USER MOD reduce.3.24.130724 H: found=0, std=0, add=1261, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE/RNA/DNA 02-MAR-06 2G8K TITLE B. HALODURANS RNASE H CATALYTIC DOMAIN D192N MUTANT IN TITLE 2 COMPLEX WITH CA2+ AND RNA/DNA HYBRID (NON-P NICK AT THE TITLE 3 ACTIVE SITE) COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-R(*UP*CP*GP*AP*CP*A)-3'; COMPND 3 CHAIN: B; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: 5'-D(*AP*TP*GP*TP*CP*G)-3'; COMPND 7 CHAIN: C; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 0 MOLECULE: RIBONUCLEASE H; COMPND 1 CHAIN: A; COMPND 2 FRAGMENT: BH-RNASE HC; COMPND 3 SYNONYM: RNASE H; COMPND 4 EC: 3.1.26.4; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES; SOURCE 5 MOL_ID: 3; SOURCE 6 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; SOURCE 7 ORGANISM_TAXID: 86665; SOURCE 8 GENE: RNHA; SOURCE 9 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 0 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 1 EXPRESSION_SYSTEM_STRAIN: BL21 PLYSS; SOURCE 2 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 3 EXPRESSION_SYSTEM_VECTOR: PET15B KEYWDS RNASE H, RIBONUCLEASE H, RNA/DNA HYBRID, HYDROLASE/RNA/DNA KEYWDS 2 COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR M.NOWOTNY,W.YANG REVDAT 3 24-FEB-09 2G8K 1 VERSN REVDAT 2 16-MAY-06 2G8K 1 JRNL REVDAT 1 25-APR-06 2G8K 0 JRNL AUTH M.NOWOTNY,W.YANG JRNL TITL STEPWISE ANALYSES OF METAL IONS IN RNASE H JRNL TITL 2 CATALYSIS FROM SUBSTRATE DESTABILIZATION TO JRNL TITL 3 PRODUCT RELEASE. JRNL REF EMBO J. V. 25 1924 2006 JRNL REFN ISSN 0261-4189 JRNL PMID 16601679 JRNL DOI 10.1038/SJ.EMBOJ.7601076 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.65 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 : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.65 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 3.200 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 20635 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.182 REMARK 3 FREE R VALUE : 0.210 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 2042 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1106 REMARK 3 NUCLEIC ACID ATOMS : 283 REMARK 3 HETEROGEN ATOMS : 4 REMARK 3 SOLVENT ATOMS : 271 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.004 REMARK 3 BOND ANGLES (DEGREES) : 1.15 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : NULL 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 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2G8K COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-MAR-06. REMARK 100 THE RCSB ID CODE IS RCSB036823. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 14-SEP-05 REMARK 200 TEMPERATURE (KELVIN) : 95 REMARK 200 PH : 5.6 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 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : NULL 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 : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 20635 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.650 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 3.200 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 91.9 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) : 1.65 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.71 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: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: CNS REMARK 200 STARTING MODEL: PDB ENTRY 1ZBI REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 46.92 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.32 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 27% MPD, 0.25M AMMONIUM ACETATE, NA REMARK 280 CITRATE PH 5.6, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 278K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z 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 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 41.02600 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 18.46250 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 41.02600 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 18.46250 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: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, C, 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 GLY A 55 REMARK 465 SER A 56 REMARK 465 HIS A 57 REMARK 465 MET A 58 REMARK 465 ALA A 59 REMARK 465 LYS A 60 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLU A 61 CG CD OE1 OE2 REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 GLU A 154 CG CD OE1 OE2 REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 401 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A 406 O REMARK 620 2 ASP A 132 OD1 68.7 REMARK 620 3 ASP A 132 OD2 78.5 54.1 REMARK 620 4 ASP A 71 OD1 73.9 142.3 122.5 REMARK 620 5 HOH A 514 O 125.0 125.9 76.2 80.0 REMARK 620 6 A B 6 O3' 157.6 91.2 97.8 124.6 74.3 REMARK 620 7 GLU A 109 OE2 87.7 86.8 140.9 87.3 138.7 81.4 REMARK 620 N 1 2 3 4 5 6 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 402 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 TYR A 193 O REMARK 620 2 ASN A 192 OD1 78.6 REMARK 620 3 HOH A 408 O 85.7 73.4 REMARK 620 4 HOH A 409 O 86.1 67.6 141.0 REMARK 620 5 HOH A 472 O 168.0 93.2 83.6 99.0 REMARK 620 6 HOH A 476 O 80.2 139.7 71.1 144.0 101.1 REMARK 620 7 C B 2 OP2 108.4 140.1 144.7 73.6 83.5 79.4 REMARK 620 N 1 2 3 4 5 6 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 403 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A 422 O REMARK 620 2 HOH A 439 O 122.2 REMARK 620 3 TYR A 83 OH 75.1 77.6 REMARK 620 4 HOH A 414 O 70.4 102.1 138.6 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 404 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A 416 O REMARK 620 2 HOH A 433 O 122.8 REMARK 620 3 HOH A 502 O 114.9 90.4 REMARK 620 4 HOH A 417 O 122.0 109.1 86.9 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 401 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 402 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 403 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 404 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1ZBF RELATED DB: PDB REMARK 900 RELATED ID: 1ZBI RELATED DB: PDB REMARK 900 RELATED ID: 1ZBL RELATED DB: PDB REMARK 900 RELATED ID: 2G8F RELATED DB: PDB REMARK 900 RELATED ID: 2G8H RELATED DB: PDB REMARK 900 RELATED ID: 2G8I RELATED DB: PDB DBREF 2G8K A 59 196 UNP Q9KEI9 RNH1_BACHD 59 196 DBREF 2G8K B 1 6 PDB 2G8K 2G8K 1 6 DBREF 2G8K C 1 6 PDB 2G8K 2G8K 1 6 SEQADV 2G8K GLY A 55 UNP Q9KEI9 CLONING ARTIFACT SEQADV 2G8K SER A 56 UNP Q9KEI9 CLONING ARTIFACT SEQADV 2G8K HIS A 57 UNP Q9KEI9 CLONING ARTIFACT SEQADV 2G8K MET A 58 UNP Q9KEI9 CLONING ARTIFACT SEQADV 2G8K ASN A 192 UNP Q9KEI9 ASP 192 ENGINEERED SEQRES 1 B 6 U C G A C A SEQRES 1 C 6 DA DT DG DT DC DG SEQRES 1 A 142 GLY SER HIS MET ALA LYS GLU GLU ILE ILE TRP GLU SER SEQRES 2 A 142 LEU SER VAL ASP VAL GLY SER GLN GLY ASN PRO GLY ILE SEQRES 3 A 142 VAL GLU TYR LYS GLY VAL ASP THR LYS THR GLY GLU VAL SEQRES 4 A 142 LEU PHE GLU ARG GLU PRO ILE PRO ILE GLY THR ASN ASN SEQRES 5 A 142 MET GLY GLU PHE LEU ALA ILE VAL HIS GLY LEU ARG TYR SEQRES 6 A 142 LEU LYS GLU ARG ASN SER ARG LYS PRO ILE TYR SER ASP SEQRES 7 A 142 SER GLN THR ALA ILE LYS TRP VAL LYS ASP LYS LYS ALA SEQRES 8 A 142 LYS SER THR LEU VAL ARG ASN GLU GLU THR ALA LEU ILE SEQRES 9 A 142 TRP LYS LEU VAL ASP GLU ALA GLU GLU TRP LEU ASN THR SEQRES 10 A 142 HIS THR TYR GLU THR PRO ILE LEU LYS TRP GLN THR ASP SEQRES 11 A 142 LYS TRP GLY GLU ILE LYS ALA ASN TYR GLY ARG LYS HET CA A 401 1 HET CA A 402 1 HET CA A 403 1 HET CA A 404 1 HETNAM CA CALCIUM ION FORMUL 4 CA 4(CA 2+) FORMUL 8 HOH *271(H2 O) HELIX 1 1 THR A 104 ARG A 123 1 20 HELIX 2 2 SER A 133 LYS A 143 1 11 HELIX 3 3 THR A 155 ASN A 170 1 16 HELIX 4 4 GLN A 182 GLY A 187 1 6 SHEET 1 A 3 VAL A 93 GLU A 96 0 SHEET 2 A 3 GLY A 79 ASP A 87 -1 N GLY A 85 O LEU A 94 SHEET 3 A 3 ILE A 100 GLY A 103 -1 O ILE A 100 N VAL A 81 SHEET 1 B 5 VAL A 93 GLU A 96 0 SHEET 2 B 5 GLY A 79 ASP A 87 -1 N GLY A 85 O LEU A 94 SHEET 3 B 5 LEU A 68 GLN A 75 -1 N SER A 69 O VAL A 86 SHEET 4 B 5 ILE A 129 SER A 131 1 O TYR A 130 N LEU A 68 SHEET 5 B 5 ILE A 178 LYS A 180 1 O LEU A 179 N ILE A 129 LINK CA CA A 401 O HOH A 406 1555 1555 2.85 LINK CA CA A 401 OD1 ASP A 132 1555 1555 2.38 LINK CA CA A 401 OD2 ASP A 132 1555 1555 2.44 LINK CA CA A 401 OD1 ASP A 71 1555 1555 2.31 LINK CA CA A 401 O HOH A 514 1555 1555 2.44 LINK CA CA A 401 O3' A B 6 1555 1555 2.43 LINK CA CA A 401 OE2 GLU A 109 1555 1555 2.40 LINK CA CA A 402 O TYR A 193 1555 1555 2.36 LINK CA CA A 402 OD1 ASN A 192 1555 1555 2.39 LINK CA CA A 402 O HOH A 408 1555 1555 2.40 LINK CA CA A 402 O HOH A 409 1555 1555 2.50 LINK CA CA A 402 O HOH A 472 1555 1555 2.35 LINK CA CA A 402 O HOH A 476 1555 1555 2.35 LINK CA CA A 403 O HOH A 422 1555 1555 3.21 LINK CA CA A 403 O HOH A 439 1555 1555 3.11 LINK CA CA A 403 OH TYR A 83 1555 1555 3.05 LINK CA CA A 403 O HOH A 414 1555 1555 3.23 LINK CA CA A 404 O HOH A 416 1555 1555 2.69 LINK CA CA A 404 O HOH A 433 1555 1555 2.81 LINK CA CA A 404 O HOH A 502 1555 1555 2.71 LINK CA CA A 404 O HOH A 417 1555 1555 2.87 LINK CA CA A 402 OP2 C B 2 1555 4546 2.32 CISPEP 1 ASN A 77 PRO A 78 0 -0.10 SITE *** AC1 6 ASP A 71 GLU A 109 ASP A 132 HOH A 406 SITE *** AC1 6 HOH A 514 A B 6 SITE *** AC2 7 ASN A 192 TYR A 193 HOH A 408 HOH A 409 SITE *** AC2 7 HOH A 472 HOH A 476 C B 2 SITE *** AC3 1 TYR A 83 SITE *** AC4 5 ILE A 178 HOH A 416 HOH A 417 HOH A 433 SITE *** AC4 5 HOH A 502 CRYST1 82.052 36.925 61.860 90.00 96.30 90.00 C 1 2 1 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 0.012187 0.000000 0.001346 0.00000 SCALE2 0.000000 0.027082 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016264 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj : A 192 ASNHD21 : A 192 ASN OD1 : A 402 CACA :(metal ligand) USER MOD NoAdj : A 192 ASNHD22 : A 192 ASN OD1 : A 402 CACA :(metal ligand) USER MOD Set 1.1: A 182 GLN : amide:sc= -0.0381 X(o=-0.038,f=-0.49) USER MOD Set 1.2: A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 171 THR OG1 : rot -74:sc= 0.786 USER MOD Set 2.2: A 172 HIS : no HE2:sc= 1.2 K(o=2,f=-6.1!) USER MOD Set 3.1: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 115 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.3!) USER MOD Set 4.1: A 67 SER OG : rot -112:sc= 2.13 USER MOD Set 4.2: A 69 SER OG : rot 74:sc= 2.38 USER MOD Set 4.3: A 88 THR OG1 : rot 151:sc= 1.99 USER MOD Single : A 74 SER OG : rot 118:sc= 0.793 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.00047) USER MOD Single : A 77 ASN : amide:sc= 0.38 K(o=0.38,f=-2.4!) USER MOD Single : A 84 LYS NZ :NH3+ -119:sc= 1.5 (180deg=0.159) USER MOD Single : A 89 LYS NZ :NH3+ -169:sc= -0.0164 (180deg=-0.254) USER MOD Single : A 90 THR OG1 : rot 168:sc= 1.46 USER MOD Single : A 104 THR OG1 : rot -179:sc= 0.539 USER MOD Single : A 105 ASN : amide:sc= -0.539 K(o=-0.54,f=-6.1!) USER MOD Single : A 106 ASN : amide:sc= 1.65 K(o=1.7,f=-3.3!) USER MOD Single : A 107 MET CE :methyl 151:sc= -0.832 (180deg=-1.81!) USER MOD Single : A 119 TYR OH : rot 15:sc= 1.72 USER MOD Single : A 121 LYS NZ :NH3+ -167:sc= 1.03 (180deg=0.886) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 TYR OH : rot -162:sc= 1.4 USER MOD Single : A 131 SER OG : rot 137:sc= 1.39 USER MOD Single : A 133 SER OG : rot 75:sc= 1.72 USER MOD Single : A 134 GLN : amide:sc= -0.042 K(o=-0.042,f=-4.8!) USER MOD Single : A 135 THR OG1 : rot 87:sc= 0.745 USER MOD Single : A 138 LYS NZ :NH3+ -173:sc= 2.14 (180deg=2.04) USER MOD Single : A 141 LYS NZ :NH3+ 148:sc= 0.00659 (180deg=0) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0.721 (180deg=0.721) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.14) USER MOD Single : A 147 SER OG : rot 81:sc= 1.15 USER MOD Single : A 148 THR OG1 : rot 85:sc= 2.51 USER MOD Single : A 152 ASN : amide:sc= -0.219 K(o=-0.22,f=-6.5!) USER MOD Single : A 155 THR OG1 : rot -173:sc= 1.42 USER MOD Single : A 160 LYS NZ :NH3+ -120:sc= -0.512 (180deg=-0.638) USER MOD Single : A 170 ASN : amide:sc= 0.131 X(o=0.13,f=0.47) USER MOD Single : A 173 THR OG1 : rot 90:sc= 0.18 USER MOD Single : A 174 TYR OH : rot -29:sc= 1.07 USER MOD Single : A 176 THR OG1 : rot -71:sc= 2.1 USER MOD Single : A 180 LYS NZ :NH3+ -116:sc= 2.24 (180deg=-0.618) USER MOD Single : A 183 THR OG1 : rot 135:sc= 2.35 USER MOD Single : A 190 LYS NZ :NH3+ -130:sc= 1.14 (180deg=-0.103) USER MOD Single : A 193 TYR OH : rot 156:sc= 0.331 USER MOD Single : A 196 LYS NZ :NH3+ 173:sc=-0.00626 (180deg=-0.0414) USER MOD Single : B 1 U O2' : rot -19:sc= 0.0139 USER MOD Single : B 1 U O5' : rot 180:sc= -0.0106 USER MOD Single : B 2 C O2' : rot 176:sc= 1.31 USER MOD Single : B 3 G O2' : rot 180:sc= -0.264 USER MOD Single : B 4 A O2' : rot -2:sc= 0.467 USER MOD Single : B 5 C O2' : rot -64:sc= 1.33 USER MOD Single : B 6 A O2' : rot -22:sc= 1.66 USER MOD Single : C 1 DA O5'A: rot 180:sc= -0.057 USER MOD Single : C 1 DA O5'B: rot 22:sc= 0.0688 USER MOD Single : C 2 DT C7 A:methyl -30:sc= -0.0716 (180deg=-0.381) USER MOD Single : C 2 DT C7 B:methyl 150:sc= -0.141 (180deg=-0.141) USER MOD Single : C 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 6 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' U B 1 18.462 7.948 39.607 1.00 12.58 O ATOM 2 C5' U B 1 17.606 8.258 40.703 1.00 13.65 C ATOM 3 C4' U B 1 16.184 8.529 40.271 1.00 13.68 C ATOM 4 O4' U B 1 16.146 9.680 39.380 1.00 12.67 O ATOM 5 C3' U B 1 15.524 7.444 39.442 1.00 14.05 C ATOM 6 O3' U B 1 15.100 6.348 40.236 1.00 15.84 O ATOM 7 C2' U B 1 14.380 8.217 38.811 1.00 13.13 C ATOM 8 O2' U B 1 13.363 8.524 39.746 1.00 12.92 O ATOM 9 C1' U B 1 15.102 9.508 38.428 1.00 12.83 C ATOM 10 N1 U B 1 15.703 9.395 37.092 1.00 13.39 N ATOM 11 C2 U B 1 14.858 9.503 36.004 1.00 13.77 C ATOM 12 O2 U B 1 13.657 9.709 36.117 1.00 13.90 O ATOM 13 N3 U B 1 15.467 9.362 34.780 1.00 13.99 N ATOM 14 C4 U B 1 16.808 9.133 34.543 1.00 14.06 C ATOM 15 O4 U B 1 17.206 9.010 33.383 1.00 16.54 O ATOM 16 C5 U B 1 17.617 9.046 35.720 1.00 15.05 C ATOM 17 C6 U B 1 17.051 9.176 36.926 1.00 14.73 C ATOM 0 H5' U B 1 17.952 9.035 41.170 1.00 13.65 H new ATOM 0 H5'' U B 1 17.614 7.521 41.334 1.00 13.65 H new ATOM 0 H4' U B 1 15.719 8.630 41.116 1.00 13.68 H new ATOM 0 H3' U B 1 16.105 7.019 38.792 1.00 14.05 H new ATOM 0 H2' U B 1 13.939 7.737 38.093 1.00 13.13 H new ATOM 0 HO2' U B 1 13.431 8.016 40.411 1.00 12.92 H new ATOM 0 HO5' U B 1 19.240 7.806 39.890 1.00 12.58 H new ATOM 0 H1' U B 1 14.480 10.252 38.418 1.00 12.83 H new ATOM 0 H3 U B 1 14.959 9.423 34.089 1.00 13.99 H new ATOM 0 H5 U B 1 18.533 8.900 35.647 1.00 15.05 H new ATOM 0 H6 U B 1 17.590 9.116 37.681 1.00 14.73 H new ATOM 18 P C B 2 15.714 4.894 39.942 1.00 15.17 P ATOM 19 OP1 C B 2 14.982 3.906 40.770 1.00 15.19 O ATOM 20 OP2 C B 2 17.195 5.005 40.065 1.00 16.68 O ATOM 21 O5' C B 2 15.398 4.665 38.398 1.00 16.25 O ATOM 22 C5' C B 2 14.279 3.896 37.968 1.00 16.67 C ATOM 23 C4' C B 2 13.172 4.805 37.481 1.00 16.80 C ATOM 24 O4' C B 2 13.729 5.952 36.783 1.00 16.34 O ATOM 25 C3' C B 2 12.228 4.158 36.480 1.00 16.85 C ATOM 26 O3' C B 2 11.203 3.431 37.146 1.00 16.27 O ATOM 27 C2' C B 2 11.691 5.356 35.709 1.00 15.98 C ATOM 28 O2' C B 2 10.648 6.013 36.399 1.00 19.14 O ATOM 29 C1' C B 2 12.923 6.264 35.658 1.00 17.13 C ATOM 30 N1 C B 2 13.759 6.119 34.453 1.00 16.35 N ATOM 31 C2 C B 2 13.236 6.479 33.205 1.00 17.52 C ATOM 32 O2 C B 2 12.065 6.886 33.136 1.00 16.69 O ATOM 33 N3 C B 2 14.022 6.371 32.105 1.00 16.85 N ATOM 34 C4 C B 2 15.275 5.922 32.220 1.00 18.22 C ATOM 35 N4 C B 2 16.015 5.836 31.114 1.00 17.08 N ATOM 36 C5 C B 2 15.826 5.542 33.475 1.00 17.66 C ATOM 37 C6 C B 2 15.040 5.652 34.554 1.00 18.12 C ATOM 0 H5' C B 2 13.956 3.346 38.699 1.00 16.67 H new ATOM 0 H5'' C B 2 14.547 3.293 37.257 1.00 16.67 H new ATOM 0 H4' C B 2 12.685 5.039 38.286 1.00 16.80 H new ATOM 0 H3' C B 2 12.650 3.504 35.901 1.00 16.85 H new ATOM 0 H2' C B 2 11.316 5.113 34.848 1.00 15.98 H new ATOM 0 HO2' C B 2 10.414 6.696 35.969 1.00 19.14 H new ATOM 0 H1' C B 2 12.592 7.176 35.649 1.00 17.13 H new ATOM 0 H41 C B 2 16.825 5.550 31.160 1.00 17.08 H new ATOM 0 H42 C B 2 15.682 6.066 30.355 1.00 17.08 H new ATOM 0 H5 C B 2 16.699 5.229 33.544 1.00 17.66 H new ATOM 0 H6 C B 2 15.372 5.406 35.387 1.00 18.12 H new ATOM 38 P G B 3 10.853 1.940 36.664 1.00 17.42 P ATOM 39 OP1 G B 3 9.927 1.343 37.658 1.00 18.05 O ATOM 40 OP2 G B 3 12.129 1.253 36.347 1.00 18.15 O ATOM 41 O5' G B 3 10.042 2.166 35.314 1.00 17.85 O ATOM 42 C5' G B 3 8.730 2.716 35.348 1.00 19.92 C ATOM 43 C4' G B 3 8.264 3.045 33.953 1.00 20.26 C ATOM 44 O4' G B 3 9.089 4.109 33.411 1.00 20.39 O ATOM 45 C3' G B 3 8.406 1.930 32.931 1.00 21.11 C ATOM 46 O3' G B 3 7.343 0.991 32.994 1.00 23.83 O ATOM 47 C2' G B 3 8.393 2.715 31.631 1.00 19.76 C ATOM 48 O2' G B 3 7.096 3.153 31.283 1.00 21.59 O ATOM 49 C1' G B 3 9.255 3.916 32.015 1.00 20.33 C ATOM 50 N9 G B 3 10.665 3.656 31.756 1.00 19.05 N ATOM 51 C8 G B 3 11.642 3.346 32.670 1.00 16.77 C ATOM 52 N7 G B 3 12.812 3.157 32.122 1.00 16.79 N ATOM 53 C5 G B 3 12.591 3.357 30.766 1.00 17.01 C ATOM 54 C6 G B 3 13.484 3.291 29.670 1.00 15.27 C ATOM 55 O6 G B 3 14.689 3.032 29.677 1.00 17.43 O ATOM 56 N1 G B 3 12.838 3.562 28.468 1.00 16.83 N ATOM 57 C2 G B 3 11.502 3.854 28.335 1.00 16.07 C ATOM 58 N2 G B 3 11.060 4.073 27.087 1.00 16.59 N ATOM 59 N3 G B 3 10.661 3.922 29.350 1.00 17.37 N ATOM 60 C4 G B 3 11.270 3.665 30.526 1.00 17.18 C ATOM 0 H5' G B 3 8.722 3.517 35.895 1.00 19.92 H new ATOM 0 H5'' G B 3 8.119 2.085 35.760 1.00 19.92 H new ATOM 0 H4' G B 3 7.325 3.257 34.070 1.00 20.26 H new ATOM 0 H3' G B 3 9.196 1.382 33.060 1.00 21.11 H new ATOM 0 H2' G B 3 8.699 2.201 30.867 1.00 19.76 H new ATOM 0 HO2' G B 3 7.129 3.583 30.562 1.00 21.59 H new ATOM 0 H1' G B 3 8.987 4.691 31.496 1.00 20.33 H new ATOM 0 H8 G B 3 11.486 3.278 33.584 1.00 16.77 H new ATOM 0 H1 G B 3 13.313 3.545 27.751 1.00 16.83 H new ATOM 0 H21 G B 3 10.232 4.260 26.951 1.00 16.59 H new ATOM 0 H22 G B 3 11.605 4.027 26.423 1.00 16.59 H new ATOM 61 P A B 4 7.615 -0.536 32.570 1.00 25.90 P ATOM 62 OP1 A B 4 6.393 -1.319 32.877 1.00 27.03 O ATOM 63 OP2 A B 4 8.918 -0.948 33.152 1.00 27.81 O ATOM 64 O5' A B 4 7.794 -0.467 30.988 1.00 25.55 O ATOM 65 C5' A B 4 6.764 0.061 30.164 1.00 25.01 C ATOM 66 C4' A B 4 7.264 0.258 28.751 1.00 22.14 C ATOM 67 O4' A B 4 8.373 1.194 28.753 1.00 21.56 O ATOM 68 C3' A B 4 7.836 -0.966 28.056 1.00 22.46 C ATOM 69 O3' A B 4 6.798 -1.770 27.515 1.00 20.26 O ATOM 70 C2' A B 4 8.665 -0.321 26.956 1.00 20.50 C ATOM 71 O2' A B 4 7.849 0.164 25.908 1.00 21.89 O ATOM 72 C1' A B 4 9.274 0.865 27.705 1.00 20.14 C ATOM 73 N9 A B 4 10.576 0.558 28.294 1.00 17.63 N ATOM 74 C8 A B 4 10.865 0.232 29.596 1.00 18.01 C ATOM 75 N7 A B 4 12.140 0.015 29.817 1.00 16.77 N ATOM 76 C5 A B 4 12.731 0.211 28.576 1.00 14.38 C ATOM 77 C6 A B 4 14.065 0.135 28.140 1.00 12.75 C ATOM 78 N6 A B 4 15.093 -0.156 28.941 1.00 16.39 N ATOM 79 N1 A B 4 14.312 0.377 26.835 1.00 13.55 N ATOM 80 C2 A B 4 13.286 0.684 26.034 1.00 13.78 C ATOM 81 N3 A B 4 11.993 0.793 26.326 1.00 14.64 N ATOM 82 C4 A B 4 11.779 0.540 27.629 1.00 15.31 C ATOM 0 H5' A B 4 6.456 0.907 30.525 1.00 25.01 H new ATOM 0 H5'' A B 4 6.003 -0.541 30.163 1.00 25.01 H new ATOM 0 H4' A B 4 6.466 0.545 28.280 1.00 22.14 H new ATOM 0 H3' A B 4 8.339 -1.560 28.635 1.00 22.46 H new ATOM 0 H2' A B 4 9.298 -0.929 26.543 1.00 20.50 H new ATOM 0 HO2' A B 4 7.046 -0.024 26.068 1.00 21.89 H new ATOM 0 H1' A B 4 9.411 1.592 27.078 1.00 20.14 H new ATOM 0 H8 A B 4 10.217 0.171 30.260 1.00 18.01 H new ATOM 0 H61 A B 4 15.891 -0.190 28.622 1.00 16.39 H new ATOM 0 H62 A B 4 14.957 -0.310 29.776 1.00 16.39 H new ATOM 0 H2 A B 4 13.509 0.844 25.145 1.00 13.78 H new ATOM 83 P C B 5 7.078 -3.315 27.184 1.00 18.72 P ATOM 84 OP1 C B 5 5.767 -3.901 26.796 1.00 18.95 O ATOM 85 OP2 C B 5 7.869 -3.936 28.275 1.00 18.79 O ATOM 86 O5' C B 5 8.001 -3.272 25.888 1.00 16.55 O ATOM 87 C5' C B 5 7.511 -2.734 24.669 1.00 13.55 C ATOM 88 C4' C B 5 8.593 -2.766 23.622 1.00 12.22 C ATOM 89 O4' C B 5 9.666 -1.861 23.997 1.00 13.88 O ATOM 90 C3' C B 5 9.296 -4.100 23.462 1.00 12.22 C ATOM 91 O3' C B 5 8.523 -4.984 22.660 1.00 12.27 O ATOM 92 C2' C B 5 10.593 -3.676 22.788 1.00 12.88 C ATOM 93 O2' C B 5 10.407 -3.363 21.426 1.00 13.39 O ATOM 94 C1' C B 5 10.907 -2.383 23.541 1.00 10.95 C ATOM 95 N1 C B 5 11.774 -2.613 24.704 1.00 12.96 N ATOM 96 C2 C B 5 13.156 -2.635 24.513 1.00 13.12 C ATOM 97 O2 C B 5 13.602 -2.466 23.367 1.00 12.77 O ATOM 98 N3 C B 5 13.969 -2.839 25.577 1.00 13.00 N ATOM 99 C4 C B 5 13.443 -3.024 26.791 1.00 12.06 C ATOM 100 N4 C B 5 14.279 -3.218 27.815 1.00 11.87 N ATOM 101 C5 C B 5 12.036 -3.016 27.011 1.00 12.30 C ATOM 102 C6 C B 5 11.246 -2.806 25.950 1.00 11.63 C ATOM 0 H5' C B 5 7.210 -1.822 24.807 1.00 13.55 H new ATOM 0 H5'' C B 5 6.743 -3.244 24.367 1.00 13.55 H new ATOM 0 H4' C B 5 8.126 -2.538 22.803 1.00 12.22 H new ATOM 0 H3' C B 5 9.438 -4.591 24.286 1.00 12.22 H new ATOM 0 H2' C B 5 11.274 -4.366 22.815 1.00 12.88 H new ATOM 0 HO2' C B 5 10.161 -4.051 21.011 1.00 13.39 H new ATOM 0 H1' C B 5 11.374 -1.775 22.947 1.00 10.95 H new ATOM 0 H41 C B 5 13.967 -3.340 28.607 1.00 11.87 H new ATOM 0 H42 C B 5 15.129 -3.221 27.682 1.00 11.87 H new ATOM 0 H5 C B 5 11.679 -3.151 27.859 1.00 12.30 H new ATOM 0 H6 C B 5 10.323 -2.791 26.063 1.00 11.63 H new ATOM 103 P A B 6 8.857 -6.552 22.663 1.00 12.90 P ATOM 104 OP1 A B 6 7.887 -7.186 21.737 1.00 13.62 O ATOM 105 OP2 A B 6 8.964 -7.049 24.060 1.00 14.73 O ATOM 106 O5' A B 6 10.291 -6.587 21.976 1.00 13.33 O ATOM 107 C5' A B 6 11.278 -7.539 22.330 1.00 11.62 C ATOM 108 C4' A B 6 12.616 -7.094 21.784 1.00 12.00 C ATOM 109 O4' A B 6 13.041 -5.902 22.497 1.00 12.09 O ATOM 110 C3' A B 6 13.767 -8.066 21.960 1.00 11.50 C ATOM 111 O3' A B 6 13.753 -9.046 20.917 1.00 12.74 O ATOM 112 C2' A B 6 14.972 -7.138 21.916 1.00 12.29 C ATOM 113 O2' A B 6 15.269 -6.711 20.599 1.00 13.02 O ATOM 114 C1' A B 6 14.441 -5.940 22.703 1.00 11.75 C ATOM 115 N9 A B 6 14.676 -6.027 24.144 1.00 12.25 N ATOM 116 C8 A B 6 13.734 -6.162 25.134 1.00 12.51 C ATOM 117 N7 A B 6 14.236 -6.177 26.344 1.00 12.89 N ATOM 118 C5 A B 6 15.602 -6.048 26.139 1.00 13.42 C ATOM 119 C6 A B 6 16.686 -5.988 27.025 1.00 13.65 C ATOM 120 N6 A B 6 16.558 -6.051 28.356 1.00 14.37 N ATOM 121 N1 A B 6 17.923 -5.859 26.496 1.00 11.97 N ATOM 122 C2 A B 6 18.048 -5.802 25.162 1.00 12.63 C ATOM 123 N3 A B 6 17.102 -5.846 24.224 1.00 11.04 N ATOM 124 C4 A B 6 15.888 -5.968 24.786 1.00 13.93 C ATOM 0 H5' A B 6 11.045 -8.411 21.974 1.00 11.62 H new ATOM 0 H5'' A B 6 11.324 -7.630 23.295 1.00 11.62 H new ATOM 0 H4' A B 6 12.453 -6.982 20.834 1.00 12.00 H new ATOM 0 H3' A B 6 13.745 -8.593 22.774 1.00 11.50 H new ATOM 0 H2' A B 6 15.782 -7.552 22.253 1.00 12.29 H new ATOM 0 HO2' A B 6 14.944 -7.255 20.048 1.00 13.02 H new ATOM 0 H1' A B 6 14.907 -5.149 22.388 1.00 11.75 H new ATOM 0 H8 A B 6 12.823 -6.236 24.961 1.00 12.51 H new ATOM 0 H61 A B 6 17.255 -6.010 28.857 1.00 14.37 H new ATOM 0 H62 A B 6 15.778 -6.133 28.710 1.00 14.37 H new ATOM 0 H2 A B 6 18.919 -5.720 24.846 1.00 12.63 H new TER 125 A B 6 ATOM 126 O5'A DA C 1 23.542 -6.008 35.172 0.50 32.06 O ATOM 127 O5'B DA C 1 23.546 -5.949 35.263 0.50 26.58 O ATOM 128 C5'A DA C 1 24.965 -6.055 35.190 0.50 31.62 C ATOM 129 C5'B DA C 1 24.953 -6.189 35.191 0.50 25.46 C ATOM 130 C4'A DA C 1 25.540 -6.481 33.860 0.50 31.47 C ATOM 131 C4'B DA C 1 25.363 -6.725 33.840 0.50 24.66 C ATOM 132 O4'A DA C 1 25.060 -7.806 33.512 0.50 31.31 O ATOM 133 O4'B DA C 1 24.650 -7.961 33.579 0.50 24.12 O ATOM 134 C3'A DA C 1 25.170 -5.599 32.678 0.50 30.97 C ATOM 135 C3'B DA C 1 25.030 -5.832 32.654 0.50 22.95 C ATOM 136 O3'A DA C 1 26.062 -4.484 32.618 0.50 31.29 O ATOM 137 O3'B DA C 1 26.067 -4.876 32.453 0.50 21.56 O ATOM 138 C2'A DA C 1 25.275 -6.564 31.506 0.50 30.15 C ATOM 139 C2'B DA C 1 24.961 -6.832 31.506 0.50 22.69 C ATOM 140 C1'A DA C 1 24.750 -7.855 32.132 0.50 29.62 C ATOM 141 C1'B DA C 1 24.357 -8.058 32.195 0.50 22.85 C ATOM 142 N9 A DA C 1 23.303 -8.002 32.017 0.50 27.78 N ATOM 143 N9 B DA C 1 22.907 -8.158 32.042 0.50 21.10 N ATOM 144 C8 A DA C 1 22.390 -7.957 33.042 0.50 27.21 C ATOM 145 C8 B DA C 1 21.955 -8.130 33.030 0.50 20.82 C ATOM 146 N7 A DA C 1 21.152 -8.133 32.656 0.50 26.56 N ATOM 147 N7 B DA C 1 20.729 -8.270 32.589 0.50 20.18 N ATOM 148 C5 A DA C 1 21.254 -8.307 31.283 0.50 26.31 C ATOM 149 C5 B DA C 1 20.882 -8.394 31.215 0.50 19.70 C ATOM 150 C6 A DA C 1 20.293 -8.542 30.293 0.50 25.86 C ATOM 151 C6 B DA C 1 19.957 -8.577 30.173 0.50 19.56 C ATOM 152 N6 A DA C 1 18.989 -8.660 30.548 0.50 25.44 N ATOM 153 N6 B DA C 1 18.639 -8.684 30.362 0.50 18.62 N ATOM 154 N1 A DA C 1 20.721 -8.657 29.016 0.50 25.33 N ATOM 155 N1 B DA C 1 20.438 -8.652 28.911 0.50 17.66 N ATOM 156 C2 A DA C 1 22.032 -8.546 28.769 0.50 25.35 C ATOM 157 C2 B DA C 1 21.761 -8.553 28.724 0.50 19.17 C ATOM 158 N3 A DA C 1 23.035 -8.333 29.617 0.50 26.23 N ATOM 159 N3 B DA C 1 22.729 -8.387 29.621 0.50 19.32 N ATOM 160 C4 A DA C 1 22.573 -8.222 30.875 0.50 26.78 C ATOM 161 C4 B DA C 1 22.218 -8.315 30.863 0.50 20.31 C ATOM 0 H5'A DA C 1 25.258 -6.672 35.879 0.50 25.46 H new ATOM 0 H5'B DA C 1 25.209 -6.821 35.881 0.50 25.46 H new ATOM 0 H5''A DA C 1 25.313 -5.181 35.425 0.50 25.46 H new ATOM 0 H5''B DA C 1 25.431 -5.364 35.370 0.50 25.46 H new ATOM 0 H4'A DA C 1 26.499 -6.430 33.997 0.50 24.66 H new ATOM 0 H4'B DA C 1 26.327 -6.813 33.904 0.50 24.66 H new ATOM 0 H3'A DA C 1 24.290 -5.191 32.711 0.50 22.95 H new ATOM 0 H3'B DA C 1 24.216 -5.315 32.758 0.50 22.95 H new ATOM 0 H2'A DA C 1 24.739 -6.280 30.749 0.50 22.69 H new ATOM 0 H2'B DA C 1 24.405 -6.513 30.778 0.50 22.69 H new ATOM 0 H2''A DA C 1 26.187 -6.656 31.189 0.50 22.69 H new ATOM 0 H2''B DA C 1 25.837 -7.019 31.133 0.50 22.69 H new ATOM 0 HO5'A DA C 1 23.260 -5.770 35.926 0.50 26.58 H new ATOM 0 HO5'B DA C 1 23.153 -6.409 34.681 0.50 26.58 H new ATOM 0 H1'A DA C 1 25.161 -8.600 31.666 0.50 22.85 H new ATOM 0 H1'B DA C 1 24.742 -8.846 31.781 0.50 22.85 H new ATOM 0 H8 A DA C 1 22.630 -7.814 33.929 0.50 20.82 H new ATOM 0 H8 B DA C 1 22.161 -8.022 33.930 0.50 20.82 H new ATOM 0 H61A DA C 1 18.436 -8.804 29.905 0.50 18.62 H new ATOM 0 H61B DA C 1 18.116 -8.795 29.689 0.50 18.62 H new ATOM 0 H62A DA C 1 18.701 -8.592 31.355 0.50 18.62 H new ATOM 0 H62B DA C 1 18.314 -8.642 31.157 0.50 18.62 H new ATOM 0 H2 A DA C 1 22.277 -8.630 27.876 0.50 19.17 H new ATOM 0 H2 B DA C 1 22.043 -8.608 27.840 0.50 19.17 H new ATOM 162 P A DT C 2 27.130 -4.353 31.420 0.50 29.59 P ATOM 163 P B DT C 2 25.728 -3.457 31.772 0.50 16.78 P ATOM 164 OP1A DT C 2 28.088 -5.497 31.530 0.50 31.31 O ATOM 165 OP1B DT C 2 26.955 -2.629 31.884 0.50 17.79 O ATOM 166 OP2A DT C 2 27.634 -2.958 31.417 0.50 30.79 O ATOM 167 OP2B DT C 2 24.447 -2.942 32.312 0.50 16.84 O ATOM 168 O5'A DT C 2 26.311 -4.574 30.076 0.50 27.64 O ATOM 169 O5'B DT C 2 25.501 -3.813 30.236 0.50 18.16 O ATOM 170 C5'A DT C 2 26.904 -5.321 29.021 0.50 24.02 C ATOM 171 C5'B DT C 2 26.449 -4.596 29.518 0.50 14.83 C ATOM 172 C4'A DT C 2 26.201 -5.057 27.712 0.50 21.85 C ATOM 173 C4'B DT C 2 26.032 -4.727 28.071 0.50 15.69 C ATOM 174 O4'A DT C 2 24.862 -5.605 27.750 0.50 21.94 O ATOM 175 O4'B DT C 2 24.792 -5.476 28.002 0.50 13.68 O ATOM 176 C3'A DT C 2 26.065 -3.591 27.297 0.50 20.53 C ATOM 177 C3'B DT C 2 25.780 -3.400 27.354 0.50 14.76 C ATOM 178 O3'A DT C 2 26.380 -3.491 25.909 0.50 17.18 O ATOM 179 O3'B DT C 2 26.330 -3.420 26.031 0.50 14.70 O ATOM 180 C2'A DT C 2 24.596 -3.288 27.543 0.50 20.95 C ATOM 181 C2'B DT C 2 24.265 -3.282 27.329 0.50 13.81 C ATOM 182 C1'A DT C 2 23.939 -4.636 27.291 0.50 21.41 C ATOM 183 C1'B DT C 2 23.797 -4.732 27.316 0.50 13.58 C ATOM 184 N1 A DT C 2 22.670 -4.850 28.006 0.50 20.66 N ATOM 185 N1 B DT C 2 22.513 -4.950 28.013 0.50 11.96 N ATOM 186 C2 A DT C 2 21.576 -5.257 27.276 0.50 20.54 C ATOM 187 C2 B DT C 2 21.410 -5.313 27.268 0.50 11.23 C ATOM 188 O2 A DT C 2 21.615 -5.464 26.074 0.50 20.50 O ATOM 189 O2 B DT C 2 21.442 -5.486 26.059 0.50 9.44 O ATOM 190 N3 A DT C 2 20.427 -5.414 28.009 0.50 19.65 N ATOM 191 N3 B DT C 2 20.256 -5.466 27.997 0.50 10.05 N ATOM 192 C4 A DT C 2 20.266 -5.209 29.365 0.50 19.58 C ATOM 193 C4 B DT C 2 20.098 -5.296 29.359 0.50 10.58 C ATOM 194 O4 A DT C 2 19.166 -5.381 29.883 0.50 18.35 O ATOM 195 O4 B DT C 2 18.993 -5.455 29.872 0.50 8.02 O ATOM 196 C5 A DT C 2 21.456 -4.795 30.071 0.50 19.48 C ATOM 197 C5 B DT C 2 21.294 -4.929 30.076 0.50 10.23 C ATOM 198 C7 A DT C 2 21.380 -4.559 31.547 0.50 19.33 C ATOM 199 C7 B DT C 2 21.219 -4.730 31.557 0.50 10.90 C ATOM 200 C6 A DT C 2 22.584 -4.639 29.365 0.50 20.09 C ATOM 201 C6 B DT C 2 22.426 -4.778 29.378 0.50 11.18 C ATOM 0 H5'A DT C 2 26.865 -6.268 29.228 0.50 14.83 H new ATOM 0 H5'B DT C 2 26.523 -5.475 29.921 0.50 14.83 H new ATOM 0 H5''A DT C 2 27.842 -5.087 28.942 0.50 14.83 H new ATOM 0 H5''B DT C 2 27.326 -4.184 29.573 0.50 14.83 H new ATOM 0 H4'A DT C 2 26.777 -5.482 27.058 0.50 15.69 H new ATOM 0 H4'B DT C 2 26.776 -5.165 27.630 0.50 15.69 H new ATOM 0 H3'A DT C 2 26.647 -2.980 27.775 0.50 14.76 H new ATOM 0 H3'B DT C 2 26.200 -2.646 27.796 0.50 14.76 H new ATOM 0 H2'A DT C 2 24.438 -2.972 28.446 0.50 13.81 H new ATOM 0 H2'B DT C 2 23.931 -2.806 28.105 0.50 13.81 H new ATOM 0 H2''A DT C 2 24.262 -2.605 26.941 0.50 13.81 H new ATOM 0 H2''B DT C 2 23.957 -2.800 26.546 0.50 13.81 H new ATOM 0 H1'A DT C 2 23.724 -4.690 26.347 0.50 13.58 H new ATOM 0 H1'B DT C 2 23.664 -5.000 26.393 0.50 13.58 H new ATOM 0 H3 A DT C 2 19.729 -5.668 27.576 0.50 10.05 H new ATOM 0 H3 B DT C 2 19.553 -5.693 27.556 0.50 10.05 H new ATOM 0 H71A DT C 2 20.487 -4.260 31.782 0.50 10.90 H new ATOM 0 H71B DT C 2 22.073 -4.957 31.958 0.50 10.90 H new ATOM 0 H72A DT C 2 21.579 -5.384 32.017 0.50 10.90 H new ATOM 0 H72B DT C 2 21.008 -3.803 31.749 0.50 10.90 H new ATOM 0 H73A DT C 2 22.025 -3.880 31.800 0.50 10.90 H new ATOM 0 H73B DT C 2 20.527 -5.301 31.926 0.50 10.90 H new ATOM 0 H6 A DT C 2 23.352 -4.373 29.817 0.50 11.18 H new ATOM 0 H6 B DT C 2 23.198 -4.544 29.840 0.50 11.18 H new ATOM 202 P DG C 3 26.394 -2.061 25.179 1.00 13.74 P ATOM 203 OP1 DG C 3 27.541 -2.146 24.242 1.00 15.58 O ATOM 204 OP2 DG C 3 26.303 -0.929 26.129 1.00 14.77 O ATOM 205 O5' DG C 3 25.066 -2.100 24.316 1.00 15.24 O ATOM 206 C5' DG C 3 24.887 -3.146 23.387 1.00 13.49 C ATOM 207 C4' DG C 3 23.612 -2.937 22.615 1.00 12.23 C ATOM 208 O4' DG C 3 22.471 -3.230 23.455 1.00 11.87 O ATOM 209 C3' DG C 3 23.405 -1.516 22.087 1.00 11.66 C ATOM 210 O3' DG C 3 22.972 -1.607 20.732 1.00 10.76 O ATOM 211 C2' DG C 3 22.309 -0.955 22.986 1.00 10.49 C ATOM 212 C1' DG C 3 21.511 -2.207 23.294 1.00 9.55 C ATOM 213 N9 DG C 3 20.667 -2.194 24.485 1.00 11.48 N ATOM 214 C8 DG C 3 21.052 -2.070 25.799 1.00 11.89 C ATOM 215 N7 DG C 3 20.050 -2.157 26.634 1.00 12.59 N ATOM 216 C5 DG C 3 18.940 -2.340 25.819 1.00 11.41 C ATOM 217 C6 DG C 3 17.569 -2.516 26.149 1.00 12.65 C ATOM 218 O6 DG C 3 17.046 -2.577 27.267 1.00 13.63 O ATOM 219 N1 DG C 3 16.782 -2.642 25.008 1.00 10.74 N ATOM 220 C2 DG C 3 17.254 -2.621 23.715 1.00 10.29 C ATOM 221 N2 DG C 3 16.343 -2.743 22.738 1.00 10.40 N ATOM 222 N3 DG C 3 18.526 -2.485 23.401 1.00 11.01 N ATOM 223 C4 DG C 3 19.305 -2.346 24.492 1.00 11.30 C ATOM 0 H5' DG C 3 24.858 -3.998 23.850 1.00 13.49 H new ATOM 0 H5'' DG C 3 25.641 -3.180 22.778 1.00 13.49 H new ATOM 0 H4' DG C 3 23.690 -3.534 21.854 1.00 12.23 H new ATOM 0 H3' DG C 3 24.198 -0.958 22.101 1.00 11.66 H new ATOM 0 H2' DG C 3 22.668 -0.543 23.788 1.00 10.49 H new ATOM 0 H2'' DG C 3 21.775 -0.282 22.536 1.00 10.49 H new ATOM 0 H1' DG C 3 20.881 -2.318 22.565 1.00 9.55 H new ATOM 0 H8 DG C 3 21.933 -1.938 26.066 1.00 11.89 H new ATOM 0 H1 DG C 3 15.935 -2.741 25.119 1.00 10.74 H new ATOM 0 H21 DG C 3 16.592 -2.735 21.915 1.00 10.40 H new ATOM 0 H22 DG C 3 15.510 -2.829 22.935 1.00 10.40 H new ATOM 224 P DT C 4 22.978 -0.305 19.793 1.00 13.00 P ATOM 225 OP1 DT C 4 23.080 -0.807 18.400 1.00 11.87 O ATOM 226 OP2 DT C 4 23.955 0.707 20.287 1.00 15.40 O ATOM 227 O5' DT C 4 21.516 0.273 19.994 1.00 12.52 O ATOM 228 C5' DT C 4 21.297 1.536 20.598 1.00 13.02 C ATOM 229 C4' DT C 4 19.812 1.761 20.715 1.00 13.84 C ATOM 230 O4' DT C 4 19.306 1.007 21.846 1.00 14.06 O ATOM 231 C3' DT C 4 19.377 3.210 20.921 1.00 13.06 C ATOM 232 O3' DT C 4 18.549 3.596 19.825 1.00 14.29 O ATOM 233 C2' DT C 4 18.609 3.193 22.235 1.00 16.13 C ATOM 234 C1' DT C 4 18.244 1.731 22.438 1.00 14.76 C ATOM 235 N1 DT C 4 18.150 1.353 23.870 1.00 13.88 N ATOM 236 C2 DT C 4 16.938 0.901 24.350 1.00 13.91 C ATOM 237 O2 DT C 4 15.965 0.720 23.641 1.00 14.63 O ATOM 238 N3 DT C 4 16.908 0.670 25.703 1.00 13.71 N ATOM 239 C4 DT C 4 17.946 0.832 26.604 1.00 14.16 C ATOM 240 O4 DT C 4 17.758 0.618 27.801 1.00 13.16 O ATOM 241 C5 DT C 4 19.195 1.265 26.029 1.00 13.80 C ATOM 242 C7 DT C 4 20.379 1.449 26.925 1.00 14.92 C ATOM 243 C6 DT C 4 19.238 1.491 24.707 1.00 15.09 C ATOM 0 H5' DT C 4 21.703 2.238 20.066 1.00 13.02 H new ATOM 0 H5'' DT C 4 21.712 1.567 21.474 1.00 13.02 H new ATOM 0 H4' DT C 4 19.453 1.475 19.860 1.00 13.84 H new ATOM 0 H3' DT C 4 20.111 3.843 20.957 1.00 13.06 H new ATOM 0 H2' DT C 4 19.151 3.527 22.966 1.00 16.13 H new ATOM 0 H2'' DT C 4 17.818 3.752 22.190 1.00 16.13 H new ATOM 0 H1' DT C 4 17.374 1.548 22.050 1.00 14.76 H new ATOM 0 H3 DT C 4 16.161 0.394 26.027 1.00 13.71 H new ATOM 0 H71 DT C 4 21.192 1.271 26.427 1.00 14.92 H new ATOM 0 H72 DT C 4 20.396 2.361 27.256 1.00 14.92 H new ATOM 0 H73 DT C 4 20.317 0.835 27.673 1.00 14.92 H new ATOM 0 H6 DT C 4 20.048 1.756 24.334 1.00 15.09 H new ATOM 244 P DC C 5 18.060 5.119 19.681 1.00 14.76 P ATOM 245 OP1 DC C 5 17.923 5.393 18.226 1.00 16.27 O ATOM 246 OP2 DC C 5 18.900 6.011 20.522 1.00 18.44 O ATOM 247 O5' DC C 5 16.599 5.070 20.296 1.00 14.63 O ATOM 248 C5' DC C 5 15.596 4.270 19.680 1.00 16.26 C ATOM 249 C4' DC C 5 14.278 4.458 20.386 1.00 16.23 C ATOM 250 O4' DC C 5 14.363 3.882 21.712 1.00 17.12 O ATOM 251 C3' DC C 5 13.873 5.920 20.581 1.00 18.23 C ATOM 252 O3' DC C 5 12.473 6.054 20.344 1.00 19.78 O ATOM 253 C2' DC C 5 14.196 6.184 22.041 1.00 15.81 C ATOM 254 C1' DC C 5 13.920 4.832 22.665 1.00 16.35 C ATOM 255 N1 DC C 5 14.624 4.566 23.927 1.00 16.39 N ATOM 256 C2 DC C 5 13.886 4.089 25.009 1.00 14.70 C ATOM 257 O2 DC C 5 12.664 3.924 24.869 1.00 16.01 O ATOM 258 N3 DC C 5 14.514 3.820 26.175 1.00 14.14 N ATOM 259 C4 DC C 5 15.830 4.013 26.281 1.00 15.98 C ATOM 260 N4 DC C 5 16.412 3.724 27.448 1.00 16.12 N ATOM 261 C5 DC C 5 16.609 4.507 25.194 1.00 16.52 C ATOM 262 C6 DC C 5 15.970 4.768 24.045 1.00 16.94 C ATOM 0 H5' DC C 5 15.855 3.336 19.707 1.00 16.26 H new ATOM 0 H5'' DC C 5 15.508 4.513 18.745 1.00 16.26 H new ATOM 0 H4' DC C 5 13.618 4.030 19.819 1.00 16.23 H new ATOM 0 H3' DC C 5 14.324 6.536 19.983 1.00 18.23 H new ATOM 0 H2' DC C 5 15.117 6.462 22.166 1.00 15.81 H new ATOM 0 H2'' DC C 5 13.636 6.880 22.418 1.00 15.81 H new ATOM 0 H1' DC C 5 12.976 4.792 22.884 1.00 16.35 H new ATOM 0 H41 DC C 5 17.259 3.838 27.546 1.00 16.12 H new ATOM 0 H42 DC C 5 15.940 3.424 28.101 1.00 16.12 H new ATOM 0 H5 DC C 5 17.525 4.643 25.279 1.00 16.52 H new ATOM 0 H6 DC C 5 16.450 5.091 23.317 1.00 16.94 H new ATOM 263 P DG C 6 11.792 7.505 20.397 1.00 22.24 P ATOM 264 OP1 DG C 6 10.784 7.534 19.311 1.00 23.73 O ATOM 265 OP2 DG C 6 12.853 8.542 20.450 1.00 21.02 O ATOM 266 O5' DG C 6 11.021 7.498 21.789 1.00 20.98 O ATOM 267 C5' DG C 6 9.887 6.658 21.981 1.00 23.57 C ATOM 268 C4' DG C 6 9.173 7.027 23.260 1.00 24.41 C ATOM 269 O4' DG C 6 9.958 6.602 24.401 1.00 24.07 O ATOM 270 C3' DG C 6 8.938 8.526 23.444 1.00 25.43 C ATOM 271 O3' DG C 6 7.726 8.732 24.166 1.00 27.59 O ATOM 272 C2' DG C 6 10.085 8.941 24.348 1.00 24.37 C ATOM 273 C1' DG C 6 10.236 7.718 25.237 1.00 24.34 C ATOM 274 N9 DG C 6 11.566 7.527 25.810 1.00 20.80 N ATOM 275 C8 DG C 6 12.763 7.507 25.136 1.00 19.24 C ATOM 276 N7 DG C 6 13.789 7.306 25.918 1.00 19.28 N ATOM 277 C5 DG C 6 13.238 7.187 27.186 1.00 19.02 C ATOM 278 C6 DG C 6 13.862 6.959 28.438 1.00 18.61 C ATOM 279 O6 DG C 6 15.065 6.809 28.680 1.00 16.92 O ATOM 280 N1 DG C 6 12.932 6.913 29.472 1.00 17.72 N ATOM 281 C2 DG C 6 11.574 7.065 29.322 1.00 17.29 C ATOM 282 N2 DG C 6 10.843 7.001 30.446 1.00 18.03 N ATOM 283 N3 DG C 6 10.979 7.270 28.157 1.00 18.64 N ATOM 284 C4 DG C 6 11.866 7.322 27.139 1.00 18.81 C ATOM 0 H5' DG C 6 10.166 5.730 22.015 1.00 23.57 H new ATOM 0 H5'' DG C 6 9.281 6.744 21.228 1.00 23.57 H new ATOM 0 H4' DG C 6 8.312 6.584 23.199 1.00 24.41 H new ATOM 0 H3' DG C 6 8.887 9.008 22.604 1.00 25.43 H new ATOM 0 H2' DG C 6 10.894 9.129 23.847 1.00 24.37 H new ATOM 0 H2'' DG C 6 9.876 9.739 24.859 1.00 24.37 H new ATOM 0 HO3' DG C 6 7.597 9.556 24.269 1.00 27.59 H new ATOM 0 H1' DG C 6 9.639 7.825 25.994 1.00 24.34 H new ATOM 0 H8 DG C 6 12.835 7.625 24.216 1.00 19.24 H new ATOM 0 H1 DG C 6 13.230 6.779 30.267 1.00 17.72 H new ATOM 0 H21 DG C 6 9.988 7.090 30.409 1.00 18.03 H new ATOM 0 H22 DG C 6 11.229 6.871 31.203 1.00 18.03 H new TER 285 DG C 6 ATOM 286 N GLU A 61 -4.372 -5.084 18.487 1.00 43.59 N ATOM 287 CA GLU A 61 -5.314 -5.412 17.378 1.00 42.05 C ATOM 288 C GLU A 61 -5.309 -6.909 17.089 1.00 41.21 C ATOM 289 O GLU A 61 -5.087 -7.725 17.985 1.00 42.05 O ATOM 290 CB GLU A 61 -4.928 -4.636 16.126 1.00 43.50 C ATOM 0 HA GLU A 61 -6.210 -5.157 17.649 1.00 42.05 H new ATOM 291 N GLU A 62 -5.562 -7.264 15.835 1.00 39.37 N ATOM 292 CA GLU A 62 -5.575 -8.661 15.427 1.00 37.26 C ATOM 293 C GLU A 62 -4.363 -8.954 14.548 1.00 32.82 C ATOM 294 O GLU A 62 -3.900 -8.089 13.804 1.00 33.05 O ATOM 295 CB GLU A 62 -6.868 -8.981 14.679 1.00 40.36 C ATOM 296 CG GLU A 62 -7.054 -8.206 13.394 1.00 45.83 C ATOM 297 CD GLU A 62 -8.482 -8.277 12.888 1.00 48.43 C ATOM 298 OE1 GLU A 62 -9.001 -9.403 12.728 1.00 50.83 O ATOM 299 OE2 GLU A 62 -9.083 -7.207 12.651 1.00 50.80 O ATOM 0 H GLU A 62 -5.730 -6.707 15.202 1.00 39.37 H new ATOM 0 HA GLU A 62 -5.532 -9.222 16.217 1.00 37.26 H new ATOM 0 HB2 GLU A 62 -6.886 -9.930 14.477 1.00 40.36 H new ATOM 0 HB3 GLU A 62 -7.620 -8.801 15.264 1.00 40.36 H new ATOM 0 HG2 GLU A 62 -6.809 -7.279 13.538 1.00 45.83 H new ATOM 0 HG3 GLU A 62 -6.454 -8.556 12.717 1.00 45.83 H new ATOM 300 N ILE A 63 -3.855 -10.177 14.643 1.00 28.24 N ATOM 301 CA ILE A 63 -2.683 -10.583 13.879 1.00 22.77 C ATOM 302 C ILE A 63 -2.954 -10.707 12.384 1.00 22.05 C ATOM 303 O ILE A 63 -3.945 -11.303 11.964 1.00 19.41 O ATOM 304 CB ILE A 63 -2.131 -11.936 14.387 1.00 22.24 C ATOM 305 CG1 ILE A 63 -1.715 -11.815 15.854 1.00 21.15 C ATOM 306 CG2 ILE A 63 -0.938 -12.366 13.541 1.00 20.66 C ATOM 307 CD1 ILE A 63 -1.308 -13.132 16.487 1.00 21.22 C ATOM 0 H ILE A 63 -4.178 -10.792 15.150 1.00 28.24 H new ATOM 0 HA ILE A 63 -2.031 -9.877 14.012 1.00 22.77 H new ATOM 0 HB ILE A 63 -2.828 -12.607 14.311 1.00 22.24 H new ATOM 0 HG12 ILE A 63 -0.975 -11.192 15.921 1.00 21.15 H new ATOM 0 HG13 ILE A 63 -2.451 -11.437 16.360 1.00 21.15 H new ATOM 0 HG21 ILE A 63 -0.599 -13.214 13.867 1.00 20.66 H new ATOM 0 HG22 ILE A 63 -1.215 -12.462 12.616 1.00 20.66 H new ATOM 0 HG23 ILE A 63 -0.240 -11.695 13.601 1.00 20.66 H new ATOM 0 HD11 ILE A 63 -1.058 -12.983 17.412 1.00 21.22 H new ATOM 0 HD12 ILE A 63 -2.052 -13.753 16.450 1.00 21.22 H new ATOM 0 HD13 ILE A 63 -0.553 -13.504 16.004 1.00 21.22 H new ATOM 308 N ILE A 64 -2.073 -10.120 11.585 1.00 18.94 N ATOM 309 CA ILE A 64 -2.191 -10.208 10.139 1.00 19.71 C ATOM 310 C ILE A 64 -1.299 -11.388 9.777 1.00 18.95 C ATOM 311 O ILE A 64 -0.088 -11.243 9.614 1.00 18.49 O ATOM 312 CB ILE A 64 -1.693 -8.920 9.456 1.00 21.37 C ATOM 313 CG1 ILE A 64 -2.604 -7.752 9.848 1.00 23.95 C ATOM 314 CG2 ILE A 64 -1.672 -9.104 7.944 1.00 21.27 C ATOM 315 CD1 ILE A 64 -2.183 -6.416 9.275 1.00 25.03 C ATOM 0 H ILE A 64 -1.398 -9.665 11.862 1.00 18.94 H new ATOM 0 HA ILE A 64 -3.109 -10.321 9.848 1.00 19.71 H new ATOM 0 HB ILE A 64 -0.789 -8.725 9.749 1.00 21.37 H new ATOM 0 HG12 ILE A 64 -3.508 -7.948 9.555 1.00 23.95 H new ATOM 0 HG13 ILE A 64 -2.628 -7.684 10.815 1.00 23.95 H new ATOM 0 HG21 ILE A 64 -1.357 -8.289 7.523 1.00 21.27 H new ATOM 0 HG22 ILE A 64 -1.078 -9.836 7.715 1.00 21.27 H new ATOM 0 HG23 ILE A 64 -2.567 -9.305 7.630 1.00 21.27 H new ATOM 0 HD11 ILE A 64 -2.804 -5.729 9.565 1.00 25.03 H new ATOM 0 HD12 ILE A 64 -1.291 -6.197 9.586 1.00 25.03 H new ATOM 0 HD13 ILE A 64 -2.184 -6.464 8.306 1.00 25.03 H new ATOM 316 N TRP A 65 -1.907 -12.566 9.679 1.00 18.43 N ATOM 317 CA TRP A 65 -1.172 -13.786 9.381 1.00 18.64 C ATOM 318 C TRP A 65 -0.488 -13.791 8.025 1.00 18.68 C ATOM 319 O TRP A 65 0.544 -14.437 7.859 1.00 18.06 O ATOM 320 CB TRP A 65 -2.095 -14.999 9.522 1.00 20.29 C ATOM 321 CG TRP A 65 -2.588 -15.164 10.928 1.00 20.17 C ATOM 322 CD1 TRP A 65 -3.815 -14.813 11.417 1.00 20.91 C ATOM 323 CD2 TRP A 65 -1.836 -15.655 12.044 1.00 20.55 C ATOM 324 NE1 TRP A 65 -3.872 -15.053 12.771 1.00 19.26 N ATOM 325 CE2 TRP A 65 -2.671 -15.568 13.181 1.00 19.60 C ATOM 326 CE3 TRP A 65 -0.536 -16.157 12.194 1.00 20.52 C ATOM 327 CZ2 TRP A 65 -2.247 -15.966 14.453 1.00 21.14 C ATOM 328 CZ3 TRP A 65 -0.113 -16.553 13.462 1.00 20.99 C ATOM 329 CH2 TRP A 65 -0.970 -16.452 14.576 1.00 18.64 C ATOM 0 H TRP A 65 -2.753 -12.679 9.783 1.00 18.43 H new ATOM 0 HA TRP A 65 -0.454 -13.833 10.032 1.00 18.64 H new ATOM 0 HB2 TRP A 65 -2.852 -14.901 8.923 1.00 20.29 H new ATOM 0 HB3 TRP A 65 -1.620 -15.800 9.250 1.00 20.29 H new ATOM 0 HD1 TRP A 65 -4.511 -14.463 10.909 1.00 20.91 H new ATOM 0 HE1 TRP A 65 -4.551 -14.904 13.277 1.00 19.26 H new ATOM 0 HE3 TRP A 65 0.033 -16.225 11.462 1.00 20.52 H new ATOM 0 HZ2 TRP A 65 -2.811 -15.903 15.190 1.00 21.14 H new ATOM 0 HZ3 TRP A 65 0.747 -16.889 13.574 1.00 20.99 H new ATOM 0 HH2 TRP A 65 -0.664 -16.720 15.412 1.00 18.64 H new ATOM 330 N GLU A 66 -1.060 -13.072 7.065 1.00 20.19 N ATOM 331 CA GLU A 66 -0.481 -12.979 5.728 1.00 20.55 C ATOM 332 C GLU A 66 0.610 -11.923 5.848 1.00 18.04 C ATOM 333 O GLU A 66 0.424 -10.771 5.456 1.00 18.96 O ATOM 334 CB GLU A 66 -1.553 -12.539 4.723 1.00 20.92 C ATOM 335 CG GLU A 66 -1.119 -12.567 3.262 1.00 22.88 C ATOM 336 CD GLU A 66 -2.282 -12.324 2.303 1.00 24.77 C ATOM 337 OE1 GLU A 66 -3.277 -13.078 2.372 1.00 27.66 O ATOM 338 OE2 GLU A 66 -2.201 -11.386 1.482 1.00 19.22 O ATOM 0 H GLU A 66 -1.789 -12.627 7.168 1.00 20.19 H new ATOM 0 HA GLU A 66 -0.130 -13.827 5.414 1.00 20.55 H new ATOM 0 HB2 GLU A 66 -2.329 -13.112 4.827 1.00 20.92 H new ATOM 0 HB3 GLU A 66 -1.835 -11.638 4.945 1.00 20.92 H new ATOM 0 HG2 GLU A 66 -0.437 -11.892 3.117 1.00 22.88 H new ATOM 0 HG3 GLU A 66 -0.714 -13.426 3.064 1.00 22.88 H new ATOM 339 N SER A 67 1.749 -12.322 6.407 1.00 16.48 N ATOM 340 CA SER A 67 2.850 -11.391 6.619 1.00 13.49 C ATOM 341 C SER A 67 4.185 -12.097 6.822 1.00 12.42 C ATOM 342 O SER A 67 4.259 -13.323 6.880 1.00 12.25 O ATOM 343 CB SER A 67 2.567 -10.549 7.860 1.00 14.58 C ATOM 344 OG SER A 67 2.476 -11.389 9.004 1.00 13.46 O ATOM 0 H SER A 67 1.903 -13.126 6.670 1.00 16.48 H new ATOM 0 HA SER A 67 2.915 -10.843 5.821 1.00 13.49 H new ATOM 0 HB2 SER A 67 3.272 -9.895 7.984 1.00 14.58 H new ATOM 0 HB3 SER A 67 1.740 -10.056 7.744 1.00 14.58 H new ATOM 0 HG SER A 67 1.684 -11.395 9.285 1.00 13.46 H new ATOM 345 N LEU A 68 5.234 -11.292 6.955 1.00 10.85 N ATOM 346 CA LEU A 68 6.581 -11.789 7.187 1.00 12.12 C ATOM 347 C LEU A 68 7.008 -11.336 8.580 1.00 12.78 C ATOM 348 O LEU A 68 6.848 -10.166 8.927 1.00 16.23 O ATOM 349 CB LEU A 68 7.538 -11.207 6.137 1.00 13.62 C ATOM 350 CG LEU A 68 9.041 -11.464 6.286 1.00 17.40 C ATOM 351 CD1 LEU A 68 9.346 -12.928 6.004 1.00 17.93 C ATOM 352 CD2 LEU A 68 9.812 -10.569 5.312 1.00 17.81 C ATOM 0 H LEU A 68 5.181 -10.435 6.912 1.00 10.85 H new ATOM 0 HA LEU A 68 6.603 -12.756 7.121 1.00 12.12 H new ATOM 0 HB2 LEU A 68 7.266 -11.548 5.271 1.00 13.62 H new ATOM 0 HB3 LEU A 68 7.405 -10.246 6.118 1.00 13.62 H new ATOM 0 HG LEU A 68 9.315 -11.257 7.193 1.00 17.40 H new ATOM 0 HD11 LEU A 68 10.298 -13.085 6.100 1.00 17.93 H new ATOM 0 HD12 LEU A 68 8.862 -13.486 6.632 1.00 17.93 H new ATOM 0 HD13 LEU A 68 9.072 -13.147 5.100 1.00 17.93 H new ATOM 0 HD21 LEU A 68 10.764 -10.732 5.407 1.00 17.81 H new ATOM 0 HD22 LEU A 68 9.539 -10.769 4.403 1.00 17.81 H new ATOM 0 HD23 LEU A 68 9.623 -9.638 5.509 1.00 17.81 H new ATOM 353 N SER A 69 7.530 -12.257 9.384 1.00 11.70 N ATOM 354 CA SER A 69 7.996 -11.925 10.731 1.00 11.31 C ATOM 355 C SER A 69 9.511 -12.089 10.774 1.00 11.36 C ATOM 356 O SER A 69 10.047 -13.086 10.293 1.00 10.10 O ATOM 357 CB SER A 69 7.351 -12.841 11.774 1.00 13.01 C ATOM 358 OG SER A 69 5.970 -12.555 11.929 1.00 11.66 O ATOM 0 H SER A 69 7.624 -13.084 9.169 1.00 11.70 H new ATOM 0 HA SER A 69 7.747 -11.011 10.938 1.00 11.31 H new ATOM 0 HB2 SER A 69 7.464 -13.767 11.508 1.00 13.01 H new ATOM 0 HB3 SER A 69 7.803 -12.734 12.625 1.00 13.01 H new ATOM 0 HG SER A 69 5.547 -12.844 11.263 1.00 11.66 H new ATOM 359 N VAL A 70 10.199 -11.108 11.349 1.00 11.71 N ATOM 360 CA VAL A 70 11.656 -11.164 11.419 1.00 9.89 C ATOM 361 C VAL A 70 12.170 -11.000 12.845 1.00 10.52 C ATOM 362 O VAL A 70 11.487 -10.453 13.708 1.00 11.45 O ATOM 363 CB VAL A 70 12.297 -10.068 10.533 1.00 9.73 C ATOM 364 CG1 VAL A 70 11.815 -10.212 9.093 1.00 9.95 C ATOM 365 CG2 VAL A 70 11.939 -8.684 11.074 1.00 9.61 C ATOM 0 H VAL A 70 9.846 -10.407 11.702 1.00 11.71 H new ATOM 0 HA VAL A 70 11.910 -12.042 11.095 1.00 9.89 H new ATOM 0 HB VAL A 70 13.261 -10.171 10.551 1.00 9.73 H new ATOM 0 HG11 VAL A 70 12.221 -9.522 8.545 1.00 9.95 H new ATOM 0 HG12 VAL A 70 12.067 -11.085 8.753 1.00 9.95 H new ATOM 0 HG13 VAL A 70 10.850 -10.121 9.064 1.00 9.95 H new ATOM 0 HG21 VAL A 70 12.344 -8.003 10.514 1.00 9.61 H new ATOM 0 HG22 VAL A 70 10.975 -8.574 11.070 1.00 9.61 H new ATOM 0 HG23 VAL A 70 12.271 -8.595 11.981 1.00 9.61 H new ATOM 366 N ASP A 71 13.385 -11.475 13.090 1.00 10.37 N ATOM 367 CA ASP A 71 13.969 -11.360 14.414 1.00 9.95 C ATOM 368 C ASP A 71 15.466 -11.619 14.372 1.00 11.58 C ATOM 369 O ASP A 71 15.991 -12.220 13.431 1.00 11.88 O ATOM 370 CB ASP A 71 13.294 -12.347 15.374 1.00 11.14 C ATOM 371 CG ASP A 71 13.634 -12.080 16.831 1.00 12.30 C ATOM 372 OD1 ASP A 71 13.996 -10.929 17.174 1.00 10.25 O ATOM 373 OD2 ASP A 71 13.515 -13.025 17.641 1.00 13.65 O ATOM 0 H ASP A 71 13.883 -11.864 12.507 1.00 10.37 H new ATOM 0 HA ASP A 71 13.825 -10.455 14.732 1.00 9.95 H new ATOM 0 HB2 ASP A 71 12.332 -12.299 15.257 1.00 11.14 H new ATOM 0 HB3 ASP A 71 13.563 -13.250 15.144 1.00 11.14 H new ATOM 374 N VAL A 72 16.142 -11.152 15.410 1.00 11.43 N ATOM 375 CA VAL A 72 17.577 -11.317 15.540 1.00 11.22 C ATOM 376 C VAL A 72 17.857 -12.399 16.574 1.00 13.44 C ATOM 377 O VAL A 72 17.039 -12.659 17.456 1.00 11.62 O ATOM 378 CB VAL A 72 18.234 -10.006 16.017 1.00 12.05 C ATOM 379 CG1 VAL A 72 17.758 -9.676 17.427 1.00 12.43 C ATOM 380 CG2 VAL A 72 19.750 -10.130 15.980 1.00 11.84 C ATOM 0 H VAL A 72 15.777 -10.727 16.063 1.00 11.43 H new ATOM 0 HA VAL A 72 17.942 -11.561 14.675 1.00 11.22 H new ATOM 0 HB VAL A 72 17.974 -9.286 15.421 1.00 12.05 H new ATOM 0 HG11 VAL A 72 18.173 -8.851 17.724 1.00 12.43 H new ATOM 0 HG12 VAL A 72 16.794 -9.571 17.427 1.00 12.43 H new ATOM 0 HG13 VAL A 72 18.004 -10.396 18.029 1.00 12.43 H new ATOM 0 HG21 VAL A 72 20.150 -9.300 16.282 1.00 11.84 H new ATOM 0 HG22 VAL A 72 20.030 -10.854 16.562 1.00 11.84 H new ATOM 0 HG23 VAL A 72 20.038 -10.316 15.072 1.00 11.84 H new ATOM 381 N GLY A 73 19.014 -13.031 16.439 1.00 13.25 N ATOM 382 CA GLY A 73 19.443 -14.052 17.376 1.00 14.11 C ATOM 383 C GLY A 73 20.885 -13.695 17.665 1.00 13.84 C ATOM 384 O GLY A 73 21.595 -13.274 16.756 1.00 14.57 O ATOM 0 H GLY A 73 19.571 -12.879 15.802 1.00 13.25 H new ATOM 0 HA2 GLY A 73 18.905 -14.043 18.183 1.00 14.11 H new ATOM 0 HA3 GLY A 73 19.366 -14.940 16.994 1.00 14.11 H new ATOM 385 N SER A 74 21.326 -13.825 18.910 1.00 14.32 N ATOM 386 CA SER A 74 22.709 -13.491 19.219 1.00 13.61 C ATOM 387 C SER A 74 23.283 -14.348 20.326 1.00 14.53 C ATOM 388 O SER A 74 22.558 -15.035 21.047 1.00 14.04 O ATOM 389 CB SER A 74 22.834 -12.023 19.642 1.00 13.52 C ATOM 390 OG SER A 74 22.551 -11.859 21.028 1.00 13.13 O ATOM 0 H SER A 74 20.854 -14.098 19.575 1.00 14.32 H new ATOM 0 HA SER A 74 23.210 -13.657 18.405 1.00 13.61 H new ATOM 0 HB2 SER A 74 23.731 -11.705 19.453 1.00 13.52 H new ATOM 0 HB3 SER A 74 22.224 -11.480 19.119 1.00 13.52 H new ATOM 0 HG SER A 74 23.233 -11.566 21.421 1.00 13.13 H new ATOM 391 N GLN A 75 24.605 -14.308 20.432 1.00 14.33 N ATOM 392 CA GLN A 75 25.331 -15.006 21.479 1.00 16.04 C ATOM 393 C GLN A 75 26.119 -13.852 22.070 1.00 15.44 C ATOM 394 O GLN A 75 27.191 -13.497 21.574 1.00 16.41 O ATOM 395 CB GLN A 75 26.273 -16.065 20.906 1.00 19.16 C ATOM 396 CG GLN A 75 27.092 -16.772 21.976 1.00 23.50 C ATOM 397 CD GLN A 75 27.910 -17.919 21.427 1.00 27.08 C ATOM 398 OE1 GLN A 75 27.363 -18.906 20.934 1.00 30.70 O ATOM 399 NE2 GLN A 75 29.229 -17.795 21.505 1.00 29.89 N ATOM 0 H GLN A 75 25.110 -13.870 19.891 1.00 14.33 H new ATOM 0 HA GLN A 75 24.769 -15.491 22.103 1.00 16.04 H new ATOM 0 HB2 GLN A 75 25.754 -16.722 20.416 1.00 19.16 H new ATOM 0 HB3 GLN A 75 26.874 -15.646 20.270 1.00 19.16 H new ATOM 0 HG2 GLN A 75 27.685 -16.131 22.399 1.00 23.50 H new ATOM 0 HG3 GLN A 75 26.496 -17.106 22.665 1.00 23.50 H new ATOM 0 HE21 GLN A 75 29.575 -17.090 21.856 1.00 29.89 H new ATOM 0 HE22 GLN A 75 29.738 -18.419 21.204 1.00 29.89 H new ATOM 400 N GLY A 76 25.550 -13.248 23.109 1.00 16.02 N ATOM 401 CA GLY A 76 26.164 -12.093 23.737 1.00 16.03 C ATOM 402 C GLY A 76 25.606 -10.846 23.073 1.00 14.55 C ATOM 403 O GLY A 76 25.008 -10.931 21.999 1.00 14.88 O ATOM 0 H GLY A 76 24.806 -13.495 23.463 1.00 16.02 H new ATOM 0 HA2 GLY A 76 25.975 -12.084 24.688 1.00 16.03 H new ATOM 0 HA3 GLY A 76 27.128 -12.127 23.639 1.00 16.03 H new ATOM 404 N ASN A 77 25.773 -9.692 23.708 1.00 12.83 N ATOM 405 CA ASN A 77 25.297 -8.435 23.141 1.00 12.22 C ATOM 406 C ASN A 77 26.089 -7.291 23.752 1.00 12.41 C ATOM 407 O ASN A 77 25.841 -6.900 24.891 1.00 13.79 O ATOM 408 CB ASN A 77 23.800 -8.225 23.414 1.00 11.47 C ATOM 409 CG ASN A 77 23.275 -6.941 22.790 1.00 12.58 C ATOM 410 OD1 ASN A 77 23.709 -6.549 21.706 1.00 14.28 O ATOM 411 ND2 ASN A 77 22.332 -6.287 23.463 1.00 13.31 N ATOM 0 H ASN A 77 26.161 -9.614 24.472 1.00 12.83 H new ATOM 0 HA ASN A 77 25.423 -8.463 22.180 1.00 12.22 H new ATOM 0 HB2 ASN A 77 23.301 -8.980 23.065 1.00 11.47 H new ATOM 0 HB3 ASN A 77 23.648 -8.203 24.372 1.00 11.47 H new ATOM 0 HD21 ASN A 77 22.001 -5.560 23.143 1.00 13.31 H new ATOM 0 HD22 ASN A 77 22.053 -6.591 24.218 1.00 13.31 H new ATOM 412 N PRO A 78 27.061 -6.743 23.002 1.00 12.77 N ATOM 413 CA PRO A 78 27.443 -7.140 21.640 1.00 13.41 C ATOM 414 C PRO A 78 27.991 -8.561 21.569 1.00 14.69 C ATOM 415 O PRO A 78 28.652 -9.031 22.499 1.00 14.83 O ATOM 416 CB PRO A 78 28.511 -6.114 21.261 1.00 13.95 C ATOM 417 CG PRO A 78 28.192 -4.934 22.124 1.00 13.89 C ATOM 418 CD PRO A 78 27.843 -5.576 23.437 1.00 14.61 C ATOM 0 HA PRO A 78 26.683 -7.149 21.038 1.00 13.41 H new ATOM 0 HB2 PRO A 78 29.405 -6.450 21.433 1.00 13.95 H new ATOM 0 HB3 PRO A 78 28.469 -5.888 20.319 1.00 13.95 H new ATOM 0 HG2 PRO A 78 28.948 -4.332 22.206 1.00 13.89 H new ATOM 0 HG3 PRO A 78 27.454 -4.415 21.768 1.00 13.89 H new ATOM 0 HD2 PRO A 78 28.633 -5.833 23.938 1.00 14.61 H new ATOM 0 HD3 PRO A 78 27.327 -4.984 24.006 1.00 14.61 H new ATOM 419 N GLY A 79 27.725 -9.237 20.456 1.00 12.98 N ATOM 420 CA GLY A 79 28.206 -10.594 20.286 1.00 13.92 C ATOM 421 C GLY A 79 27.923 -11.092 18.886 1.00 14.40 C ATOM 422 O GLY A 79 27.733 -10.292 17.969 1.00 13.90 O ATOM 0 H GLY A 79 27.271 -8.928 19.794 1.00 12.98 H new ATOM 0 HA2 GLY A 79 29.160 -10.628 20.459 1.00 13.92 H new ATOM 0 HA3 GLY A 79 27.779 -11.177 20.934 1.00 13.92 H new ATOM 423 N ILE A 80 27.910 -12.409 18.713 1.00 14.88 N ATOM 424 CA ILE A 80 27.635 -12.991 17.404 1.00 13.99 C ATOM 425 C ILE A 80 26.171 -12.717 17.098 1.00 13.32 C ATOM 426 O ILE A 80 25.305 -12.957 17.933 1.00 14.64 O ATOM 427 CB ILE A 80 27.883 -14.509 17.403 1.00 15.92 C ATOM 428 CG1 ILE A 80 29.338 -14.795 17.790 1.00 18.37 C ATOM 429 CG2 ILE A 80 27.591 -15.084 16.021 1.00 18.18 C ATOM 430 CD1 ILE A 80 29.644 -16.268 17.970 1.00 19.87 C ATOM 0 H ILE A 80 28.057 -12.981 19.338 1.00 14.88 H new ATOM 0 HA ILE A 80 28.222 -12.601 16.738 1.00 13.99 H new ATOM 0 HB ILE A 80 27.293 -14.928 18.049 1.00 15.92 H new ATOM 0 HG12 ILE A 80 29.923 -14.433 17.106 1.00 18.37 H new ATOM 0 HG13 ILE A 80 29.542 -14.328 18.615 1.00 18.37 H new ATOM 0 HG21 ILE A 80 27.750 -16.041 16.028 1.00 18.18 H new ATOM 0 HG22 ILE A 80 26.665 -14.912 15.788 1.00 18.18 H new ATOM 0 HG23 ILE A 80 28.172 -14.665 15.367 1.00 18.18 H new ATOM 0 HD11 ILE A 80 30.577 -16.378 18.213 1.00 19.87 H new ATOM 0 HD12 ILE A 80 29.082 -16.632 18.672 1.00 19.87 H new ATOM 0 HD13 ILE A 80 29.469 -16.739 17.140 1.00 19.87 H new ATOM 431 N VAL A 81 25.898 -12.211 15.901 1.00 13.04 N ATOM 432 CA VAL A 81 24.534 -11.886 15.519 1.00 13.34 C ATOM 433 C VAL A 81 24.105 -12.494 14.192 1.00 13.67 C ATOM 434 O VAL A 81 24.882 -12.574 13.245 1.00 12.78 O ATOM 435 CB VAL A 81 24.349 -10.344 15.431 1.00 16.00 C ATOM 436 CG1 VAL A 81 22.986 -10.003 14.848 1.00 19.33 C ATOM 437 CG2 VAL A 81 24.499 -9.720 16.811 1.00 15.69 C ATOM 0 H VAL A 81 26.489 -12.049 15.297 1.00 13.04 H new ATOM 0 HA VAL A 81 23.974 -12.269 16.212 1.00 13.34 H new ATOM 0 HB VAL A 81 25.034 -9.984 14.846 1.00 16.00 H new ATOM 0 HG11 VAL A 81 22.886 -9.039 14.800 1.00 19.33 H new ATOM 0 HG12 VAL A 81 22.911 -10.380 13.958 1.00 19.33 H new ATOM 0 HG13 VAL A 81 22.290 -10.372 15.414 1.00 19.33 H new ATOM 0 HG21 VAL A 81 24.382 -8.759 16.746 1.00 15.69 H new ATOM 0 HG22 VAL A 81 23.828 -10.088 17.407 1.00 15.69 H new ATOM 0 HG23 VAL A 81 25.383 -9.915 17.160 1.00 15.69 H new ATOM 438 N GLU A 82 22.854 -12.928 14.138 1.00 13.92 N ATOM 439 CA GLU A 82 22.289 -13.473 12.915 1.00 14.28 C ATOM 440 C GLU A 82 20.824 -13.086 12.947 1.00 13.61 C ATOM 441 O GLU A 82 20.348 -12.532 13.938 1.00 14.39 O ATOM 442 CB GLU A 82 22.442 -14.997 12.852 1.00 16.12 C ATOM 443 CG GLU A 82 21.575 -15.779 13.820 1.00 21.23 C ATOM 444 CD GLU A 82 21.451 -17.239 13.420 1.00 28.08 C ATOM 445 OE1 GLU A 82 20.843 -17.517 12.362 1.00 31.07 O ATOM 446 OE2 GLU A 82 21.963 -18.107 14.154 1.00 29.59 O ATOM 0 H GLU A 82 22.312 -12.915 14.805 1.00 13.92 H new ATOM 0 HA GLU A 82 22.745 -13.126 12.132 1.00 14.28 H new ATOM 0 HB2 GLU A 82 22.238 -15.290 11.950 1.00 16.12 H new ATOM 0 HB3 GLU A 82 23.371 -15.221 13.020 1.00 16.12 H new ATOM 0 HG2 GLU A 82 21.952 -15.720 14.712 1.00 21.23 H new ATOM 0 HG3 GLU A 82 20.692 -15.379 13.858 1.00 21.23 H new ATOM 447 N TYR A 83 20.110 -13.338 11.860 1.00 12.69 N ATOM 448 CA TYR A 83 18.693 -13.011 11.828 1.00 11.22 C ATOM 449 C TYR A 83 17.999 -13.874 10.800 1.00 10.84 C ATOM 450 O TYR A 83 18.649 -14.503 9.965 1.00 13.01 O ATOM 451 CB TYR A 83 18.475 -11.518 11.508 1.00 11.35 C ATOM 452 CG TYR A 83 18.890 -11.062 10.118 1.00 12.20 C ATOM 453 CD1 TYR A 83 18.153 -11.427 8.985 1.00 9.87 C ATOM 454 CD2 TYR A 83 20.012 -10.254 9.940 1.00 12.94 C ATOM 455 CE1 TYR A 83 18.526 -10.999 7.711 1.00 11.43 C ATOM 456 CE2 TYR A 83 20.395 -9.821 8.671 1.00 12.27 C ATOM 457 CZ TYR A 83 19.649 -10.197 7.564 1.00 12.71 C ATOM 458 OH TYR A 83 20.035 -9.777 6.311 1.00 15.06 O ATOM 0 H TYR A 83 20.420 -13.692 11.140 1.00 12.69 H new ATOM 0 HA TYR A 83 18.315 -13.185 12.704 1.00 11.22 H new ATOM 0 HB2 TYR A 83 17.534 -11.315 11.627 1.00 11.35 H new ATOM 0 HB3 TYR A 83 18.964 -10.992 12.160 1.00 11.35 H new ATOM 0 HD1 TYR A 83 17.401 -11.965 9.084 1.00 9.87 H new ATOM 0 HD2 TYR A 83 20.514 -9.999 10.680 1.00 12.94 H new ATOM 0 HE1 TYR A 83 18.027 -11.249 6.967 1.00 11.43 H new ATOM 0 HE2 TYR A 83 21.147 -9.283 8.568 1.00 12.27 H new ATOM 0 HH TYR A 83 20.725 -9.302 6.375 1.00 15.06 H new ATOM 459 N LYS A 84 16.677 -13.922 10.881 1.00 10.77 N ATOM 460 CA LYS A 84 15.908 -14.696 9.931 1.00 11.32 C ATOM 461 C LYS A 84 14.517 -14.119 9.763 1.00 11.79 C ATOM 462 O LYS A 84 14.054 -13.316 10.577 1.00 10.62 O ATOM 463 CB LYS A 84 15.816 -16.170 10.356 1.00 13.88 C ATOM 464 CG LYS A 84 15.045 -16.455 11.635 1.00 16.41 C ATOM 465 CD LYS A 84 14.939 -17.967 11.843 1.00 18.36 C ATOM 466 CE LYS A 84 14.164 -18.331 13.103 1.00 21.32 C ATOM 467 NZ LYS A 84 14.909 -18.007 14.355 1.00 22.48 N ATOM 0 H LYS A 84 16.211 -13.514 11.477 1.00 10.77 H new ATOM 0 HA LYS A 84 16.370 -14.651 9.079 1.00 11.32 H new ATOM 0 HB2 LYS A 84 15.404 -16.670 9.634 1.00 13.88 H new ATOM 0 HB3 LYS A 84 16.717 -16.514 10.461 1.00 13.88 H new ATOM 0 HG2 LYS A 84 15.493 -16.046 12.392 1.00 16.41 H new ATOM 0 HG3 LYS A 84 14.159 -16.063 11.584 1.00 16.41 H new ATOM 0 HD2 LYS A 84 14.505 -18.366 11.073 1.00 18.36 H new ATOM 0 HD3 LYS A 84 15.830 -18.346 11.894 1.00 18.36 H new ATOM 0 HE2 LYS A 84 13.317 -17.858 13.104 1.00 21.32 H new ATOM 0 HE3 LYS A 84 13.960 -19.279 13.089 1.00 21.32 H new ATOM 0 HZ1 LYS A 84 15.050 -18.754 14.819 1.00 22.48 H new ATOM 0 HZ2 LYS A 84 15.690 -17.635 14.148 1.00 22.48 H new ATOM 0 HZ3 LYS A 84 14.431 -17.439 14.846 1.00 22.48 H new ATOM 468 N GLY A 85 13.874 -14.521 8.675 1.00 11.86 N ATOM 469 CA GLY A 85 12.530 -14.073 8.383 1.00 10.10 C ATOM 470 C GLY A 85 11.713 -15.320 8.145 1.00 11.92 C ATOM 471 O GLY A 85 12.187 -16.255 7.498 1.00 12.26 O ATOM 0 H GLY A 85 14.206 -15.058 8.091 1.00 11.86 H new ATOM 0 HA2 GLY A 85 12.169 -13.558 9.121 1.00 10.10 H new ATOM 0 HA3 GLY A 85 12.519 -13.497 7.603 1.00 10.10 H new ATOM 472 N VAL A 86 10.497 -15.352 8.677 1.00 12.33 N ATOM 473 CA VAL A 86 9.642 -16.520 8.504 1.00 13.21 C ATOM 474 C VAL A 86 8.225 -16.122 8.126 1.00 12.58 C ATOM 475 O VAL A 86 7.813 -14.984 8.336 1.00 13.03 O ATOM 476 CB VAL A 86 9.568 -17.358 9.805 1.00 13.09 C ATOM 477 CG1 VAL A 86 10.971 -17.652 10.315 1.00 13.03 C ATOM 478 CG2 VAL A 86 8.755 -16.626 10.864 1.00 13.15 C ATOM 0 H VAL A 86 10.150 -14.714 9.138 1.00 12.33 H new ATOM 0 HA VAL A 86 10.038 -17.045 7.791 1.00 13.21 H new ATOM 0 HB VAL A 86 9.125 -18.199 9.611 1.00 13.09 H new ATOM 0 HG11 VAL A 86 10.916 -18.177 11.129 1.00 13.03 H new ATOM 0 HG12 VAL A 86 11.462 -18.150 9.643 1.00 13.03 H new ATOM 0 HG13 VAL A 86 11.430 -16.818 10.499 1.00 13.03 H new ATOM 0 HG21 VAL A 86 8.718 -17.162 11.671 1.00 13.15 H new ATOM 0 HG22 VAL A 86 9.173 -15.774 11.062 1.00 13.15 H new ATOM 0 HG23 VAL A 86 7.855 -16.475 10.535 1.00 13.15 H new ATOM 479 N ASP A 87 7.483 -17.067 7.558 1.00 12.74 N ATOM 480 CA ASP A 87 6.095 -16.815 7.204 1.00 15.35 C ATOM 481 C ASP A 87 5.372 -16.835 8.542 1.00 15.12 C ATOM 482 O ASP A 87 5.428 -17.826 9.266 1.00 17.83 O ATOM 483 CB ASP A 87 5.561 -17.923 6.293 1.00 17.52 C ATOM 484 CG ASP A 87 4.106 -17.709 5.903 1.00 20.48 C ATOM 485 OD1 ASP A 87 3.230 -17.787 6.786 1.00 22.72 O ATOM 486 OD2 ASP A 87 3.841 -17.457 4.711 1.00 26.41 O ATOM 0 H ASP A 87 7.765 -17.858 7.370 1.00 12.74 H new ATOM 0 HA ASP A 87 5.976 -15.982 6.721 1.00 15.35 H new ATOM 0 HB2 ASP A 87 6.104 -17.967 5.491 1.00 17.52 H new ATOM 0 HB3 ASP A 87 5.649 -18.778 6.743 1.00 17.52 H new ATOM 487 N THR A 88 4.714 -15.731 8.876 1.00 15.13 N ATOM 488 CA THR A 88 4.008 -15.610 10.148 1.00 16.46 C ATOM 489 C THR A 88 2.996 -16.721 10.416 1.00 18.89 C ATOM 490 O THR A 88 2.834 -17.161 11.551 1.00 20.12 O ATOM 491 CB THR A 88 3.280 -14.258 10.234 1.00 15.55 C ATOM 492 OG1 THR A 88 4.229 -13.201 10.057 1.00 12.62 O ATOM 493 CG2 THR A 88 2.600 -14.096 11.581 1.00 14.38 C ATOM 0 H THR A 88 4.663 -15.034 8.375 1.00 15.13 H new ATOM 0 HA THR A 88 4.699 -15.682 10.825 1.00 16.46 H new ATOM 0 HB THR A 88 2.604 -14.225 9.539 1.00 15.55 H new ATOM 0 HG1 THR A 88 3.848 -12.537 9.713 1.00 12.62 H new ATOM 0 HG21 THR A 88 2.148 -13.239 11.614 1.00 14.38 H new ATOM 0 HG22 THR A 88 1.953 -14.808 11.705 1.00 14.38 H new ATOM 0 HG23 THR A 88 3.265 -14.138 12.286 1.00 14.38 H new ATOM 494 N LYS A 89 2.317 -17.173 9.373 1.00 21.98 N ATOM 495 CA LYS A 89 1.314 -18.212 9.544 1.00 24.77 C ATOM 496 C LYS A 89 1.893 -19.606 9.767 1.00 25.61 C ATOM 497 O LYS A 89 1.530 -20.288 10.723 1.00 26.56 O ATOM 498 CB LYS A 89 0.381 -18.246 8.333 1.00 26.89 C ATOM 499 CG LYS A 89 -0.776 -19.219 8.494 1.00 31.64 C ATOM 500 CD LYS A 89 -1.567 -19.373 7.211 1.00 33.60 C ATOM 501 CE LYS A 89 -2.808 -20.224 7.442 1.00 35.65 C ATOM 502 NZ LYS A 89 -2.489 -21.532 8.079 1.00 36.06 N ATOM 0 H LYS A 89 2.420 -16.895 8.566 1.00 21.98 H new ATOM 0 HA LYS A 89 0.829 -17.978 10.351 1.00 24.77 H new ATOM 0 HB2 LYS A 89 0.028 -17.356 8.179 1.00 26.89 H new ATOM 0 HB3 LYS A 89 0.892 -18.488 7.545 1.00 26.89 H new ATOM 0 HG2 LYS A 89 -0.435 -20.084 8.769 1.00 31.64 H new ATOM 0 HG3 LYS A 89 -1.364 -18.908 9.201 1.00 31.64 H new ATOM 0 HD2 LYS A 89 -1.826 -18.499 6.878 1.00 33.60 H new ATOM 0 HD3 LYS A 89 -1.011 -19.782 6.530 1.00 33.60 H new ATOM 0 HE2 LYS A 89 -3.431 -19.737 8.004 1.00 35.65 H new ATOM 0 HE3 LYS A 89 -3.253 -20.380 6.594 1.00 35.65 H new ATOM 0 HZ1 LYS A 89 -3.206 -22.059 8.051 1.00 36.06 H new ATOM 0 HZ2 LYS A 89 -1.819 -21.920 7.641 1.00 36.06 H new ATOM 0 HZ3 LYS A 89 -2.251 -21.400 8.926 1.00 36.06 H new ATOM 503 N THR A 90 2.802 -20.018 8.892 1.00 25.41 N ATOM 504 CA THR A 90 3.393 -21.351 8.965 1.00 25.78 C ATOM 505 C THR A 90 4.705 -21.483 9.732 1.00 25.90 C ATOM 506 O THR A 90 5.052 -22.572 10.194 1.00 26.85 O ATOM 507 CB THR A 90 3.625 -21.898 7.556 1.00 25.88 C ATOM 508 OG1 THR A 90 4.664 -21.143 6.919 1.00 25.73 O ATOM 509 CG2 THR A 90 2.351 -21.779 6.730 1.00 25.72 C ATOM 0 H THR A 90 3.093 -19.537 8.242 1.00 25.41 H new ATOM 0 HA THR A 90 2.738 -21.857 9.471 1.00 25.78 H new ATOM 0 HB THR A 90 3.881 -22.832 7.619 1.00 25.88 H new ATOM 0 HG1 THR A 90 4.905 -21.535 6.216 1.00 25.73 H new ATOM 0 HG21 THR A 90 2.509 -22.128 5.839 1.00 25.72 H new ATOM 0 HG22 THR A 90 1.641 -22.286 7.155 1.00 25.72 H new ATOM 0 HG23 THR A 90 2.090 -20.847 6.670 1.00 25.72 H new ATOM 510 N GLY A 91 5.443 -20.388 9.862 1.00 23.19 N ATOM 511 CA GLY A 91 6.710 -20.453 10.563 1.00 22.67 C ATOM 512 C GLY A 91 7.825 -20.877 9.625 1.00 22.40 C ATOM 513 O GLY A 91 8.983 -21.000 10.033 1.00 22.39 O ATOM 0 H GLY A 91 5.231 -19.612 9.557 1.00 23.19 H new ATOM 0 HA2 GLY A 91 6.917 -19.586 10.947 1.00 22.67 H new ATOM 0 HA3 GLY A 91 6.645 -21.081 11.299 1.00 22.67 H new ATOM 514 N GLU A 92 7.480 -21.109 8.362 1.00 21.23 N ATOM 515 CA GLU A 92 8.473 -21.504 7.372 1.00 20.68 C ATOM 516 C GLU A 92 9.558 -20.434 7.283 1.00 19.83 C ATOM 517 O GLU A 92 9.257 -19.250 7.164 1.00 18.03 O ATOM 518 CB GLU A 92 7.821 -21.682 5.999 1.00 22.58 C ATOM 519 CG GLU A 92 8.820 -21.682 4.851 1.00 26.61 C ATOM 520 CD GLU A 92 8.164 -21.830 3.491 1.00 29.46 C ATOM 521 OE1 GLU A 92 7.131 -21.171 3.245 1.00 32.19 O ATOM 522 OE2 GLU A 92 8.694 -22.597 2.663 1.00 31.17 O ATOM 0 H GLU A 92 6.678 -21.043 8.060 1.00 21.23 H new ATOM 0 HA GLU A 92 8.865 -22.349 7.644 1.00 20.68 H new ATOM 0 HB2 GLU A 92 7.327 -22.517 5.989 1.00 22.58 H new ATOM 0 HB3 GLU A 92 7.178 -20.970 5.859 1.00 22.58 H new ATOM 0 HG2 GLU A 92 9.327 -20.856 4.871 1.00 26.61 H new ATOM 0 HG3 GLU A 92 9.452 -22.406 4.980 1.00 26.61 H new ATOM 523 N VAL A 93 10.815 -20.860 7.340 1.00 19.18 N ATOM 524 CA VAL A 93 11.939 -19.935 7.266 1.00 16.98 C ATOM 525 C VAL A 93 12.174 -19.539 5.813 1.00 16.23 C ATOM 526 O VAL A 93 12.482 -20.382 4.970 1.00 19.13 O ATOM 527 CB VAL A 93 13.221 -20.570 7.836 1.00 17.38 C ATOM 528 CG1 VAL A 93 14.359 -19.565 7.804 1.00 18.17 C ATOM 529 CG2 VAL A 93 12.970 -21.043 9.259 1.00 17.56 C ATOM 0 H VAL A 93 11.039 -21.686 7.422 1.00 19.18 H new ATOM 0 HA VAL A 93 11.724 -19.151 7.796 1.00 16.98 H new ATOM 0 HB VAL A 93 13.469 -21.333 7.291 1.00 17.38 H new ATOM 0 HG11 VAL A 93 15.162 -19.973 8.165 1.00 18.17 H new ATOM 0 HG12 VAL A 93 14.521 -19.288 6.889 1.00 18.17 H new ATOM 0 HG13 VAL A 93 14.122 -18.791 8.338 1.00 18.17 H new ATOM 0 HG21 VAL A 93 13.779 -21.442 9.615 1.00 17.56 H new ATOM 0 HG22 VAL A 93 12.713 -20.288 9.811 1.00 17.56 H new ATOM 0 HG23 VAL A 93 12.257 -21.701 9.260 1.00 17.56 H new ATOM 530 N LEU A 94 12.021 -18.247 5.534 1.00 14.46 N ATOM 531 CA LEU A 94 12.188 -17.704 4.192 1.00 15.58 C ATOM 532 C LEU A 94 13.608 -17.226 3.917 1.00 15.13 C ATOM 533 O LEU A 94 14.069 -17.263 2.779 1.00 16.56 O ATOM 534 CB LEU A 94 11.196 -16.559 3.973 1.00 15.69 C ATOM 535 CG LEU A 94 9.774 -16.887 3.500 1.00 20.13 C ATOM 536 CD1 LEU A 94 9.459 -18.364 3.650 1.00 19.99 C ATOM 537 CD2 LEU A 94 8.792 -16.023 4.271 1.00 19.50 C ATOM 0 H LEU A 94 11.815 -17.657 6.125 1.00 14.46 H new ATOM 0 HA LEU A 94 12.011 -18.425 3.567 1.00 15.58 H new ATOM 0 HB2 LEU A 94 11.122 -16.072 4.809 1.00 15.69 H new ATOM 0 HB3 LEU A 94 11.587 -15.952 3.325 1.00 15.69 H new ATOM 0 HG LEU A 94 9.699 -16.690 2.553 1.00 20.13 H new ATOM 0 HD11 LEU A 94 8.555 -18.535 3.343 1.00 19.99 H new ATOM 0 HD12 LEU A 94 10.084 -18.884 3.121 1.00 19.99 H new ATOM 0 HD13 LEU A 94 9.536 -18.618 4.583 1.00 19.99 H new ATOM 0 HD21 LEU A 94 7.888 -16.222 3.980 1.00 19.50 H new ATOM 0 HD22 LEU A 94 8.874 -16.208 5.220 1.00 19.50 H new ATOM 0 HD23 LEU A 94 8.986 -15.087 4.106 1.00 19.50 H new ATOM 538 N PHE A 95 14.294 -16.759 4.954 1.00 13.28 N ATOM 539 CA PHE A 95 15.671 -16.314 4.800 1.00 14.17 C ATOM 540 C PHE A 95 16.402 -16.279 6.130 1.00 14.30 C ATOM 541 O PHE A 95 15.791 -16.137 7.186 1.00 14.41 O ATOM 542 CB PHE A 95 15.743 -14.943 4.096 1.00 12.66 C ATOM 543 CG PHE A 95 15.070 -13.815 4.837 1.00 13.96 C ATOM 544 CD1 PHE A 95 15.651 -13.251 5.972 1.00 14.15 C ATOM 545 CD2 PHE A 95 13.881 -13.276 4.359 1.00 13.76 C ATOM 546 CE1 PHE A 95 15.057 -12.159 6.614 1.00 13.40 C ATOM 547 CE2 PHE A 95 13.280 -12.187 4.994 1.00 14.43 C ATOM 548 CZ PHE A 95 13.870 -11.628 6.122 1.00 13.32 C ATOM 0 H PHE A 95 13.981 -16.692 5.752 1.00 13.28 H new ATOM 0 HA PHE A 95 16.119 -16.964 4.236 1.00 14.17 H new ATOM 0 HB2 PHE A 95 16.675 -14.712 3.959 1.00 12.66 H new ATOM 0 HB3 PHE A 95 15.339 -15.023 3.218 1.00 12.66 H new ATOM 0 HD1 PHE A 95 16.443 -13.605 6.306 1.00 14.15 H new ATOM 0 HD2 PHE A 95 13.480 -13.646 3.606 1.00 13.76 H new ATOM 0 HE1 PHE A 95 15.455 -11.789 7.368 1.00 13.40 H new ATOM 0 HE2 PHE A 95 12.485 -11.836 4.662 1.00 14.43 H new ATOM 0 HZ PHE A 95 13.472 -10.902 6.546 1.00 13.32 H new ATOM 549 N GLU A 96 17.717 -16.444 6.074 1.00 15.07 N ATOM 550 CA GLU A 96 18.527 -16.433 7.277 1.00 17.05 C ATOM 551 C GLU A 96 19.909 -15.907 6.934 1.00 17.00 C ATOM 552 O GLU A 96 20.504 -16.307 5.929 1.00 17.37 O ATOM 553 CB GLU A 96 18.617 -17.843 7.873 1.00 21.70 C ATOM 554 CG GLU A 96 19.440 -17.918 9.153 1.00 28.13 C ATOM 555 CD GLU A 96 19.126 -19.147 9.987 1.00 31.70 C ATOM 556 OE1 GLU A 96 19.045 -20.255 9.416 1.00 35.10 O ATOM 557 OE2 GLU A 96 18.969 -19.004 11.219 1.00 33.09 O ATOM 0 H GLU A 96 18.158 -16.564 5.346 1.00 15.07 H new ATOM 0 HA GLU A 96 18.118 -15.855 7.940 1.00 17.05 H new ATOM 0 HB2 GLU A 96 17.721 -18.166 8.055 1.00 21.70 H new ATOM 0 HB3 GLU A 96 19.005 -18.440 7.214 1.00 21.70 H new ATOM 0 HG2 GLU A 96 20.383 -17.919 8.926 1.00 28.13 H new ATOM 0 HG3 GLU A 96 19.277 -17.123 9.684 1.00 28.13 H new ATOM 558 N ARG A 97 20.403 -14.993 7.764 1.00 14.50 N ATOM 559 CA ARG A 97 21.712 -14.388 7.557 1.00 14.66 C ATOM 560 C ARG A 97 22.820 -15.153 8.266 1.00 14.67 C ATOM 561 O ARG A 97 22.678 -15.553 9.419 1.00 14.35 O ATOM 562 CB ARG A 97 21.703 -12.939 8.054 1.00 12.86 C ATOM 563 CG ARG A 97 23.086 -12.324 8.242 1.00 15.13 C ATOM 564 CD ARG A 97 23.787 -12.053 6.917 1.00 15.33 C ATOM 565 NE ARG A 97 25.242 -12.134 7.046 1.00 17.77 N ATOM 566 CZ ARG A 97 26.100 -11.711 6.122 1.00 19.95 C ATOM 567 NH1 ARG A 97 25.651 -11.166 4.998 1.00 20.73 N ATOM 568 NH2 ARG A 97 27.406 -11.852 6.311 1.00 21.74 N ATOM 0 H ARG A 97 19.989 -14.707 8.461 1.00 14.50 H new ATOM 0 HA ARG A 97 21.892 -14.416 6.604 1.00 14.66 H new ATOM 0 HB2 ARG A 97 21.204 -12.396 7.424 1.00 12.86 H new ATOM 0 HB3 ARG A 97 21.228 -12.902 8.899 1.00 12.86 H new ATOM 0 HG2 ARG A 97 23.003 -11.494 8.737 1.00 15.13 H new ATOM 0 HG3 ARG A 97 23.632 -12.920 8.778 1.00 15.13 H new ATOM 0 HD2 ARG A 97 23.485 -12.694 6.254 1.00 15.33 H new ATOM 0 HD3 ARG A 97 23.539 -11.172 6.594 1.00 15.33 H new ATOM 0 HE ARG A 97 25.563 -12.477 7.766 1.00 17.77 H new ATOM 0 HH11 ARG A 97 24.805 -11.086 4.867 1.00 20.73 H new ATOM 0 HH12 ARG A 97 26.206 -10.893 4.401 1.00 20.73 H new ATOM 0 HH21 ARG A 97 27.699 -12.218 7.032 1.00 21.74 H new ATOM 0 HH22 ARG A 97 27.959 -11.578 5.712 1.00 21.74 H new ATOM 569 N GLU A 98 23.925 -15.355 7.558 1.00 13.93 N ATOM 570 CA GLU A 98 25.079 -16.042 8.111 1.00 15.19 C ATOM 571 C GLU A 98 25.556 -15.240 9.317 1.00 14.39 C ATOM 572 O GLU A 98 25.607 -14.011 9.269 1.00 15.77 O ATOM 573 CB GLU A 98 26.173 -16.104 7.051 1.00 15.71 C ATOM 574 CG GLU A 98 27.500 -16.659 7.513 1.00 19.46 C ATOM 575 CD GLU A 98 28.517 -16.613 6.396 1.00 22.24 C ATOM 576 OE1 GLU A 98 28.305 -17.304 5.377 1.00 20.11 O ATOM 577 OE2 GLU A 98 29.514 -15.872 6.527 1.00 25.83 O ATOM 0 H GLU A 98 24.025 -15.097 6.744 1.00 13.93 H new ATOM 0 HA GLU A 98 24.856 -16.947 8.380 1.00 15.19 H new ATOM 0 HB2 GLU A 98 25.854 -16.645 6.312 1.00 15.71 H new ATOM 0 HB3 GLU A 98 26.318 -15.209 6.706 1.00 15.71 H new ATOM 0 HG2 GLU A 98 27.823 -16.148 8.272 1.00 19.46 H new ATOM 0 HG3 GLU A 98 27.386 -17.574 7.815 1.00 19.46 H new ATOM 578 N PRO A 99 25.906 -15.927 10.416 1.00 15.21 N ATOM 579 CA PRO A 99 26.376 -15.261 11.633 1.00 15.48 C ATOM 580 C PRO A 99 27.479 -14.239 11.399 1.00 15.12 C ATOM 581 O PRO A 99 28.419 -14.473 10.637 1.00 15.97 O ATOM 582 CB PRO A 99 26.846 -16.424 12.499 1.00 16.50 C ATOM 583 CG PRO A 99 25.899 -17.512 12.118 1.00 17.37 C ATOM 584 CD PRO A 99 25.834 -17.385 10.614 1.00 15.89 C ATOM 0 HA PRO A 99 25.678 -14.726 12.041 1.00 15.48 H new ATOM 0 HB2 PRO A 99 27.767 -16.665 12.312 1.00 16.50 H new ATOM 0 HB3 PRO A 99 26.794 -16.214 13.445 1.00 16.50 H new ATOM 0 HG2 PRO A 99 26.223 -18.384 12.392 1.00 17.37 H new ATOM 0 HG3 PRO A 99 25.028 -17.391 12.528 1.00 17.37 H new ATOM 0 HD2 PRO A 99 26.569 -17.845 10.180 1.00 15.89 H new ATOM 0 HD3 PRO A 99 25.014 -17.759 10.255 1.00 15.89 H new ATOM 585 N ILE A 100 27.343 -13.102 12.070 1.00 14.80 N ATOM 586 CA ILE A 100 28.299 -12.010 11.992 1.00 15.70 C ATOM 587 C ILE A 100 29.007 -12.016 13.348 1.00 15.61 C ATOM 588 O ILE A 100 28.359 -11.955 14.393 1.00 15.41 O ATOM 589 CB ILE A 100 27.557 -10.681 11.777 1.00 15.60 C ATOM 590 CG1 ILE A 100 26.699 -10.783 10.510 1.00 15.68 C ATOM 591 CG2 ILE A 100 28.551 -9.536 11.674 1.00 16.87 C ATOM 592 CD1 ILE A 100 25.494 -9.863 10.502 1.00 15.38 C ATOM 0 H ILE A 100 26.679 -12.942 12.593 1.00 14.80 H new ATOM 0 HA ILE A 100 28.922 -12.111 11.256 1.00 15.70 H new ATOM 0 HB ILE A 100 26.977 -10.503 12.534 1.00 15.60 H new ATOM 0 HG12 ILE A 100 27.252 -10.582 9.739 1.00 15.68 H new ATOM 0 HG13 ILE A 100 26.395 -11.699 10.410 1.00 15.68 H new ATOM 0 HG21 ILE A 100 28.073 -8.703 11.539 1.00 16.87 H new ATOM 0 HG22 ILE A 100 29.068 -9.482 12.493 1.00 16.87 H new ATOM 0 HG23 ILE A 100 29.147 -9.691 10.925 1.00 16.87 H new ATOM 0 HD11 ILE A 100 25.002 -9.982 9.675 1.00 15.38 H new ATOM 0 HD12 ILE A 100 24.919 -10.076 11.254 1.00 15.38 H new ATOM 0 HD13 ILE A 100 25.789 -8.942 10.573 1.00 15.38 H new ATOM 593 N PRO A 101 30.349 -12.106 13.346 1.00 17.41 N ATOM 594 CA PRO A 101 31.178 -12.136 14.554 1.00 17.93 C ATOM 595 C PRO A 101 30.805 -11.202 15.700 1.00 16.42 C ATOM 596 O PRO A 101 30.699 -11.640 16.845 1.00 17.32 O ATOM 597 CB PRO A 101 32.576 -11.867 14.011 1.00 18.48 C ATOM 598 CG PRO A 101 32.540 -12.610 12.714 1.00 21.03 C ATOM 599 CD PRO A 101 31.196 -12.183 12.141 1.00 18.20 C ATOM 0 HA PRO A 101 31.065 -12.987 15.005 1.00 17.93 H new ATOM 0 HB2 PRO A 101 32.742 -10.920 13.885 1.00 18.48 H new ATOM 0 HB3 PRO A 101 33.268 -12.200 14.603 1.00 18.48 H new ATOM 0 HG2 PRO A 101 33.277 -12.363 12.134 1.00 21.03 H new ATOM 0 HG3 PRO A 101 32.591 -13.570 12.844 1.00 21.03 H new ATOM 0 HD2 PRO A 101 31.253 -11.329 11.684 1.00 18.20 H new ATOM 0 HD3 PRO A 101 30.855 -12.826 11.500 1.00 18.20 H new ATOM 600 N ILE A 102 30.620 -9.921 15.405 1.00 15.69 N ATOM 601 CA ILE A 102 30.267 -8.963 16.447 1.00 15.83 C ATOM 602 C ILE A 102 29.252 -7.941 15.962 1.00 15.42 C ATOM 603 O ILE A 102 29.435 -7.306 14.926 1.00 16.38 O ATOM 604 CB ILE A 102 31.505 -8.196 16.946 1.00 18.12 C ATOM 605 CG1 ILE A 102 32.529 -9.182 17.500 1.00 19.60 C ATOM 606 CG2 ILE A 102 31.092 -7.185 18.011 1.00 17.66 C ATOM 607 CD1 ILE A 102 33.875 -8.571 17.785 1.00 24.61 C ATOM 0 H ILE A 102 30.693 -9.587 14.616 1.00 15.69 H new ATOM 0 HA ILE A 102 29.882 -9.486 17.168 1.00 15.83 H new ATOM 0 HB ILE A 102 31.909 -7.714 16.208 1.00 18.12 H new ATOM 0 HG12 ILE A 102 32.181 -9.571 18.318 1.00 19.60 H new ATOM 0 HG13 ILE A 102 32.641 -9.908 16.866 1.00 19.60 H new ATOM 0 HG21 ILE A 102 31.875 -6.704 18.322 1.00 17.66 H new ATOM 0 HG22 ILE A 102 30.457 -6.557 17.632 1.00 17.66 H new ATOM 0 HG23 ILE A 102 30.681 -7.650 18.757 1.00 17.66 H new ATOM 0 HD11 ILE A 102 34.472 -9.252 18.133 1.00 24.61 H new ATOM 0 HD12 ILE A 102 34.244 -8.205 16.966 1.00 24.61 H new ATOM 0 HD13 ILE A 102 33.777 -7.862 18.440 1.00 24.61 H new ATOM 608 N GLY A 103 28.184 -7.786 16.732 1.00 12.43 N ATOM 609 CA GLY A 103 27.151 -6.835 16.385 1.00 14.13 C ATOM 610 C GLY A 103 26.241 -6.689 17.582 1.00 12.60 C ATOM 611 O GLY A 103 26.459 -7.342 18.601 1.00 14.08 O ATOM 0 H GLY A 103 28.042 -8.223 17.459 1.00 12.43 H new ATOM 0 HA2 GLY A 103 27.542 -5.979 16.148 1.00 14.13 H new ATOM 0 HA3 GLY A 103 26.651 -7.142 15.613 1.00 14.13 H new ATOM 612 N THR A 104 25.232 -5.832 17.476 1.00 11.68 N ATOM 613 CA THR A 104 24.303 -5.648 18.582 1.00 10.93 C ATOM 614 C THR A 104 22.934 -6.191 18.211 1.00 10.63 C ATOM 615 O THR A 104 22.633 -6.430 17.038 1.00 10.94 O ATOM 616 CB THR A 104 24.121 -4.165 18.954 1.00 10.03 C ATOM 617 OG1 THR A 104 23.475 -3.478 17.875 1.00 10.13 O ATOM 618 CG2 THR A 104 25.470 -3.512 19.249 1.00 11.32 C ATOM 0 H THR A 104 25.069 -5.353 16.781 1.00 11.68 H new ATOM 0 HA THR A 104 24.681 -6.123 19.338 1.00 10.93 H new ATOM 0 HB THR A 104 23.573 -4.109 19.752 1.00 10.03 H new ATOM 0 HG1 THR A 104 23.386 -2.666 18.073 1.00 10.13 H new ATOM 0 HG21 THR A 104 25.335 -2.580 19.481 1.00 11.32 H new ATOM 0 HG22 THR A 104 25.897 -3.970 19.990 1.00 11.32 H new ATOM 0 HG23 THR A 104 26.037 -3.570 18.464 1.00 11.32 H new ATOM 619 N ASN A 105 22.111 -6.382 19.230 1.00 11.17 N ATOM 620 CA ASN A 105 20.755 -6.870 19.045 1.00 11.48 C ATOM 621 C ASN A 105 19.972 -5.941 18.119 1.00 11.20 C ATOM 622 O ASN A 105 19.321 -6.392 17.178 1.00 11.56 O ATOM 623 CB ASN A 105 20.056 -6.966 20.412 1.00 11.55 C ATOM 624 CG ASN A 105 19.958 -5.619 21.130 1.00 14.85 C ATOM 625 OD1 ASN A 105 20.864 -4.789 21.051 1.00 11.93 O ATOM 626 ND2 ASN A 105 18.857 -5.409 21.854 1.00 14.12 N ATOM 0 H ASN A 105 22.323 -6.232 20.050 1.00 11.17 H new ATOM 0 HA ASN A 105 20.789 -7.749 18.636 1.00 11.48 H new ATOM 0 HB2 ASN A 105 19.164 -7.327 20.289 1.00 11.55 H new ATOM 0 HB3 ASN A 105 20.540 -7.592 20.974 1.00 11.55 H new ATOM 0 HD21 ASN A 105 18.761 -4.672 22.287 1.00 14.12 H new ATOM 0 HD22 ASN A 105 18.243 -6.010 21.887 1.00 14.12 H new ATOM 627 N ASN A 106 20.050 -4.641 18.383 1.00 10.62 N ATOM 628 CA ASN A 106 19.326 -3.662 17.585 1.00 10.66 C ATOM 629 C ASN A 106 19.819 -3.584 16.141 1.00 9.50 C ATOM 630 O ASN A 106 19.026 -3.392 15.223 1.00 10.06 O ATOM 631 CB ASN A 106 19.394 -2.288 18.260 1.00 9.07 C ATOM 632 CG ASN A 106 18.716 -2.278 19.626 1.00 11.51 C ATOM 633 OD1 ASN A 106 17.683 -2.922 19.824 1.00 11.57 O ATOM 634 ND2 ASN A 106 19.285 -1.533 20.568 1.00 12.11 N ATOM 0 H ASN A 106 20.518 -4.306 19.022 1.00 10.62 H new ATOM 0 HA ASN A 106 18.403 -3.956 17.539 1.00 10.66 H new ATOM 0 HB2 ASN A 106 20.322 -2.025 18.360 1.00 9.07 H new ATOM 0 HB3 ASN A 106 18.973 -1.628 17.688 1.00 9.07 H new ATOM 0 HD21 ASN A 106 18.933 -1.487 21.351 1.00 12.11 H new ATOM 0 HD22 ASN A 106 20.006 -1.097 20.394 1.00 12.11 H new ATOM 635 N MET A 107 21.122 -3.724 15.928 1.00 10.57 N ATOM 636 CA MET A 107 21.628 -3.704 14.565 1.00 10.40 C ATOM 637 C MET A 107 21.039 -4.902 13.830 1.00 9.81 C ATOM 638 O MET A 107 20.619 -4.789 12.682 1.00 11.17 O ATOM 639 CB MET A 107 23.153 -3.783 14.550 1.00 11.04 C ATOM 640 CG MET A 107 23.821 -2.507 15.031 1.00 12.22 C ATOM 641 SD MET A 107 25.591 -2.754 15.245 1.00 18.67 S ATOM 642 CE MET A 107 26.262 -1.653 14.011 1.00 16.38 C ATOM 0 H MET A 107 21.715 -3.829 16.542 1.00 10.57 H new ATOM 0 HA MET A 107 21.371 -2.875 14.132 1.00 10.40 H new ATOM 0 HB2 MET A 107 23.439 -4.522 15.110 1.00 11.04 H new ATOM 0 HB3 MET A 107 23.452 -3.978 13.648 1.00 11.04 H new ATOM 0 HG2 MET A 107 23.665 -1.794 14.392 1.00 12.22 H new ATOM 0 HG3 MET A 107 23.425 -2.227 15.871 1.00 12.22 H new ATOM 0 HE1 MET A 107 27.134 -1.339 14.297 1.00 16.38 H new ATOM 0 HE2 MET A 107 26.349 -2.126 13.168 1.00 16.38 H new ATOM 0 HE3 MET A 107 25.668 -0.895 13.896 1.00 16.38 H new ATOM 643 N GLY A 108 21.002 -6.049 14.506 1.00 9.52 N ATOM 644 CA GLY A 108 20.455 -7.250 13.900 1.00 11.32 C ATOM 645 C GLY A 108 18.970 -7.117 13.606 1.00 11.50 C ATOM 646 O GLY A 108 18.503 -7.533 12.547 1.00 10.36 O ATOM 0 H GLY A 108 21.288 -6.148 15.311 1.00 9.52 H new ATOM 0 HA2 GLY A 108 20.931 -7.441 13.076 1.00 11.32 H new ATOM 0 HA3 GLY A 108 20.600 -8.004 14.492 1.00 11.32 H new ATOM 647 N GLU A 109 18.222 -6.546 14.545 1.00 10.84 N ATOM 648 CA GLU A 109 16.787 -6.347 14.357 1.00 10.08 C ATOM 649 C GLU A 109 16.566 -5.436 13.149 1.00 10.17 C ATOM 650 O GLU A 109 15.635 -5.635 12.367 1.00 9.25 O ATOM 651 CB GLU A 109 16.170 -5.712 15.611 1.00 10.05 C ATOM 652 CG GLU A 109 16.194 -6.615 16.846 1.00 11.72 C ATOM 653 CD GLU A 109 14.949 -7.478 16.985 1.00 12.12 C ATOM 654 OE1 GLU A 109 14.293 -7.760 15.961 1.00 12.26 O ATOM 655 OE2 GLU A 109 14.633 -7.884 18.124 1.00 10.51 O ATOM 0 H GLU A 109 18.526 -6.266 15.299 1.00 10.84 H new ATOM 0 HA GLU A 109 16.359 -7.204 14.204 1.00 10.08 H new ATOM 0 HB2 GLU A 109 16.646 -4.891 15.813 1.00 10.05 H new ATOM 0 HB3 GLU A 109 15.251 -5.467 15.419 1.00 10.05 H new ATOM 0 HG2 GLU A 109 16.975 -7.189 16.804 1.00 11.72 H new ATOM 0 HG3 GLU A 109 16.289 -6.065 17.639 1.00 11.72 H new ATOM 656 N PHE A 110 17.437 -4.440 13.008 1.00 10.09 N ATOM 657 CA PHE A 110 17.378 -3.481 11.904 1.00 10.57 C ATOM 658 C PHE A 110 17.659 -4.173 10.569 1.00 9.98 C ATOM 659 O PHE A 110 16.891 -4.047 9.618 1.00 9.67 O ATOM 660 CB PHE A 110 18.413 -2.373 12.141 1.00 11.47 C ATOM 661 CG PHE A 110 18.575 -1.423 10.986 1.00 9.46 C ATOM 662 CD1 PHE A 110 17.588 -0.491 10.690 1.00 11.41 C ATOM 663 CD2 PHE A 110 19.727 -1.450 10.207 1.00 10.79 C ATOM 664 CE1 PHE A 110 17.745 0.413 9.633 1.00 11.19 C ATOM 665 CE2 PHE A 110 19.897 -0.554 9.148 1.00 11.65 C ATOM 666 CZ PHE A 110 18.901 0.380 8.861 1.00 11.77 C ATOM 0 H PHE A 110 18.086 -4.299 13.555 1.00 10.09 H new ATOM 0 HA PHE A 110 16.487 -3.099 11.868 1.00 10.57 H new ATOM 0 HB2 PHE A 110 18.157 -1.868 12.929 1.00 11.47 H new ATOM 0 HB3 PHE A 110 19.271 -2.782 12.333 1.00 11.47 H new ATOM 0 HD1 PHE A 110 16.812 -0.467 11.202 1.00 11.41 H new ATOM 0 HD2 PHE A 110 20.393 -2.072 10.393 1.00 10.79 H new ATOM 0 HE1 PHE A 110 17.078 1.034 9.448 1.00 11.19 H new ATOM 0 HE2 PHE A 110 20.673 -0.580 8.636 1.00 11.65 H new ATOM 0 HZ PHE A 110 19.010 0.978 8.157 1.00 11.77 H new ATOM 667 N LEU A 111 18.768 -4.902 10.503 1.00 8.98 N ATOM 668 CA LEU A 111 19.137 -5.614 9.284 1.00 9.75 C ATOM 669 C LEU A 111 18.063 -6.612 8.862 1.00 9.49 C ATOM 670 O LEU A 111 17.857 -6.849 7.672 1.00 9.67 O ATOM 671 CB LEU A 111 20.458 -6.356 9.492 1.00 9.83 C ATOM 672 CG LEU A 111 21.692 -5.475 9.693 1.00 11.04 C ATOM 673 CD1 LEU A 111 22.893 -6.358 9.996 1.00 13.50 C ATOM 674 CD2 LEU A 111 21.939 -4.643 8.439 1.00 11.25 C ATOM 0 H LEU A 111 19.322 -4.998 11.154 1.00 8.98 H new ATOM 0 HA LEU A 111 19.231 -4.954 8.580 1.00 9.75 H new ATOM 0 HB2 LEU A 111 20.366 -6.935 10.264 1.00 9.83 H new ATOM 0 HB3 LEU A 111 20.612 -6.929 8.725 1.00 9.83 H new ATOM 0 HG LEU A 111 21.549 -4.871 10.439 1.00 11.04 H new ATOM 0 HD11 LEU A 111 23.678 -5.803 10.124 1.00 13.50 H new ATOM 0 HD12 LEU A 111 22.724 -6.869 10.803 1.00 13.50 H new ATOM 0 HD13 LEU A 111 23.044 -6.965 9.255 1.00 13.50 H new ATOM 0 HD21 LEU A 111 22.722 -4.085 8.569 1.00 11.25 H new ATOM 0 HD22 LEU A 111 22.085 -5.233 7.683 1.00 11.25 H new ATOM 0 HD23 LEU A 111 21.168 -4.081 8.266 1.00 11.25 H new ATOM 675 N ALA A 112 17.387 -7.205 9.841 1.00 9.31 N ATOM 676 CA ALA A 112 16.349 -8.182 9.540 1.00 8.93 C ATOM 677 C ALA A 112 15.181 -7.523 8.819 1.00 8.52 C ATOM 678 O ALA A 112 14.657 -8.069 7.851 1.00 9.08 O ATOM 679 CB ALA A 112 15.869 -8.860 10.825 1.00 9.71 C ATOM 0 H ALA A 112 17.513 -7.057 10.679 1.00 9.31 H new ATOM 0 HA ALA A 112 16.726 -8.857 8.954 1.00 8.93 H new ATOM 0 HB1 ALA A 112 15.179 -9.507 10.611 1.00 9.71 H new ATOM 0 HB2 ALA A 112 16.614 -9.311 11.251 1.00 9.71 H new ATOM 0 HB3 ALA A 112 15.509 -8.192 11.429 1.00 9.71 H new ATOM 680 N ILE A 113 14.767 -6.351 9.291 1.00 8.45 N ATOM 681 CA ILE A 113 13.657 -5.656 8.642 1.00 7.68 C ATOM 682 C ILE A 113 14.042 -5.218 7.230 1.00 7.70 C ATOM 683 O ILE A 113 13.292 -5.425 6.275 1.00 8.68 O ATOM 684 CB ILE A 113 13.226 -4.399 9.429 1.00 7.69 C ATOM 685 CG1 ILE A 113 12.707 -4.801 10.812 1.00 9.94 C ATOM 686 CG2 ILE A 113 12.160 -3.637 8.643 1.00 9.37 C ATOM 687 CD1 ILE A 113 12.418 -3.609 11.731 1.00 10.55 C ATOM 0 H ILE A 113 15.106 -5.947 9.971 1.00 8.45 H new ATOM 0 HA ILE A 113 12.920 -6.285 8.612 1.00 7.68 H new ATOM 0 HB ILE A 113 13.991 -3.815 9.551 1.00 7.69 H new ATOM 0 HG12 ILE A 113 11.895 -5.322 10.706 1.00 9.94 H new ATOM 0 HG13 ILE A 113 13.360 -5.378 11.239 1.00 9.94 H new ATOM 0 HG21 ILE A 113 11.892 -2.849 9.141 1.00 9.37 H new ATOM 0 HG22 ILE A 113 12.521 -3.369 7.784 1.00 9.37 H new ATOM 0 HG23 ILE A 113 11.389 -4.209 8.505 1.00 9.37 H new ATOM 0 HD11 ILE A 113 12.094 -3.931 12.587 1.00 10.55 H new ATOM 0 HD12 ILE A 113 13.232 -3.099 11.865 1.00 10.55 H new ATOM 0 HD13 ILE A 113 11.745 -3.042 11.324 1.00 10.55 H new ATOM 688 N VAL A 114 15.212 -4.607 7.087 1.00 9.15 N ATOM 689 CA VAL A 114 15.620 -4.143 5.768 1.00 10.08 C ATOM 690 C VAL A 114 15.727 -5.304 4.794 1.00 10.66 C ATOM 691 O VAL A 114 15.318 -5.186 3.642 1.00 9.20 O ATOM 692 CB VAL A 114 16.958 -3.368 5.820 1.00 10.45 C ATOM 693 CG1 VAL A 114 17.387 -2.969 4.410 1.00 12.12 C ATOM 694 CG2 VAL A 114 16.792 -2.118 6.672 1.00 10.23 C ATOM 0 H VAL A 114 15.771 -4.454 7.722 1.00 9.15 H new ATOM 0 HA VAL A 114 14.933 -3.533 5.456 1.00 10.08 H new ATOM 0 HB VAL A 114 17.638 -3.939 6.210 1.00 10.45 H new ATOM 0 HG11 VAL A 114 18.226 -2.484 4.452 1.00 12.12 H new ATOM 0 HG12 VAL A 114 17.501 -3.766 3.869 1.00 12.12 H new ATOM 0 HG13 VAL A 114 16.707 -2.403 4.012 1.00 12.12 H new ATOM 0 HG21 VAL A 114 17.632 -1.634 6.703 1.00 10.23 H new ATOM 0 HG22 VAL A 114 16.107 -1.551 6.285 1.00 10.23 H new ATOM 0 HG23 VAL A 114 16.532 -2.371 7.571 1.00 10.23 H new ATOM 695 N HIS A 115 16.257 -6.434 5.252 1.00 10.53 N ATOM 696 CA HIS A 115 16.371 -7.578 4.366 1.00 10.37 C ATOM 697 C HIS A 115 14.966 -8.041 3.989 1.00 11.35 C ATOM 698 O HIS A 115 14.719 -8.451 2.855 1.00 9.77 O ATOM 699 CB HIS A 115 17.119 -8.730 5.028 1.00 10.43 C ATOM 700 CG HIS A 115 17.535 -9.787 4.058 1.00 11.93 C ATOM 701 ND1 HIS A 115 18.562 -9.600 3.158 1.00 14.96 N ATOM 702 CD2 HIS A 115 17.015 -11.007 3.787 1.00 11.66 C ATOM 703 CE1 HIS A 115 18.655 -10.658 2.373 1.00 12.94 C ATOM 704 NE2 HIS A 115 17.727 -11.526 2.733 1.00 14.23 N ATOM 0 H HIS A 115 16.549 -6.555 6.052 1.00 10.53 H new ATOM 0 HA HIS A 115 16.872 -7.311 3.580 1.00 10.37 H new ATOM 0 HB2 HIS A 115 17.905 -8.383 5.478 1.00 10.43 H new ATOM 0 HB3 HIS A 115 16.554 -9.127 5.709 1.00 10.43 H new ATOM 0 HD1 HIS A 115 19.064 -8.903 3.114 1.00 14.96 H new ATOM 0 HD2 HIS A 115 16.308 -11.417 4.231 1.00 11.66 H new ATOM 0 HE1 HIS A 115 19.269 -10.772 1.684 1.00 12.94 H new ATOM 705 N GLY A 116 14.055 -7.982 4.955 1.00 10.96 N ATOM 706 CA GLY A 116 12.679 -8.366 4.695 1.00 11.11 C ATOM 707 C GLY A 116 12.081 -7.452 3.639 1.00 11.07 C ATOM 708 O GLY A 116 11.341 -7.901 2.765 1.00 11.59 O ATOM 0 H GLY A 116 14.214 -7.724 5.760 1.00 10.96 H new ATOM 0 HA2 GLY A 116 12.643 -9.288 4.395 1.00 11.11 H new ATOM 0 HA3 GLY A 116 12.160 -8.313 5.512 1.00 11.11 H new ATOM 709 N LEU A 117 12.397 -6.162 3.716 1.00 9.90 N ATOM 710 CA LEU A 117 11.884 -5.211 2.737 1.00 10.74 C ATOM 711 C LEU A 117 12.390 -5.576 1.350 1.00 11.29 C ATOM 712 O LEU A 117 11.625 -5.609 0.387 1.00 11.06 O ATOM 713 CB LEU A 117 12.337 -3.787 3.070 1.00 10.37 C ATOM 714 CG LEU A 117 11.652 -3.089 4.247 1.00 9.21 C ATOM 715 CD1 LEU A 117 12.334 -1.761 4.512 1.00 12.23 C ATOM 716 CD2 LEU A 117 10.178 -2.874 3.938 1.00 11.56 C ATOM 0 H LEU A 117 12.902 -5.820 4.322 1.00 9.90 H new ATOM 0 HA LEU A 117 10.915 -5.248 2.760 1.00 10.74 H new ATOM 0 HB2 LEU A 117 13.290 -3.809 3.248 1.00 10.37 H new ATOM 0 HB3 LEU A 117 12.209 -3.239 2.280 1.00 10.37 H new ATOM 0 HG LEU A 117 11.723 -3.646 5.038 1.00 9.21 H new ATOM 0 HD11 LEU A 117 11.901 -1.318 5.258 1.00 12.23 H new ATOM 0 HD12 LEU A 117 13.268 -1.913 4.725 1.00 12.23 H new ATOM 0 HD13 LEU A 117 12.270 -1.201 3.722 1.00 12.23 H new ATOM 0 HD21 LEU A 117 9.751 -2.431 4.688 1.00 11.56 H new ATOM 0 HD22 LEU A 117 10.091 -2.322 3.145 1.00 11.56 H new ATOM 0 HD23 LEU A 117 9.751 -3.731 3.783 1.00 11.56 H new ATOM 717 N ARG A 118 13.687 -5.849 1.253 1.00 11.50 N ATOM 718 CA ARG A 118 14.284 -6.196 -0.031 1.00 11.34 C ATOM 719 C ARG A 118 13.748 -7.530 -0.553 1.00 11.21 C ATOM 720 O ARG A 118 13.540 -7.700 -1.756 1.00 11.52 O ATOM 721 CB ARG A 118 15.812 -6.226 0.108 1.00 11.90 C ATOM 722 CG ARG A 118 16.357 -4.890 0.613 1.00 14.67 C ATOM 723 CD ARG A 118 17.869 -4.878 0.756 1.00 14.45 C ATOM 724 NE ARG A 118 18.537 -5.027 -0.532 1.00 18.44 N ATOM 725 CZ ARG A 118 19.852 -4.961 -0.696 1.00 19.37 C ATOM 726 NH1 ARG A 118 20.640 -4.748 0.350 1.00 20.07 N ATOM 727 NH2 ARG A 118 20.379 -5.100 -1.907 1.00 20.49 N ATOM 0 H ARG A 118 14.236 -5.839 1.915 1.00 11.50 H new ATOM 0 HA ARG A 118 14.040 -5.520 -0.682 1.00 11.34 H new ATOM 0 HB2 ARG A 118 16.068 -6.933 0.721 1.00 11.90 H new ATOM 0 HB3 ARG A 118 16.212 -6.436 -0.751 1.00 11.90 H new ATOM 0 HG2 ARG A 118 16.090 -4.186 0.001 1.00 14.67 H new ATOM 0 HG3 ARG A 118 15.955 -4.687 1.472 1.00 14.67 H new ATOM 0 HD2 ARG A 118 18.148 -4.047 1.171 1.00 14.45 H new ATOM 0 HD3 ARG A 118 18.144 -5.596 1.348 1.00 14.45 H new ATOM 0 HE ARG A 118 18.049 -5.166 -1.227 1.00 18.44 H new ATOM 0 HH11 ARG A 118 20.298 -4.653 1.133 1.00 20.07 H new ATOM 0 HH12 ARG A 118 21.492 -4.705 0.245 1.00 20.07 H new ATOM 0 HH21 ARG A 118 19.868 -5.233 -2.586 1.00 20.49 H new ATOM 0 HH22 ARG A 118 21.231 -5.057 -2.013 1.00 20.49 H new ATOM 728 N TYR A 119 13.514 -8.462 0.362 1.00 10.77 N ATOM 729 CA TYR A 119 12.998 -9.785 0.024 1.00 11.04 C ATOM 730 C TYR A 119 11.598 -9.683 -0.585 1.00 11.82 C ATOM 731 O TYR A 119 11.306 -10.283 -1.625 1.00 11.68 O ATOM 732 CB TYR A 119 12.952 -10.647 1.288 1.00 11.72 C ATOM 733 CG TYR A 119 12.379 -12.026 1.079 1.00 12.24 C ATOM 734 CD1 TYR A 119 13.184 -13.086 0.666 1.00 13.38 C ATOM 735 CD2 TYR A 119 11.023 -12.268 1.280 1.00 13.60 C ATOM 736 CE1 TYR A 119 12.650 -14.357 0.460 1.00 14.64 C ATOM 737 CE2 TYR A 119 10.480 -13.531 1.073 1.00 14.30 C ATOM 738 CZ TYR A 119 11.296 -14.568 0.664 1.00 14.75 C ATOM 739 OH TYR A 119 10.746 -15.814 0.461 1.00 17.13 O ATOM 0 H TYR A 119 13.651 -8.345 1.203 1.00 10.77 H new ATOM 0 HA TYR A 119 13.586 -10.192 -0.631 1.00 11.04 H new ATOM 0 HB2 TYR A 119 13.851 -10.732 1.641 1.00 11.72 H new ATOM 0 HB3 TYR A 119 12.425 -10.188 1.961 1.00 11.72 H new ATOM 0 HD1 TYR A 119 14.092 -12.943 0.526 1.00 13.38 H new ATOM 0 HD2 TYR A 119 10.471 -11.573 1.557 1.00 13.60 H new ATOM 0 HE1 TYR A 119 13.198 -15.057 0.188 1.00 14.64 H new ATOM 0 HE2 TYR A 119 9.572 -13.677 1.209 1.00 14.30 H new ATOM 0 HH TYR A 119 11.359 -16.387 0.418 1.00 17.13 H new ATOM 740 N LEU A 120 10.729 -8.914 0.061 1.00 11.09 N ATOM 741 CA LEU A 120 9.366 -8.759 -0.433 1.00 12.68 C ATOM 742 C LEU A 120 9.308 -7.948 -1.722 1.00 12.88 C ATOM 743 O LEU A 120 8.528 -8.259 -2.617 1.00 14.73 O ATOM 744 CB LEU A 120 8.491 -8.104 0.636 1.00 11.70 C ATOM 745 CG LEU A 120 8.305 -8.929 1.911 1.00 12.31 C ATOM 746 CD1 LEU A 120 7.520 -8.104 2.930 1.00 12.02 C ATOM 747 CD2 LEU A 120 7.578 -10.234 1.592 1.00 13.12 C ATOM 0 H LEU A 120 10.906 -8.477 0.780 1.00 11.09 H new ATOM 0 HA LEU A 120 9.029 -9.646 -0.633 1.00 12.68 H new ATOM 0 HB2 LEU A 120 8.880 -7.248 0.874 1.00 11.70 H new ATOM 0 HB3 LEU A 120 7.618 -7.922 0.254 1.00 11.70 H new ATOM 0 HG LEU A 120 9.171 -9.153 2.286 1.00 12.31 H new ATOM 0 HD11 LEU A 120 7.399 -8.622 3.741 1.00 12.02 H new ATOM 0 HD12 LEU A 120 8.009 -7.292 3.135 1.00 12.02 H new ATOM 0 HD13 LEU A 120 6.653 -7.874 2.561 1.00 12.02 H new ATOM 0 HD21 LEU A 120 7.465 -10.749 2.406 1.00 13.12 H new ATOM 0 HD22 LEU A 120 6.708 -10.035 1.212 1.00 13.12 H new ATOM 0 HD23 LEU A 120 8.099 -10.747 0.955 1.00 13.12 H new ATOM 748 N LYS A 121 10.137 -6.915 -1.821 1.00 14.12 N ATOM 749 CA LYS A 121 10.142 -6.089 -3.019 1.00 14.73 C ATOM 750 C LYS A 121 10.534 -6.913 -4.239 1.00 16.02 C ATOM 751 O LYS A 121 9.925 -6.794 -5.302 1.00 16.07 O ATOM 752 CB LYS A 121 11.109 -4.918 -2.856 1.00 14.26 C ATOM 753 CG LYS A 121 11.052 -3.912 -3.997 1.00 16.69 C ATOM 754 CD LYS A 121 12.034 -2.775 -3.775 1.00 19.09 C ATOM 755 CE LYS A 121 11.995 -1.765 -4.915 1.00 21.25 C ATOM 756 NZ LYS A 121 10.698 -1.028 -5.000 1.00 19.28 N ATOM 0 H LYS A 121 10.698 -6.678 -1.213 1.00 14.12 H new ATOM 0 HA LYS A 121 9.245 -5.743 -3.150 1.00 14.73 H new ATOM 0 HB2 LYS A 121 10.913 -4.461 -2.023 1.00 14.26 H new ATOM 0 HB3 LYS A 121 12.013 -5.263 -2.785 1.00 14.26 H new ATOM 0 HG2 LYS A 121 11.253 -4.358 -4.835 1.00 16.69 H new ATOM 0 HG3 LYS A 121 10.153 -3.556 -4.073 1.00 16.69 H new ATOM 0 HD2 LYS A 121 11.828 -2.328 -2.939 1.00 19.09 H new ATOM 0 HD3 LYS A 121 12.931 -3.134 -3.691 1.00 19.09 H new ATOM 0 HE2 LYS A 121 12.716 -1.127 -4.800 1.00 21.25 H new ATOM 0 HE3 LYS A 121 12.155 -2.225 -5.754 1.00 21.25 H new ATOM 0 HZ1 LYS A 121 10.652 -0.597 -5.777 1.00 19.28 H new ATOM 0 HZ2 LYS A 121 10.024 -1.606 -4.941 1.00 19.28 H new ATOM 0 HZ3 LYS A 121 10.645 -0.442 -4.333 1.00 19.28 H new ATOM 757 N GLU A 122 11.550 -7.756 -4.080 1.00 15.35 N ATOM 758 CA GLU A 122 12.026 -8.586 -5.179 1.00 17.78 C ATOM 759 C GLU A 122 10.934 -9.519 -5.703 1.00 17.31 C ATOM 760 O GLU A 122 10.888 -9.822 -6.896 1.00 16.83 O ATOM 761 CB GLU A 122 13.236 -9.412 -4.728 1.00 20.85 C ATOM 762 CG GLU A 122 14.022 -10.031 -5.872 1.00 27.62 C ATOM 763 CD GLU A 122 14.766 -8.991 -6.693 1.00 31.58 C ATOM 764 OE1 GLU A 122 15.274 -9.341 -7.779 1.00 34.87 O ATOM 765 OE2 GLU A 122 14.849 -7.826 -6.250 1.00 33.51 O ATOM 0 H GLU A 122 11.978 -7.862 -3.341 1.00 15.35 H new ATOM 0 HA GLU A 122 12.284 -7.993 -5.902 1.00 17.78 H new ATOM 0 HB2 GLU A 122 13.828 -8.845 -4.210 1.00 20.85 H new ATOM 0 HB3 GLU A 122 12.932 -10.119 -4.137 1.00 20.85 H new ATOM 0 HG2 GLU A 122 14.656 -10.672 -5.515 1.00 27.62 H new ATOM 0 HG3 GLU A 122 13.416 -10.522 -6.449 1.00 27.62 H new ATOM 766 N ARG A 123 10.053 -9.963 -4.811 1.00 16.71 N ATOM 767 CA ARG A 123 8.968 -10.870 -5.178 1.00 17.47 C ATOM 768 C ARG A 123 7.640 -10.164 -5.430 1.00 17.03 C ATOM 769 O ARG A 123 6.600 -10.813 -5.582 1.00 16.07 O ATOM 770 CB ARG A 123 8.799 -11.931 -4.087 1.00 17.00 C ATOM 771 CG ARG A 123 9.999 -12.860 -3.999 1.00 20.65 C ATOM 772 CD ARG A 123 9.985 -13.752 -2.769 1.00 22.22 C ATOM 773 NE ARG A 123 11.183 -14.587 -2.737 1.00 22.66 N ATOM 774 CZ ARG A 123 12.424 -14.109 -2.688 1.00 23.06 C ATOM 775 NH1 ARG A 123 12.640 -12.798 -2.655 1.00 20.23 N ATOM 776 NH2 ARG A 123 13.456 -14.941 -2.692 1.00 26.08 N ATOM 0 H ARG A 123 10.067 -9.748 -3.978 1.00 16.71 H new ATOM 0 HA ARG A 123 9.219 -11.282 -6.019 1.00 17.47 H new ATOM 0 HB2 ARG A 123 8.667 -11.494 -3.231 1.00 17.00 H new ATOM 0 HB3 ARG A 123 8.001 -12.452 -4.266 1.00 17.00 H new ATOM 0 HG2 ARG A 123 10.027 -13.416 -4.793 1.00 20.65 H new ATOM 0 HG3 ARG A 123 10.811 -12.329 -3.996 1.00 20.65 H new ATOM 0 HD2 ARG A 123 9.941 -13.208 -1.967 1.00 22.22 H new ATOM 0 HD3 ARG A 123 9.193 -14.312 -2.776 1.00 22.22 H new ATOM 0 HE ARG A 123 11.080 -15.441 -2.751 1.00 22.66 H new ATOM 0 HH11 ARG A 123 11.975 -12.252 -2.665 1.00 20.23 H new ATOM 0 HH12 ARG A 123 13.444 -12.495 -2.623 1.00 20.23 H new ATOM 0 HH21 ARG A 123 13.324 -15.790 -2.726 1.00 26.08 H new ATOM 0 HH22 ARG A 123 14.258 -14.632 -2.660 1.00 26.08 H new ATOM 777 N ASN A 124 7.682 -8.836 -5.483 1.00 16.31 N ATOM 778 CA ASN A 124 6.487 -8.035 -5.723 1.00 17.79 C ATOM 779 C ASN A 124 5.375 -8.378 -4.742 1.00 18.25 C ATOM 780 O ASN A 124 4.215 -8.533 -5.131 1.00 19.21 O ATOM 781 CB ASN A 124 5.989 -8.240 -7.156 1.00 19.46 C ATOM 782 CG ASN A 124 7.019 -7.834 -8.192 1.00 21.01 C ATOM 783 OD1 ASN A 124 7.539 -6.719 -8.162 1.00 24.07 O ATOM 784 ND2 ASN A 124 7.315 -8.737 -9.120 1.00 23.11 N ATOM 0 H ASN A 124 8.401 -8.376 -5.381 1.00 16.31 H new ATOM 0 HA ASN A 124 6.729 -7.105 -5.593 1.00 17.79 H new ATOM 0 HB2 ASN A 124 5.756 -9.173 -7.284 1.00 19.46 H new ATOM 0 HB3 ASN A 124 5.179 -7.724 -7.291 1.00 19.46 H new ATOM 0 HD21 ASN A 124 7.891 -8.552 -9.732 1.00 23.11 H new ATOM 0 HD22 ASN A 124 6.931 -9.506 -9.109 1.00 23.11 H new ATOM 785 N SER A 125 5.733 -8.505 -3.469 1.00 15.03 N ATOM 786 CA SER A 125 4.754 -8.818 -2.442 1.00 13.82 C ATOM 787 C SER A 125 4.442 -7.581 -1.618 1.00 14.75 C ATOM 788 O SER A 125 5.346 -6.831 -1.242 1.00 14.30 O ATOM 789 CB SER A 125 5.274 -9.916 -1.520 1.00 13.71 C ATOM 790 OG SER A 125 4.361 -10.128 -0.461 1.00 13.30 O ATOM 0 H SER A 125 6.538 -8.413 -3.181 1.00 15.03 H new ATOM 0 HA SER A 125 3.946 -9.127 -2.881 1.00 13.82 H new ATOM 0 HB2 SER A 125 5.398 -10.738 -2.020 1.00 13.71 H new ATOM 0 HB3 SER A 125 6.142 -9.667 -1.165 1.00 13.71 H new ATOM 0 HG SER A 125 4.652 -10.734 0.043 1.00 13.30 H new ATOM 791 N ARG A 126 3.160 -7.373 -1.331 1.00 13.81 N ATOM 792 CA ARG A 126 2.734 -6.219 -0.550 1.00 12.80 C ATOM 793 C ARG A 126 2.465 -6.575 0.908 1.00 12.18 C ATOM 794 O ARG A 126 1.947 -5.755 1.666 1.00 13.20 O ATOM 795 CB ARG A 126 1.483 -5.591 -1.179 1.00 12.84 C ATOM 796 CG ARG A 126 1.776 -4.771 -2.440 1.00 13.39 C ATOM 797 CD ARG A 126 0.497 -4.352 -3.163 1.00 14.02 C ATOM 798 NE ARG A 126 -0.405 -3.569 -2.319 1.00 12.11 N ATOM 799 CZ ARG A 126 -0.223 -2.293 -1.996 1.00 14.44 C ATOM 800 NH1 ARG A 126 0.834 -1.628 -2.446 1.00 15.26 N ATOM 801 NH2 ARG A 126 -1.106 -1.680 -1.219 1.00 16.64 N ATOM 0 H ARG A 126 2.520 -7.891 -1.581 1.00 13.81 H new ATOM 0 HA ARG A 126 3.462 -5.578 -0.561 1.00 12.80 H new ATOM 0 HB2 ARG A 126 0.853 -6.295 -1.399 1.00 12.84 H new ATOM 0 HB3 ARG A 126 1.053 -5.020 -0.524 1.00 12.84 H new ATOM 0 HG2 ARG A 126 2.284 -3.980 -2.199 1.00 13.39 H new ATOM 0 HG3 ARG A 126 2.330 -5.292 -3.042 1.00 13.39 H new ATOM 0 HD2 ARG A 126 0.730 -3.832 -3.948 1.00 14.02 H new ATOM 0 HD3 ARG A 126 0.033 -5.145 -3.475 1.00 14.02 H new ATOM 0 HE ARG A 126 -1.104 -3.963 -2.009 1.00 12.11 H new ATOM 0 HH11 ARG A 126 1.408 -2.023 -2.951 1.00 15.26 H new ATOM 0 HH12 ARG A 126 0.945 -0.802 -2.233 1.00 15.26 H new ATOM 0 HH21 ARG A 126 -1.792 -2.108 -0.927 1.00 16.64 H new ATOM 0 HH22 ARG A 126 -0.992 -0.854 -1.007 1.00 16.64 H new ATOM 802 N LYS A 127 2.829 -7.791 1.304 1.00 11.96 N ATOM 803 CA LYS A 127 2.617 -8.217 2.683 1.00 13.72 C ATOM 804 C LYS A 127 3.392 -7.346 3.659 1.00 12.94 C ATOM 805 O LYS A 127 4.451 -6.817 3.328 1.00 12.89 O ATOM 806 CB LYS A 127 3.043 -9.677 2.864 1.00 15.84 C ATOM 807 CG LYS A 127 2.169 -10.672 2.121 1.00 19.57 C ATOM 808 CD LYS A 127 2.646 -12.097 2.339 1.00 24.99 C ATOM 809 CE LYS A 127 1.757 -13.082 1.598 1.00 27.23 C ATOM 810 NZ LYS A 127 2.173 -14.486 1.847 1.00 29.98 N ATOM 0 H LYS A 127 3.197 -8.379 0.796 1.00 11.96 H new ATOM 0 HA LYS A 127 1.670 -8.127 2.871 1.00 13.72 H new ATOM 0 HB2 LYS A 127 3.959 -9.777 2.562 1.00 15.84 H new ATOM 0 HB3 LYS A 127 3.031 -9.893 3.810 1.00 15.84 H new ATOM 0 HG2 LYS A 127 1.251 -10.587 2.422 1.00 19.57 H new ATOM 0 HG3 LYS A 127 2.177 -10.468 1.173 1.00 19.57 H new ATOM 0 HD2 LYS A 127 3.562 -12.187 2.032 1.00 24.99 H new ATOM 0 HD3 LYS A 127 2.643 -12.302 3.287 1.00 24.99 H new ATOM 0 HE2 LYS A 127 0.836 -12.962 1.878 1.00 27.23 H new ATOM 0 HE3 LYS A 127 1.791 -12.897 0.646 1.00 27.23 H new ATOM 0 HZ1 LYS A 127 1.636 -15.038 1.402 1.00 29.98 H new ATOM 0 HZ2 LYS A 127 3.011 -14.601 1.571 1.00 29.98 H new ATOM 0 HZ3 LYS A 127 2.121 -14.661 2.718 1.00 29.98 H new ATOM 811 N PRO A 128 2.860 -7.167 4.878 1.00 11.60 N ATOM 812 CA PRO A 128 3.559 -6.347 5.869 1.00 10.79 C ATOM 813 C PRO A 128 4.647 -7.160 6.554 1.00 10.93 C ATOM 814 O PRO A 128 4.705 -8.382 6.407 1.00 10.50 O ATOM 815 CB PRO A 128 2.445 -5.950 6.832 1.00 11.72 C ATOM 816 CG PRO A 128 1.559 -7.163 6.814 1.00 14.28 C ATOM 817 CD PRO A 128 1.502 -7.511 5.338 1.00 13.37 C ATOM 0 HA PRO A 128 4.014 -5.576 5.495 1.00 10.79 H new ATOM 0 HB2 PRO A 128 2.785 -5.763 7.721 1.00 11.72 H new ATOM 0 HB3 PRO A 128 1.976 -5.155 6.535 1.00 11.72 H new ATOM 0 HG2 PRO A 128 1.930 -7.888 7.341 1.00 14.28 H new ATOM 0 HG3 PRO A 128 0.679 -6.972 7.174 1.00 14.28 H new ATOM 0 HD2 PRO A 128 1.299 -8.449 5.195 1.00 13.37 H new ATOM 0 HD3 PRO A 128 0.822 -6.999 4.872 1.00 13.37 H new ATOM 818 N ILE A 129 5.508 -6.473 7.295 1.00 8.77 N ATOM 819 CA ILE A 129 6.585 -7.116 8.037 1.00 10.18 C ATOM 820 C ILE A 129 6.364 -6.889 9.529 1.00 11.14 C ATOM 821 O ILE A 129 6.090 -5.767 9.954 1.00 12.86 O ATOM 822 CB ILE A 129 7.962 -6.515 7.666 1.00 10.19 C ATOM 823 CG1 ILE A 129 8.326 -6.886 6.227 1.00 10.37 C ATOM 824 CG2 ILE A 129 9.026 -7.011 8.639 1.00 10.89 C ATOM 825 CD1 ILE A 129 9.620 -6.245 5.742 1.00 12.09 C ATOM 0 H ILE A 129 5.484 -5.618 7.382 1.00 8.77 H new ATOM 0 HA ILE A 129 6.579 -8.060 7.816 1.00 10.18 H new ATOM 0 HB ILE A 129 7.916 -5.548 7.729 1.00 10.19 H new ATOM 0 HG12 ILE A 129 8.406 -7.850 6.160 1.00 10.37 H new ATOM 0 HG13 ILE A 129 7.602 -6.620 5.639 1.00 10.37 H new ATOM 0 HG21 ILE A 129 9.886 -6.630 8.400 1.00 10.89 H new ATOM 0 HG22 ILE A 129 8.792 -6.740 9.540 1.00 10.89 H new ATOM 0 HG23 ILE A 129 9.078 -7.979 8.596 1.00 10.89 H new ATOM 0 HD11 ILE A 129 9.794 -6.518 4.828 1.00 12.09 H new ATOM 0 HD12 ILE A 129 9.537 -5.279 5.780 1.00 12.09 H new ATOM 0 HD13 ILE A 129 10.354 -6.529 6.309 1.00 12.09 H new ATOM 826 N TYR A 130 6.471 -7.952 10.319 1.00 10.03 N ATOM 827 CA TYR A 130 6.329 -7.833 11.766 1.00 10.07 C ATOM 828 C TYR A 130 7.699 -7.886 12.420 1.00 9.54 C ATOM 829 O TYR A 130 8.514 -8.751 12.100 1.00 12.19 O ATOM 830 CB TYR A 130 5.501 -8.983 12.356 1.00 10.16 C ATOM 831 CG TYR A 130 4.012 -8.747 12.407 1.00 10.35 C ATOM 832 CD1 TYR A 130 3.143 -9.520 11.641 1.00 11.53 C ATOM 833 CD2 TYR A 130 3.467 -7.769 13.241 1.00 12.68 C ATOM 834 CE1 TYR A 130 1.767 -9.328 11.701 1.00 12.16 C ATOM 835 CE2 TYR A 130 2.087 -7.570 13.311 1.00 11.87 C ATOM 836 CZ TYR A 130 1.246 -8.354 12.536 1.00 14.39 C ATOM 837 OH TYR A 130 -0.119 -8.163 12.584 1.00 15.60 O ATOM 0 H TYR A 130 6.625 -8.750 10.038 1.00 10.03 H new ATOM 0 HA TYR A 130 5.881 -6.990 11.938 1.00 10.07 H new ATOM 0 HB2 TYR A 130 5.669 -9.783 11.834 1.00 10.16 H new ATOM 0 HB3 TYR A 130 5.816 -9.160 13.256 1.00 10.16 H new ATOM 0 HD1 TYR A 130 3.489 -10.176 11.080 1.00 11.53 H new ATOM 0 HD2 TYR A 130 4.032 -7.242 13.758 1.00 12.68 H new ATOM 0 HE1 TYR A 130 1.199 -9.851 11.183 1.00 12.16 H new ATOM 0 HE2 TYR A 130 1.735 -6.917 13.872 1.00 11.87 H new ATOM 0 HH TYR A 130 -0.285 -7.412 12.921 1.00 15.60 H new ATOM 838 N SER A 131 7.945 -6.947 13.326 1.00 9.66 N ATOM 839 CA SER A 131 9.176 -6.903 14.109 1.00 9.20 C ATOM 840 C SER A 131 8.715 -6.513 15.507 1.00 9.76 C ATOM 841 O SER A 131 7.760 -5.755 15.654 1.00 11.58 O ATOM 842 CB SER A 131 10.146 -5.842 13.586 1.00 10.58 C ATOM 843 OG SER A 131 11.233 -5.692 14.488 1.00 10.92 O ATOM 0 H SER A 131 7.396 -6.310 13.506 1.00 9.66 H new ATOM 0 HA SER A 131 9.648 -7.750 14.072 1.00 9.20 H new ATOM 0 HB2 SER A 131 10.475 -6.098 12.710 1.00 10.58 H new ATOM 0 HB3 SER A 131 9.685 -4.995 13.480 1.00 10.58 H new ATOM 0 HG SER A 131 11.952 -5.647 14.056 1.00 10.92 H new ATOM 844 N ASP A 132 9.368 -7.036 16.538 1.00 11.51 N ATOM 845 CA ASP A 132 8.961 -6.673 17.889 1.00 11.18 C ATOM 846 C ASP A 132 9.847 -5.554 18.417 1.00 11.99 C ATOM 847 O ASP A 132 9.664 -5.090 19.541 1.00 11.72 O ATOM 848 CB ASP A 132 9.041 -7.885 18.829 1.00 11.25 C ATOM 849 CG ASP A 132 10.447 -8.459 18.938 1.00 11.33 C ATOM 850 OD1 ASP A 132 11.421 -7.696 18.785 1.00 12.58 O ATOM 851 OD2 ASP A 132 10.578 -9.677 19.191 1.00 13.88 O ATOM 0 H ASP A 132 10.028 -7.585 16.482 1.00 11.51 H new ATOM 0 HA ASP A 132 8.041 -6.368 17.857 1.00 11.18 H new ATOM 0 HB2 ASP A 132 8.734 -7.625 19.711 1.00 11.25 H new ATOM 0 HB3 ASP A 132 8.439 -8.575 18.511 1.00 11.25 H new ATOM 852 N SER A 133 10.782 -5.106 17.583 1.00 10.91 N ATOM 853 CA SER A 133 11.756 -4.082 17.968 1.00 12.02 C ATOM 854 C SER A 133 11.368 -2.625 17.728 1.00 12.58 C ATOM 855 O SER A 133 11.402 -2.138 16.598 1.00 11.71 O ATOM 856 CB SER A 133 13.090 -4.371 17.263 1.00 11.54 C ATOM 857 OG SER A 133 14.065 -3.381 17.551 1.00 11.59 O ATOM 0 H SER A 133 10.871 -5.387 16.775 1.00 10.91 H new ATOM 0 HA SER A 133 11.812 -4.156 18.934 1.00 12.02 H new ATOM 0 HB2 SER A 133 13.420 -5.240 17.540 1.00 11.54 H new ATOM 0 HB3 SER A 133 12.946 -4.414 16.305 1.00 11.54 H new ATOM 0 HG SER A 133 14.355 -3.492 18.332 1.00 11.59 H new ATOM 858 N GLN A 134 11.029 -1.921 18.805 1.00 12.41 N ATOM 859 CA GLN A 134 10.658 -0.515 18.702 1.00 14.33 C ATOM 860 C GLN A 134 11.822 0.276 18.107 1.00 13.28 C ATOM 861 O GLN A 134 11.623 1.177 17.294 1.00 14.27 O ATOM 862 CB GLN A 134 10.301 0.030 20.089 1.00 15.92 C ATOM 863 CG GLN A 134 9.753 1.457 20.111 1.00 20.32 C ATOM 864 CD GLN A 134 10.837 2.519 20.017 1.00 22.58 C ATOM 865 OE1 GLN A 134 11.955 2.318 20.485 1.00 22.65 O ATOM 866 NE2 GLN A 134 10.500 3.666 19.430 1.00 23.27 N ATOM 0 H GLN A 134 11.008 -2.240 19.604 1.00 12.41 H new ATOM 0 HA GLN A 134 9.885 -0.425 18.123 1.00 14.33 H new ATOM 0 HB2 GLN A 134 9.644 -0.559 20.492 1.00 15.92 H new ATOM 0 HB3 GLN A 134 11.093 -0.005 20.647 1.00 15.92 H new ATOM 0 HG2 GLN A 134 9.133 1.570 19.373 1.00 20.32 H new ATOM 0 HG3 GLN A 134 9.248 1.590 20.929 1.00 20.32 H new ATOM 0 HE21 GLN A 134 9.707 3.770 19.114 1.00 23.27 H new ATOM 0 HE22 GLN A 134 11.075 4.302 19.367 1.00 23.27 H new ATOM 867 N THR A 135 13.037 -0.076 18.507 1.00 12.03 N ATOM 868 CA THR A 135 14.231 0.605 18.015 1.00 11.92 C ATOM 869 C THR A 135 14.450 0.402 16.518 1.00 11.70 C ATOM 870 O THR A 135 14.649 1.362 15.774 1.00 12.87 O ATOM 871 CB THR A 135 15.495 0.115 18.752 1.00 13.45 C ATOM 872 OG1 THR A 135 15.417 0.481 20.135 1.00 13.27 O ATOM 873 CG2 THR A 135 16.746 0.727 18.137 1.00 13.57 C ATOM 0 H THR A 135 13.194 -0.710 19.066 1.00 12.03 H new ATOM 0 HA THR A 135 14.082 1.548 18.186 1.00 11.92 H new ATOM 0 HB THR A 135 15.546 -0.850 18.669 1.00 13.45 H new ATOM 0 HG1 THR A 135 15.010 -0.118 20.561 1.00 13.27 H new ATOM 0 HG21 THR A 135 17.529 0.408 18.612 1.00 13.57 H new ATOM 0 HG22 THR A 135 16.807 0.469 17.204 1.00 13.57 H new ATOM 0 HG23 THR A 135 16.699 1.694 18.203 1.00 13.57 H new ATOM 874 N ALA A 136 14.415 -0.852 16.080 1.00 11.15 N ATOM 875 CA ALA A 136 14.641 -1.171 14.672 1.00 10.63 C ATOM 876 C ALA A 136 13.561 -0.579 13.782 1.00 11.33 C ATOM 877 O ALA A 136 13.840 -0.106 12.682 1.00 10.54 O ATOM 878 CB ALA A 136 14.715 -2.682 14.482 1.00 10.14 C ATOM 0 H ALA A 136 14.262 -1.534 16.581 1.00 11.15 H new ATOM 0 HA ALA A 136 15.487 -0.774 14.410 1.00 10.63 H new ATOM 0 HB1 ALA A 136 14.865 -2.884 13.545 1.00 10.14 H new ATOM 0 HB2 ALA A 136 15.446 -3.039 15.010 1.00 10.14 H new ATOM 0 HB3 ALA A 136 13.881 -3.086 14.770 1.00 10.14 H new ATOM 879 N ILE A 137 12.322 -0.615 14.253 1.00 11.96 N ATOM 880 CA ILE A 137 11.223 -0.054 13.481 1.00 11.77 C ATOM 881 C ILE A 137 11.464 1.441 13.282 1.00 11.95 C ATOM 882 O ILE A 137 11.262 1.968 12.188 1.00 12.57 O ATOM 883 CB ILE A 137 9.874 -0.274 14.196 1.00 10.47 C ATOM 884 CG1 ILE A 137 9.525 -1.768 14.171 1.00 11.23 C ATOM 885 CG2 ILE A 137 8.787 0.565 13.531 1.00 13.25 C ATOM 886 CD1 ILE A 137 8.289 -2.138 14.978 1.00 10.56 C ATOM 0 H ILE A 137 12.097 -0.956 15.010 1.00 11.96 H new ATOM 0 HA ILE A 137 11.185 -0.502 12.622 1.00 11.77 H new ATOM 0 HB ILE A 137 9.940 0.010 15.121 1.00 10.47 H new ATOM 0 HG12 ILE A 137 9.391 -2.042 13.250 1.00 11.23 H new ATOM 0 HG13 ILE A 137 10.282 -2.272 14.510 1.00 11.23 H new ATOM 0 HG21 ILE A 137 7.943 0.421 13.986 1.00 13.25 H new ATOM 0 HG22 ILE A 137 9.026 1.504 13.583 1.00 13.25 H new ATOM 0 HG23 ILE A 137 8.701 0.304 12.601 1.00 13.25 H new ATOM 0 HD11 ILE A 137 8.134 -3.093 14.914 1.00 10.56 H new ATOM 0 HD12 ILE A 137 8.424 -1.895 15.907 1.00 10.56 H new ATOM 0 HD13 ILE A 137 7.520 -1.662 14.628 1.00 10.56 H new ATOM 887 N LYS A 138 11.900 2.125 14.335 1.00 12.50 N ATOM 888 CA LYS A 138 12.169 3.555 14.222 1.00 13.05 C ATOM 889 C LYS A 138 13.343 3.811 13.272 1.00 12.78 C ATOM 890 O LYS A 138 13.270 4.685 12.409 1.00 13.87 O ATOM 891 CB LYS A 138 12.471 4.162 15.597 1.00 14.11 C ATOM 892 CG LYS A 138 12.683 5.674 15.563 1.00 15.33 C ATOM 893 CD LYS A 138 12.896 6.241 16.961 1.00 18.97 C ATOM 894 CE LYS A 138 13.033 7.762 16.934 1.00 16.86 C ATOM 895 NZ LYS A 138 14.163 8.210 16.072 1.00 21.29 N ATOM 0 H LYS A 138 12.045 1.787 15.112 1.00 12.50 H new ATOM 0 HA LYS A 138 11.375 3.980 13.861 1.00 13.05 H new ATOM 0 HB2 LYS A 138 11.739 3.959 16.200 1.00 14.11 H new ATOM 0 HB3 LYS A 138 13.264 3.740 15.962 1.00 14.11 H new ATOM 0 HG2 LYS A 138 13.451 5.882 15.008 1.00 15.33 H new ATOM 0 HG3 LYS A 138 11.914 6.100 15.154 1.00 15.33 H new ATOM 0 HD2 LYS A 138 12.150 5.992 17.529 1.00 18.97 H new ATOM 0 HD3 LYS A 138 13.693 5.850 17.352 1.00 18.97 H new ATOM 0 HE2 LYS A 138 12.207 8.154 16.611 1.00 16.86 H new ATOM 0 HE3 LYS A 138 13.168 8.089 17.837 1.00 16.86 H new ATOM 0 HZ1 LYS A 138 14.275 9.088 16.161 1.00 21.29 H new ATOM 0 HZ2 LYS A 138 14.908 7.790 16.317 1.00 21.29 H new ATOM 0 HZ3 LYS A 138 13.982 8.019 15.222 1.00 21.29 H new ATOM 896 N TRP A 139 14.422 3.046 13.420 1.00 12.32 N ATOM 897 CA TRP A 139 15.587 3.223 12.555 1.00 12.22 C ATOM 898 C TRP A 139 15.208 3.077 11.087 1.00 12.63 C ATOM 899 O TRP A 139 15.692 3.821 10.239 1.00 13.87 O ATOM 900 CB TRP A 139 16.685 2.213 12.904 1.00 11.99 C ATOM 901 CG TRP A 139 17.374 2.486 14.211 1.00 12.56 C ATOM 902 CD1 TRP A 139 17.145 3.528 15.063 1.00 13.78 C ATOM 903 CD2 TRP A 139 18.417 1.705 14.806 1.00 12.51 C ATOM 904 NE1 TRP A 139 17.980 3.445 16.150 1.00 13.49 N ATOM 905 CE2 TRP A 139 18.770 2.334 16.019 1.00 13.04 C ATOM 906 CE3 TRP A 139 19.086 0.532 14.431 1.00 13.46 C ATOM 907 CZ2 TRP A 139 19.765 1.830 16.862 1.00 14.19 C ATOM 908 CZ3 TRP A 139 20.077 0.031 15.269 1.00 12.91 C ATOM 909 CH2 TRP A 139 20.404 0.681 16.472 1.00 14.55 C ATOM 0 H TRP A 139 14.500 2.424 14.009 1.00 12.32 H new ATOM 0 HA TRP A 139 15.924 4.120 12.703 1.00 12.22 H new ATOM 0 HB2 TRP A 139 16.297 1.325 12.933 1.00 11.99 H new ATOM 0 HB3 TRP A 139 17.347 2.210 12.195 1.00 11.99 H new ATOM 0 HD1 TRP A 139 16.514 4.198 14.927 1.00 13.78 H new ATOM 0 HE1 TRP A 139 18.003 4.000 16.806 1.00 13.49 H new ATOM 0 HE3 TRP A 139 18.872 0.097 13.637 1.00 13.46 H new ATOM 0 HZ2 TRP A 139 19.985 2.258 17.658 1.00 14.19 H new ATOM 0 HZ3 TRP A 139 20.530 -0.745 15.030 1.00 12.91 H new ATOM 0 HH2 TRP A 139 21.069 0.324 17.016 1.00 14.55 H new ATOM 910 N VAL A 140 14.345 2.114 10.783 1.00 12.95 N ATOM 911 CA VAL A 140 13.926 1.925 9.404 1.00 13.25 C ATOM 912 C VAL A 140 13.065 3.101 8.954 1.00 14.59 C ATOM 913 O VAL A 140 13.217 3.592 7.838 1.00 15.89 O ATOM 914 CB VAL A 140 13.147 0.612 9.230 1.00 11.63 C ATOM 915 CG1 VAL A 140 12.618 0.508 7.804 1.00 13.29 C ATOM 916 CG2 VAL A 140 14.070 -0.567 9.538 1.00 14.00 C ATOM 0 H VAL A 140 13.997 1.569 11.350 1.00 12.95 H new ATOM 0 HA VAL A 140 14.723 1.878 8.854 1.00 13.25 H new ATOM 0 HB VAL A 140 12.394 0.597 9.842 1.00 11.63 H new ATOM 0 HG11 VAL A 140 12.127 -0.322 7.700 1.00 13.29 H new ATOM 0 HG12 VAL A 140 12.028 1.256 7.622 1.00 13.29 H new ATOM 0 HG13 VAL A 140 13.361 0.524 7.181 1.00 13.29 H new ATOM 0 HG21 VAL A 140 13.581 -1.398 9.429 1.00 14.00 H new ATOM 0 HG22 VAL A 140 14.825 -0.554 8.929 1.00 14.00 H new ATOM 0 HG23 VAL A 140 14.390 -0.498 10.451 1.00 14.00 H new ATOM 917 N LYS A 141 12.174 3.558 9.830 1.00 14.55 N ATOM 918 CA LYS A 141 11.312 4.694 9.513 1.00 17.73 C ATOM 919 C LYS A 141 12.166 5.923 9.195 1.00 17.65 C ATOM 920 O LYS A 141 11.883 6.655 8.246 1.00 18.13 O ATOM 921 CB LYS A 141 10.386 5.002 10.692 1.00 18.36 C ATOM 922 CG LYS A 141 9.520 6.238 10.503 1.00 23.99 C ATOM 923 CD LYS A 141 8.717 6.526 11.760 1.00 27.21 C ATOM 924 CE LYS A 141 7.936 7.822 11.641 1.00 30.08 C ATOM 925 NZ LYS A 141 7.204 8.112 12.903 1.00 34.03 N ATOM 0 H LYS A 141 12.053 3.225 10.613 1.00 14.55 H new ATOM 0 HA LYS A 141 10.773 4.469 8.739 1.00 17.73 H new ATOM 0 HB2 LYS A 141 9.810 4.237 10.845 1.00 18.36 H new ATOM 0 HB3 LYS A 141 10.924 5.116 11.491 1.00 18.36 H new ATOM 0 HG2 LYS A 141 10.079 7.001 10.289 1.00 23.99 H new ATOM 0 HG3 LYS A 141 8.919 6.107 9.753 1.00 23.99 H new ATOM 0 HD2 LYS A 141 8.105 5.793 11.928 1.00 27.21 H new ATOM 0 HD3 LYS A 141 9.315 6.577 12.522 1.00 27.21 H new ATOM 0 HE2 LYS A 141 8.541 8.552 11.437 1.00 30.08 H new ATOM 0 HE3 LYS A 141 7.308 7.760 10.904 1.00 30.08 H new ATOM 0 HZ1 LYS A 141 7.150 8.993 13.020 1.00 34.03 H new ATOM 0 HZ2 LYS A 141 6.384 7.769 12.857 1.00 34.03 H new ATOM 0 HZ3 LYS A 141 7.639 7.748 13.589 1.00 34.03 H new ATOM 926 N ASP A 142 13.215 6.137 9.986 1.00 17.83 N ATOM 927 CA ASP A 142 14.110 7.279 9.792 1.00 19.47 C ATOM 928 C ASP A 142 15.148 7.009 8.710 1.00 19.77 C ATOM 929 O ASP A 142 15.852 7.923 8.280 1.00 21.08 O ATOM 930 CB ASP A 142 14.883 7.614 11.076 1.00 19.51 C ATOM 931 CG ASP A 142 13.985 7.887 12.264 1.00 20.22 C ATOM 932 OD1 ASP A 142 12.856 8.376 12.076 1.00 21.93 O ATOM 933 OD2 ASP A 142 14.431 7.627 13.399 1.00 23.24 O ATOM 0 H ASP A 142 13.428 5.629 10.646 1.00 17.83 H new ATOM 0 HA ASP A 142 13.537 8.018 9.534 1.00 19.47 H new ATOM 0 HB2 ASP A 142 15.476 6.877 11.290 1.00 19.51 H new ATOM 0 HB3 ASP A 142 15.442 8.391 10.916 1.00 19.51 H new ATOM 934 N LYS A 143 15.241 5.754 8.282 1.00 19.36 N ATOM 935 CA LYS A 143 16.229 5.342 7.292 1.00 20.66 C ATOM 936 C LYS A 143 17.606 5.707 7.837 1.00 21.39 C ATOM 937 O LYS A 143 18.480 6.180 7.110 1.00 22.09 O ATOM 938 CB LYS A 143 15.975 6.024 5.942 1.00 22.29 C ATOM 939 CG LYS A 143 14.670 5.589 5.292 1.00 23.16 C ATOM 940 CD LYS A 143 14.595 5.987 3.823 1.00 25.55 C ATOM 941 CE LYS A 143 13.291 5.503 3.199 1.00 25.55 C ATOM 942 NZ LYS A 143 13.229 5.771 1.736 1.00 28.11 N ATOM 0 H LYS A 143 14.733 5.117 8.558 1.00 19.36 H new ATOM 0 HA LYS A 143 16.170 4.386 7.138 1.00 20.66 H new ATOM 0 HB2 LYS A 143 15.963 6.986 6.068 1.00 22.29 H new ATOM 0 HB3 LYS A 143 16.711 5.826 5.342 1.00 22.29 H new ATOM 0 HG2 LYS A 143 14.578 4.627 5.369 1.00 23.16 H new ATOM 0 HG3 LYS A 143 13.925 5.985 5.771 1.00 23.16 H new ATOM 0 HD2 LYS A 143 14.660 6.951 3.741 1.00 25.55 H new ATOM 0 HD3 LYS A 143 15.348 5.610 3.342 1.00 25.55 H new ATOM 0 HE2 LYS A 143 13.194 4.551 3.355 1.00 25.55 H new ATOM 0 HE3 LYS A 143 12.544 5.940 3.637 1.00 25.55 H new ATOM 0 HZ1 LYS A 143 12.455 5.474 1.412 1.00 28.11 H new ATOM 0 HZ2 LYS A 143 13.294 6.647 1.591 1.00 28.11 H new ATOM 0 HZ3 LYS A 143 13.901 5.352 1.329 1.00 28.11 H new ATOM 943 N LYS A 144 17.782 5.482 9.137 1.00 19.11 N ATOM 944 CA LYS A 144 19.040 5.777 9.815 1.00 20.88 C ATOM 945 C LYS A 144 19.163 4.930 11.081 1.00 19.83 C ATOM 946 O LYS A 144 18.370 5.077 12.010 1.00 17.97 O ATOM 947 CB LYS A 144 19.100 7.262 10.180 1.00 24.02 C ATOM 948 CG LYS A 144 20.405 7.693 10.828 1.00 29.29 C ATOM 949 CD LYS A 144 21.569 7.557 9.859 1.00 32.55 C ATOM 950 CE LYS A 144 22.876 7.997 10.495 1.00 35.63 C ATOM 951 NZ LYS A 144 24.006 7.909 9.529 1.00 37.35 N ATOM 0 H LYS A 144 17.175 5.154 9.650 1.00 19.11 H new ATOM 0 HA LYS A 144 19.775 5.565 9.219 1.00 20.88 H new ATOM 0 HB2 LYS A 144 18.960 7.788 9.377 1.00 24.02 H new ATOM 0 HB3 LYS A 144 18.368 7.466 10.783 1.00 24.02 H new ATOM 0 HG2 LYS A 144 20.333 8.614 11.125 1.00 29.29 H new ATOM 0 HG3 LYS A 144 20.572 7.153 11.616 1.00 29.29 H new ATOM 0 HD2 LYS A 144 21.644 6.635 9.568 1.00 32.55 H new ATOM 0 HD3 LYS A 144 21.397 8.091 9.068 1.00 32.55 H new ATOM 0 HE2 LYS A 144 22.791 8.909 10.814 1.00 35.63 H new ATOM 0 HE3 LYS A 144 23.065 7.442 11.268 1.00 35.63 H new ATOM 0 HZ1 LYS A 144 24.758 8.172 9.926 1.00 37.35 H new ATOM 0 HZ2 LYS A 144 24.096 7.068 9.252 1.00 37.35 H new ATOM 0 HZ3 LYS A 144 23.841 8.435 8.830 1.00 37.35 H new ATOM 952 N ALA A 145 20.155 4.043 11.109 1.00 18.75 N ATOM 953 CA ALA A 145 20.385 3.167 12.258 1.00 19.64 C ATOM 954 C ALA A 145 21.272 3.878 13.274 1.00 20.05 C ATOM 955 O ALA A 145 22.495 3.891 13.138 1.00 21.69 O ATOM 956 CB ALA A 145 21.047 1.873 11.801 1.00 19.38 C ATOM 0 H ALA A 145 20.713 3.931 10.464 1.00 18.75 H new ATOM 0 HA ALA A 145 19.535 2.953 12.673 1.00 19.64 H new ATOM 0 HB1 ALA A 145 21.196 1.298 12.567 1.00 19.38 H new ATOM 0 HB2 ALA A 145 20.470 1.421 11.165 1.00 19.38 H new ATOM 0 HB3 ALA A 145 21.897 2.075 11.379 1.00 19.38 H new ATOM 957 N LYS A 146 20.656 4.453 14.300 1.00 18.55 N ATOM 958 CA LYS A 146 21.405 5.195 15.305 1.00 19.48 C ATOM 959 C LYS A 146 22.070 4.323 16.363 1.00 18.20 C ATOM 960 O LYS A 146 21.849 4.495 17.562 1.00 17.70 O ATOM 961 CB LYS A 146 20.496 6.233 15.970 1.00 21.74 C ATOM 962 CG LYS A 146 21.254 7.440 16.480 1.00 26.47 C ATOM 963 CD LYS A 146 20.338 8.627 16.705 1.00 29.65 C ATOM 964 CE LYS A 146 19.527 8.492 17.968 1.00 31.11 C ATOM 965 NZ LYS A 146 19.838 9.606 18.910 1.00 34.18 N ATOM 0 H LYS A 146 19.807 4.425 14.432 1.00 18.55 H new ATOM 0 HA LYS A 146 22.130 5.631 14.831 1.00 19.48 H new ATOM 0 HB2 LYS A 146 19.825 6.524 15.333 1.00 21.74 H new ATOM 0 HB3 LYS A 146 20.024 5.817 16.709 1.00 21.74 H new ATOM 0 HG2 LYS A 146 21.701 7.214 17.311 1.00 26.47 H new ATOM 0 HG3 LYS A 146 21.945 7.681 15.843 1.00 26.47 H new ATOM 0 HD2 LYS A 146 20.868 9.438 16.749 1.00 29.65 H new ATOM 0 HD3 LYS A 146 19.740 8.719 15.947 1.00 29.65 H new ATOM 0 HE2 LYS A 146 18.581 8.497 17.754 1.00 31.11 H new ATOM 0 HE3 LYS A 146 19.717 7.640 18.392 1.00 31.11 H new ATOM 0 HZ1 LYS A 146 19.282 9.572 19.604 1.00 34.18 H new ATOM 0 HZ2 LYS A 146 20.676 9.527 19.198 1.00 34.18 H new ATOM 0 HZ3 LYS A 146 19.741 10.385 18.491 1.00 34.18 H new ATOM 966 N SER A 147 22.896 3.390 15.906 1.00 17.19 N ATOM 967 CA SER A 147 23.616 2.498 16.803 1.00 16.39 C ATOM 968 C SER A 147 24.855 3.209 17.329 1.00 18.42 C ATOM 969 O SER A 147 25.453 4.025 16.625 1.00 18.47 O ATOM 970 CB SER A 147 24.048 1.238 16.056 1.00 16.35 C ATOM 971 OG SER A 147 24.905 0.438 16.850 1.00 15.59 O ATOM 0 H SER A 147 23.054 3.257 15.071 1.00 17.19 H new ATOM 0 HA SER A 147 23.033 2.251 17.538 1.00 16.39 H new ATOM 0 HB2 SER A 147 23.265 0.725 15.803 1.00 16.35 H new ATOM 0 HB3 SER A 147 24.502 1.486 15.235 1.00 16.35 H new ATOM 0 HG SER A 147 24.446 -0.022 17.383 1.00 15.59 H new ATOM 972 N THR A 148 25.238 2.926 18.567 1.00 17.64 N ATOM 973 CA THR A 148 26.444 3.549 19.088 1.00 18.55 C ATOM 974 C THR A 148 27.524 2.511 19.352 1.00 17.52 C ATOM 975 O THR A 148 28.443 2.731 20.142 1.00 17.81 O ATOM 976 CB THR A 148 26.173 4.397 20.351 1.00 19.21 C ATOM 977 OG1 THR A 148 25.390 3.655 21.290 1.00 19.90 O ATOM 978 CG2 THR A 148 25.442 5.680 19.967 1.00 19.16 C ATOM 0 H THR A 148 24.830 2.394 19.106 1.00 17.64 H new ATOM 0 HA THR A 148 26.763 4.157 18.403 1.00 18.55 H new ATOM 0 HB THR A 148 27.022 4.623 20.762 1.00 19.21 H new ATOM 0 HG1 THR A 148 25.895 3.171 21.756 1.00 19.90 H new ATOM 0 HG21 THR A 148 25.275 6.208 20.763 1.00 19.16 H new ATOM 0 HG22 THR A 148 25.988 6.191 19.349 1.00 19.16 H new ATOM 0 HG23 THR A 148 24.598 5.458 19.544 1.00 19.16 H new ATOM 979 N LEU A 149 27.404 1.370 18.680 1.00 16.29 N ATOM 980 CA LEU A 149 28.410 0.328 18.793 1.00 15.13 C ATOM 981 C LEU A 149 29.658 0.977 18.211 1.00 16.67 C ATOM 982 O LEU A 149 29.595 1.612 17.156 1.00 14.91 O ATOM 983 CB LEU A 149 28.037 -0.891 17.947 1.00 14.52 C ATOM 984 CG LEU A 149 29.089 -2.002 17.892 1.00 13.65 C ATOM 985 CD1 LEU A 149 29.269 -2.612 19.282 1.00 15.13 C ATOM 986 CD2 LEU A 149 28.671 -3.066 16.893 1.00 14.53 C ATOM 0 H LEU A 149 26.749 1.183 18.156 1.00 16.29 H new ATOM 0 HA LEU A 149 28.515 0.016 19.705 1.00 15.13 H new ATOM 0 HB2 LEU A 149 27.212 -1.265 18.293 1.00 14.52 H new ATOM 0 HB3 LEU A 149 27.856 -0.594 17.042 1.00 14.52 H new ATOM 0 HG LEU A 149 29.936 -1.627 17.604 1.00 13.65 H new ATOM 0 HD11 LEU A 149 29.936 -3.315 19.243 1.00 15.13 H new ATOM 0 HD12 LEU A 149 29.560 -1.925 19.902 1.00 15.13 H new ATOM 0 HD13 LEU A 149 28.425 -2.983 19.584 1.00 15.13 H new ATOM 0 HD21 LEU A 149 29.343 -3.765 16.865 1.00 14.53 H new ATOM 0 HD22 LEU A 149 27.820 -3.446 17.162 1.00 14.53 H new ATOM 0 HD23 LEU A 149 28.583 -2.667 16.013 1.00 14.53 H new ATOM 987 N VAL A 150 30.784 0.827 18.895 1.00 17.40 N ATOM 988 CA VAL A 150 32.025 1.419 18.421 1.00 19.49 C ATOM 989 C VAL A 150 32.375 0.923 17.020 1.00 20.06 C ATOM 990 O VAL A 150 32.128 -0.236 16.673 1.00 17.97 O ATOM 991 CB VAL A 150 33.194 1.094 19.382 1.00 19.14 C ATOM 992 CG1 VAL A 150 33.411 -0.410 19.448 1.00 20.11 C ATOM 993 CG2 VAL A 150 34.464 1.804 18.922 1.00 21.47 C ATOM 0 H VAL A 150 30.851 0.389 19.632 1.00 17.40 H new ATOM 0 HA VAL A 150 31.891 2.379 18.391 1.00 19.49 H new ATOM 0 HB VAL A 150 32.972 1.411 20.271 1.00 19.14 H new ATOM 0 HG11 VAL A 150 34.145 -0.605 20.052 1.00 20.11 H new ATOM 0 HG12 VAL A 150 32.604 -0.840 19.771 1.00 20.11 H new ATOM 0 HG13 VAL A 150 33.623 -0.746 18.563 1.00 20.11 H new ATOM 0 HG21 VAL A 150 35.190 1.595 19.530 1.00 21.47 H new ATOM 0 HG22 VAL A 150 34.695 1.507 18.028 1.00 21.47 H new ATOM 0 HG23 VAL A 150 34.315 2.762 18.915 1.00 21.47 H new ATOM 994 N ARG A 151 32.926 1.824 16.211 1.00 19.77 N ATOM 995 CA ARG A 151 33.348 1.491 14.858 1.00 20.79 C ATOM 996 C ARG A 151 34.849 1.233 14.894 1.00 22.05 C ATOM 997 O ARG A 151 35.637 2.170 15.031 1.00 20.60 O ATOM 998 CB ARG A 151 33.080 2.649 13.887 1.00 21.84 C ATOM 999 CG ARG A 151 31.652 2.803 13.383 1.00 22.12 C ATOM 1000 CD ARG A 151 31.579 3.980 12.400 1.00 23.48 C ATOM 1001 NE ARG A 151 30.237 4.242 11.882 1.00 21.67 N ATOM 1002 CZ ARG A 151 29.719 3.671 10.798 1.00 20.79 C ATOM 1003 NH1 ARG A 151 30.425 2.792 10.099 1.00 19.05 N ATOM 1004 NH2 ARG A 151 28.494 3.992 10.405 1.00 22.07 N ATOM 0 H ARG A 151 33.065 2.643 16.432 1.00 19.77 H new ATOM 0 HA ARG A 151 32.852 0.715 14.553 1.00 20.79 H new ATOM 0 HB2 ARG A 151 33.338 3.476 14.324 1.00 21.84 H new ATOM 0 HB3 ARG A 151 33.662 2.541 13.119 1.00 21.84 H new ATOM 0 HG2 ARG A 151 31.363 1.986 12.946 1.00 22.12 H new ATOM 0 HG3 ARG A 151 31.050 2.954 14.129 1.00 22.12 H new ATOM 0 HD2 ARG A 151 31.906 4.779 12.842 1.00 23.48 H new ATOM 0 HD3 ARG A 151 32.174 3.804 11.655 1.00 23.48 H new ATOM 0 HE ARG A 151 29.747 4.806 12.309 1.00 21.67 H new ATOM 0 HH11 ARG A 151 31.223 2.588 10.346 1.00 19.05 H new ATOM 0 HH12 ARG A 151 30.085 2.426 9.399 1.00 19.05 H new ATOM 0 HH21 ARG A 151 28.037 4.568 10.851 1.00 22.07 H new ATOM 0 HH22 ARG A 151 28.157 3.624 9.704 1.00 22.07 H new ATOM 1005 N ASN A 152 35.235 -0.036 14.802 1.00 21.91 N ATOM 1006 CA ASN A 152 36.644 -0.416 14.785 1.00 23.76 C ATOM 1007 C ASN A 152 36.814 -1.581 13.817 1.00 24.68 C ATOM 1008 O ASN A 152 35.861 -1.968 13.137 1.00 24.26 O ATOM 1009 CB ASN A 152 37.148 -0.803 16.184 1.00 23.51 C ATOM 1010 CG ASN A 152 36.325 -1.899 16.832 1.00 23.72 C ATOM 1011 OD1 ASN A 152 35.919 -2.859 16.181 1.00 24.14 O ATOM 1012 ND2 ASN A 152 36.095 -1.768 18.134 1.00 25.33 N ATOM 0 H ASN A 152 34.690 -0.699 14.748 1.00 21.91 H new ATOM 0 HA ASN A 152 37.173 0.344 14.496 1.00 23.76 H new ATOM 0 HB2 ASN A 152 38.071 -1.094 16.120 1.00 23.51 H new ATOM 0 HB3 ASN A 152 37.137 -0.018 16.754 1.00 23.51 H new ATOM 0 HD21 ASN A 152 35.646 -2.369 18.554 1.00 25.33 H new ATOM 0 HD22 ASN A 152 36.395 -1.082 18.557 1.00 25.33 H new ATOM 1013 N GLU A 153 38.015 -2.144 13.745 1.00 25.82 N ATOM 1014 CA GLU A 153 38.256 -3.243 12.818 1.00 27.63 C ATOM 1015 C GLU A 153 37.424 -4.483 13.133 1.00 27.21 C ATOM 1016 O GLU A 153 37.007 -5.202 12.224 1.00 27.06 O ATOM 1017 CB GLU A 153 39.744 -3.619 12.797 1.00 30.32 C ATOM 1018 CG GLU A 153 40.135 -4.429 11.565 1.00 34.58 C ATOM 1019 CD GLU A 153 41.593 -4.853 11.555 1.00 37.43 C ATOM 1020 OE1 GLU A 153 42.054 -5.350 10.505 1.00 39.59 O ATOM 1021 OE2 GLU A 153 42.275 -4.700 12.591 1.00 39.17 O ATOM 0 H GLU A 153 38.695 -1.909 14.217 1.00 25.82 H new ATOM 0 HA GLU A 153 37.983 -2.923 11.944 1.00 27.63 H new ATOM 0 HB2 GLU A 153 40.278 -2.810 12.829 1.00 30.32 H new ATOM 0 HB3 GLU A 153 39.955 -4.130 13.594 1.00 30.32 H new ATOM 0 HG2 GLU A 153 39.576 -5.220 11.516 1.00 34.58 H new ATOM 0 HG3 GLU A 153 39.953 -3.903 10.770 1.00 34.58 H new ATOM 1022 N GLU A 154 37.178 -4.725 14.417 1.00 25.88 N ATOM 1023 CA GLU A 154 36.410 -5.891 14.846 1.00 26.04 C ATOM 1024 C GLU A 154 34.919 -5.782 14.510 1.00 24.26 C ATOM 1025 O GLU A 154 34.253 -6.795 14.306 1.00 25.53 O ATOM 1026 CB GLU A 154 36.587 -6.111 16.358 1.00 27.91 C ATOM 1027 CG GLU A 154 35.420 -5.625 17.217 0.00 32.03 C ATOM 1028 CD GLU A 154 35.713 -5.679 18.708 0.00 33.97 C ATOM 1029 OE1 GLU A 154 36.518 -4.853 19.187 0.00 35.31 O ATOM 1030 OE2 GLU A 154 35.142 -6.547 19.401 0.00 35.31 O ATOM 0 H GLU A 154 37.449 -4.223 15.060 1.00 25.88 H new ATOM 0 HA GLU A 154 36.758 -6.651 14.354 1.00 26.04 H new ATOM 0 HB2 GLU A 154 36.720 -7.058 16.521 1.00 27.91 H new ATOM 0 HB3 GLU A 154 37.395 -5.658 16.646 1.00 27.91 H new ATOM 0 HG2 GLU A 154 35.201 -4.713 16.969 0.00 32.03 H new ATOM 0 HG3 GLU A 154 34.638 -6.167 17.027 0.00 32.03 H new ATOM 1031 N THR A 155 34.396 -4.561 14.454 1.00 21.91 N ATOM 1032 CA THR A 155 32.979 -4.370 14.155 1.00 19.64 C ATOM 1033 C THR A 155 32.747 -3.905 12.725 1.00 19.51 C ATOM 1034 O THR A 155 31.633 -3.537 12.356 1.00 18.10 O ATOM 1035 CB THR A 155 32.336 -3.341 15.103 1.00 19.60 C ATOM 1036 OG1 THR A 155 32.910 -2.051 14.869 1.00 18.31 O ATOM 1037 CG2 THR A 155 32.565 -3.736 16.552 1.00 18.07 C ATOM 0 H THR A 155 34.839 -3.836 14.585 1.00 21.91 H new ATOM 0 HA THR A 155 32.567 -5.239 14.278 1.00 19.64 H new ATOM 0 HB THR A 155 31.382 -3.314 14.931 1.00 19.60 H new ATOM 0 HG1 THR A 155 32.628 -1.510 15.446 1.00 18.31 H new ATOM 0 HG21 THR A 155 32.155 -3.079 17.136 1.00 18.07 H new ATOM 0 HG22 THR A 155 32.169 -4.606 16.717 1.00 18.07 H new ATOM 0 HG23 THR A 155 33.518 -3.776 16.730 1.00 18.07 H new ATOM 1038 N ALA A 156 33.800 -3.937 11.917 1.00 18.79 N ATOM 1039 CA ALA A 156 33.705 -3.500 10.529 1.00 19.62 C ATOM 1040 C ALA A 156 32.625 -4.209 9.711 1.00 19.09 C ATOM 1041 O ALA A 156 31.908 -3.566 8.945 1.00 18.58 O ATOM 1042 CB ALA A 156 35.061 -3.659 9.843 1.00 20.29 C ATOM 0 H ALA A 156 34.581 -4.209 12.153 1.00 18.79 H new ATOM 0 HA ALA A 156 33.440 -2.567 10.564 1.00 19.62 H new ATOM 0 HB1 ALA A 156 34.993 -3.367 8.920 1.00 20.29 H new ATOM 0 HB2 ALA A 156 35.722 -3.120 10.304 1.00 20.29 H new ATOM 0 HB3 ALA A 156 35.329 -4.591 9.868 1.00 20.29 H new ATOM 1043 N LEU A 157 32.502 -5.525 9.869 1.00 18.36 N ATOM 1044 CA LEU A 157 31.516 -6.277 9.100 1.00 18.36 C ATOM 1045 C LEU A 157 30.077 -5.867 9.381 1.00 17.40 C ATOM 1046 O LEU A 157 29.326 -5.560 8.454 1.00 17.63 O ATOM 1047 CB LEU A 157 31.666 -7.785 9.337 1.00 20.60 C ATOM 1048 CG LEU A 157 30.620 -8.643 8.612 1.00 22.87 C ATOM 1049 CD1 LEU A 157 30.663 -8.349 7.121 1.00 27.04 C ATOM 1050 CD2 LEU A 157 30.872 -10.119 8.872 1.00 25.98 C ATOM 0 H LEU A 157 32.975 -5.997 10.411 1.00 18.36 H new ATOM 0 HA LEU A 157 31.700 -6.064 8.172 1.00 18.36 H new ATOM 0 HB2 LEU A 157 32.551 -8.061 9.050 1.00 20.60 H new ATOM 0 HB3 LEU A 157 31.609 -7.960 10.289 1.00 20.60 H new ATOM 0 HG LEU A 157 29.738 -8.423 8.952 1.00 22.87 H new ATOM 0 HD11 LEU A 157 30.001 -8.892 6.665 1.00 27.04 H new ATOM 0 HD12 LEU A 157 30.470 -7.410 6.970 1.00 27.04 H new ATOM 0 HD13 LEU A 157 31.545 -8.557 6.775 1.00 27.04 H new ATOM 0 HD21 LEU A 157 30.204 -10.648 8.408 1.00 25.98 H new ATOM 0 HD22 LEU A 157 31.755 -10.358 8.549 1.00 25.98 H new ATOM 0 HD23 LEU A 157 30.818 -10.294 9.825 1.00 25.98 H new ATOM 1051 N ILE A 158 29.683 -5.870 10.650 1.00 14.69 N ATOM 1052 CA ILE A 158 28.315 -5.491 10.995 1.00 14.83 C ATOM 1053 C ILE A 158 28.024 -4.064 10.539 1.00 13.24 C ATOM 1054 O ILE A 158 26.946 -3.782 10.024 1.00 12.64 O ATOM 1055 CB ILE A 158 28.047 -5.609 12.526 1.00 13.77 C ATOM 1056 CG1 ILE A 158 26.546 -5.471 12.812 1.00 16.19 C ATOM 1057 CG2 ILE A 158 28.782 -4.516 13.282 1.00 14.34 C ATOM 1058 CD1 ILE A 158 25.712 -6.633 12.316 1.00 15.96 C ATOM 0 H ILE A 158 30.182 -6.084 11.317 1.00 14.69 H new ATOM 0 HA ILE A 158 27.725 -6.108 10.535 1.00 14.83 H new ATOM 0 HB ILE A 158 28.363 -6.478 12.818 1.00 13.77 H new ATOM 0 HG12 ILE A 158 26.416 -5.378 13.769 1.00 16.19 H new ATOM 0 HG13 ILE A 158 26.222 -4.654 12.401 1.00 16.19 H new ATOM 0 HG21 ILE A 158 28.605 -4.604 14.232 1.00 14.34 H new ATOM 0 HG22 ILE A 158 29.735 -4.597 13.123 1.00 14.34 H new ATOM 0 HG23 ILE A 158 28.476 -3.648 12.975 1.00 14.34 H new ATOM 0 HD11 ILE A 158 24.779 -6.477 12.531 1.00 15.96 H new ATOM 0 HD12 ILE A 158 25.812 -6.717 11.355 1.00 15.96 H new ATOM 0 HD13 ILE A 158 26.009 -7.451 12.744 1.00 15.96 H new ATOM 1059 N TRP A 159 28.989 -3.162 10.705 1.00 13.57 N ATOM 1060 CA TRP A 159 28.772 -1.780 10.301 1.00 13.97 C ATOM 1061 C TRP A 159 28.653 -1.642 8.790 1.00 15.86 C ATOM 1062 O TRP A 159 27.940 -0.765 8.293 1.00 13.82 O ATOM 1063 CB TRP A 159 29.890 -0.878 10.835 1.00 14.79 C ATOM 1064 CG TRP A 159 29.544 -0.265 12.164 1.00 14.56 C ATOM 1065 CD1 TRP A 159 30.164 -0.484 13.359 1.00 15.85 C ATOM 1066 CD2 TRP A 159 28.485 0.665 12.425 1.00 14.60 C ATOM 1067 NE1 TRP A 159 29.558 0.254 14.351 1.00 14.28 N ATOM 1068 CE2 TRP A 159 28.524 0.967 13.805 1.00 14.18 C ATOM 1069 CE3 TRP A 159 27.505 1.272 11.627 1.00 15.51 C ATOM 1070 CZ2 TRP A 159 27.622 1.851 14.404 1.00 14.80 C ATOM 1071 CZ3 TRP A 159 26.608 2.151 12.223 1.00 15.61 C ATOM 1072 CH2 TRP A 159 26.673 2.432 13.601 1.00 17.62 C ATOM 0 H TRP A 159 29.762 -3.327 11.043 1.00 13.57 H new ATOM 0 HA TRP A 159 27.929 -1.496 10.687 1.00 13.97 H new ATOM 0 HB2 TRP A 159 30.706 -1.395 10.923 1.00 14.79 H new ATOM 0 HB3 TRP A 159 30.068 -0.173 10.193 1.00 14.79 H new ATOM 0 HD1 TRP A 159 30.891 -1.050 13.486 1.00 15.85 H new ATOM 0 HE1 TRP A 159 29.791 0.265 15.179 1.00 14.28 H new ATOM 0 HE3 TRP A 159 27.456 1.090 10.716 1.00 15.51 H new ATOM 0 HZ2 TRP A 159 27.664 2.039 15.314 1.00 14.80 H new ATOM 0 HZ3 TRP A 159 25.954 2.560 11.703 1.00 15.61 H new ATOM 0 HH2 TRP A 159 26.060 3.023 13.975 1.00 17.62 H new ATOM 1073 N LYS A 160 29.346 -2.512 8.064 1.00 15.80 N ATOM 1074 CA LYS A 160 29.288 -2.488 6.608 1.00 16.92 C ATOM 1075 C LYS A 160 27.876 -2.874 6.186 1.00 15.93 C ATOM 1076 O LYS A 160 27.281 -2.238 5.319 1.00 16.65 O ATOM 1077 CB LYS A 160 30.296 -3.476 6.019 1.00 18.81 C ATOM 1078 CG LYS A 160 30.332 -3.508 4.498 1.00 22.31 C ATOM 1079 CD LYS A 160 31.369 -4.512 4.007 1.00 26.96 C ATOM 1080 CE LYS A 160 31.433 -4.567 2.487 1.00 30.56 C ATOM 1081 NZ LYS A 160 31.891 -3.279 1.898 1.00 33.01 N ATOM 0 H LYS A 160 29.854 -3.122 8.394 1.00 15.80 H new ATOM 0 HA LYS A 160 29.509 -1.602 6.282 1.00 16.92 H new ATOM 0 HB2 LYS A 160 31.181 -3.253 6.348 1.00 18.81 H new ATOM 0 HB3 LYS A 160 30.088 -4.366 6.345 1.00 18.81 H new ATOM 0 HG2 LYS A 160 29.457 -3.745 4.154 1.00 22.31 H new ATOM 0 HG3 LYS A 160 30.542 -2.625 4.156 1.00 22.31 H new ATOM 0 HD2 LYS A 160 32.241 -4.273 4.358 1.00 26.96 H new ATOM 0 HD3 LYS A 160 31.155 -5.393 4.353 1.00 26.96 H new ATOM 0 HE2 LYS A 160 32.035 -5.277 2.216 1.00 30.56 H new ATOM 0 HE3 LYS A 160 30.556 -4.788 2.136 1.00 30.56 H new ATOM 0 HZ1 LYS A 160 31.260 -2.958 1.359 1.00 33.01 H new ATOM 0 HZ2 LYS A 160 32.049 -2.694 2.550 1.00 33.01 H new ATOM 0 HZ3 LYS A 160 32.638 -3.414 1.433 1.00 33.01 H new ATOM 1082 N LEU A 161 27.337 -3.913 6.815 1.00 14.98 N ATOM 1083 CA LEU A 161 25.990 -4.362 6.492 1.00 14.83 C ATOM 1084 C LEU A 161 24.975 -3.301 6.881 1.00 14.03 C ATOM 1085 O LEU A 161 24.011 -3.063 6.154 1.00 13.80 O ATOM 1086 CB LEU A 161 25.678 -5.677 7.209 1.00 12.83 C ATOM 1087 CG LEU A 161 26.526 -6.865 6.753 1.00 13.53 C ATOM 1088 CD1 LEU A 161 26.197 -8.074 7.605 1.00 14.78 C ATOM 1089 CD2 LEU A 161 26.257 -7.159 5.280 1.00 12.55 C ATOM 0 H LEU A 161 27.732 -4.369 7.428 1.00 14.98 H new ATOM 0 HA LEU A 161 25.937 -4.511 5.535 1.00 14.83 H new ATOM 0 HB2 LEU A 161 25.805 -5.550 8.162 1.00 12.83 H new ATOM 0 HB3 LEU A 161 24.742 -5.892 7.074 1.00 12.83 H new ATOM 0 HG LEU A 161 27.467 -6.653 6.857 1.00 13.53 H new ATOM 0 HD11 LEU A 161 26.734 -8.829 7.317 1.00 14.78 H new ATOM 0 HD12 LEU A 161 26.389 -7.877 8.535 1.00 14.78 H new ATOM 0 HD13 LEU A 161 25.257 -8.292 7.509 1.00 14.78 H new ATOM 0 HD21 LEU A 161 26.797 -7.913 4.996 1.00 12.55 H new ATOM 0 HD22 LEU A 161 25.318 -7.370 5.158 1.00 12.55 H new ATOM 0 HD23 LEU A 161 26.484 -6.381 4.748 1.00 12.55 H new ATOM 1090 N VAL A 162 25.186 -2.661 8.027 1.00 12.97 N ATOM 1091 CA VAL A 162 24.266 -1.619 8.467 1.00 14.06 C ATOM 1092 C VAL A 162 24.327 -0.438 7.504 1.00 13.04 C ATOM 1093 O VAL A 162 23.295 0.072 7.075 1.00 11.92 O ATOM 1094 CB VAL A 162 24.593 -1.149 9.900 1.00 13.69 C ATOM 1095 CG1 VAL A 162 23.766 0.076 10.250 1.00 15.54 C ATOM 1096 CG2 VAL A 162 24.305 -2.277 10.882 1.00 16.21 C ATOM 0 H VAL A 162 25.846 -2.812 8.557 1.00 12.97 H new ATOM 0 HA VAL A 162 23.369 -1.989 8.472 1.00 14.06 H new ATOM 0 HB VAL A 162 25.532 -0.912 9.953 1.00 13.69 H new ATOM 0 HG11 VAL A 162 23.979 0.363 11.152 1.00 15.54 H new ATOM 0 HG12 VAL A 162 23.968 0.792 9.627 1.00 15.54 H new ATOM 0 HG13 VAL A 162 22.823 -0.144 10.195 1.00 15.54 H new ATOM 0 HG21 VAL A 162 24.510 -1.982 11.783 1.00 16.21 H new ATOM 0 HG22 VAL A 162 23.368 -2.522 10.828 1.00 16.21 H new ATOM 0 HG23 VAL A 162 24.853 -3.046 10.661 1.00 16.21 H new ATOM 1097 N ASP A 163 25.537 -0.008 7.154 1.00 14.52 N ATOM 1098 CA ASP A 163 25.687 1.105 6.225 1.00 14.34 C ATOM 1099 C ASP A 163 25.073 0.771 4.866 1.00 13.77 C ATOM 1100 O ASP A 163 24.437 1.616 4.244 1.00 14.19 O ATOM 1101 CB ASP A 163 27.164 1.475 6.045 1.00 16.18 C ATOM 1102 CG ASP A 163 27.749 2.155 7.268 1.00 18.33 C ATOM 1103 OD1 ASP A 163 26.973 2.739 8.052 1.00 19.60 O ATOM 1104 OD2 ASP A 163 28.986 2.124 7.437 1.00 19.47 O ATOM 0 H ASP A 163 26.275 -0.344 7.440 1.00 14.52 H new ATOM 0 HA ASP A 163 25.217 1.864 6.604 1.00 14.34 H new ATOM 0 HB2 ASP A 163 27.673 0.673 5.851 1.00 16.18 H new ATOM 0 HB3 ASP A 163 27.256 2.062 5.278 1.00 16.18 H new ATOM 1105 N GLU A 164 25.253 -0.464 4.408 1.00 13.68 N ATOM 1106 CA GLU A 164 24.694 -0.861 3.118 1.00 13.60 C ATOM 1107 C GLU A 164 23.166 -0.915 3.176 1.00 13.41 C ATOM 1108 O GLU A 164 22.487 -0.621 2.188 1.00 12.25 O ATOM 1109 CB GLU A 164 25.266 -2.215 2.683 1.00 13.90 C ATOM 1110 CG GLU A 164 26.784 -2.188 2.457 1.00 17.06 C ATOM 1111 CD GLU A 164 27.362 -3.525 2.006 1.00 21.83 C ATOM 1112 OE1 GLU A 164 26.859 -4.580 2.447 1.00 21.64 O ATOM 1113 OE2 GLU A 164 28.339 -3.520 1.222 1.00 20.81 O ATOM 0 H GLU A 164 25.689 -1.080 4.821 1.00 13.68 H new ATOM 0 HA GLU A 164 24.945 -0.193 2.460 1.00 13.60 H new ATOM 0 HB2 GLU A 164 25.058 -2.879 3.358 1.00 13.90 H new ATOM 0 HB3 GLU A 164 24.828 -2.496 1.864 1.00 13.90 H new ATOM 0 HG2 GLU A 164 26.992 -1.514 1.791 1.00 17.06 H new ATOM 0 HG3 GLU A 164 27.220 -1.917 3.280 1.00 17.06 H new ATOM 1114 N ALA A 165 22.629 -1.288 4.335 1.00 13.39 N ATOM 1115 CA ALA A 165 21.184 -1.356 4.518 1.00 12.48 C ATOM 1116 C ALA A 165 20.616 0.053 4.435 1.00 12.72 C ATOM 1117 O ALA A 165 19.606 0.287 3.769 1.00 12.55 O ATOM 1118 CB ALA A 165 20.847 -1.979 5.879 1.00 12.61 C ATOM 0 H ALA A 165 23.087 -1.506 5.029 1.00 13.39 H new ATOM 0 HA ALA A 165 20.794 -1.911 3.825 1.00 12.48 H new ATOM 0 HB1 ALA A 165 19.884 -2.018 5.988 1.00 12.61 H new ATOM 0 HB2 ALA A 165 21.214 -2.876 5.924 1.00 12.61 H new ATOM 0 HB3 ALA A 165 21.230 -1.437 6.587 1.00 12.61 H new ATOM 1119 N GLU A 166 21.263 0.992 5.122 1.00 12.14 N ATOM 1120 CA GLU A 166 20.819 2.381 5.098 1.00 13.81 C ATOM 1121 C GLU A 166 20.888 2.886 3.670 1.00 13.18 C ATOM 1122 O GLU A 166 19.986 3.574 3.195 1.00 13.36 O ATOM 1123 CB GLU A 166 21.717 3.263 5.967 1.00 17.13 C ATOM 1124 CG GLU A 166 21.577 3.058 7.461 1.00 20.59 C ATOM 1125 CD GLU A 166 22.374 4.084 8.251 1.00 24.24 C ATOM 1126 OE1 GLU A 166 22.244 4.118 9.491 1.00 24.40 O ATOM 1127 OE2 GLU A 166 23.135 4.858 7.629 1.00 26.93 O ATOM 0 H GLU A 166 21.959 0.845 5.606 1.00 12.14 H new ATOM 0 HA GLU A 166 19.913 2.422 5.443 1.00 13.81 H new ATOM 0 HB2 GLU A 166 22.641 3.102 5.719 1.00 17.13 H new ATOM 0 HB3 GLU A 166 21.526 4.192 5.764 1.00 17.13 H new ATOM 0 HG2 GLU A 166 20.641 3.116 7.709 1.00 20.59 H new ATOM 0 HG3 GLU A 166 21.878 2.166 7.694 1.00 20.59 H new ATOM 1128 N GLU A 167 21.977 2.544 2.991 1.00 12.48 N ATOM 1129 CA GLU A 167 22.168 2.970 1.614 1.00 14.22 C ATOM 1130 C GLU A 167 21.010 2.488 0.749 1.00 13.68 C ATOM 1131 O GLU A 167 20.468 3.250 -0.048 1.00 14.25 O ATOM 1132 CB GLU A 167 23.498 2.430 1.082 1.00 14.12 C ATOM 1133 CG GLU A 167 23.793 2.751 -0.375 1.00 15.97 C ATOM 1134 CD GLU A 167 23.747 4.237 -0.686 1.00 16.99 C ATOM 1135 OE1 GLU A 167 24.239 5.045 0.132 1.00 18.35 O ATOM 1136 OE2 GLU A 167 23.229 4.596 -1.763 1.00 19.42 O ATOM 0 H GLU A 167 22.616 2.066 3.311 1.00 12.48 H new ATOM 0 HA GLU A 167 22.191 3.939 1.582 1.00 14.22 H new ATOM 0 HB2 GLU A 167 24.216 2.786 1.628 1.00 14.12 H new ATOM 0 HB3 GLU A 167 23.507 1.467 1.194 1.00 14.12 H new ATOM 0 HG2 GLU A 167 24.670 2.406 -0.604 1.00 15.97 H new ATOM 0 HG3 GLU A 167 23.151 2.290 -0.937 1.00 15.97 H new ATOM 1137 N TRP A 168 20.615 1.229 0.915 1.00 12.62 N ATOM 1138 CA TRP A 168 19.513 0.692 0.128 1.00 12.60 C ATOM 1139 C TRP A 168 18.223 1.468 0.404 1.00 12.93 C ATOM 1140 O TRP A 168 17.511 1.865 -0.522 1.00 13.55 O ATOM 1141 CB TRP A 168 19.287 -0.792 0.445 1.00 12.49 C ATOM 1142 CG TRP A 168 18.299 -1.429 -0.492 1.00 14.15 C ATOM 1143 CD1 TRP A 168 18.558 -1.942 -1.733 1.00 14.26 C ATOM 1144 CD2 TRP A 168 16.884 -1.535 -0.303 1.00 13.91 C ATOM 1145 NE1 TRP A 168 17.389 -2.356 -2.329 1.00 14.39 N ATOM 1146 CE2 TRP A 168 16.347 -2.118 -1.473 1.00 14.38 C ATOM 1147 CE3 TRP A 168 16.015 -1.190 0.743 1.00 13.60 C ATOM 1148 CZ2 TRP A 168 14.977 -2.365 -1.628 1.00 13.58 C ATOM 1149 CZ3 TRP A 168 14.651 -1.436 0.587 1.00 14.08 C ATOM 1150 CH2 TRP A 168 14.149 -2.018 -0.590 1.00 12.87 C ATOM 0 H TRP A 168 20.968 0.676 1.471 1.00 12.62 H new ATOM 0 HA TRP A 168 19.749 0.785 -0.808 1.00 12.60 H new ATOM 0 HB2 TRP A 168 20.132 -1.265 0.391 1.00 12.49 H new ATOM 0 HB3 TRP A 168 18.969 -0.881 1.357 1.00 12.49 H new ATOM 0 HD1 TRP A 168 19.402 -2.002 -2.118 1.00 14.26 H new ATOM 0 HE1 TRP A 168 17.323 -2.707 -3.111 1.00 14.39 H new ATOM 0 HE3 TRP A 168 16.342 -0.805 1.524 1.00 13.60 H new ATOM 0 HZ2 TRP A 168 14.641 -2.750 -2.405 1.00 13.58 H new ATOM 0 HZ3 TRP A 168 14.064 -1.211 1.273 1.00 14.08 H new ATOM 0 HH2 TRP A 168 13.235 -2.171 -0.667 1.00 12.87 H new ATOM 1151 N LEU A 169 17.922 1.679 1.683 1.00 13.01 N ATOM 1152 CA LEU A 169 16.709 2.394 2.072 1.00 13.96 C ATOM 1153 C LEU A 169 16.606 3.782 1.459 1.00 15.71 C ATOM 1154 O LEU A 169 15.521 4.223 1.078 1.00 14.03 O ATOM 1155 CB LEU A 169 16.635 2.531 3.591 1.00 13.71 C ATOM 1156 CG LEU A 169 16.457 1.269 4.427 1.00 11.69 C ATOM 1157 CD1 LEU A 169 16.536 1.639 5.899 1.00 13.62 C ATOM 1158 CD2 LEU A 169 15.120 0.613 4.111 1.00 13.82 C ATOM 0 H LEU A 169 18.408 1.416 2.342 1.00 13.01 H new ATOM 0 HA LEU A 169 15.970 1.863 1.735 1.00 13.96 H new ATOM 0 HB2 LEU A 169 17.448 2.969 3.888 1.00 13.71 H new ATOM 0 HB3 LEU A 169 15.899 3.128 3.798 1.00 13.71 H new ATOM 0 HG LEU A 169 17.160 0.634 4.217 1.00 11.69 H new ATOM 0 HD11 LEU A 169 16.424 0.842 6.440 1.00 13.62 H new ATOM 0 HD12 LEU A 169 17.400 2.037 6.087 1.00 13.62 H new ATOM 0 HD13 LEU A 169 15.835 2.274 6.111 1.00 13.62 H new ATOM 0 HD21 LEU A 169 15.017 -0.188 4.648 1.00 13.82 H new ATOM 0 HD22 LEU A 169 14.400 1.231 4.313 1.00 13.82 H new ATOM 0 HD23 LEU A 169 15.089 0.377 3.171 1.00 13.82 H new ATOM 1159 N ASN A 170 17.739 4.466 1.363 1.00 15.08 N ATOM 1160 CA ASN A 170 17.754 5.816 0.823 1.00 17.16 C ATOM 1161 C ASN A 170 17.788 5.912 -0.697 1.00 17.88 C ATOM 1162 O ASN A 170 17.770 7.014 -1.245 1.00 19.89 O ATOM 1163 CB ASN A 170 18.923 6.603 1.419 1.00 17.92 C ATOM 1164 CG ASN A 170 18.723 6.910 2.891 1.00 20.52 C ATOM 1165 OD1 ASN A 170 19.304 6.261 3.763 1.00 23.47 O ATOM 1166 ND2 ASN A 170 17.885 7.897 3.176 1.00 21.82 N ATOM 0 H ASN A 170 18.508 4.166 1.605 1.00 15.08 H new ATOM 0 HA ASN A 170 16.903 6.201 1.083 1.00 17.16 H new ATOM 0 HB2 ASN A 170 19.742 6.096 1.305 1.00 17.92 H new ATOM 0 HB3 ASN A 170 19.033 7.433 0.930 1.00 17.92 H new ATOM 0 HD21 ASN A 170 17.729 8.106 3.996 1.00 21.82 H new ATOM 0 HD22 ASN A 170 17.497 8.329 2.541 1.00 21.82 H new ATOM 1167 N THR A 171 17.828 4.768 -1.374 1.00 16.33 N ATOM 1168 CA THR A 171 17.856 4.754 -2.832 1.00 15.50 C ATOM 1169 C THR A 171 16.751 3.896 -3.442 1.00 15.40 C ATOM 1170 O THR A 171 16.746 3.648 -4.645 1.00 14.67 O ATOM 1171 CB THR A 171 19.214 4.250 -3.365 1.00 15.79 C ATOM 1172 OG1 THR A 171 19.574 3.029 -2.703 1.00 16.11 O ATOM 1173 CG2 THR A 171 20.289 5.293 -3.127 1.00 14.78 C ATOM 0 H THR A 171 17.840 3.990 -1.008 1.00 16.33 H new ATOM 0 HA THR A 171 17.713 5.675 -3.099 1.00 15.50 H new ATOM 0 HB THR A 171 19.135 4.088 -4.318 1.00 15.79 H new ATOM 0 HG1 THR A 171 19.815 3.197 -1.916 1.00 16.11 H new ATOM 0 HG21 THR A 171 21.137 4.967 -3.465 1.00 14.78 H new ATOM 0 HG22 THR A 171 20.052 6.113 -3.587 1.00 14.78 H new ATOM 0 HG23 THR A 171 20.366 5.467 -2.176 1.00 14.78 H new ATOM 1174 N HIS A 172 15.822 3.434 -2.613 1.00 14.21 N ATOM 1175 CA HIS A 172 14.723 2.617 -3.110 1.00 13.97 C ATOM 1176 C HIS A 172 13.419 3.005 -2.432 1.00 15.22 C ATOM 1177 O HIS A 172 13.422 3.702 -1.417 1.00 16.54 O ATOM 1178 CB HIS A 172 15.010 1.128 -2.880 1.00 13.57 C ATOM 1179 CG HIS A 172 16.200 0.622 -3.632 1.00 12.14 C ATOM 1180 ND1 HIS A 172 17.495 0.887 -3.241 1.00 13.48 N ATOM 1181 CD2 HIS A 172 16.293 -0.087 -4.783 1.00 14.35 C ATOM 1182 CE1 HIS A 172 18.335 0.368 -4.119 1.00 14.15 C ATOM 1183 NE2 HIS A 172 17.631 -0.228 -5.065 1.00 14.07 N ATOM 0 H HIS A 172 15.809 3.581 -1.766 1.00 14.21 H new ATOM 0 HA HIS A 172 14.638 2.774 -4.063 1.00 13.97 H new ATOM 0 HB2 HIS A 172 15.148 0.976 -1.932 1.00 13.57 H new ATOM 0 HB3 HIS A 172 14.230 0.613 -3.139 1.00 13.57 H new ATOM 0 HD1 HIS A 172 17.721 1.323 -2.535 1.00 13.48 H new ATOM 0 HD2 HIS A 172 15.585 -0.416 -5.288 1.00 14.35 H new ATOM 0 HE1 HIS A 172 19.263 0.414 -4.078 1.00 14.15 H new ATOM 1184 N THR A 173 12.307 2.554 -3.003 1.00 15.85 N ATOM 1185 CA THR A 173 10.996 2.855 -2.451 1.00 16.19 C ATOM 1186 C THR A 173 10.247 1.589 -2.086 1.00 15.03 C ATOM 1187 O THR A 173 10.561 0.497 -2.566 1.00 15.29 O ATOM 1188 CB THR A 173 10.115 3.632 -3.448 1.00 17.92 C ATOM 1189 OG1 THR A 173 9.887 2.825 -4.610 1.00 21.13 O ATOM 1190 CG2 THR A 173 10.786 4.931 -3.850 1.00 21.49 C ATOM 0 H THR A 173 12.292 2.070 -3.714 1.00 15.85 H new ATOM 0 HA THR A 173 11.161 3.395 -1.662 1.00 16.19 H new ATOM 0 HB THR A 173 9.268 3.841 -3.023 1.00 17.92 H new ATOM 0 HG1 THR A 173 9.195 2.362 -4.498 1.00 21.13 H new ATOM 0 HG21 THR A 173 10.220 5.408 -4.477 1.00 21.49 H new ATOM 0 HG22 THR A 173 10.929 5.479 -3.062 1.00 21.49 H new ATOM 0 HG23 THR A 173 11.640 4.739 -4.268 1.00 21.49 H new ATOM 1191 N TYR A 174 9.244 1.757 -1.234 1.00 15.24 N ATOM 1192 CA TYR A 174 8.409 0.650 -0.791 1.00 15.84 C ATOM 1193 C TYR A 174 7.303 1.200 0.082 1.00 15.04 C ATOM 1194 O TYR A 174 7.426 2.287 0.648 1.00 15.15 O ATOM 1195 CB TYR A 174 9.239 -0.347 0.014 1.00 15.80 C ATOM 1196 CG TYR A 174 10.022 0.305 1.128 1.00 17.66 C ATOM 1197 CD1 TYR A 174 9.442 0.559 2.373 1.00 17.71 C ATOM 1198 CD2 TYR A 174 11.333 0.727 0.913 1.00 19.80 C ATOM 1199 CE1 TYR A 174 10.156 1.225 3.376 1.00 20.09 C ATOM 1200 CE2 TYR A 174 12.048 1.389 1.898 1.00 21.78 C ATOM 1201 CZ TYR A 174 11.458 1.637 3.123 1.00 21.04 C ATOM 1202 OH TYR A 174 12.181 2.315 4.076 1.00 23.12 O ATOM 0 H TYR A 174 9.028 2.518 -0.896 1.00 15.24 H new ATOM 0 HA TYR A 174 8.037 0.196 -1.563 1.00 15.84 H new ATOM 0 HB2 TYR A 174 8.651 -1.021 0.389 1.00 15.80 H new ATOM 0 HB3 TYR A 174 9.853 -0.805 -0.581 1.00 15.80 H new ATOM 0 HD1 TYR A 174 8.570 0.282 2.538 1.00 17.71 H new ATOM 0 HD2 TYR A 174 11.736 0.561 0.092 1.00 19.80 H new ATOM 0 HE1 TYR A 174 9.763 1.390 4.203 1.00 20.09 H new ATOM 0 HE2 TYR A 174 12.921 1.665 1.736 1.00 21.78 H new ATOM 0 HH TYR A 174 11.658 2.752 4.567 1.00 23.12 H new ATOM 1203 N GLU A 175 6.213 0.454 0.183 1.00 16.30 N ATOM 1204 CA GLU A 175 5.116 0.880 1.032 1.00 16.67 C ATOM 1205 C GLU A 175 4.794 -0.192 2.045 1.00 15.10 C ATOM 1206 O GLU A 175 3.787 -0.117 2.738 1.00 14.94 O ATOM 1207 CB GLU A 175 3.881 1.213 0.209 1.00 21.85 C ATOM 1208 CG GLU A 175 3.766 0.441 -1.062 1.00 29.26 C ATOM 1209 CD GLU A 175 3.250 1.314 -2.171 1.00 34.12 C ATOM 1210 OE1 GLU A 175 2.019 1.507 -2.257 1.00 36.46 O ATOM 1211 OE2 GLU A 175 4.088 1.823 -2.941 1.00 38.46 O ATOM 0 H GLU A 175 6.090 -0.292 -0.226 1.00 16.30 H new ATOM 0 HA GLU A 175 5.392 1.684 1.499 1.00 16.67 H new ATOM 0 HB2 GLU A 175 3.092 1.048 0.748 1.00 21.85 H new ATOM 0 HB3 GLU A 175 3.890 2.160 0.000 1.00 21.85 H new ATOM 0 HG2 GLU A 175 4.633 0.080 -1.306 1.00 29.26 H new ATOM 0 HG3 GLU A 175 3.170 -0.313 -0.934 1.00 29.26 H new ATOM 1212 N THR A 176 5.677 -1.181 2.128 1.00 14.52 N ATOM 1213 CA THR A 176 5.534 -2.290 3.063 1.00 13.51 C ATOM 1214 C THR A 176 5.264 -1.785 4.478 1.00 14.55 C ATOM 1215 O THR A 176 6.089 -1.077 5.056 1.00 13.69 O ATOM 1216 CB THR A 176 6.828 -3.118 3.133 1.00 13.54 C ATOM 1217 OG1 THR A 176 7.199 -3.548 1.817 1.00 14.24 O ATOM 1218 CG2 THR A 176 6.636 -4.324 4.040 1.00 13.80 C ATOM 0 H THR A 176 6.383 -1.227 1.638 1.00 14.52 H new ATOM 0 HA THR A 176 4.793 -2.827 2.741 1.00 13.51 H new ATOM 0 HB THR A 176 7.535 -2.565 3.500 1.00 13.54 H new ATOM 0 HG1 THR A 176 6.662 -4.138 1.553 1.00 14.24 H new ATOM 0 HG21 THR A 176 7.459 -4.837 4.075 1.00 13.80 H new ATOM 0 HG22 THR A 176 6.404 -4.024 4.933 1.00 13.80 H new ATOM 0 HG23 THR A 176 5.923 -4.881 3.691 1.00 13.80 H new ATOM 1219 N PRO A 177 4.104 -2.133 5.056 1.00 12.28 N ATOM 1220 CA PRO A 177 3.847 -1.659 6.419 1.00 12.22 C ATOM 1221 C PRO A 177 4.768 -2.411 7.385 1.00 12.36 C ATOM 1222 O PRO A 177 4.883 -3.631 7.304 1.00 12.78 O ATOM 1223 CB PRO A 177 2.376 -2.024 6.647 1.00 12.95 C ATOM 1224 CG PRO A 177 1.801 -2.055 5.260 1.00 12.52 C ATOM 1225 CD PRO A 177 2.894 -2.735 4.471 1.00 12.74 C ATOM 0 HA PRO A 177 4.012 -0.713 6.554 1.00 12.22 H new ATOM 0 HB2 PRO A 177 2.286 -2.882 7.090 1.00 12.95 H new ATOM 0 HB3 PRO A 177 1.928 -1.369 7.204 1.00 12.95 H new ATOM 0 HG2 PRO A 177 0.968 -2.551 5.225 1.00 12.52 H new ATOM 0 HG3 PRO A 177 1.615 -1.164 4.926 1.00 12.52 H new ATOM 0 HD2 PRO A 177 2.877 -3.699 4.581 1.00 12.74 H new ATOM 0 HD3 PRO A 177 2.822 -2.557 3.520 1.00 12.74 H new ATOM 1226 N ILE A 178 5.439 -1.685 8.274 1.00 12.36 N ATOM 1227 CA ILE A 178 6.316 -2.322 9.251 1.00 12.49 C ATOM 1228 C ILE A 178 5.556 -2.228 10.561 1.00 12.80 C ATOM 1229 O ILE A 178 5.442 -1.156 11.167 1.00 14.75 O ATOM 1230 CB ILE A 178 7.673 -1.610 9.332 1.00 13.28 C ATOM 1231 CG1 ILE A 178 8.338 -1.655 7.951 1.00 13.67 C ATOM 1232 CG2 ILE A 178 8.569 -2.297 10.355 1.00 13.75 C ATOM 1233 CD1 ILE A 178 9.657 -0.938 7.867 1.00 17.85 C ATOM 0 H ILE A 178 5.401 -0.828 8.328 1.00 12.36 H new ATOM 0 HA ILE A 178 6.523 -3.240 9.016 1.00 12.49 H new ATOM 0 HB ILE A 178 7.539 -0.689 9.607 1.00 13.28 H new ATOM 0 HG12 ILE A 178 8.471 -2.582 7.699 1.00 13.67 H new ATOM 0 HG13 ILE A 178 7.731 -1.269 7.300 1.00 13.67 H new ATOM 0 HG21 ILE A 178 9.423 -1.839 10.397 1.00 13.75 H new ATOM 0 HG22 ILE A 178 8.145 -2.270 11.227 1.00 13.75 H new ATOM 0 HG23 ILE A 178 8.711 -3.220 10.093 1.00 13.75 H new ATOM 0 HD11 ILE A 178 10.010 -1.013 6.966 1.00 17.85 H new ATOM 0 HD12 ILE A 178 9.531 -0.002 8.088 1.00 17.85 H new ATOM 0 HD13 ILE A 178 10.282 -1.336 8.493 1.00 17.85 H new ATOM 1234 N LEU A 179 5.017 -3.369 10.969 1.00 12.26 N ATOM 1235 CA LEU A 179 4.183 -3.474 12.156 1.00 12.48 C ATOM 1236 C LEU A 179 4.863 -3.988 13.409 1.00 12.05 C ATOM 1237 O LEU A 179 5.739 -4.849 13.353 1.00 13.56 O ATOM 1238 CB LEU A 179 2.991 -4.376 11.843 1.00 12.18 C ATOM 1239 CG LEU A 179 2.257 -4.083 10.533 1.00 12.65 C ATOM 1240 CD1 LEU A 179 1.200 -5.153 10.311 1.00 12.86 C ATOM 1241 CD2 LEU A 179 1.634 -2.700 10.574 1.00 15.56 C ATOM 0 H LEU A 179 5.128 -4.116 10.557 1.00 12.26 H new ATOM 0 HA LEU A 179 3.926 -2.562 12.363 1.00 12.48 H new ATOM 0 HB2 LEU A 179 3.300 -5.295 11.822 1.00 12.18 H new ATOM 0 HB3 LEU A 179 2.355 -4.307 12.572 1.00 12.18 H new ATOM 0 HG LEU A 179 2.885 -4.099 9.794 1.00 12.65 H new ATOM 0 HD11 LEU A 179 0.729 -4.976 9.482 1.00 12.86 H new ATOM 0 HD12 LEU A 179 1.626 -6.023 10.261 1.00 12.86 H new ATOM 0 HD13 LEU A 179 0.570 -5.144 11.049 1.00 12.86 H new ATOM 0 HD21 LEU A 179 1.173 -2.528 9.738 1.00 15.56 H new ATOM 0 HD22 LEU A 179 1.002 -2.651 11.308 1.00 15.56 H new ATOM 0 HD23 LEU A 179 2.329 -2.035 10.702 1.00 15.56 H new ATOM 1242 N LYS A 180 4.418 -3.465 14.545 1.00 12.60 N ATOM 1243 CA LYS A 180 4.947 -3.863 15.836 1.00 12.37 C ATOM 1244 C LYS A 180 4.270 -5.153 16.283 1.00 12.42 C ATOM 1245 O LYS A 180 3.044 -5.206 16.408 1.00 12.79 O ATOM 1246 CB LYS A 180 4.679 -2.768 16.875 1.00 13.86 C ATOM 1247 CG LYS A 180 5.080 -3.134 18.311 1.00 13.99 C ATOM 1248 CD LYS A 180 6.593 -3.242 18.461 1.00 13.34 C ATOM 1249 CE LYS A 180 7.009 -3.521 19.900 1.00 13.96 C ATOM 1250 NZ LYS A 180 6.581 -4.857 20.393 1.00 13.34 N ATOM 0 H LYS A 180 3.800 -2.869 14.586 1.00 12.60 H new ATOM 0 HA LYS A 180 5.904 -4.001 15.757 1.00 12.37 H new ATOM 0 HB2 LYS A 180 5.158 -1.966 16.613 1.00 13.86 H new ATOM 0 HB3 LYS A 180 3.734 -2.551 16.862 1.00 13.86 H new ATOM 0 HG2 LYS A 180 4.741 -2.463 18.924 1.00 13.99 H new ATOM 0 HG3 LYS A 180 4.669 -3.977 18.558 1.00 13.99 H new ATOM 0 HD2 LYS A 180 6.924 -3.951 17.887 1.00 13.34 H new ATOM 0 HD3 LYS A 180 7.006 -2.417 18.160 1.00 13.34 H new ATOM 0 HE2 LYS A 180 7.974 -3.453 19.969 1.00 13.96 H new ATOM 0 HE3 LYS A 180 6.634 -2.836 20.476 1.00 13.96 H new ATOM 0 HZ1 LYS A 180 6.003 -4.756 21.062 1.00 13.34 H new ATOM 0 HZ2 LYS A 180 6.192 -5.307 19.731 1.00 13.34 H new ATOM 0 HZ3 LYS A 180 7.292 -5.309 20.681 1.00 13.34 H new ATOM 1251 N TRP A 181 5.066 -6.193 16.503 1.00 14.01 N ATOM 1252 CA TRP A 181 4.530 -7.459 16.978 1.00 13.91 C ATOM 1253 C TRP A 181 4.296 -7.279 18.476 1.00 14.82 C ATOM 1254 O TRP A 181 5.223 -6.966 19.222 1.00 15.18 O ATOM 1255 CB TRP A 181 5.527 -8.594 16.724 1.00 14.05 C ATOM 1256 CG TRP A 181 5.060 -9.912 17.248 1.00 14.25 C ATOM 1257 CD1 TRP A 181 5.339 -10.460 18.469 1.00 12.23 C ATOM 1258 CD2 TRP A 181 4.177 -10.825 16.591 1.00 14.00 C ATOM 1259 NE1 TRP A 181 4.680 -11.660 18.613 1.00 14.71 N ATOM 1260 CE2 TRP A 181 3.958 -11.906 17.474 1.00 14.52 C ATOM 1261 CE3 TRP A 181 3.542 -10.831 15.341 1.00 14.71 C ATOM 1262 CZ2 TRP A 181 3.130 -12.988 17.144 1.00 14.42 C ATOM 1263 CZ3 TRP A 181 2.719 -11.904 15.014 1.00 13.14 C ATOM 1264 CH2 TRP A 181 2.521 -12.967 15.914 1.00 13.91 C ATOM 0 H TRP A 181 5.918 -6.185 16.383 1.00 14.01 H new ATOM 0 HA TRP A 181 3.710 -7.693 16.515 1.00 13.91 H new ATOM 0 HB2 TRP A 181 5.687 -8.669 15.770 1.00 14.05 H new ATOM 0 HB3 TRP A 181 6.376 -8.370 17.137 1.00 14.05 H new ATOM 0 HD1 TRP A 181 5.894 -10.077 19.110 1.00 12.23 H new ATOM 0 HE1 TRP A 181 4.715 -12.171 19.304 1.00 14.71 H new ATOM 0 HE3 TRP A 181 3.669 -10.131 14.742 1.00 14.71 H new ATOM 0 HZ2 TRP A 181 2.998 -13.693 17.736 1.00 14.42 H new ATOM 0 HZ3 TRP A 181 2.293 -11.919 14.187 1.00 13.14 H new ATOM 0 HH2 TRP A 181 1.965 -13.671 15.670 1.00 13.91 H new ATOM 1265 N GLN A 182 3.052 -7.460 18.911 1.00 15.73 N ATOM 1266 CA GLN A 182 2.703 -7.286 20.320 1.00 17.90 C ATOM 1267 C GLN A 182 2.956 -8.553 21.129 1.00 18.36 C ATOM 1268 O GLN A 182 2.052 -9.348 21.390 1.00 19.39 O ATOM 1269 CB GLN A 182 1.242 -6.840 20.427 1.00 21.47 C ATOM 1270 CG GLN A 182 0.975 -5.528 19.693 1.00 26.34 C ATOM 1271 CD GLN A 182 -0.444 -5.025 19.861 1.00 30.79 C ATOM 1272 OE1 GLN A 182 -0.919 -4.837 20.980 1.00 34.16 O ATOM 1273 NE2 GLN A 182 -1.127 -4.794 18.745 1.00 32.79 N ATOM 0 H GLN A 182 2.393 -7.684 18.406 1.00 15.73 H new ATOM 0 HA GLN A 182 3.275 -6.600 20.698 1.00 17.90 H new ATOM 0 HB2 GLN A 182 0.668 -7.533 20.064 1.00 21.47 H new ATOM 0 HB3 GLN A 182 1.006 -6.738 21.362 1.00 21.47 H new ATOM 0 HG2 GLN A 182 1.591 -4.852 20.017 1.00 26.34 H new ATOM 0 HG3 GLN A 182 1.158 -5.650 18.748 1.00 26.34 H new ATOM 0 HE21 GLN A 182 -0.762 -4.937 17.980 1.00 32.79 H new ATOM 0 HE22 GLN A 182 -1.934 -4.501 18.788 1.00 32.79 H new ATOM 1274 N THR A 183 4.209 -8.719 21.531 1.00 17.97 N ATOM 1275 CA THR A 183 4.653 -9.877 22.288 1.00 17.62 C ATOM 1276 C THR A 183 3.883 -10.116 23.579 1.00 18.76 C ATOM 1277 O THR A 183 3.599 -11.260 23.927 1.00 18.06 O ATOM 1278 CB THR A 183 6.147 -9.751 22.625 1.00 17.58 C ATOM 1279 OG1 THR A 183 6.888 -9.541 21.413 1.00 15.27 O ATOM 1280 CG2 THR A 183 6.649 -11.009 23.314 1.00 17.07 C ATOM 0 H THR A 183 4.835 -8.152 21.368 1.00 17.97 H new ATOM 0 HA THR A 183 4.483 -10.639 21.712 1.00 17.62 H new ATOM 0 HB THR A 183 6.271 -8.999 23.225 1.00 17.58 H new ATOM 0 HG1 THR A 183 7.449 -8.926 21.530 1.00 15.27 H new ATOM 0 HG21 THR A 183 7.592 -10.912 23.519 1.00 17.07 H new ATOM 0 HG22 THR A 183 6.153 -11.148 24.136 1.00 17.07 H new ATOM 0 HG23 THR A 183 6.523 -11.771 22.728 1.00 17.07 H new ATOM 1281 N ASP A 184 3.546 -9.037 24.277 1.00 22.06 N ATOM 1282 CA ASP A 184 2.829 -9.131 25.545 1.00 24.71 C ATOM 1283 C ASP A 184 1.399 -9.633 25.393 1.00 25.92 C ATOM 1284 O ASP A 184 0.724 -9.905 26.384 1.00 27.49 O ATOM 1285 CB ASP A 184 2.834 -7.768 26.248 1.00 27.73 C ATOM 1286 CG ASP A 184 2.056 -6.707 25.485 1.00 30.66 C ATOM 1287 OD1 ASP A 184 2.125 -6.683 24.237 1.00 32.56 O ATOM 1288 OD2 ASP A 184 1.384 -5.880 26.139 1.00 33.72 O ATOM 0 H ASP A 184 3.725 -8.233 24.031 1.00 22.06 H new ATOM 0 HA ASP A 184 3.298 -9.788 26.083 1.00 24.71 H new ATOM 0 HB2 ASP A 184 2.455 -7.865 27.135 1.00 27.73 H new ATOM 0 HB3 ASP A 184 3.750 -7.471 26.362 1.00 27.73 H new ATOM 1289 N LYS A 185 0.940 -9.761 24.154 1.00 25.32 N ATOM 1290 CA LYS A 185 -0.415 -10.229 23.902 1.00 25.81 C ATOM 1291 C LYS A 185 -0.455 -11.465 23.015 1.00 25.04 C ATOM 1292 O LYS A 185 -1.314 -12.330 23.182 1.00 24.77 O ATOM 1293 CB LYS A 185 -1.239 -9.123 23.245 1.00 26.74 C ATOM 1294 CG LYS A 185 -1.414 -7.885 24.094 1.00 30.17 C ATOM 1295 CD LYS A 185 -2.270 -6.855 23.378 1.00 32.71 C ATOM 1296 CE LYS A 185 -2.445 -5.604 24.225 1.00 35.69 C ATOM 1297 NZ LYS A 185 -3.296 -4.593 23.542 1.00 38.01 N ATOM 0 H LYS A 185 1.396 -9.582 23.447 1.00 25.32 H new ATOM 0 HA LYS A 185 -0.790 -10.469 24.764 1.00 25.81 H new ATOM 0 HB2 LYS A 185 -0.815 -8.872 22.410 1.00 26.74 H new ATOM 0 HB3 LYS A 185 -2.115 -9.476 23.023 1.00 26.74 H new ATOM 0 HG2 LYS A 185 -1.827 -8.123 24.939 1.00 30.17 H new ATOM 0 HG3 LYS A 185 -0.546 -7.504 24.300 1.00 30.17 H new ATOM 0 HD2 LYS A 185 -1.859 -6.621 22.531 1.00 32.71 H new ATOM 0 HD3 LYS A 185 -3.139 -7.236 23.176 1.00 32.71 H new ATOM 0 HE2 LYS A 185 -2.845 -5.842 25.076 1.00 35.69 H new ATOM 0 HE3 LYS A 185 -1.576 -5.219 24.418 1.00 35.69 H new ATOM 0 HZ1 LYS A 185 -3.379 -3.875 24.061 1.00 38.01 H new ATOM 0 HZ2 LYS A 185 -2.918 -4.359 22.771 1.00 38.01 H new ATOM 0 HZ3 LYS A 185 -4.101 -4.939 23.384 1.00 38.01 H new ATOM 1298 N TRP A 186 0.482 -11.552 22.077 1.00 22.35 N ATOM 1299 CA TRP A 186 0.509 -12.667 21.147 1.00 21.48 C ATOM 1300 C TRP A 186 1.604 -13.694 21.383 1.00 20.89 C ATOM 1301 O TRP A 186 1.658 -14.712 20.697 1.00 21.85 O ATOM 1302 CB TRP A 186 0.623 -12.140 19.711 1.00 20.55 C ATOM 1303 CG TRP A 186 -0.333 -11.032 19.382 1.00 20.93 C ATOM 1304 CD1 TRP A 186 -1.571 -10.819 19.929 1.00 22.58 C ATOM 1305 CD2 TRP A 186 -0.153 -10.010 18.393 1.00 20.71 C ATOM 1306 NE1 TRP A 186 -2.168 -9.730 19.341 1.00 22.01 N ATOM 1307 CE2 TRP A 186 -1.318 -9.216 18.391 1.00 20.93 C ATOM 1308 CE3 TRP A 186 0.881 -9.691 17.501 1.00 18.98 C ATOM 1309 CZ2 TRP A 186 -1.481 -8.120 17.537 1.00 22.01 C ATOM 1310 CZ3 TRP A 186 0.721 -8.602 16.650 1.00 18.86 C ATOM 1311 CH2 TRP A 186 -0.451 -7.831 16.674 1.00 21.44 C ATOM 0 H TRP A 186 1.110 -10.975 21.964 1.00 22.35 H new ATOM 0 HA TRP A 186 -0.327 -13.136 21.298 1.00 21.48 H new ATOM 0 HB2 TRP A 186 1.529 -11.826 19.564 1.00 20.55 H new ATOM 0 HB3 TRP A 186 0.474 -12.875 19.095 1.00 20.55 H new ATOM 0 HD1 TRP A 186 -1.952 -11.337 20.601 1.00 22.58 H new ATOM 0 HE1 TRP A 186 -2.946 -9.421 19.536 1.00 22.01 H new ATOM 0 HE3 TRP A 186 1.660 -10.198 17.479 1.00 18.98 H new ATOM 0 HZ2 TRP A 186 -2.256 -7.607 17.553 1.00 22.01 H new ATOM 0 HZ3 TRP A 186 1.402 -8.382 16.056 1.00 18.86 H new ATOM 0 HH2 TRP A 186 -0.533 -7.109 16.094 1.00 21.44 H new ATOM 1312 N GLY A 187 2.475 -13.441 22.351 1.00 19.56 N ATOM 1313 CA GLY A 187 3.555 -14.374 22.605 1.00 18.96 C ATOM 1314 C GLY A 187 4.750 -13.951 21.774 1.00 18.31 C ATOM 1315 O GLY A 187 4.692 -12.928 21.097 1.00 17.80 O ATOM 0 H GLY A 187 2.458 -12.749 22.861 1.00 19.56 H new ATOM 0 HA2 GLY A 187 3.783 -14.379 23.548 1.00 18.96 H new ATOM 0 HA3 GLY A 187 3.284 -15.276 22.374 1.00 18.96 H new ATOM 1316 N GLU A 188 5.822 -14.732 21.807 1.00 17.69 N ATOM 1317 CA GLU A 188 7.019 -14.380 21.055 1.00 18.83 C ATOM 1318 C GLU A 188 6.861 -14.430 19.546 1.00 17.01 C ATOM 1319 O GLU A 188 6.180 -15.300 19.006 1.00 17.15 O ATOM 1320 CB GLU A 188 8.182 -15.270 21.468 1.00 21.91 C ATOM 1321 CG GLU A 188 8.694 -14.949 22.857 1.00 28.12 C ATOM 1322 CD GLU A 188 10.056 -15.540 23.108 1.00 30.86 C ATOM 1323 OE1 GLU A 188 10.154 -16.778 23.246 1.00 33.33 O ATOM 1324 OE2 GLU A 188 11.029 -14.761 23.153 1.00 33.36 O ATOM 0 H GLU A 188 5.878 -15.464 22.255 1.00 17.69 H new ATOM 0 HA GLU A 188 7.193 -13.452 21.278 1.00 18.83 H new ATOM 0 HB2 GLU A 188 7.902 -16.198 21.436 1.00 21.91 H new ATOM 0 HB3 GLU A 188 8.905 -15.170 20.829 1.00 21.91 H new ATOM 0 HG2 GLU A 188 8.734 -13.987 22.971 1.00 28.12 H new ATOM 0 HG3 GLU A 188 8.069 -15.287 23.517 1.00 28.12 H new ATOM 1325 N ILE A 189 7.504 -13.483 18.872 1.00 15.23 N ATOM 1326 CA ILE A 189 7.446 -13.412 17.424 1.00 14.78 C ATOM 1327 C ILE A 189 7.862 -14.769 16.847 1.00 14.19 C ATOM 1328 O ILE A 189 8.734 -15.449 17.392 1.00 15.29 O ATOM 1329 CB ILE A 189 8.341 -12.260 16.912 1.00 13.09 C ATOM 1330 CG1 ILE A 189 8.029 -11.980 15.444 1.00 13.46 C ATOM 1331 CG2 ILE A 189 9.814 -12.584 17.130 1.00 12.85 C ATOM 1332 CD1 ILE A 189 8.479 -10.609 15.001 1.00 14.37 C ATOM 0 H ILE A 189 7.981 -12.870 19.240 1.00 15.23 H new ATOM 0 HA ILE A 189 6.542 -13.220 17.129 1.00 14.78 H new ATOM 0 HB ILE A 189 8.150 -11.455 17.419 1.00 13.09 H new ATOM 0 HG12 ILE A 189 8.460 -12.651 14.892 1.00 13.46 H new ATOM 0 HG13 ILE A 189 7.074 -12.065 15.299 1.00 13.46 H new ATOM 0 HG21 ILE A 189 10.359 -11.851 16.803 1.00 12.85 H new ATOM 0 HG22 ILE A 189 9.981 -12.713 18.077 1.00 12.85 H new ATOM 0 HG23 ILE A 189 10.042 -13.395 16.649 1.00 12.85 H new ATOM 0 HD11 ILE A 189 8.258 -10.482 14.065 1.00 14.37 H new ATOM 0 HD12 ILE A 189 8.030 -9.933 15.533 1.00 14.37 H new ATOM 0 HD13 ILE A 189 9.438 -10.529 15.120 1.00 14.37 H new ATOM 1333 N LYS A 190 7.222 -15.163 15.751 1.00 15.80 N ATOM 1334 CA LYS A 190 7.470 -16.464 15.135 1.00 16.59 C ATOM 1335 C LYS A 190 8.890 -16.744 14.651 1.00 16.27 C ATOM 1336 O LYS A 190 9.270 -17.905 14.467 1.00 15.57 O ATOM 1337 CB LYS A 190 6.481 -16.675 13.986 1.00 20.93 C ATOM 1338 CG LYS A 190 6.054 -18.116 13.805 1.00 26.37 C ATOM 1339 CD LYS A 190 4.546 -18.204 13.626 1.00 29.76 C ATOM 1340 CE LYS A 190 4.084 -19.632 13.409 1.00 32.12 C ATOM 1341 NZ LYS A 190 2.617 -19.693 13.151 1.00 33.49 N ATOM 0 H LYS A 190 6.633 -14.686 15.344 1.00 15.80 H new ATOM 0 HA LYS A 190 7.342 -17.100 15.856 1.00 16.59 H new ATOM 0 HB2 LYS A 190 5.694 -16.131 14.144 1.00 20.93 H new ATOM 0 HB3 LYS A 190 6.884 -16.360 13.162 1.00 20.93 H new ATOM 0 HG2 LYS A 190 6.500 -18.497 13.032 1.00 26.37 H new ATOM 0 HG3 LYS A 190 6.325 -18.639 14.576 1.00 26.37 H new ATOM 0 HD2 LYS A 190 4.106 -17.838 14.409 1.00 29.76 H new ATOM 0 HD3 LYS A 190 4.278 -17.659 12.869 1.00 29.76 H new ATOM 0 HE2 LYS A 190 4.563 -20.019 12.659 1.00 32.12 H new ATOM 0 HE3 LYS A 190 4.300 -20.166 14.189 1.00 32.12 H new ATOM 0 HZ1 LYS A 190 2.247 -20.302 13.684 1.00 33.49 H new ATOM 0 HZ2 LYS A 190 2.253 -18.897 13.314 1.00 33.49 H new ATOM 0 HZ3 LYS A 190 2.474 -19.916 12.301 1.00 33.49 H new ATOM 1342 N ALA A 191 9.676 -15.694 14.448 1.00 13.46 N ATOM 1343 CA ALA A 191 11.051 -15.863 13.983 1.00 13.93 C ATOM 1344 C ALA A 191 12.046 -15.894 15.143 1.00 14.57 C ATOM 1345 O ALA A 191 13.259 -15.884 14.933 1.00 14.47 O ATOM 1346 CB ALA A 191 11.408 -14.734 13.018 1.00 13.50 C ATOM 0 H ALA A 191 9.436 -14.878 14.572 1.00 13.46 H new ATOM 0 HA ALA A 191 11.109 -16.717 13.527 1.00 13.93 H new ATOM 0 HB1 ALA A 191 12.321 -14.848 12.710 1.00 13.50 H new ATOM 0 HB2 ALA A 191 10.806 -14.755 12.258 1.00 13.50 H new ATOM 0 HB3 ALA A 191 11.324 -13.881 13.472 1.00 13.50 H new ATOM 1347 N ASN A 192 11.529 -15.954 16.364 1.00 15.80 N ATOM 1348 CA ASN A 192 12.362 -15.947 17.564 1.00 16.88 C ATOM 1349 C ASN A 192 13.403 -17.055 17.712 1.00 18.61 C ATOM 1350 O ASN A 192 13.229 -18.168 17.209 1.00 17.60 O ATOM 1351 CB ASN A 192 11.465 -15.949 18.805 1.00 17.38 C ATOM 1352 CG ASN A 192 12.256 -15.929 20.095 1.00 18.42 C ATOM 1353 OD1 ASN A 192 13.040 -15.013 20.341 1.00 17.12 O ATOM 1354 ND2 ASN A 192 12.054 -16.945 20.929 1.00 20.12 N ATOM 0 H ASN A 192 10.685 -16.000 16.522 1.00 15.80 H new ATOM 0 HA ASN A 192 12.887 -15.137 17.469 1.00 16.88 H new ATOM 0 HB2 ASN A 192 10.879 -15.177 18.777 1.00 17.38 H new ATOM 0 HB3 ASN A 192 10.898 -16.736 18.789 1.00 17.38 H new ATOM 0 HD21 ASN A 192 12.480 -16.980 21.675 1.00 20.12 H new ATOM 0 HD22 ASN A 192 11.497 -17.567 20.722 1.00 20.12 H new ATOM 1355 N TYR A 193 14.494 -16.723 18.403 1.00 18.55 N ATOM 1356 CA TYR A 193 15.575 -17.665 18.698 1.00 20.10 C ATOM 1357 C TYR A 193 15.650 -17.788 20.226 1.00 20.88 C ATOM 1358 O TYR A 193 15.366 -16.826 20.937 1.00 21.98 O ATOM 1359 CB TYR A 193 16.945 -17.140 18.243 1.00 17.95 C ATOM 1360 CG TYR A 193 17.191 -16.943 16.764 1.00 18.40 C ATOM 1361 CD1 TYR A 193 16.652 -15.855 16.084 1.00 17.62 C ATOM 1362 CD2 TYR A 193 18.061 -17.784 16.071 1.00 17.27 C ATOM 1363 CE1 TYR A 193 16.987 -15.603 14.749 1.00 17.75 C ATOM 1364 CE2 TYR A 193 18.400 -17.542 14.744 1.00 18.00 C ATOM 1365 CZ TYR A 193 17.862 -16.446 14.092 1.00 17.21 C ATOM 1366 OH TYR A 193 18.224 -16.179 12.794 1.00 13.86 O ATOM 0 H TYR A 193 14.629 -15.934 18.718 1.00 18.55 H new ATOM 0 HA TYR A 193 15.389 -18.499 18.239 1.00 20.10 H new ATOM 0 HB2 TYR A 193 17.095 -16.288 18.682 1.00 17.95 H new ATOM 0 HB3 TYR A 193 17.620 -17.753 18.575 1.00 17.95 H new ATOM 0 HD1 TYR A 193 16.061 -15.287 16.523 1.00 17.62 H new ATOM 0 HD2 TYR A 193 18.422 -18.523 16.505 1.00 17.27 H new ATOM 0 HE1 TYR A 193 16.622 -14.871 14.306 1.00 17.75 H new ATOM 0 HE2 TYR A 193 18.984 -18.112 14.298 1.00 18.00 H new ATOM 0 HH TYR A 193 18.964 -16.540 12.629 1.00 13.86 H new ATOM 1367 N GLY A 194 16.044 -18.959 20.723 1.00 23.95 N ATOM 1368 CA GLY A 194 16.205 -19.156 22.161 1.00 24.65 C ATOM 1369 C GLY A 194 14.978 -19.211 23.056 1.00 25.77 C ATOM 1370 O GLY A 194 13.846 -19.159 22.580 1.00 25.21 O ATOM 0 H GLY A 194 16.223 -19.651 20.245 1.00 23.95 H new ATOM 0 HA2 GLY A 194 16.693 -19.985 22.287 1.00 24.65 H new ATOM 0 HA3 GLY A 194 16.772 -18.441 22.490 1.00 24.65 H new ATOM 1371 N ARG A 195 15.207 -19.315 24.366 1.00 25.74 N ATOM 1372 CA ARG A 195 14.113 -19.391 25.332 1.00 26.85 C ATOM 1373 C ARG A 195 13.450 -18.036 25.549 1.00 28.25 C ATOM 1374 O ARG A 195 14.024 -16.996 25.228 1.00 27.78 O ATOM 1375 CB ARG A 195 14.609 -19.935 26.683 1.00 27.15 C ATOM 1376 CG ARG A 195 15.485 -18.974 27.479 1.00 26.65 C ATOM 1377 CD ARG A 195 15.941 -19.572 28.815 1.00 23.70 C ATOM 1378 NE ARG A 195 14.858 -19.716 29.786 1.00 20.92 N ATOM 1379 CZ ARG A 195 15.035 -20.088 31.052 1.00 18.97 C ATOM 1380 NH1 ARG A 195 16.251 -20.357 31.503 1.00 18.69 N ATOM 1381 NH2 ARG A 195 13.996 -20.188 31.875 1.00 18.61 N ATOM 0 H ARG A 195 15.992 -19.343 24.715 1.00 25.74 H new ATOM 0 HA ARG A 195 13.455 -19.999 24.960 1.00 26.85 H new ATOM 0 HB2 ARG A 195 13.839 -20.173 27.223 1.00 27.15 H new ATOM 0 HB3 ARG A 195 15.108 -20.751 26.525 1.00 27.15 H new ATOM 0 HG2 ARG A 195 16.263 -18.737 26.951 1.00 26.65 H new ATOM 0 HG3 ARG A 195 14.994 -18.154 27.645 1.00 26.65 H new ATOM 0 HD2 ARG A 195 16.339 -20.442 28.653 1.00 23.70 H new ATOM 0 HD3 ARG A 195 16.634 -19.009 29.194 1.00 23.70 H new ATOM 0 HE ARG A 195 14.056 -19.550 29.523 1.00 20.92 H new ATOM 0 HH11 ARG A 195 16.929 -20.292 30.978 1.00 18.69 H new ATOM 0 HH12 ARG A 195 16.363 -20.597 32.321 1.00 18.69 H new ATOM 0 HH21 ARG A 195 13.204 -20.012 31.591 1.00 18.61 H new ATOM 0 HH22 ARG A 195 14.116 -20.429 32.692 1.00 18.61 H new ATOM 1382 N LYS A 196 12.238 -18.055 26.098 1.00 29.56 N ATOM 1383 CA LYS A 196 11.505 -16.824 26.361 1.00 29.88 C ATOM 1384 C LYS A 196 12.067 -16.126 27.593 1.00 30.69 C ATOM 1385 O LYS A 196 12.775 -16.796 28.373 1.00 30.55 O ATOM 1386 CB LYS A 196 10.021 -17.120 26.588 1.00 29.16 C ATOM 1387 CG LYS A 196 9.728 -17.946 27.833 0.50 27.94 C ATOM 1388 CD LYS A 196 8.312 -17.691 28.346 0.50 26.79 C ATOM 1389 CE LYS A 196 7.252 -18.061 27.322 0.50 26.28 C ATOM 1390 NZ LYS A 196 7.238 -19.522 27.041 0.50 25.94 N ATOM 1391 OXT LYS A 196 11.776 -14.925 27.773 1.00 32.06 O ATOM 0 H LYS A 196 11.823 -18.773 26.325 1.00 29.56 H new ATOM 0 HA LYS A 196 11.602 -16.246 25.588 1.00 29.88 H new ATOM 0 HB2 LYS A 196 9.541 -16.280 26.650 1.00 29.16 H new ATOM 0 HB3 LYS A 196 9.674 -17.589 25.813 1.00 29.16 H new ATOM 0 HG2 LYS A 196 9.837 -18.889 27.632 0.50 27.94 H new ATOM 0 HG3 LYS A 196 10.370 -17.728 28.527 0.50 27.94 H new ATOM 0 HD2 LYS A 196 8.167 -18.202 29.157 0.50 26.79 H new ATOM 0 HD3 LYS A 196 8.219 -16.754 28.581 0.50 26.79 H new ATOM 0 HE2 LYS A 196 6.380 -17.786 27.646 0.50 26.28 H new ATOM 0 HE3 LYS A 196 7.415 -17.575 26.498 0.50 26.28 H new ATOM 0 HZ1 LYS A 196 6.544 -19.717 26.519 0.50 25.94 H new ATOM 0 HZ2 LYS A 196 7.993 -19.753 26.630 0.50 25.94 H new ATOM 0 HZ3 LYS A 196 7.168 -19.971 27.806 0.50 25.94 H new TER 1392 LYS A 196 HETATM 1393 CA CA A 401 12.953 -9.512 18.669 1.00 13.72 CA HETATM 1394 CA CA A 402 15.026 -14.590 21.603 1.00 16.91 CA HETATM 1395 CA CA A 403 22.305 -7.758 6.042 1.00 18.29 CA HETATM 1396 CA CA A 404 8.985 2.450 7.576 1.00 41.34 CA HETATM 1397 O HOH B 7 13.740 -1.884 20.696 1.00 13.52 O HETATM 1398 O HOH B 30 9.699 7.540 34.507 1.00 19.13 O HETATM 1399 O HOH B 42 13.097 -6.696 28.775 1.00 30.55 O HETATM 1400 O HOH B 43 10.905 0.972 23.746 1.00 21.36 O HETATM 1401 O HOH B 46 16.354 2.033 31.592 1.00 23.52 O HETATM 1402 O HOH B 52 13.194 -3.629 30.467 1.00 26.46 O HETATM 1403 O HOH B 69 6.043 0.617 19.480 1.00 27.15 O HETATM 1404 O HOH B 90 10.699 -6.669 26.040 1.00 30.94 O HETATM 1405 O HOH B 95 6.728 -0.526 21.770 1.00 20.35 O HETATM 1406 O HOH B 102 14.564 1.292 40.639 1.00 31.33 O HETATM 1407 O HOH B 113 13.309 -0.080 34.634 1.00 27.03 O HETATM 1408 O HOH B 114 10.035 -5.787 28.520 1.00 36.85 O HETATM 1409 O HOH B 123 12.630 -9.364 25.399 1.00 32.30 O HETATM 1410 O HOH B 125 8.282 0.944 23.303 1.00 25.00 O HETATM 1411 O HOH B 131 9.205 10.145 34.227 1.00 34.59 O HETATM 1412 O HOH B 139 18.799 4.735 31.344 1.00 33.93 O HETATM 1413 O HOH B 146 10.969 -2.945 31.645 1.00 43.16 O HETATM 1414 O HOH B 151 3.216 0.125 18.984 1.00 35.33 O HETATM 1415 O HOH B 159 9.539 -9.790 24.813 1.00 42.19 O HETATM 1416 O HOH B 162 14.297 -0.323 32.222 1.00 39.48 O HETATM 1417 O HOH B 180 6.058 -6.433 25.261 1.00 29.85 O HETATM 1418 O HOH B 186 14.255 2.257 34.224 1.00 32.08 O HETATM 1419 O HOH B 189 4.761 2.480 32.493 1.00 42.11 O HETATM 1420 O HOH B 192 14.098 0.232 38.002 1.00 40.96 O HETATM 1421 O HOH B 231 16.625 2.521 35.373 1.00 35.45 O HETATM 1422 O HOH B 236 14.425 -2.355 38.745 1.00 43.67 O HETATM 1423 O HOH B 238 5.051 0.378 25.677 1.00 41.84 O HETATM 1424 O HOH B 252 12.326 -10.750 23.315 1.00 48.58 O HETATM 1425 O HOH B 257 15.270 -1.738 34.265 1.00 44.14 O HETATM 1426 O HOH C 17 23.681 0.089 26.496 1.00 16.78 O HETATM 1427 O HOH C 24 27.950 -0.580 22.093 1.00 21.16 O HETATM 1428 O HOH C 33 19.127 4.943 27.565 1.00 19.51 O HETATM 1429 O HOH C 47 30.011 -2.892 24.848 1.00 23.44 O HETATM 1430 O HOH C 63 18.730 1.738 30.129 1.00 24.30 O HETATM 1431 O HOH C 66 16.561 6.948 16.458 1.00 22.50 O HETATM 1432 O HOH C 77 18.624 6.394 23.204 1.00 30.54 O HETATM 1433 O HOH C 80 17.449 7.231 27.467 1.00 24.45 O HETATM 1434 O HOH C 83 25.350 -3.104 34.769 1.00 64.61 O HETATM 1435 O HOH C 87 17.531 -5.095 32.363 1.00 27.45 O HETATM 1436 O HOH C 108 16.288 8.198 25.037 1.00 35.66 O HETATM 1437 O HOH C 109 7.925 7.377 31.006 1.00 29.87 O HETATM 1438 O HOH C 111 10.334 3.828 23.382 1.00 29.02 O HETATM 1439 O HOH C 120 20.199 5.051 25.019 1.00 22.72 O HETATM 1440 O HOH C 128 23.763 2.257 25.083 1.00 27.75 O HETATM 1441 O HOH C 129 30.543 -5.623 26.238 1.00 40.47 O HETATM 1442 O HOH C 130 28.666 -8.121 31.356 1.00 53.01 O HETATM 1443 O HOH C 134 22.912 -2.450 34.780 1.00 31.22 O HETATM 1444 O HOH C 136 27.665 -0.323 28.275 1.00 32.65 O HETATM 1445 O HOH C 152 7.709 3.669 22.860 1.00 40.12 O HETATM 1446 O HOH C 155 23.451 0.063 29.281 1.00 34.88 O HETATM 1447 O HOH C 156 15.725 -7.043 32.521 1.00 44.86 O HETATM 1448 O HOH C 163 21.267 -7.169 36.807 1.00 42.66 O HETATM 1449 O HOH C 164 21.336 1.911 30.303 1.00 31.05 O HETATM 1450 O HOH C 165 11.115 10.750 18.579 1.00 50.05 O HETATM 1451 O HOH C 178 8.265 7.347 28.274 1.00 46.15 O HETATM 1452 O HOH C 181 21.671 4.583 29.208 1.00 34.29 O HETATM 1453 O HOH C 182 16.396 9.512 22.461 1.00 42.66 O HETATM 1454 O HOH C 184 26.528 -2.271 36.854 1.00 48.28 O HETATM 1455 O HOH C 195 21.809 3.218 23.672 1.00 16.19 O HETATM 1456 O HOH C 215 26.180 1.538 24.682 1.00 33.77 O HETATM 1457 O HOH C 221 9.167 11.801 20.351 1.00 48.49 O HETATM 1458 O HOH C 228 18.959 -8.126 34.640 1.00 39.72 O HETATM 1459 O HOH C 230 13.762 9.754 22.578 1.00 47.45 O HETATM 1460 O HOH C 235 22.369 6.915 25.759 1.00 34.43 O HETATM 1461 O HOH C 239 15.239 9.149 19.151 1.00 45.10 O HETATM 1462 O HOH C 260 23.953 4.196 27.453 1.00 45.28 O HETATM 1463 O HOH A 405 15.294 -4.156 19.755 1.00 12.60 O HETATM 1464 O HOH A 406 11.778 -8.984 16.130 1.00 12.26 O HETATM 1465 O HOH A 407 13.351 -6.785 13.624 1.00 10.96 O HETATM 1466 O HOH A 408 13.416 -15.482 23.137 1.00 20.44 O HETATM 1467 O HOH A 409 15.293 -14.010 19.191 1.00 15.81 O HETATM 1468 O HOH A 410 9.322 -3.892 0.213 1.00 13.24 O HETATM 1469 O HOH A 411 5.336 -5.437 1.174 1.00 13.33 O HETATM 1470 O HOH A 412 9.228 2.414 16.709 1.00 17.13 O HETATM 1471 O HOH A 413 17.487 -5.914 -3.143 1.00 20.79 O HETATM 1472 O HOH A 414 22.953 -5.049 4.412 1.00 18.44 O HETATM 1473 O HOH A 415 8.604 -11.164 20.310 1.00 15.82 O HETATM 1474 O HOH A 416 9.326 1.492 10.062 1.00 16.58 O HETATM 1475 O HOH A 417 7.043 1.345 5.773 1.00 21.08 O HETATM 1476 O HOH A 418 5.576 -2.057 -1.232 1.00 17.91 O HETATM 1477 O HOH A 419 30.572 -0.136 21.660 1.00 19.07 O HETATM 1478 O HOH A 420 17.316 6.939 13.737 1.00 21.54 O HETATM 1479 O HOH A 421 5.256 -13.671 14.338 1.00 12.65 O HETATM 1480 O HOH A 422 19.615 -6.030 5.710 1.00 15.66 O HETATM 1481 O HOH A 423 6.698 1.486 10.833 1.00 19.87 O HETATM 1482 O HOH A 424 -3.614 -3.089 -0.442 1.00 14.86 O HETATM 1483 O HOH A 425 24.291 -5.835 2.281 1.00 24.11 O HETATM 1484 O HOH A 426 32.430 -1.121 8.060 1.00 19.35 O HETATM 1485 O HOH A 427 32.788 1.086 10.172 1.00 20.11 O HETATM 1486 O HOH A 428 31.316 -7.138 12.869 1.00 19.07 O HETATM 1487 O HOH A 429 14.744 -5.994 -3.539 1.00 21.94 O HETATM 1488 O HOH A 430 5.106 1.268 8.256 1.00 21.94 O HETATM 1489 O HOH A 431 21.470 5.880 19.801 1.00 17.96 O HETATM 1490 O HOH A 432 20.379 -4.702 3.376 1.00 19.09 O HETATM 1491 O HOH A 433 11.072 3.594 6.090 1.00 22.57 O HETATM 1492 O HOH A 434 2.132 -1.438 14.448 1.00 21.93 O HETATM 1493 O HOH A 435 -1.086 -5.825 13.619 1.00 22.85 O HETATM 1494 O HOH A 436 11.201 8.579 14.091 1.00 29.07 O HETATM 1495 O HOH A 437 29.064 -13.619 8.158 1.00 22.10 O HETATM 1496 O HOH A 438 23.178 -1.095 -0.505 1.00 21.81 O HETATM 1497 O HOH A 439 23.124 -9.960 4.001 1.00 20.66 O HETATM 1498 O HOH A 440 11.328 -23.668 7.482 1.00 24.60 O HETATM 1499 O HOH A 441 13.393 0.963 22.286 1.00 17.69 O HETATM 1500 O HOH A 442 18.824 -16.082 3.253 1.00 18.90 O HETATM 1501 O HOH A 443 9.844 4.150 1.167 1.00 29.33 O HETATM 1502 O HOH A 444 12.628 -17.718 0.283 1.00 27.86 O HETATM 1503 O HOH A 445 6.636 -5.234 -3.290 1.00 23.33 O HETATM 1504 O HOH A 446 2.333 1.802 3.891 1.00 32.69 O HETATM 1505 O HOH A 447 32.631 -13.158 17.866 1.00 30.87 O HETATM 1506 O HOH A 448 32.827 4.706 16.628 1.00 26.27 O HETATM 1507 O HOH A 449 -1.385 -8.541 4.611 1.00 25.42 O HETATM 1508 O HOH A 450 9.514 6.906 6.828 1.00 31.36 O HETATM 1509 O HOH A 451 4.866 -5.084 22.429 1.00 27.17 O HETATM 1510 O HOH A 452 7.310 1.312 -3.951 1.00 35.95 O HETATM 1511 O HOH A 453 10.238 -21.205 12.332 1.00 31.99 O HETATM 1512 O HOH A 454 1.864 -6.222 -5.573 1.00 24.15 O HETATM 1513 O HOH A 455 15.371 -13.245 -2.250 1.00 33.78 O HETATM 1514 O HOH A 456 -0.954 -9.187 2.142 1.00 23.34 O HETATM 1515 O HOH A 457 27.687 -9.875 25.812 1.00 21.86 O HETATM 1516 O HOH A 458 -5.331 -11.426 9.363 1.00 31.32 O HETATM 1517 O HOH A 459 4.696 -21.386 4.398 1.00 38.54 O HETATM 1518 O HOH A 460 29.775 4.191 16.639 1.00 24.98 O HETATM 1519 O HOH A 461 29.580 -14.231 22.173 1.00 34.89 O HETATM 1520 O HOH A 462 28.583 -10.262 3.875 1.00 26.26 O HETATM 1521 O HOH A 463 8.057 -1.499 -4.356 1.00 35.78 O HETATM 1522 O HOH A 464 5.524 -17.129 23.367 1.00 29.19 O HETATM 1523 O HOH A 465 11.766 -19.248 14.710 1.00 28.77 O HETATM 1524 O HOH A 466 22.552 6.181 3.619 1.00 34.74 O HETATM 1525 O HOH A 467 3.281 -25.082 9.780 1.00 44.54 O HETATM 1526 O HOH A 468 20.824 -20.310 16.164 1.00 45.53 O HETATM 1527 O HOH A 469 12.855 9.296 7.180 1.00 33.66 O HETATM 1528 O HOH A 470 16.720 10.446 9.091 1.00 30.96 O HETATM 1529 O HOH A 471 17.929 8.749 20.387 1.00 28.27 O HETATM 1530 O HOH A 472 14.241 -12.520 22.395 1.00 30.33 O HETATM 1531 O HOH A 473 22.485 -18.203 10.229 1.00 39.49 O HETATM 1532 O HOH A 474 25.723 5.217 7.546 1.00 44.50 O HETATM 1533 O HOH A 475 24.220 4.832 11.109 1.00 29.47 O HETATM 1534 O HOH A 476 16.151 -15.403 23.497 1.00 27.97 O HETATM 1535 O HOH A 477 24.875 4.272 4.550 1.00 24.48 O HETATM 1536 O HOH A 478 30.961 0.778 6.359 1.00 28.67 O HETATM 1537 O HOH A 479 3.626 -16.217 19.403 1.00 30.58 O HETATM 1538 O HOH A 480 -5.355 -13.333 4.053 1.00 48.53 O HETATM 1539 O HOH A 481 41.045 0.023 17.683 1.00 27.99 O HETATM 1540 O HOH A 482 20.298 -7.664 2.703 1.00 28.70 O HETATM 1541 O HOH A 483 10.245 -6.349 -8.147 1.00 58.69 O HETATM 1542 O HOH A 484 23.497 -4.655 -0.061 1.00 34.29 O HETATM 1543 O HOH A 485 19.078 9.486 -1.115 1.00 35.62 O HETATM 1544 O HOH A 486 13.589 11.308 16.592 1.00 44.11 O HETATM 1545 O HOH A 487 14.058 6.465 -1.140 1.00 41.93 O HETATM 1546 O HOH A 488 2.618 -17.634 17.372 1.00 43.95 O HETATM 1547 O HOH A 489 5.717 -14.290 4.529 1.00 38.57 O HETATM 1548 O HOH A 490 30.148 4.569 6.958 1.00 25.63 O HETATM 1549 O HOH A 491 3.159 -2.354 -4.140 1.00 37.39 O HETATM 1550 O HOH A 492 15.067 -18.643 0.776 1.00 35.48 O HETATM 1551 O HOH A 493 13.056 -20.422 20.058 1.00 43.12 O HETATM 1552 O HOH A 494 5.107 -0.611 -3.528 1.00 55.49 O HETATM 1553 O HOH A 495 30.156 -16.633 10.508 1.00 39.49 O HETATM 1554 O HOH A 496 17.539 -3.547 -5.167 1.00 42.93 O HETATM 1555 O HOH A 497 29.573 -21.537 21.389 1.00 47.53 O HETATM 1556 O HOH A 498 -3.872 -11.936 7.172 1.00 34.09 O HETATM 1557 O HOH A 499 8.725 4.151 14.577 1.00 22.19 O HETATM 1558 O HOH A 500 7.884 -3.173 -1.947 1.00 22.83 O HETATM 1559 O HOH A 501 7.200 0.527 17.067 1.00 23.72 O HETATM 1560 O HOH A 502 7.583 4.767 7.429 1.00 27.38 O HETATM 1561 O HOH A 503 18.287 9.441 13.567 1.00 31.88 O HETATM 1562 O HOH A 504 6.552 3.187 12.858 1.00 27.09 O HETATM 1563 O HOH A 505 -1.920 -3.819 11.990 1.00 27.05 O HETATM 1564 O HOH A 506 -4.169 -11.154 4.837 1.00 39.40 O HETATM 1565 O HOH A 507 19.313 -18.585 2.465 1.00 25.45 O HETATM 1566 O HOH A 508 22.477 -17.827 21.825 1.00 38.94 O HETATM 1567 O HOH A 509 11.479 9.696 10.297 1.00 34.90 O HETATM 1568 O HOH A 510 10.732 -12.180 21.761 1.00 25.83 O HETATM 1569 O HOH A 511 34.693 -0.118 11.631 1.00 36.69 O HETATM 1570 O HOH A 512 -5.914 -12.925 12.924 1.00 33.39 O HETATM 1571 O HOH A 513 29.005 5.415 14.024 1.00 31.57 O HETATM 1572 O HOH A 514 12.769 -11.620 19.887 1.00 12.15 O HETATM 1573 O HOH A 515 1.331 -18.823 4.746 1.00 37.27 O HETATM 1574 O HOH A 516 15.458 10.008 5.520 1.00 44.06 O HETATM 1575 O HOH A 517 22.999 8.354 19.769 1.00 36.57 O HETATM 1576 O HOH A 518 0.553 -4.263 15.630 1.00 33.88 O HETATM 1577 O HOH A 519 10.128 -19.207 20.393 1.00 41.76 O HETATM 1578 O HOH A 520 4.565 -4.872 -5.132 1.00 29.41 O HETATM 1579 O HOH A 521 15.567 -20.593 15.474 1.00 47.73 O HETATM 1580 O HOH A 522 11.934 -19.435 30.018 1.00 38.11 O HETATM 1581 O HOH A 523 6.626 3.284 20.220 1.00 42.46 O HETATM 1582 O HOH A 524 22.686 7.118 1.161 1.00 32.82 O HETATM 1583 O HOH A 525 -4.667 -13.856 -0.001 1.00 41.90 O HETATM 1584 O HOH A 526 18.607 -21.212 29.927 1.00 34.16 O HETATM 1585 O HOH A 527 31.682 -13.068 21.147 1.00 46.82 O HETATM 1586 O HOH A 528 6.988 3.076 3.543 1.00 37.35 O HETATM 1587 O HOH A 529 26.485 6.063 11.606 1.00 48.63 O HETATM 1588 O HOH A 530 9.406 4.676 3.945 1.00 28.33 O HETATM 1589 O HOH A 531 15.382 12.789 8.620 1.00 49.08 O HETATM 1590 O HOH A 532 34.174 3.105 9.017 1.00 34.58 O HETATM 1591 O HOH A 533 34.626 -7.194 10.999 1.00 39.01 O HETATM 1592 O HOH A 534 11.456 -21.623 2.384 1.00 40.22 O HETATM 1593 O HOH A 535 1.383 -17.447 21.956 1.00 53.06 O HETATM 1594 O HOH A 536 32.660 3.093 6.435 1.00 43.43 O HETATM 1595 O HOH A 537 31.725 -2.693 22.382 1.00 33.18 O HETATM 1596 O HOH A 538 0.567 -4.795 23.224 1.00 50.49 O HETATM 1597 O HOH A 539 7.844 -17.993 18.494 1.00 44.44 O HETATM 1598 O HOH A 540 3.870 -18.637 21.207 1.00 47.05 O HETATM 1599 O HOH A 541 34.612 -1.106 6.464 1.00 39.03 O HETATM 1600 O HOH A 542 34.719 -9.362 14.070 1.00 37.35 O HETATM 1601 O HOH A 543 3.930 0.175 13.047 1.00 32.68 O HETATM 1602 O HOH A 544 37.812 0.171 19.782 1.00 37.47 O HETATM 1603 O HOH A 545 25.872 1.335 21.961 1.00 17.34 O HETATM 1604 O HOH A 546 22.938 4.808 21.809 1.00 22.33 O HETATM 1605 O HOH A 547 40.561 -1.551 15.397 1.00 25.37 O HETATM 1606 O HOH A 548 0.910 -3.698 -7.060 1.00 22.70 O HETATM 1607 O HOH A 549 16.551 -20.883 18.600 1.00 31.84 O HETATM 1608 O HOH A 550 5.258 1.265 15.249 1.00 25.69 O HETATM 1609 O HOH A 551 39.101 -4.037 16.755 1.00 40.17 O HETATM 1610 O HOH A 552 -0.871 -16.116 4.015 1.00 45.46 O HETATM 1611 O HOH A 553 4.248 -12.741 26.105 1.00 36.74 O HETATM 1612 O HOH A 554 38.153 2.962 18.877 1.00 40.04 O HETATM 1613 O HOH A 555 9.115 6.687 15.170 1.00 34.43 O HETATM 1614 O HOH A 556 13.779 -17.302 -1.999 1.00 33.74 O HETATM 1615 O HOH A 557 35.133 -12.158 17.863 1.00 42.50 O HETATM 1616 O HOH A 558 7.762 -16.021 0.261 1.00 37.79 O HETATM 1617 O HOH A 559 -5.351 -11.796 16.276 1.00 34.65 O HETATM 1618 O HOH A 560 -1.928 -3.063 9.438 1.00 30.89 O HETATM 1619 O HOH A 561 27.045 -11.842 27.633 1.00 32.73 O HETATM 1620 O HOH A 562 18.444 -21.150 7.126 1.00 46.64 O HETATM 1621 O HOH A 563 24.556 8.534 0.047 1.00 41.93 O HETATM 1622 O HOH A 564 31.708 -13.407 8.061 1.00 40.97 O HETATM 1623 O HOH A 565 32.659 -4.380 20.421 1.00 39.37 O HETATM 1624 O HOH A 566 12.908 -25.173 9.022 1.00 46.89 O HETATM 1625 O HOH A 567 35.724 -6.501 8.290 1.00 37.28 O HETATM 1626 O HOH A 568 17.902 9.175 6.206 1.00 46.19 O HETATM 1627 O HOH A 569 10.895 -19.274 23.397 1.00 35.47 O HETATM 1628 O HOH A 570 33.637 5.561 9.918 1.00 36.53 O HETATM 1629 O HOH A 571 -6.567 -14.132 -1.590 1.00 42.43 O HETATM 1630 O HOH A 572 34.379 -1.478 22.960 1.00 38.15 O HETATM 1631 O HOH A 573 12.983 -23.322 4.759 1.00 36.06 O HETATM 1632 O HOH A 574 19.620 -20.561 4.482 1.00 38.25 O HETATM 1633 O HOH A 575 21.788 6.878 6.575 1.00 35.97 O HETATM 1634 O HOH A 576 10.824 -11.716 -8.735 1.00 32.06 O HETATM 1635 O HOH A 577 18.840 -1.162 -7.262 1.00 37.60 O HETATM 1636 O HOH A 578 10.987 -17.372 -3.493 1.00 38.19 O HETATM 1637 O HOH A 579 6.917 1.767 -6.700 1.00 38.95 O HETATM 1638 O HOH A 580 5.661 -16.444 2.873 1.00 39.49 O HETATM 1639 O HOH A 581 5.967 5.544 9.655 1.00 48.00 O HETATM 1640 O HOH A 582 35.880 0.634 22.183 1.00 42.35 O HETATM 1641 O HOH A 583 29.938 -11.560 23.271 1.00 43.79 O HETATM 1642 O HOH A 584 32.081 -1.255 0.119 1.00 38.25 O HETATM 1643 O HOH A 585 14.363 -12.308 25.073 1.00 47.68 O HETATM 1644 O HOH A 586 20.920 13.010 18.900 1.00 49.16 O HETATM 1645 O HOH A 587 22.095 9.594 1.667 1.00 47.82 O HETATM 1646 O HOH A 588 15.476 -1.498 -7.926 1.00 30.88 O HETATM 1647 O HOH A 589 24.251 6.798 23.340 1.00 33.29 O HETATM 1648 O HOH A 590 13.881 -5.364 -6.061 1.00 46.22 O HETATM 1649 O HOH A 591 33.690 -12.177 9.488 1.00 44.23 O HETATM 1650 O HOH A 592 33.290 7.135 11.832 1.00 45.29 O HETATM 1651 O HOH A 593 16.772 9.796 17.031 1.00 48.36 O HETATM 1652 O HOH A 594 40.835 2.722 18.751 1.00 48.07 O HETATM 1653 O HOH A 595 25.346 -8.535 2.164 1.00 43.51 O HETATM 1654 O HOH A 596 8.174 4.327 18.265 1.00 49.01 O HETATM 1655 O HOH A 597 21.131 10.162 13.712 1.00 42.75 O HETATM 1656 O HOH A 598 5.322 5.118 3.506 1.00 40.74 O HETATM 1657 O HOH A 599 16.805 -13.288 25.058 1.00 46.29 O HETATM 1658 O HOH A 600 -0.098 -20.989 4.183 1.00 39.45 O HETATM 1659 O HOH A 601 24.266 -17.079 15.367 1.00 48.60 O HETATM 1660 O HOH A 602 -6.765 -15.635 4.116 1.00 40.16 O HETATM 1661 O HOH A 603 -1.086 -0.383 8.838 1.00 46.25 O HETATM 1662 O HOH A 604 32.890 5.804 19.338 1.00 44.99 O HETATM 1663 O HOH A 605 33.670 -6.231 6.194 1.00 37.30 O HETATM 1664 O HOH A 606 34.267 3.122 22.339 1.00 47.98 O HETATM 1665 O HOH A 607 5.771 -19.051 2.116 1.00 46.62 O HETATM 1666 O HOH A 608 7.865 4.449 -5.521 1.00 44.63 O HETATM 1667 O HOH A 609 -1.173 -22.583 6.091 1.00 51.98 O CONECT 111 1393 CONECT 372 1393 CONECT 458 1395 CONECT 655 1393 CONECT 850 1393 CONECT 851 1393 CONECT 1353 1394 CONECT 1358 1394 CONECT 1393 111 372 655 850 CONECT 1393 851 1464 1572 CONECT 1394 1353 1358 1466 1467 CONECT 1394 1530 1534 CONECT 1395 458 1472 1480 1497 CONECT 1396 1474 1475 1491 1560 CONECT 1464 1393 CONECT 1466 1394 CONECT 1467 1394 CONECT 1472 1395 CONECT 1474 1396 CONECT 1475 1396 CONECT 1480 1395 CONECT 1491 1396 CONECT 1497 1395 CONECT 1530 1394 CONECT 1534 1394 CONECT 1560 1396 CONECT 1572 1393 END