476 1.00 20.92 C ATOM 808 CG TYR A 406 6.190 1.408 33.854 1.00 19.76 C ATOM 809 CD1 TYR A 406 5.445 0.378 33.282 1.00 22.03 C ATOM 810 CD2 TYR A 406 7.581 1.328 33.795 1.00 18.89 C ATOM 811 CE1 TYR A 406 6.068 -0.703 32.663 1.00 22.54 C ATOM 812 CE2 TYR A 406 8.218 0.254 33.179 1.00 20.01 C ATOM 813 CZ TYR A 406 7.458 -0.755 32.614 1.00 22.89 C ATOM 814 OH TYR A 406 8.086 -1.806 31.984 1.00 26.83 O ATOM 815 N SER A 407 3.419 4.995 33.287 1.00 21.32 N ATOM 816 CA SER A 407 2.395 5.973 33.621 1.00 20.89 C ATOM 817 C SER A 407 1.050 5.293 33.814 1.00 20.00 C ATOM 818 O SER A 407 0.751 4.288 33.157 1.00 16.33 O ATOM 819 CB SER A 407 2.290 7.017 32.507 1.00 21.20 C ATOM 820 OG SER A 407 3.544 7.628 32.278 1.00 22.45 O ATOM 821 N VAL A 408 0.237 5.846 34.711 1.00 19.24 N ATOM 822 CA VAL A 408 -1.070 5.283 34.989 1.00 20.08 C ATOM 823 C VAL A 408 -2.087 5.625 33.921 1.00 18.81 C ATOM 824 O VAL A 408 -2.002 6.665 33.268 1.00 17.91 O ATOM 825 CB VAL A 408 -1.631 5.762 36.357 1.00 21.61 C ATOM 826 CG1 VAL A 408 -0.571 5.622 37.415 1.00 22.19 C ATOM 827 CG2 VAL A 408 -2.123 7.200 36.264 1.00 22.81 C ATOM 828 N ILE A 409 -3.033 4.716 33.730 1.00 18.22 N ATOM 829 CA ILE A 409 -4.114 4.924 32.789 1.00 18.05 C ATOM 830 C ILE A 409 -5.087 5.808 33.558 1.00 17.79 C ATOM 831 O ILE A 409 -5.465 5.494 34.690 1.00 16.05 O ATOM 832 CB ILE A 409 -4.806 3.606 32.432 1.00 17.84 C ATOM 833 CG1 ILE A 409 -3.857 2.737 31.602 1.00 17.31 C ATOM 834 CG2 ILE A 409 -6.113 3.887 31.703 1.00 18.18 C ATOM 835 CD1 ILE A 409 -4.303 1.300 31.440 1.00 16.62 C ATOM 836 N ARG A 410 -5.459 6.925 32.950 1.00 18.91 N ATOM 837 CA ARG A 410 -6.371 7.874 33.568 1.00 21.33 C ATOM 838 C ARG A 410 -7.815 7.462 33.318 1.00 21.05 C ATOM 839 O ARG A 410 -8.682 7.607 34.184 1.00 20.21 O ATOM 840 CB ARG A 410 -6.121 9.264 32.985 1.00 22.40 C ATOM 841 CG ARG A 410 -6.715 10.406 33.787 1.00 28.41 C ATOM 842 CD ARG A 410 -6.421 11.738 33.114 1.00 30.67 C ATOM 843 NE ARG A 410 -7.268 11.949 31.944 1.00 34.39 N ATOM 844 CZ ARG A 410 -7.015 12.835 30.987 1.00 36.01 C ATOM 845 NH1 ARG A 410 -5.932 13.596 31.053 1.00 38.94 N ATOM 846 NH2 ARG A 410 -7.849 12.964 29.965 1.00 36.13 N ATOM 847 N GLU A 411 -8.073 6.941 32.127 1.00 20.64 N ATOM 848 CA GLU A 411 -9.424 6.533 31.775 1.00 21.34 C ATOM 849 C GLU A 411 -9.448 5.522 30.633 1.00 19.98 C ATOM 850 O GLU A 411 -8.586 5.543 29.751 1.00 17.31 O ATOM 851 CB GLU A 411 -10.233 7.776 31.396 1.00 23.46 C ATOM 852 CG GLU A 411 -11.544 7.509 30.681 1.00 28.29 C ATOM 853 CD GLU A 411 -12.273 8.796 30.312 1.00 31.79 C ATOM 854 OE1 GLU A 411 -11.602 9.761 29.875 1.00 32.06 O ATOM 855 OE2 GLU A 411 -13.515 8.839 30.451 1.00 34.69 O ATOM 856 N VAL A 412 -10.429 4.625 30.669 1.00 18.26 N ATOM 857 CA VAL A 412 -10.600 3.637 29.616 1.00 18.82 C ATOM 858 C VAL A 412 -11.856 4.058 28.857 1.00 21.06 C ATOM 859 O VAL A 412 -12.943 4.120 29.428 1.00 20.61 O ATOM 860 CB VAL A 412 -10.774 2.210 30.192 1.00 20.10 C ATOM 861 CG1 VAL A 412 -11.098 1.229 29.067 1.00 23.17 C ATOM 862 CG2 VAL A 412 -9.480 1.777 30.896 1.00 20.77 C ATOM 863 N LEU A 413 -11.700 4.373 27.575 1.00 20.90 N ATOM 864 CA LEU A 413 -12.827 4.817 26.766 1.00 19.81 C ATOM 865 C LEU A 413 -13.563 3.682 26.067 1.00 20.74 C ATOM 866 O LEU A 413 -12.994 2.621 25.808 1.00 20.82 O ATOM 867 CB LEU A 413 -12.361 5.832 25.719 1.00 21.96 C ATOM 868 CG LEU A 413 -11.894 7.212 26.206 1.00 23.19 C ATOM 869 CD1 LEU A 413 -12.995 7.862 27.017 1.00 23.75 C ATOM 870 CD2 LEU A 413 -10.631 7.080 27.042 1.00 21.51 C ATOM 871 N PRO A 414 -14.852 3.901 25.743 1.00 20.99 N ATOM 872 CA PRO A 414 -15.713 2.926 25.064 1.00 21.79 C ATOM 873 C PRO A 414 -15.211 2.692 23.640 1.00 22.11 C ATOM 874 O PRO A 414 -14.447 3.500 23.113 1.00 22.50 O ATOM 875 CB PRO A 414 -17.083 3.608 25.069 1.00 21.77 C ATOM 876 CG PRO A 414 -16.985 4.596 26.205 1.00 23.25 C ATOM 877 CD PRO A 414 -15.603 5.128 26.039 1.00 20.02 C ATOM 878 N THR A 415 -15.656 1.603 23.018 1.00 21.55 N ATOM 879 CA THR A 415 -15.239 1.269 21.657 1.00 20.85 C ATOM 880 C THR A 415 -15.762 2.226 20.597 1.00 21.62 C ATOM 881 O THR A 415 -16.786 2.896 20.774 1.00 21.71 O ATOM 882 CB THR A 415 -15.707 -0.145 21.231 1.00 21.90 C ATOM 883 OG1 THR A 415 -17.145 -0.193 21.210 1.00 21.14 O ATOM 884 CG2 THR A 415 -15.180 -1.202 22.185 1.00 21.85 C ATOM 885 N ARG A 416 -15.037 2.282 19.491 1.00 21.94 N ATOM 886 CA ARG A 416 -15.427 3.093 18.350 1.00 23.95 C ATOM 887 C ARG A 416 -14.919 2.344 17.129 1.00 24.77 C ATOM 888 O ARG A 416 -13.954 1.579 17.215 1.00 24.62 O ATOM 889 CB ARG A 416 -14.825 4.504 18.421 1.00 22.98 C ATOM 890 CG ARG A 416 -13.332 4.599 18.209 1.00 25.40 C ATOM 891 CD ARG A 416 -12.887 6.058 18.266 1.00 28.20 C ATOM 892 NE ARG A 416 -11.439 6.206 18.148 1.00 28.62 N ATOM 893 CZ ARG A 416 -10.767 6.187 17.001 1.00 28.24 C ATOM 894 NH1 ARG A 416 -11.411 6.032 15.854 1.00 27.21 N ATOM 895 NH2 ARG A 416 -9.446 6.309 17.006 1.00 28.22 N ATOM 896 N ARG A 417 -15.590 2.539 16.002 1.00 24.64 N ATOM 897 CA ARG A 417 -15.218 1.881 14.757 1.00 26.55 C ATOM 898 C ARG A 417 -14.091 2.606 14.034 1.00 26.04 C ATOM 899 O ARG A 417 -14.083 3.835 13.954 1.00 27.30 O ATOM 900 CB ARG A 417 -16.440 1.800 13.841 1.00 28.28 C ATOM 901 CG ARG A 417 -17.452 0.771 14.270 1.00 32.72 C ATOM 902 CD ARG A 417 -17.307 -0.469 13.422 1.00 36.82 C ATOM 903 NE ARG A 417 -17.278 -1.687 14.222 1.00 40.01 N ATOM 904 CZ ARG A 417 -17.131 -2.901 13.705 1.00 41.33 C ATOM 905 NH1 ARG A 417 -17.004 -3.045 12.392 1.00 42.98 N ATOM 906 NH2 ARG A 417 -17.100 -3.965 14.495 1.00 39.95 N ATOM 907 N ALA A 418 -13.137 1.847 13.503 1.00 25.12 N ATOM 908 CA ALA A 418 -12.028 2.453 12.776 1.00 25.20 C ATOM 909 C ALA A 418 -11.199 1.422 12.025 1.00 24.25 C ATOM 910 O ALA A 418 -11.213 0.236 12.355 1.00 23.56 O ATOM 911 CB ALA A 418 -11.130 3.227 13.742 1.00 26.15 C ATOM 912 N ARG A 419 -10.493 1.870 10.993 1.00 23.96 N ATOM 913 CA ARG A 419 -9.636 0.956 10.260 1.00 23.73 C ATOM 914 C ARG A 419 -8.552 0.582 11.264 1.00 22.43 C ATOM 915 O ARG A 419 -8.147 1.414 12.070 1.00 21.26 O ATOM 916 CB ARG A 419 -9.017 1.641 9.037 1.00 24.39 C ATOM 917 CG ARG A 419 -9.943 1.723 7.834 1.00 25.43 C ATOM 918 CD ARG A 419 -9.156 1.482 6.543 1.00 27.19 C ATOM 919 NE ARG A 419 -8.257 2.581 6.237 1.00 27.40 N ATOM 920 CZ ARG A 419 -7.103 2.459 5.590 1.00 24.96 C ATOM 921 NH1 ARG A 419 -6.677 1.274 5.167 1.00 22.86 N ATOM 922 NH2 ARG A 419 -6.373 3.538 5.370 1.00 25.08 N ATOM 923 N THR A 420 -8.104 -0.667 11.234 1.00 21.80 N ATOM 924 CA THR A 420 -7.082 -1.121 12.165 1.00 21.81 C ATOM 925 C THR A 420 -5.906 -1.749 11.438 1.00 22.41 C ATOM 926 O THR A 420 -6.054 -2.294 10.335 1.00 22.65 O ATOM 927 CB THR A 420 -7.659 -2.125 13.171 1.00 22.84 C ATOM 928 OG1 THR A 420 -8.238 -3.228 12.467 1.00 22.38 O ATOM 929 CG2 THR A 420 -8.732 -1.451 14.037 1.00 20.87 C ATOM 930 N PHE A 421 -4.737 -1.683 12.068 1.00 22.82 N ATOM 931 CA PHE A 421 -3.523 -2.199 11.453 1.00 24.08 C ATOM 932 C PHE A 421 -2.587 -2.998 12.359 1.00 24.48 C ATOM 933 O PHE A 421 -2.718 -3.014 13.588 1.00 22.13 O ATOM 934 CB PHE A 421 -2.739 -1.032 10.837 1.00 22.40 C ATOM 935 CG PHE A 421 -3.585 -0.106 10.016 1.00 23.76 C ATOM 936 CD1 PHE A 421 -4.406 0.839 10.630 1.00 22.46 C ATOM 937 CD2 PHE A 421 -3.607 -0.214 8.626 1.00 21.77 C ATOM 938 CE1 PHE A 421 -5.241 1.661 9.875 1.00 21.30 C ATOM 939 CE2 PHE A 421 -4.435 0.600 7.862 1.00 23.68 C ATOM 940 CZ PHE A 421 -5.257 1.542 8.486 1.00 23.74 C ATOM 941 N ASP A 422 -1.628 -3.655 11.720 1.00 25.19 N ATOM 942 CA ASP A 422 -0.634 -4.446 12.421 1.00 25.74 C ATOM 943 C ASP A 422 0.645 -4.305 11.610 1.00 25.19 C ATOM 944 O ASP A 422 0.596 -4.064 10.404 1.00 23.83 O ATOM 945 CB ASP A 422 -1.073 -5.910 12.481 1.00 28.93 C ATOM 946 CG ASP A 422 -0.488 -6.648 13.675 1.00 32.06 C ATOM 947 OD1 ASP A 422 -0.735 -6.206 14.823 1.00 34.32 O ATOM 948 OD2 ASP A 422 0.208 -7.669 13.464 1.00 30.70 O ATOM 949 N LEU A 423 1.785 -4.428 12.275 1.00 23.93 N ATOM 950 CA LEU A 423 3.073 -4.327 11.603 1.00 24.81 C ATOM 951 C LEU A 423 3.962 -5.439 12.121 1.00 25.32 C ATOM 952 O LEU A 423 3.779 -5.907 13.241 1.00 26.92 O ATOM 953 CB LEU A 423 3.741 -2.986 11.910 1.00 23.93 C ATOM 954 CG LEU A 423 3.075 -1.691 11.457 1.00 24.84 C ATOM 955 CD1 LEU A 423 3.904 -0.516 11.938 1.00 23.24 C ATOM 956 CD2 LEU A 423 2.958 -1.665 9.948 1.00 23.18 C ATOM 957 N GLU A 424 4.911 -5.882 11.309 1.00 24.18 N ATOM 958 CA GLU A 424 5.831 -6.908 11.780 1.00 23.04 C ATOM 959 C GLU A 424 7.172 -6.220 12.007 1.00 21.87 C ATOM 960 O GLU A 424 7.802 -5.741 11.062 1.00 20.95 O ATOM 961 CB GLU A 424 5.997 -8.032 10.756 1.00 24.69 C ATOM 962 CG GLU A 424 6.876 -9.167 11.263 1.00 25.62 C ATOM 963 CD GLU A 424 7.150 -10.211 10.207 1.00 28.36 C ATOM 964 OE1 GLU A 424 6.198 -10.599 9.496 1.00 29.36 O ATOM 965 OE2 GLU A 424 8.318 -10.648 10.096 1.00 30.15 O ATOM 966 N VAL A 425 7.590 -6.150 13.265 1.00 20.24 N ATOM 967 CA VAL A 425 8.856 -5.518 13.604 1.00 19.96 C ATOM 968 C VAL A 425 9.894 -6.608 13.762 1.00 18.96 C ATOM 969 O VAL A 425 9.725 -7.541 14.545 1.00 16.66 O ATOM 970 CB VAL A 425 8.753 -4.711 14.905 1.00 19.74 C ATOM 971 CG1 VAL A 425 10.111 -4.134 15.268 1.00 17.40 C ATOM 972 CG2 VAL A 425 7.743 -3.600 14.738 1.00 19.65 C ATOM 973 N GLU A 426 10.973 -6.476 13.009 1.00 20.84 N ATOM 974 CA GLU A 426 12.041 -7.460 13.012 1.00 20.21 C ATOM 975 C GLU A 426 12.570 -7.862 14.381 1.00 20.58 C ATOM 976 O GLU A 426 12.881 -7.013 15.222 1.00 17.80 O ATOM 977 CB GLU A 426 13.192 -6.956 12.151 1.00 22.79 C ATOM 978 CG GLU A 426 14.365 -7.902 12.083 1.00 26.38 C ATOM 979 CD GLU A 426 15.360 -7.481 11.033 1.00 27.86 C ATOM 980 OE1 GLU A 426 15.011 -7.542 9.837 1.00 28.79 O ATOM 981 OE2 GLU A 426 16.481 -7.078 11.402 1.00 31.49 O ATOM 982 N GLU A 427 12.657 -9.174 14.586 1.00 20.11 N ATOM 983 CA GLU A 427 13.176 -9.769 15.814 1.00 21.34 C ATOM 984 C GLU A 427 12.413 -9.573 17.135 1.00 20.77 C ATOM 985 O GLU A 427 12.075 -10.550 17.807 1.00 20.96 O ATOM 986 CB GLU A 427 14.634 -9.327 16.033 1.00 20.59 C ATOM 987 CG GLU A 427 15.251 -9.946 17.289 1.00 25.08 C ATOM 988 CD GLU A 427 16.589 -9.353 17.697 1.00 26.91 C ATOM 989 OE1 GLU A 427 16.929 -8.228 17.262 1.00 28.03 O ATOM 990 OE2 GLU A 427 17.297 -10.017 18.487 1.00 28.12 O ATOM 991 N LEU A 428 12.153 -8.321 17.510 1.00 19.60 N ATOM 992 CA LEU A 428 11.502 -8.016 18.787 1.00 19.38 C ATOM 993 C LEU A 428 9.982 -7.971 18.778 1.00 18.39 C ATOM 994 O LEU A 428 9.348 -8.070 19.826 1.00 18.82 O ATOM 995 CB LEU A 428 12.063 -6.702 19.338 1.00 18.33 C ATOM 996 CG LEU A 428 13.581 -6.730 19.549 1.00 18.10 C ATOM 997 CD1 LEU A 428 14.073 -5.384 20.063 1.00 19.64 C ATOM 998 CD2 LEU A 428 13.931 -7.836 20.529 1.00 20.24 C ATOM 999 N HIS A 429 9.411 -7.810 17.594 1.00 19.95 N ATOM 1000 CA HIS A 429 7.966 -7.784 17.417 1.00 20.56 C ATOM 1001 C HIS A 429 7.183 -6.917 18.404 1.00 19.17 C ATOM 1002 O HIS A 429 6.135 -7.328 18.921 1.00 18.50 O ATOM 1003 CB HIS A 429 7.454 -9.223 17.432 1.00 24.01 C ATOM 1004 CG HIS A 429 8.146 -10.103 16.438 1.00 28.33 C ATOM 1005 ND1 HIS A 429 7.915 -10.017 15.082 1.00 29.68 N ATOM 1006 CD2 HIS A 429 9.119 -11.032 16.596 1.00 29.62 C ATOM 1007 CE1 HIS A 429 8.717 -10.854 14.447 1.00 30.87 C ATOM 1008 NE2 HIS A 429 9.458 -11.481 15.342 1.00 30.29 N ATOM 1009 N THR A 430 7.690 -5.707 18.630 1.00 17.30 N ATOM 1010 CA THR A 430 7.063 -4.733 19.514 1.00 17.04 C ATOM 1011 C THR A 430 7.402 -3.352 18.967 1.00 16.72 C ATOM 1012 O THR A 430 8.312 -3.211 18.147 1.00 17.27 O ATOM 1013 CB THR A 430 7.596 -4.835 20.960 1.00 17.25 C ATOM 1014 OG1 THR A 430 9.019 -4.666 20.960 1.00 18.00 O ATOM 1015 CG2 THR A 430 7.237 -6.181 21.567 1.00 16.54 C ATOM 1016 N LEU A 431 6.675 -2.338 19.422 1.00 15.68 N ATOM 1017 CA LEU A 431 6.901 -0.974 18.969 1.00 16.49 C ATOM 1018 C LEU A 431 6.271 0.028 19.923 1.00 16.30 C ATOM 1019 O LEU A 431 5.464 -0.326 20.789 1.00 16.22 O ATOM 1020 CB LEU A 431 6.304 -0.758 17.571 1.00 17.44 C ATOM 1021 CG LEU A 431 4.772 -0.730 17.484 1.00 20.68 C ATOM 1022 CD1 LEU A 431 4.343 -0.512 16.037 1.00 24.47 C ATOM 1023 CD2 LEU A 431 4.206 -2.035 18.012 1.00 23.56 C ATOM 1024 N VAL A 432 6.638 1.290 19.744 1.00 15.85 N ATOM 1025 CA VAL A 432 6.112 2.366 20.560 1.00 16.77 C ATOM 1026 C VAL A 432 5.029 3.075 19.751 1.00 17.00 C ATOM 1027 O VAL A 432 5.295 3.621 18.670 1.00 17.01 O ATOM 1028 CB VAL A 432 7.238 3.344 20.951 1.00 16.71 C ATOM 1029 CG1 VAL A 432 6.650 4.628 21.541 1.00 17.06 C ATOM 1030 CG2 VAL A 432 8.176 2.663 21.958 1.00 16.02 C ATOM 1031 N ALA A 433 3.802 3.032 20.266 1.00 14.98 N ATOM 1032 CA ALA A 433 2.645 3.640 19.613 1.00 16.47 C ATOM 1033 C ALA A 433 2.045 4.671 20.550 1.00 15.55 C ATOM 1034 O ALA A 433 1.679 4.342 21.672 1.00 17.46 O ATOM 1035 CB ALA A 433 1.614 2.564 19.285 1.00 14.61 C ATOM 1036 N GLU A 434 1.928 5.910 20.082 1.00 17.75 N ATOM 1037 CA GLU A 434 1.415 6.998 20.905 1.00 16.51 C ATOM 1038 C GLU A 434 2.227 7.019 22.193 1.00 17.32 C ATOM 1039 O GLU A 434 1.705 7.334 23.274 1.00 18.05 O ATOM 1040 CB GLU A 434 -0.078 6.810 21.229 1.00 18.46 C ATOM 1041 CG GLU A 434 -1.027 7.035 20.063 1.00 16.61 C ATOM 1042 CD GLU A 434 -0.888 8.414 19.431 1.00 19.37 C ATOM 1043 OE1 GLU A 434 -0.628 9.392 20.162 1.00 20.97 O ATOM 1044 OE2 GLU A 434 -1.062 8.522 18.201 1.00 17.32 O ATOM 1045 N GLY A 435 3.503 6.648 22.070 1.00 16.06 N ATOM 1046 CA GLY A 435 4.404 6.638 23.214 1.00 16.71 C ATOM 1047 C GLY A 435 4.332 5.414 24.110 1.00 16.61 C ATOM 1048 O GLY A 435 5.147 5.249 25.019 1.00 16.71 O ATOM 1049 N VAL A 436 3.363 4.545 23.850 1.00 16.53 N ATOM 1050 CA VAL A 436 3.171 3.345 24.649 1.00 15.54 C ATOM 1051 C VAL A 436 3.793 2.103 24.005 1.00 17.17 C ATOM 1052 O VAL A 436 3.685 1.901 22.787 1.00 15.60 O ATOM 1053 CB VAL A 436 1.657 3.087 24.866 1.00 17.30 C ATOM 1054 CG1 VAL A 436 1.451 1.877 25.754 1.00 12.81 C ATOM 1055 CG2 VAL A 436 1.001 4.324 25.465 1.00 12.44 C ATOM 1056 N VAL A 437 4.444 1.281 24.825 1.00 17.24 N ATOM 1057 CA VAL A 437 5.058 0.043 24.344 1.00 17.37 C ATOM 1058 C VAL A 437 3.962 -1.016 24.165 1.00 17.64 C ATOM 1059 O VAL A 437 3.286 -1.412 25.128 1.00 17.07 O ATOM 1060 CB VAL A 437 6.131 -0.485 25.332 1.00 17.40 C ATOM 1061 CG1 VAL A 437 6.704 -1.805 24.825 1.00 17.28 C ATOM 1062 CG2 VAL A 437 7.247 0.549 25.505 1.00 18.42 C ATOM 1063 N VAL A 438 3.797 -1.465 22.925 1.00 18.11 N ATOM 1064 CA VAL A 438 2.784 -2.451 22.571 1.00 19.07 C ATOM 1065 C VAL A 438 3.369 -3.550 21.686 1.00 21.61 C ATOM 1066 O VAL A 438 4.485 -3.430 21.182 1.00 20.92 O ATOM 1067 CB VAL A 438 1.609 -1.780 21.796 1.00 19.57 C ATOM 1068 CG1 VAL A 438 1.017 -0.633 22.621 1.00 19.65 C ATOM 1069 CG2 VAL A 438 2.097 -1.252 20.450 1.00 16.22 C ATOM 1070 N HIS A 439 2.605 -4.619 21.500 1.00 23.72 N ATOM 1071 CA HIS A 439 3.031 -5.721 20.651 1.00 26.73 C ATOM 1072 C HIS A 439 2.799 -5.270 19.204 1.00 27.00 C ATOM 1073 O HIS A 439 1.897 -4.469 18.947 1.00 25.39 O ATOM 1074 CB HIS A 439 2.209 -6.968 20.976 1.00 30.61 C ATOM 1075 CG HIS A 439 2.692 -8.205 20.287 1.00 35.54 C ATOM 1076 ND1 HIS A 439 2.273 -8.568 19.024 1.00 35.70 N ATOM 1077 CD2 HIS A 439 3.584 -9.148 20.674 1.00 36.20 C ATOM 1078 CE1 HIS A 439 2.884 -9.683 18.664 1.00 36.17 C ATOM 1079 NE2 HIS A 439 3.686 -10.055 19.646 1.00 37.45 N ATOM 1080 N ASN A 440 3.599 -5.754 18.253 1.00 27.76 N ATOM 1081 CA ASN A 440 3.399 -5.303 16.878 1.00 27.67 C ATOM 1082 C ASN A 440 2.142 -5.895 16.250 1.00 28.77 C ATOM 1083 O ASN A 440 1.793 -7.046 16.583 1.00 29.23 O ATOM 1084 CB ASN A 440 4.635 -5.589 16.003 1.00 26.50 C ATOM 1085 CG ASN A 440 4.906 -7.075 15.789 1.00 25.72 C ATOM 1086 OD1 ASN A 440 5.872 -7.432 15.118 1.00 24.77 O ATOM 1087 ND2 ASN A 440 4.066 -7.938 16.350 1.00 26.72 N ATOM 1088 OXT ASN A 440 1.522 -5.184 15.431 1.00 30.88 O TER 1089 ASN A 440 HETATM 1090 O HOH A 441 -11.165 1.637 34.386 1.00 16.21 O HETATM 1091 O HOH A 442 8.141 3.435 17.648 1.00 14.03 O HETATM 1092 O HOH A 443 13.898 4.773 9.097 1.00 23.46 O HETATM 1093 O HOH A 444 -8.917 -1.193 6.496 1.00 23.18 O HETATM 1094 O HOH A 445 -13.763 0.239 26.766 1.00 19.14 O HETATM 1095 O HOH A 446 1.659 7.961 36.061 1.00 22.80 O HETATM 1096 O HOH A 447 10.218 -8.803 22.471 1.00 32.94 O HETATM 1097 O HOH A 448 -11.888 4.095 33.105 1.00 23.22 O HETATM 1098 O HOH A 449 -17.992 0.472 18.461 1.00 19.29 O HETATM 1099 O HOH A 450 -19.125 2.405 22.019 1.00 19.17 O HETATM 1100 O HOH A 451 5.104 6.650 19.215 1.00 20.05 O HETATM 1101 O HOH A 452 -9.582 -1.836 28.809 1.00 22.80 O HETATM 1102 O HOH A 453 -4.000 -0.871 3.163 1.00 24.67 O HETATM 1103 O HOH A 454 10.887 7.301 9.052 1.00 22.51 O HETATM 1104 O HOH A 455 4.508 -10.612 15.505 1.00 25.69 O HETATM 1105 O HOH A 456 -4.365 9.292 20.043 1.00 32.98 O HETATM 1106 O HOH A 457 -1.006 -7.819 20.100 1.00 27.81 O HETATM 1107 O HOH A 458 -10.431 10.971 27.772 1.00 26.08 O HETATM 1108 O HOH A 459 -0.990 0.301 39.508 1.00 25.95 O HETATM 1109 O HOH A 460 -2.363 3.546 40.193 1.00 23.66 O HETATM 1110 O HOH A 461 16.215 4.038 26.284 1.00 24.08 O HETATM 1111 O HOH A 462 7.284 0.918 39.741 1.00 34.38 O HETATM 1112 O HOH A 463 5.347 9.682 25.244 1.00 27.47 O HETATM 1113 O HOH A 464 -1.513 -2.546 36.206 1.00 26.90 O HETATM 1114 O HOH A 465 5.523 -4.356 38.967 1.00 21.74 O HETATM 1115 O HOH A 466 8.356 8.377 22.598 1.00 22.76 O HETATM 1116 O HOH A 467 -17.836 4.101 15.789 1.00 29.22 O HETATM 1117 O HOH A 468 -12.582 0.173 6.340 1.00 39.78 O HETATM 1118 O HOH A 469 4.580 -10.811 30.662 1.00 27.95 O HETATM 1119 O HOH A 470 -2.804 -6.970 4.954 1.00 38.65 O HETATM 1120 O HOH A 471 8.779 13.067 15.581 1.00 29.10 O HETATM 1121 O HOH A 472 0.262 10.874 28.311 1.00 25.63 O HETATM 1122 O HOH A 473 16.473 8.263 18.110 1.00 25.91 O HETATM 1123 O HOH A 474 3.098 9.423 30.315 1.00 28.17 O HETATM 1124 O HOH A 475 -1.498 -4.471 34.564 1.00 37.03 O HETATM 1125 O HOH A 476 3.281 -6.788 4.202 1.00 29.19 O HETATM 1126 O HOH A 477 5.561 5.199 37.553 1.00 43.88 O HETATM 1127 O HOH A 478 -9.284 -6.955 33.945 1.00 32.46 O HETATM 1128 O HOH A 479 -6.403 6.916 16.886 1.00 34.41 O HETATM 1129 O HOH A 480 15.412 6.994 20.375 1.00 27.07 O HETATM 1130 O HOH A 481 1.892 9.471 8.644 1.00 31.86 O HETATM 1131 O HOH A 482 3.284 -9.487 12.979 1.00 39.57 O HETATM 1132 O HOH A 483 -2.090 10.623 22.403 1.00 22.82 O HETATM 1133 O HOH A 484 16.446 -6.060 8.066 1.00 33.10 O HETATM 1134 O HOH A 485 -14.145 6.096 14.934 1.00 27.07 O HETATM 1135 O HOH A 486 6.958 -4.683 33.133 1.00 32.59 O HETATM 1136 O HOH A 487 0.166 -2.544 2.378 1.00 38.35 O HETATM 1137 O HOH A 488 17.652 -1.319 8.850 1.00 33.78 O HETATM 1138 O HOH A 489 -14.603 2.267 31.116 1.00 33.99 O HETATM 1139 O HOH A 490 19.358 -8.558 19.667 1.00 37.87 O HETATM 1140 O HOH A 491 -6.018 -4.778 34.866 1.00 29.19 O HETATM 1141 O HOH A 492 -3.762 5.036 18.971 1.00 25.61 O HETATM 1142 O HOH A 493 19.202 0.074 24.378 1.00 20.69 O HETATM 1143 O HOH A 494 11.605 -11.406 12.996 1.00 34.27 O HETATM 1144 O HOH A 495 -10.811 4.708 10.881 1.00 26.38 O HETATM 1145 O HOH A 496 7.855 14.113 30.670 1.00 43.32 O HETATM 1146 O HOH A 497 -1.816 6.848 2.862 1.00 44.21 O HETATM 1147 O HOH A 498 1.728 10.435 19.860 1.00 28.61 O HETATM 1148 O HOH A 499 -15.278 5.943 22.365 1.00 23.34 O HETATM 1149 O HOH A 500 16.079 12.448 22.947 1.00 49.65 O HETATM 1150 O HOH A 501 -17.570 5.803 21.028 1.00 35.25 O HETATM 1151 O HOH A 502 -11.999 -5.384 17.955 1.00 22.43 O HETATM 1152 O HOH A 503 7.973 5.736 36.069 1.00 24.60 O HETATM 1153 O HOH A 504 -20.126 4.413 23.487 1.00 23.36 O HETATM 1154 O HOH A 505 -21.020 3.624 19.909 1.00 24.37 O HETATM 1155 O HOH A 506 -4.023 7.654 18.255 1.00 32.30 O HETATM 1156 O HOH A 507 -12.069 -2.034 28.034 1.00 22.36 O HETATM 1157 O HOH A 508 -3.970 -10.322 28.700 1.00 33.82 O HETATM 1158 O HOH A 509 3.849 -11.398 11.162 1.00 29.32 O HETATM 1159 O HOH A 510 -18.884 4.315 18.662 1.00 30.70 O HETATM 1160 O HOH A 511 21.083 -1.445 25.642 1.00 24.66 O HETATM 1161 O HOH A 512 -5.866 15.390 28.686 1.00 33.14 O HETATM 1162 O HOH A 513 -1.058 -10.878 19.782 1.00 40.60 O HETATM 1163 O HOH A 514 15.960 10.846 18.284 1.00 45.68 O HETATM 1164 O HOH A 515 -19.419 6.621 22.417 1.00 34.04 O HETATM 1165 O HOH A 516 8.374 15.750 15.395 1.00 38.65 O HETATM 1166 O HOH A 517 -14.944 6.081 29.880 1.00 27.43 O HETATM 1167 O HOH A 518 6.969 -5.999 35.367 1.00 37.86 O HETATM 1168 O HOH A 519 -9.471 -10.614 13.838 1.00 35.23 O HETATM 1169 O HOH A 520 -4.769 -11.013 23.258 1.00 30.20 O HETATM 1170 O HOH A 521 -16.931 6.463 15.516 1.00 40.56 O HETATM 1171 O HOH A 522 4.163 9.211 6.851 1.00 31.80 O HETATM 1172 O HOH A 523 0.692 11.959 22.338 1.00 34.91 O HETATM 1173 O HOH A 524 12.529 -13.346 17.002 1.00 40.73 O HETATM 1174 O HOH A 525 10.380 11.292 20.402 1.00 39.65 O HETATM 1175 O HOH A 526 6.481 9.115 20.882 1.00 43.57 O HETATM 1176 O HOH A 527 -11.394 -6.764 10.479 1.00 35.16 O HETATM 1177 O HOH A 528 -2.381 -3.130 2.424 1.00 32.72 O HETATM 1178 O HOH A 529 -9.089 -9.325 24.823 1.00 44.53 O HETATM 1179 O HOH A 530 -13.118 0.463 32.905 1.00 29.22 O HETATM 1180 O HOH A 531 13.146 -9.316 9.562 1.00 48.73 O HETATM 1181 O HOH A 532 -7.102 -5.242 37.677 1.00 44.37 O HETATM 1182 O HOH A 533 -15.148 0.534 29.109 1.00 38.50 O HETATM 1183 O HOH A 534 -8.598 5.838 5.559 1.00 48.38 O HETATM 1184 O HOH A 535 18.085 -4.052 8.714 1.00 38.89 O HETATM 1185 O HOH A 536 7.641 3.582 37.605 1.00 41.35 O HETATM 1186 O HOH A 537 18.559 -5.616 10.899 1.00 36.70 O HETATM 1187 O HOH A 538 -4.407 9.240 7.443 1.00 33.46 O HETATM 1188 O HOH A 539 -3.604 -10.111 19.837 1.00 42.91 O HETATM 1189 O HOH A 540 11.524 10.585 7.303 1.00 40.70 O HETATM 1190 O HOH A 541 16.935 0.899 26.556 1.00 46.08 O HETATM 1191 O HOH A 542 11.034 14.251 9.393 1.00 40.36 O HETATM 1192 O HOH A 543 14.037 4.915 22.953 1.00 41.30 O HETATM 1193 O HOH A 544 -15.493 4.048 11.594 1.00 42.54 O HETATM 1194 O HOH A 545 11.296 6.667 6.584 1.00 42.43 O HETATM 1195 O HOH A 546 -15.283 -6.014 12.604 1.00 42.15 O HETATM 1196 O HOH A 547 18.241 -6.890 24.819 1.00 40.76 O HETATM 1197 O HOH A 548 3.401 9.468 34.583 1.00 36.67 O HETATM 1198 O HOH A 549 -0.117 -9.671 34.206 1.00 39.50 O HETATM 1199 O HOH A 550 17.911 -6.705 21.716 1.00 38.90 O HETATM 1200 O HOH A 551 -14.756 -5.446 16.333 1.00 31.91 O HETATM 1201 O HOH A 552 13.250 11.116 21.143 1.00 46.41 O MASTER 237 0 0 2 16 0 0 6 1200 1 0 11 END If you find results from this site helpful for your research, please cite one of our papers:
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