USER MOD reduce.3.24.130724 H: found=0, std=0, add=1222, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE/RNA/DNA 03-MAR-06 2G8W TITLE B. HALODURANS RNASE H CATALYTIC DOMAIN E188A MUTANT IN TITLE 2 COMPLEX WITH CA2+ AND RNA/DNA HYBRID COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-R(P*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 2G8W 1 VERSN REVDAT 2 16-MAY-06 2G8W 1 JRNL REVDAT 1 25-APR-06 2G8W 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. 2.05 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) : 2.05 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL 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 : 10677 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) : 0.215 REMARK 3 FREE R VALUE : 0.242 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 1100 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 : 1090 REMARK 3 NUCLEIC ACID ATOMS : 249 REMARK 3 HETEROGEN ATOMS : 2 REMARK 3 SOLVENT ATOMS : 115 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) : 1.11 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 2G8W COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-MAR-06. REMARK 100 THE RCSB ID CODE IS RCSB036835. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 07-MAR-05 REMARK 200 TEMPERATURE (KELVIN) : 95 REMARK 200 PH : 6.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU 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 : 10677 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.050 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.300 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 90.5 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) : 2.05 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.15 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 (%): 47.12 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.33 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 12% ISOPROPANOL, 0.1M MES 6.0, 0.3M REMARK 280 CAAC2, 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 40.83550 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 18.54550 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 40.83550 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 18.54550 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 GLY A 194 REMARK 465 ARG A 195 REMARK 465 LYS A 196 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 423 O HOH A 423 2555 1.60 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 U B 1 P U B 1 OP3 -0.091 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLU A 61 91.37 37.29 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 473 DISTANCE = 5.38 ANGSTROMS 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 ASP A 71 OD1 REMARK 620 2 HOH A 403 O 78.3 REMARK 620 3 ASP A 132 OD2 115.2 73.5 REMARK 620 4 HOH A 410 O 81.8 103.9 51.8 REMARK 620 5 GLU A 109 OE1 75.2 59.7 129.2 153.9 REMARK 620 6 GLU A 109 OE2 102.0 100.7 139.7 155.3 45.6 REMARK 620 7 ASP A 132 OD1 144.8 66.6 52.9 103.2 89.1 87.7 REMARK 620 8 U B 1 O3' 136.3 145.4 87.1 84.7 120.6 75.7 78.8 REMARK 620 9 C B 2 OP1 81.0 147.5 93.4 48.2 136.8 107.9 128.5 59.6 REMARK 620 N 1 2 3 4 5 6 7 8 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 ASP A 71 OD2 REMARK 620 2 HOH A 404 O 147.8 REMARK 620 3 HOH A 407 O 109.2 94.6 REMARK 620 4 HOH A 410 O 79.0 133.1 53.9 REMARK 620 5 HOH A 444 O 73.3 76.2 155.9 145.9 REMARK 620 6 ASP A 192 OD2 88.6 77.7 72.8 115.8 83.4 REMARK 620 7 C B 2 OP1 90.9 104.9 103.2 59.7 100.7 175.5 REMARK 620 N 1 2 3 4 5 6 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 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 2G8W A 59 196 UNP Q9KEI9 RNH1_BACHD 59 196 DBREF 2G8W B 1 6 PDB 2G8W 2G8W 1 6 DBREF 2G8W C 1 6 PDB 2G8W 2G8W 1 6 SEQADV 2G8W GLY A 55 UNP Q9KEI9 CLONING ARTIFACT SEQADV 2G8W SER A 56 UNP Q9KEI9 CLONING ARTIFACT SEQADV 2G8W HIS A 57 UNP Q9KEI9 CLONING ARTIFACT SEQADV 2G8W MET A 58 UNP Q9KEI9 CLONING ARTIFACT SEQADV 2G8W ALA A 188 UNP Q9KEI9 GLU 188 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 ALA ILE LYS ALA ASP TYR GLY ARG LYS HET CA A 401 1 HET CA A 402 1 HETNAM CA CALCIUM ION FORMUL 4 CA 2(CA 2+) FORMUL 6 HOH *115(H2 O) HELIX 1 1 THR A 104 GLU A 122 1 19 HELIX 2 2 SER A 133 LYS A 143 1 11 HELIX 3 3 ASN A 152 GLU A 154 5 3 HELIX 4 4 THR A 155 ASN A 170 1 16 HELIX 5 5 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 GLY A 73 O GLU A 82 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 OD1 ASP A 71 1555 1555 2.25 LINK CA CA A 401 O HOH A 403 1555 1555 2.96 LINK CA CA A 401 OD2 ASP A 132 1555 1555 2.49 LINK CA CA A 401 O HOH A 410 1555 1555 2.99 LINK CA CA A 401 OE1 GLU A 109 1555 1555 3.07 LINK CA CA A 401 OE2 GLU A 109 1555 1555 2.34 LINK CA CA A 401 OD1 ASP A 132 1555 1555 2.42 LINK CA CA A 402 OD2 ASP A 71 1555 1555 2.39 LINK CA CA A 402 O HOH A 404 1555 1555 2.29 LINK CA CA A 402 O HOH A 407 1555 1555 2.86 LINK CA CA A 402 O HOH A 410 1555 1555 2.30 LINK CA CA A 402 O HOH A 444 1555 1555 2.13 LINK CA CA A 402 OD2 ASP A 192 1555 1555 2.42 LINK CA CA A 401 O3' U B 1 1555 4546 2.67 LINK CA CA A 401 OP1 C B 2 1555 4546 2.28 LINK CA CA A 402 OP1 C B 2 1555 4546 2.22 CISPEP 1 ASN A 77 PRO A 78 0 -0.05 SITE *** AC1 7 ASP A 71 GLU A 109 ASP A 132 HOH A 403 SITE *** AC1 7 HOH A 410 U B 1 C B 2 SITE *** AC2 7 ASP A 71 ASP A 192 HOH A 404 HOH A 407 SITE *** AC2 7 HOH A 410 HOH A 444 C B 2 CRYST1 81.671 37.091 61.980 90.00 96.74 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 0.012244 0.000000 0.001447 0.00000 SCALE2 0.000000 0.026961 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016247 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 Set 1.1: A 182 GLN : amide:sc= 0.102 K(o=0.66,f=-7.5!) USER MOD Set 1.2: A 185 LYS NZ :NH3+ 172:sc= 0.554 (180deg=0) USER MOD Set 2.1: A 180 LYS NZ :NH3+ 152:sc= 2.34 (180deg=0.307) USER MOD Set 2.2: B 6 A O3' : rot -60:sc= 0.512 USER MOD Set 3.1: A 171 THR OG1 : rot 36:sc= 0.955 USER MOD Set 3.2: A 172 HIS : no HD1:sc= -0.553 K(o=0.4,f=-6.8!) USER MOD Set 4.1: A 134 GLN :FLIP amide:sc= 0.579 F(o=-0.52,f=0.5) USER MOD Set 4.2: B 5 C O2' : rot -6:sc= -0.083 USER MOD Set 5.1: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 115 HIS : no HD1:sc= 0.543 X(o=0.54,f=0.28) USER MOD Set 6.1: A 67 SER OG : rot -107:sc= 1.82 USER MOD Set 6.2: A 69 SER OG : rot 81:sc= 2.09 USER MOD Set 6.3: A 88 THR OG1 : rot 153:sc= 2 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 120:sc= 0.196 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= 0.433 K(o=0.43,f=-2.1!) USER MOD Single : A 84 LYS NZ :NH3+ -131:sc= 0.0319 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -133:sc= 1.42 USER MOD Single : A 104 THR OG1 : rot 177:sc= 0.287 USER MOD Single : A 105 ASN : amide:sc= -0.474 K(o=-0.47,f=-7.5!) USER MOD Single : A 106 ASN : amide:sc= 1.22 K(o=1.2,f=-1.8) USER MOD Single : A 107 MET CE :methyl 154:sc= -4.45! (180deg=-6.71!) USER MOD Single : A 119 TYR OH : rot -1:sc= 1.3 USER MOD Single : A 121 LYS NZ :NH3+ -179:sc= 1.28 (180deg=1.21) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 125 SER OG : rot 180:sc= 0.00263 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 TYR OH : rot 180:sc= 0.404 USER MOD Single : A 131 SER OG : rot 115:sc= 1.32 USER MOD Single : A 133 SER OG : rot 66:sc= 1.95 USER MOD Single : A 135 THR OG1 : rot 6:sc= 1.03 USER MOD Single : A 138 LYS NZ :NH3+ -175:sc= 2.52 (180deg=2.39) USER MOD Single : A 141 LYS NZ :NH3+ 174:sc=-0.00685 (180deg=-0.0495) USER MOD Single : A 143 LYS NZ :NH3+ -175:sc= 0.445 (180deg=0.433) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0205) USER MOD Single : A 147 SER OG : rot 93:sc= 1.35 USER MOD Single : A 148 THR OG1 : rot -58:sc= 1.98 USER MOD Single : A 152 ASN : amide:sc= -2.59 K(o=-2.6,f=-11!) USER MOD Single : A 155 THR OG1 : rot -170:sc= 1.61 USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 ASN :FLIP amide:sc= 0.177 F(o=-1.4!,f=0.18) USER MOD Single : A 173 THR OG1 : rot 89:sc= 0.0379 USER MOD Single : A 174 TYR OH : rot 180:sc= 0 USER MOD Single : A 176 THR OG1 : rot -79:sc= 2.37 USER MOD Single : A 183 THR OG1 : rot -21:sc= 0.796 USER MOD Single : A 190 LYS NZ :NH3+ 156:sc= 0.466 (180deg=0.318) USER MOD Single : A 193 TYR OH : rot 180:sc= -0.431 USER MOD Single : B 1 U O2' : rot -10:sc= -0.148 USER MOD Single : B 2 C O2' : rot -31:sc= 0.0859 USER MOD Single : B 3 G O2' : rot 167:sc= 1.09 USER MOD Single : B 4 A O2' : rot -9:sc= -0.423 USER MOD Single : B 6 A O2' : rot -58:sc= 1.83 USER MOD Single : C 1 DA O5' : rot 180:sc= 0 USER MOD Single : C 2 DT C7 :methyl 150:sc= -0.074 (180deg=-0.074) USER MOD Single : C 4 DT C7 :methyl -30:sc= -1.14 (180deg=-3.43!) USER MOD Single : C 6 DG O3' : rot 38:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 1 OP3 U B 1 24.949 11.434 37.725 1.00 35.52 O ATOM 2 P U B 1 23.836 10.445 37.442 1.00 36.91 P ATOM 3 OP1 U B 1 24.000 9.130 38.192 1.00 38.53 O ATOM 4 OP2 U B 1 23.568 10.241 35.964 1.00 36.67 O ATOM 5 O5' U B 1 22.484 11.129 38.036 1.00 32.07 O ATOM 6 C5' U B 1 22.386 11.489 39.422 1.00 27.60 C ATOM 7 C4' U B 1 20.955 11.800 39.770 1.00 25.26 C ATOM 8 O4' U B 1 20.475 12.900 38.953 1.00 24.89 O ATOM 9 C3' U B 1 19.969 10.687 39.482 1.00 23.49 C ATOM 10 O3' U B 1 19.966 9.765 40.557 1.00 25.58 O ATOM 11 C2' U B 1 18.655 11.450 39.421 1.00 23.62 C ATOM 12 O2' U B 1 18.167 11.758 40.714 1.00 22.42 O ATOM 13 C1' U B 1 19.087 12.735 38.710 1.00 22.52 C ATOM 14 N1 U B 1 18.867 12.695 37.256 1.00 22.54 N ATOM 15 C2 U B 1 17.561 12.817 36.798 1.00 22.60 C ATOM 16 O2 U B 1 16.603 12.957 37.540 1.00 22.89 O ATOM 17 N3 U B 1 17.417 12.767 35.434 1.00 24.75 N ATOM 18 C4 U B 1 18.413 12.603 34.499 1.00 23.90 C ATOM 19 O4 U B 1 18.110 12.529 33.305 1.00 23.59 O ATOM 20 C5 U B 1 19.737 12.487 35.046 1.00 20.82 C ATOM 21 C6 U B 1 19.914 12.539 36.372 1.00 20.85 C ATOM 0 H5' U B 1 22.946 12.259 39.605 1.00 27.60 H new ATOM 0 H5'' U B 1 22.712 10.763 39.977 1.00 27.60 H new ATOM 0 H4' U B 1 20.985 11.978 40.723 1.00 25.26 H new ATOM 0 H3' U B 1 20.158 10.172 38.682 1.00 23.49 H new ATOM 0 H2' U B 1 17.942 10.956 38.986 1.00 23.62 H new ATOM 0 HO2' U B 1 18.621 11.348 41.290 1.00 22.42 H new ATOM 0 H1' U B 1 18.553 13.468 39.054 1.00 22.52 H new ATOM 0 H3 U B 1 16.616 12.847 35.130 1.00 24.75 H new ATOM 0 H5 U B 1 20.468 12.376 34.481 1.00 20.82 H new ATOM 0 H6 U B 1 20.777 12.467 36.710 1.00 20.85 H new ATOM 22 P C B 2 19.547 8.238 40.295 1.00 28.25 P ATOM 23 OP1 C B 2 19.705 7.518 41.586 1.00 27.97 O ATOM 24 OP2 C B 2 20.280 7.761 39.094 1.00 30.27 O ATOM 25 O5' C B 2 17.998 8.310 39.929 1.00 26.97 O ATOM 26 C5' C B 2 17.034 8.681 40.905 1.00 26.07 C ATOM 27 C4' C B 2 15.656 8.743 40.285 1.00 26.81 C ATOM 28 O4' C B 2 15.573 9.831 39.318 1.00 23.11 O ATOM 29 C3' C B 2 15.222 7.548 39.456 1.00 27.25 C ATOM 30 O3' C B 2 14.824 6.447 40.251 1.00 30.41 O ATOM 31 C2' C B 2 14.039 8.134 38.711 1.00 25.97 C ATOM 32 O2' C B 2 12.938 8.271 39.582 1.00 25.28 O ATOM 33 C1' C B 2 14.593 9.511 38.340 1.00 23.50 C ATOM 34 N1 C B 2 15.244 9.480 37.027 1.00 23.00 N ATOM 35 C2 C B 2 14.441 9.494 35.885 1.00 20.81 C ATOM 36 O2 C B 2 13.209 9.550 36.020 1.00 22.71 O ATOM 37 N3 C B 2 15.021 9.447 34.670 1.00 17.82 N ATOM 38 C4 C B 2 16.350 9.386 34.567 1.00 21.98 C ATOM 39 N4 C B 2 16.880 9.327 33.342 1.00 23.45 N ATOM 40 C5 C B 2 17.195 9.381 35.714 1.00 21.18 C ATOM 41 C6 C B 2 16.606 9.430 36.915 1.00 21.28 C ATOM 0 H5' C B 2 17.264 9.544 41.284 1.00 26.07 H new ATOM 0 H5'' C B 2 17.039 8.041 41.633 1.00 26.07 H new ATOM 0 H4' C B 2 15.096 8.824 41.073 1.00 26.81 H new ATOM 0 H3' C B 2 15.927 7.188 38.896 1.00 27.25 H new ATOM 0 H2' C B 2 13.726 7.605 37.961 1.00 25.97 H new ATOM 0 HO2' C B 2 12.964 7.666 40.164 1.00 25.28 H new ATOM 0 H1' C B 2 13.873 10.160 38.307 1.00 23.50 H new ATOM 0 H41 C B 2 17.733 9.287 33.244 1.00 23.45 H new ATOM 0 H42 C B 2 16.368 9.329 32.651 1.00 23.45 H new ATOM 0 H5 C B 2 18.121 9.345 35.631 1.00 21.18 H new ATOM 0 H6 C B 2 17.130 9.430 37.683 1.00 21.28 H new ATOM 42 P G B 3 15.217 4.966 39.784 1.00 32.23 P ATOM 43 OP1 G B 3 15.083 4.094 40.977 1.00 33.74 O ATOM 44 OP2 G B 3 16.507 5.029 39.059 1.00 35.34 O ATOM 45 O5' G B 3 14.111 4.592 38.697 1.00 35.74 O ATOM 46 C5' G B 3 12.741 4.596 39.041 1.00 33.74 C ATOM 47 C4' G B 3 11.894 5.139 37.912 1.00 32.87 C ATOM 48 O4' G B 3 12.623 6.170 37.195 1.00 31.97 O ATOM 49 C3' G B 3 11.485 4.195 36.794 1.00 31.66 C ATOM 50 O3' G B 3 10.394 3.391 37.222 1.00 31.83 O ATOM 51 C2' G B 3 11.032 5.191 35.730 1.00 32.36 C ATOM 52 O2' G B 3 9.752 5.723 36.013 1.00 32.07 O ATOM 53 C1' G B 3 12.070 6.304 35.895 1.00 30.78 C ATOM 54 N9 G B 3 13.143 6.224 34.913 1.00 29.57 N ATOM 55 C8 G B 3 14.467 5.939 35.143 1.00 28.77 C ATOM 56 N7 G B 3 15.186 5.931 34.051 1.00 27.66 N ATOM 57 C5 G B 3 14.282 6.233 33.042 1.00 28.11 C ATOM 58 C6 G B 3 14.478 6.363 31.643 1.00 28.45 C ATOM 59 O6 G B 3 15.519 6.223 30.998 1.00 26.13 O ATOM 60 N1 G B 3 13.293 6.683 30.986 1.00 30.93 N ATOM 61 C2 G B 3 12.071 6.848 31.596 1.00 31.05 C ATOM 62 N2 G B 3 11.042 7.147 30.784 1.00 28.64 N ATOM 63 N3 G B 3 11.875 6.726 32.903 1.00 30.31 N ATOM 64 C4 G B 3 13.017 6.420 33.558 1.00 28.93 C ATOM 0 H5' G B 3 12.607 5.134 39.837 1.00 33.74 H new ATOM 0 H5'' G B 3 12.457 3.694 39.257 1.00 33.74 H new ATOM 0 H4' G B 3 11.099 5.410 38.397 1.00 32.87 H new ATOM 0 H3' G B 3 12.175 3.580 36.499 1.00 31.66 H new ATOM 0 H2' G B 3 10.970 4.795 34.847 1.00 32.36 H new ATOM 0 HO2' G B 3 9.611 6.391 35.523 1.00 32.07 H new ATOM 0 H1' G B 3 11.632 7.160 35.764 1.00 30.78 H new ATOM 0 H8 G B 3 14.816 5.769 35.988 1.00 28.77 H new ATOM 0 H1 G B 3 13.328 6.785 30.133 1.00 30.93 H new ATOM 0 H21 G B 3 10.255 7.261 31.111 1.00 28.64 H new ATOM 0 H22 G B 3 11.171 7.224 29.937 1.00 28.64 H new ATOM 65 P A B 4 10.121 1.967 36.525 1.00 34.76 P ATOM 66 OP1 A B 4 9.099 1.279 37.360 1.00 32.89 O ATOM 67 OP2 A B 4 11.417 1.301 36.255 1.00 34.78 O ATOM 68 O5' A B 4 9.443 2.350 35.135 1.00 32.71 O ATOM 69 C5' A B 4 8.185 3.006 35.112 1.00 31.74 C ATOM 70 C4' A B 4 7.770 3.287 33.695 1.00 33.18 C ATOM 71 O4' A B 4 8.613 4.322 33.127 1.00 31.66 O ATOM 72 C3' A B 4 7.914 2.118 32.738 1.00 34.09 C ATOM 73 O3' A B 4 6.779 1.271 32.823 1.00 37.65 O ATOM 74 C2' A B 4 7.986 2.828 31.398 1.00 31.02 C ATOM 75 O2' A B 4 6.710 3.266 30.985 1.00 30.73 O ATOM 76 C1' A B 4 8.845 4.041 31.758 1.00 29.55 C ATOM 77 N9 A B 4 10.272 3.782 31.595 1.00 28.20 N ATOM 78 C8 A B 4 11.180 3.410 32.558 1.00 24.52 C ATOM 79 N7 A B 4 12.399 3.257 32.101 1.00 26.14 N ATOM 80 C5 A B 4 12.284 3.542 30.747 1.00 24.46 C ATOM 81 C6 A B 4 13.219 3.558 29.706 1.00 25.60 C ATOM 82 N6 A B 4 14.509 3.250 29.867 1.00 24.73 N ATOM 83 N1 A B 4 12.781 3.901 28.472 1.00 27.12 N ATOM 84 C2 A B 4 11.484 4.195 28.311 1.00 25.78 C ATOM 85 N3 A B 4 10.509 4.203 29.210 1.00 26.44 N ATOM 86 C4 A B 4 10.981 3.866 30.423 1.00 26.06 C ATOM 0 H5' A B 4 8.237 3.836 35.611 1.00 31.74 H new ATOM 0 H5'' A B 4 7.517 2.454 35.548 1.00 31.74 H new ATOM 0 H4' A B 4 6.833 3.527 33.773 1.00 33.18 H new ATOM 0 H3' A B 4 8.675 1.542 32.911 1.00 34.09 H new ATOM 0 H2' A B 4 8.326 2.274 30.678 1.00 31.02 H new ATOM 0 HO2' A B 4 6.125 2.947 31.497 1.00 30.73 H new ATOM 0 H1' A B 4 8.605 4.774 31.170 1.00 29.55 H new ATOM 0 H8 A B 4 10.951 3.279 33.450 1.00 24.52 H new ATOM 0 H61 A B 4 15.044 3.275 29.194 1.00 24.73 H new ATOM 0 H62 A B 4 14.804 3.027 30.643 1.00 24.73 H new ATOM 0 H2 A B 4 11.232 4.426 27.446 1.00 25.78 H new ATOM 87 P C B 5 6.909 -0.271 32.403 1.00 41.52 P ATOM 88 OP1 C B 5 5.564 -0.874 32.563 1.00 45.24 O ATOM 89 OP2 C B 5 8.074 -0.873 33.113 1.00 43.08 O ATOM 90 O5' C B 5 7.240 -0.207 30.846 1.00 40.17 O ATOM 91 C5' C B 5 6.275 0.280 29.929 1.00 38.75 C ATOM 92 C4' C B 5 6.880 0.436 28.558 1.00 37.99 C ATOM 93 O4' C B 5 7.994 1.363 28.622 1.00 37.64 O ATOM 94 C3' C B 5 7.502 -0.804 27.939 1.00 37.59 C ATOM 95 O3' C B 5 6.502 -1.635 27.361 1.00 35.00 O ATOM 96 C2' C B 5 8.388 -0.184 26.866 1.00 37.22 C ATOM 97 O2' C B 5 7.627 0.239 25.754 1.00 38.80 O ATOM 98 C1' C B 5 8.921 1.056 27.591 1.00 37.70 C ATOM 99 N1 C B 5 10.248 0.853 28.193 1.00 35.92 N ATOM 100 C2 C B 5 11.389 1.022 27.392 1.00 35.94 C ATOM 101 O2 C B 5 11.250 1.350 26.201 1.00 35.03 O ATOM 102 N3 C B 5 12.611 0.825 27.934 1.00 35.41 N ATOM 103 C4 C B 5 12.723 0.473 29.216 1.00 34.40 C ATOM 104 N4 C B 5 13.952 0.281 29.705 1.00 36.95 N ATOM 105 C5 C B 5 11.582 0.302 30.054 1.00 35.55 C ATOM 106 C6 C B 5 10.376 0.500 29.507 1.00 35.22 C ATOM 0 H5' C B 5 5.932 1.134 30.236 1.00 38.75 H new ATOM 0 H5'' C B 5 5.522 -0.331 29.889 1.00 38.75 H new ATOM 0 H4' C B 5 6.120 0.711 28.022 1.00 37.99 H new ATOM 0 H3' C B 5 7.975 -1.374 28.566 1.00 37.59 H new ATOM 0 H2' C B 5 9.060 -0.795 26.526 1.00 37.22 H new ATOM 0 HO2' C B 5 6.829 -0.006 25.851 1.00 38.80 H new ATOM 0 H1' C B 5 9.018 1.771 26.943 1.00 37.70 H new ATOM 0 H41 C B 5 14.057 0.054 30.528 1.00 36.95 H new ATOM 0 H42 C B 5 14.638 0.385 29.197 1.00 36.95 H new ATOM 0 H5 C B 5 11.672 0.062 30.948 1.00 35.55 H new ATOM 0 H6 C B 5 9.614 0.396 30.029 1.00 35.22 H new ATOM 107 P A B 6 6.847 -3.162 26.997 1.00 34.91 P ATOM 108 OP1 A B 6 5.590 -3.792 26.515 1.00 35.60 O ATOM 109 OP2 A B 6 7.595 -3.778 28.124 1.00 35.44 O ATOM 110 O5' A B 6 7.847 -3.051 25.758 1.00 32.85 O ATOM 111 C5' A B 6 7.369 -2.695 24.464 1.00 27.19 C ATOM 112 C4' A B 6 8.504 -2.709 23.468 1.00 24.40 C ATOM 113 O4' A B 6 9.484 -1.699 23.837 1.00 27.42 O ATOM 114 C3' A B 6 9.319 -3.991 23.410 1.00 22.15 C ATOM 115 O3' A B 6 8.691 -5.092 22.724 1.00 18.02 O ATOM 116 C2' A B 6 10.616 -3.499 22.784 1.00 22.98 C ATOM 117 O2' A B 6 10.499 -3.280 21.393 1.00 22.24 O ATOM 118 C1' A B 6 10.783 -2.146 23.480 1.00 25.26 C ATOM 119 N9 A B 6 11.588 -2.247 24.698 1.00 27.30 N ATOM 120 C8 A B 6 11.158 -2.315 26.003 1.00 25.27 C ATOM 121 N7 A B 6 12.131 -2.422 26.874 1.00 24.99 N ATOM 122 C5 A B 6 13.280 -2.421 26.094 1.00 27.35 C ATOM 123 C6 A B 6 14.647 -2.506 26.420 1.00 29.05 C ATOM 124 N6 A B 6 15.106 -2.632 27.672 1.00 29.14 N ATOM 125 N1 A B 6 15.540 -2.461 25.402 1.00 29.02 N ATOM 126 C2 A B 6 15.076 -2.349 24.145 1.00 29.35 C ATOM 127 N3 A B 6 13.815 -2.270 23.714 1.00 25.73 N ATOM 128 C4 A B 6 12.959 -2.309 24.751 1.00 27.01 C ATOM 0 H5' A B 6 6.965 -1.814 24.492 1.00 27.19 H new ATOM 0 H5'' A B 6 6.677 -3.315 24.185 1.00 27.19 H new ATOM 0 H4' A B 6 8.059 -2.573 22.617 1.00 24.40 H new ATOM 0 H3' A B 6 9.441 -4.403 24.279 1.00 22.15 H new ATOM 0 H2' A B 6 11.345 -4.131 22.888 1.00 22.98 H new ATOM 0 HO2' A B 6 10.263 -3.992 21.016 1.00 22.24 H new ATOM 0 HO3' A B 6 7.970 -5.287 23.108 1.00 18.02 H new ATOM 0 H1' A B 6 11.237 -1.536 22.878 1.00 25.26 H new ATOM 0 H8 A B 6 10.260 -2.288 26.244 1.00 25.27 H new ATOM 0 H61 A B 6 15.952 -2.680 27.817 1.00 29.14 H new ATOM 0 H62 A B 6 14.554 -2.665 28.331 1.00 29.14 H new ATOM 0 H2 A B 6 15.727 -2.323 23.481 1.00 29.35 H new TER 129 A B 6 ATOM 130 O5' DA C 1 25.553 -3.956 30.250 1.00 43.56 O ATOM 131 C5' DA C 1 26.531 -4.689 29.480 1.00 38.62 C ATOM 132 C4' DA C 1 26.098 -4.761 28.037 1.00 34.73 C ATOM 133 O4' DA C 1 24.855 -5.504 27.966 1.00 33.77 O ATOM 134 C3' DA C 1 25.816 -3.385 27.438 1.00 32.32 C ATOM 135 O3' DA C 1 26.318 -3.290 26.109 1.00 32.30 O ATOM 136 C2' DA C 1 24.304 -3.272 27.466 1.00 32.39 C ATOM 137 C1' DA C 1 23.831 -4.714 27.378 1.00 32.45 C ATOM 138 N9 DA C 1 22.608 -4.929 28.147 1.00 30.88 N ATOM 139 C8 DA C 1 22.468 -4.818 29.508 1.00 32.42 C ATOM 140 N7 DA C 1 21.244 -5.014 29.934 1.00 30.59 N ATOM 141 C5 DA C 1 20.530 -5.282 28.777 1.00 30.82 C ATOM 142 C6 DA C 1 19.179 -5.567 28.559 1.00 31.20 C ATOM 143 N6 DA C 1 18.282 -5.629 29.542 1.00 29.38 N ATOM 144 N1 DA C 1 18.776 -5.789 27.284 1.00 31.39 N ATOM 145 C2 DA C 1 19.694 -5.731 26.305 1.00 33.54 C ATOM 146 N3 DA C 1 21.003 -5.470 26.388 1.00 30.52 N ATOM 147 C4 DA C 1 21.359 -5.247 27.667 1.00 31.97 C ATOM 0 H5' DA C 1 26.634 -5.584 29.840 1.00 38.62 H new ATOM 0 H5'' DA C 1 27.397 -4.256 29.545 1.00 38.62 H new ATOM 0 H4' DA C 1 26.821 -5.179 27.543 1.00 34.73 H new ATOM 0 H3' DA C 1 26.249 -2.670 27.930 1.00 32.32 H new ATOM 0 H2' DA C 1 23.994 -2.845 28.280 1.00 32.39 H new ATOM 0 H2'' DA C 1 23.973 -2.743 26.724 1.00 32.39 H new ATOM 0 HO5' DA C 1 25.798 -3.920 31.053 1.00 43.56 H new ATOM 0 H1' DA C 1 23.651 -4.941 26.452 1.00 32.45 H new ATOM 0 H8 DA C 1 23.177 -4.622 30.076 1.00 32.42 H new ATOM 0 H61 DA C 1 17.460 -5.808 29.363 1.00 29.38 H new ATOM 0 H62 DA C 1 18.525 -5.490 30.355 1.00 29.38 H new ATOM 0 H2 DA C 1 19.374 -5.896 25.448 1.00 33.54 H new ATOM 148 P DT C 2 26.183 -1.904 25.313 1.00 31.98 P ATOM 149 OP1 DT C 2 27.290 -1.876 24.332 1.00 30.08 O ATOM 150 OP2 DT C 2 26.018 -0.786 26.277 1.00 31.24 O ATOM 151 O5' DT C 2 24.816 -2.081 24.521 1.00 30.03 O ATOM 152 C5' DT C 2 24.647 -3.176 23.633 1.00 25.74 C ATOM 153 C4' DT C 2 23.394 -2.990 22.816 1.00 24.56 C ATOM 154 O4' DT C 2 22.227 -3.283 23.621 1.00 23.40 O ATOM 155 C3' DT C 2 23.201 -1.576 22.268 1.00 23.64 C ATOM 156 O3' DT C 2 22.837 -1.652 20.890 1.00 24.52 O ATOM 157 C2' DT C 2 22.063 -1.016 23.110 1.00 22.56 C ATOM 158 C1' DT C 2 21.263 -2.267 23.430 1.00 21.57 C ATOM 159 N1 DT C 2 20.406 -2.227 24.632 1.00 20.41 N ATOM 160 C2 DT C 2 19.045 -2.387 24.462 1.00 21.35 C ATOM 161 O2 DT C 2 18.517 -2.520 23.378 1.00 21.95 O ATOM 162 N3 DT C 2 18.316 -2.379 25.621 1.00 23.30 N ATOM 163 C4 DT C 2 18.791 -2.221 26.901 1.00 22.46 C ATOM 164 O4 DT C 2 18.012 -2.249 27.844 1.00 25.87 O ATOM 165 C5 DT C 2 20.221 -2.036 27.012 1.00 22.92 C ATOM 166 C7 DT C 2 20.816 -1.835 28.369 1.00 25.24 C ATOM 167 C6 DT C 2 20.951 -2.051 25.886 1.00 21.18 C ATOM 0 H5' DT C 2 24.594 -4.004 24.135 1.00 25.74 H new ATOM 0 H5'' DT C 2 25.416 -3.248 23.047 1.00 25.74 H new ATOM 0 H4' DT C 2 23.496 -3.597 22.067 1.00 24.56 H new ATOM 0 H3' DT C 2 23.996 -1.022 22.317 1.00 23.64 H new ATOM 0 H2' DT C 2 22.387 -0.577 23.912 1.00 22.56 H new ATOM 0 H2'' DT C 2 21.537 -0.363 22.622 1.00 22.56 H new ATOM 0 H1' DT C 2 20.640 -2.398 22.698 1.00 21.57 H new ATOM 0 H3 DT C 2 17.466 -2.485 25.539 1.00 23.30 H new ATOM 0 H71 DT C 2 21.720 -2.186 28.381 1.00 25.24 H new ATOM 0 H72 DT C 2 20.835 -0.888 28.577 1.00 25.24 H new ATOM 0 H73 DT C 2 20.280 -2.301 29.030 1.00 25.24 H new ATOM 0 H6 DT C 2 21.871 -1.937 25.955 1.00 21.18 H new ATOM 168 P DG C 3 22.844 -0.329 19.989 1.00 23.75 P ATOM 169 OP1 DG C 3 23.031 -0.753 18.586 1.00 25.50 O ATOM 170 OP2 DG C 3 23.746 0.689 20.571 1.00 25.18 O ATOM 171 O5' DG C 3 21.369 0.210 20.164 1.00 25.89 O ATOM 172 C5' DG C 3 21.130 1.442 20.808 1.00 28.11 C ATOM 173 C4' DG C 3 19.651 1.714 20.815 1.00 29.37 C ATOM 174 O4' DG C 3 19.042 0.951 21.891 1.00 29.24 O ATOM 175 C3' DG C 3 19.286 3.176 21.055 1.00 28.94 C ATOM 176 O3' DG C 3 18.412 3.608 20.021 1.00 28.69 O ATOM 177 C2' DG C 3 18.575 3.169 22.399 1.00 30.05 C ATOM 178 C1' DG C 3 18.057 1.745 22.514 1.00 29.52 C ATOM 179 N9 DG C 3 17.914 1.314 23.900 1.00 29.04 N ATOM 180 C8 DG C 3 18.918 1.097 24.811 1.00 29.05 C ATOM 181 N7 DG C 3 18.473 0.849 26.012 1.00 29.69 N ATOM 182 C5 DG C 3 17.094 0.872 25.880 1.00 29.77 C ATOM 183 C6 DG C 3 16.078 0.696 26.853 1.00 32.66 C ATOM 184 O6 DG C 3 16.200 0.482 28.068 1.00 34.97 O ATOM 185 N1 DG C 3 14.811 0.800 26.295 1.00 32.50 N ATOM 186 C2 DG C 3 14.551 1.044 24.969 1.00 32.78 C ATOM 187 N2 DG C 3 13.260 1.106 24.625 1.00 33.62 N ATOM 188 N3 DG C 3 15.489 1.217 24.049 1.00 30.97 N ATOM 189 C4 DG C 3 16.730 1.121 24.575 1.00 29.84 C ATOM 0 H5' DG C 3 21.600 2.156 20.349 1.00 28.11 H new ATOM 0 H5'' DG C 3 21.470 1.417 21.716 1.00 28.11 H new ATOM 0 H4' DG C 3 19.330 1.465 19.934 1.00 29.37 H new ATOM 0 H3' DG C 3 20.050 3.773 21.056 1.00 28.94 H new ATOM 0 H2' DG C 3 19.180 3.390 23.125 1.00 30.05 H new ATOM 0 H2'' DG C 3 17.853 3.816 22.425 1.00 30.05 H new ATOM 0 H1' DG C 3 17.178 1.672 22.110 1.00 29.52 H new ATOM 0 H8 DG C 3 19.822 1.124 24.594 1.00 29.05 H new ATOM 0 H1 DG C 3 14.137 0.704 26.820 1.00 32.50 H new ATOM 0 H21 DG C 3 13.040 1.256 23.807 1.00 33.62 H new ATOM 0 H22 DG C 3 12.650 0.995 25.221 1.00 33.62 H new ATOM 190 P DT C 4 18.034 5.157 19.901 1.00 28.33 P ATOM 191 OP1 DT C 4 17.979 5.481 18.454 1.00 29.50 O ATOM 192 OP2 DT C 4 18.935 5.929 20.794 1.00 31.63 O ATOM 193 O5' DT C 4 16.552 5.193 20.472 1.00 29.34 O ATOM 194 C5' DT C 4 15.536 4.403 19.870 1.00 31.17 C ATOM 195 C4' DT C 4 14.190 4.765 20.444 1.00 35.95 C ATOM 196 O4' DT C 4 14.031 4.205 21.770 1.00 35.67 O ATOM 197 C3' DT C 4 13.973 6.269 20.588 1.00 37.51 C ATOM 198 O3' DT C 4 12.633 6.588 20.230 1.00 41.84 O ATOM 199 C2' DT C 4 14.223 6.524 22.063 1.00 35.08 C ATOM 200 C1' DT C 4 13.730 5.235 22.700 1.00 34.39 C ATOM 201 N1 DT C 4 14.386 4.889 23.971 1.00 32.45 N ATOM 202 C2 DT C 4 13.598 4.503 25.033 1.00 31.99 C ATOM 203 O2 DT C 4 12.380 4.436 24.974 1.00 31.51 O ATOM 204 N3 DT C 4 14.293 4.191 26.174 1.00 30.32 N ATOM 205 C4 DT C 4 15.662 4.220 26.349 1.00 29.81 C ATOM 206 O4 DT C 4 16.141 3.902 27.427 1.00 29.58 O ATOM 207 C5 DT C 4 16.425 4.636 25.192 1.00 30.25 C ATOM 208 C7 DT C 4 17.917 4.698 25.286 1.00 31.55 C ATOM 209 C6 DT C 4 15.758 4.947 24.079 1.00 30.33 C ATOM 0 H5' DT C 4 15.717 3.462 20.020 1.00 31.17 H new ATOM 0 H5'' DT C 4 15.534 4.542 18.910 1.00 31.17 H new ATOM 0 H4' DT C 4 13.547 4.405 19.813 1.00 35.95 H new ATOM 0 H3' DT C 4 14.548 6.806 20.021 1.00 37.51 H new ATOM 0 H2' DT C 4 15.161 6.684 22.249 1.00 35.08 H new ATOM 0 H2'' DT C 4 13.734 7.297 22.385 1.00 35.08 H new ATOM 0 H1' DT C 4 12.787 5.343 22.902 1.00 34.39 H new ATOM 0 H3 DT C 4 13.825 3.951 26.854 1.00 30.32 H new ATOM 0 H71 DT C 4 18.176 4.904 26.198 1.00 31.55 H new ATOM 0 H72 DT C 4 18.293 3.842 25.029 1.00 31.55 H new ATOM 0 H73 DT C 4 18.250 5.389 24.692 1.00 31.55 H new ATOM 0 H6 DT C 4 16.246 5.218 23.335 1.00 30.33 H new ATOM 210 P DC C 5 12.116 8.091 20.380 1.00 44.89 P ATOM 211 OP1 DC C 5 10.978 8.238 19.441 1.00 46.57 O ATOM 212 OP2 DC C 5 13.277 9.019 20.291 1.00 43.70 O ATOM 213 O5' DC C 5 11.564 8.125 21.870 1.00 46.42 O ATOM 214 C5' DC C 5 10.419 7.366 22.230 1.00 47.78 C ATOM 215 C4' DC C 5 9.857 7.882 23.531 1.00 49.90 C ATOM 216 O4' DC C 5 10.611 7.354 24.651 1.00 48.89 O ATOM 217 C3' DC C 5 9.925 9.406 23.646 1.00 50.72 C ATOM 218 O3' DC C 5 8.705 9.920 24.180 1.00 53.69 O ATOM 219 C2' DC C 5 11.072 9.639 24.614 1.00 48.51 C ATOM 220 C1' DC C 5 10.984 8.418 25.508 1.00 47.47 C ATOM 221 N1 DC C 5 12.237 8.049 26.192 1.00 45.68 N ATOM 222 C2 DC C 5 12.173 7.621 27.527 1.00 45.01 C ATOM 223 O2 DC C 5 11.061 7.518 28.075 1.00 43.17 O ATOM 224 N3 DC C 5 13.319 7.327 28.183 1.00 44.44 N ATOM 225 C4 DC C 5 14.493 7.438 27.557 1.00 44.55 C ATOM 226 N4 DC C 5 15.600 7.155 28.250 1.00 44.03 N ATOM 227 C5 DC C 5 14.585 7.847 26.193 1.00 43.65 C ATOM 228 C6 DC C 5 13.444 8.137 25.554 1.00 44.72 C ATOM 0 H5' DC C 5 10.655 6.429 22.318 1.00 47.78 H new ATOM 0 H5'' DC C 5 9.748 7.425 21.532 1.00 47.78 H new ATOM 0 H4' DC C 5 8.930 7.595 23.546 1.00 49.90 H new ATOM 0 H3' DC C 5 10.056 9.846 22.792 1.00 50.72 H new ATOM 0 H2' DC C 5 11.926 9.694 24.158 1.00 48.51 H new ATOM 0 H2'' DC C 5 10.964 10.463 25.114 1.00 48.51 H new ATOM 0 H1' DC C 5 10.355 8.609 26.221 1.00 47.47 H new ATOM 0 H41 DC C 5 16.371 7.217 27.874 1.00 44.03 H new ATOM 0 H42 DC C 5 15.542 6.910 29.072 1.00 44.03 H new ATOM 0 H5 DC C 5 15.407 7.910 25.763 1.00 43.65 H new ATOM 0 H6 DC C 5 13.473 8.402 24.663 1.00 44.72 H new ATOM 229 P DG C 6 8.501 11.510 24.305 1.00 55.82 P ATOM 230 OP1 DG C 6 7.168 11.811 23.717 1.00 56.56 O ATOM 231 OP2 DG C 6 9.708 12.212 23.791 1.00 55.07 O ATOM 232 O5' DG C 6 8.433 11.741 25.879 1.00 54.43 O ATOM 233 C5' DG C 6 7.494 11.021 26.675 1.00 52.46 C ATOM 234 C4' DG C 6 7.639 11.406 28.128 1.00 50.72 C ATOM 235 O4' DG C 6 8.773 10.728 28.732 1.00 48.55 O ATOM 236 C3' DG C 6 7.858 12.904 28.356 1.00 49.87 C ATOM 237 O3' DG C 6 7.087 13.363 29.456 1.00 50.20 O ATOM 238 C2' DG C 6 9.326 12.992 28.731 1.00 47.63 C ATOM 239 C1' DG C 6 9.537 11.674 29.453 1.00 45.78 C ATOM 240 N9 DG C 6 10.922 11.216 29.495 1.00 41.74 N ATOM 241 C8 DG C 6 11.832 11.211 28.466 1.00 40.27 C ATOM 242 N7 DG C 6 13.014 10.797 28.831 1.00 37.54 N ATOM 243 C5 DG C 6 12.872 10.499 30.179 1.00 36.94 C ATOM 244 C6 DG C 6 13.818 10.027 31.119 1.00 34.59 C ATOM 245 O6 DG C 6 15.014 9.782 30.949 1.00 35.33 O ATOM 246 N1 DG C 6 13.248 9.852 32.374 1.00 33.02 N ATOM 247 C2 DG C 6 11.940 10.106 32.687 1.00 33.70 C ATOM 248 N2 DG C 6 11.578 9.865 33.954 1.00 34.32 N ATOM 249 N3 DG C 6 11.051 10.562 31.824 1.00 35.56 N ATOM 250 C4 DG C 6 11.582 10.734 30.598 1.00 37.89 C ATOM 0 H5' DG C 6 7.635 10.067 26.571 1.00 52.46 H new ATOM 0 H5'' DG C 6 6.592 11.209 26.372 1.00 52.46 H new ATOM 0 H4' DG C 6 6.797 11.145 28.532 1.00 50.72 H new ATOM 0 H3' DG C 6 7.609 13.433 27.582 1.00 49.87 H new ATOM 0 H2' DG C 6 9.897 13.076 27.951 1.00 47.63 H new ATOM 0 H2'' DG C 6 9.511 13.754 29.302 1.00 47.63 H new ATOM 0 HO3' DG C 6 7.085 12.779 30.060 1.00 50.20 H new ATOM 0 H1' DG C 6 9.276 11.785 30.381 1.00 45.78 H new ATOM 0 H8 DG C 6 11.627 11.476 27.598 1.00 40.27 H new ATOM 0 H1 DG C 6 13.757 9.561 33.003 1.00 33.02 H new ATOM 0 H21 DG C 6 10.768 10.008 34.204 1.00 34.32 H new ATOM 0 H22 DG C 6 12.156 9.568 34.517 1.00 34.32 H new TER 251 DG C 6 ATOM 252 N LYS A 60 -9.043 -4.778 17.922 1.00 56.28 N ATOM 253 CA LYS A 60 -7.938 -4.734 18.919 1.00 56.20 C ATOM 254 C LYS A 60 -6.710 -5.386 18.311 1.00 56.82 C ATOM 255 O LYS A 60 -6.340 -6.500 18.690 1.00 57.78 O ATOM 256 CB LYS A 60 -8.340 -5.481 20.191 1.00 55.41 C ATOM 257 CG LYS A 60 -9.660 -5.022 20.799 1.00 55.28 C ATOM 258 CD LYS A 60 -9.715 -3.508 21.000 1.00 54.84 C ATOM 259 CE LYS A 60 -10.206 -2.777 19.751 1.00 54.53 C ATOM 260 NZ LYS A 60 -10.284 -1.296 19.934 1.00 54.34 N ATOM 0 HA LYS A 60 -7.747 -3.812 19.151 1.00 56.20 H new ATOM 0 HB2 LYS A 60 -8.400 -6.428 19.991 1.00 55.41 H new ATOM 0 HB3 LYS A 60 -7.638 -5.374 20.851 1.00 55.41 H new ATOM 0 HG2 LYS A 60 -10.391 -5.296 20.223 1.00 55.28 H new ATOM 0 HG3 LYS A 60 -9.791 -5.464 21.653 1.00 55.28 H new ATOM 0 HD2 LYS A 60 -10.302 -3.303 21.744 1.00 54.84 H new ATOM 0 HD3 LYS A 60 -8.833 -3.183 21.237 1.00 54.84 H new ATOM 0 HE2 LYS A 60 -9.611 -2.976 19.011 1.00 54.53 H new ATOM 0 HE3 LYS A 60 -11.082 -3.114 19.508 1.00 54.53 H new ATOM 0 HZ1 LYS A 60 -10.574 -0.919 19.182 1.00 54.34 H new ATOM 0 HZ2 LYS A 60 -10.848 -1.108 20.596 1.00 54.34 H new ATOM 0 HZ3 LYS A 60 -9.477 -0.978 20.133 1.00 54.34 H new ATOM 261 N GLU A 61 -6.081 -4.682 17.370 1.00 56.68 N ATOM 262 CA GLU A 61 -4.900 -5.187 16.688 1.00 55.02 C ATOM 263 C GLU A 61 -5.036 -6.682 16.452 1.00 52.99 C ATOM 264 O GLU A 61 -4.704 -7.493 17.316 1.00 53.47 O ATOM 265 CB GLU A 61 -3.641 -4.887 17.513 1.00 56.86 C ATOM 266 CG GLU A 61 -2.792 -3.733 16.981 1.00 60.33 C ATOM 267 CD GLU A 61 -1.605 -4.189 16.137 1.00 63.20 C ATOM 268 OE1 GLU A 61 -1.810 -4.861 15.095 1.00 65.26 O ATOM 269 OE2 GLU A 61 -0.445 -3.872 16.512 1.00 63.99 O ATOM 0 H GLU A 61 -6.330 -3.900 17.112 1.00 56.68 H new ATOM 0 HA GLU A 61 -4.818 -4.742 15.830 1.00 55.02 H new ATOM 0 HB2 GLU A 61 -3.906 -4.685 18.424 1.00 56.86 H new ATOM 0 HB3 GLU A 61 -3.093 -5.687 17.548 1.00 56.86 H new ATOM 0 HG2 GLU A 61 -3.352 -3.147 16.448 1.00 60.33 H new ATOM 0 HG3 GLU A 61 -2.465 -3.209 17.729 1.00 60.33 H new ATOM 270 N GLU A 62 -5.579 -7.041 15.297 1.00 49.83 N ATOM 271 CA GLU A 62 -5.710 -8.441 14.943 1.00 46.16 C ATOM 272 C GLU A 62 -4.338 -8.753 14.366 1.00 42.63 C ATOM 273 O GLU A 62 -3.661 -7.854 13.867 1.00 41.26 O ATOM 274 CB GLU A 62 -6.754 -8.639 13.842 1.00 48.27 C ATOM 275 CG GLU A 62 -8.197 -8.364 14.217 1.00 51.33 C ATOM 276 CD GLU A 62 -9.099 -8.295 12.989 1.00 53.39 C ATOM 277 OE1 GLU A 62 -9.220 -9.310 12.262 1.00 53.90 O ATOM 278 OE2 GLU A 62 -9.683 -7.215 12.746 1.00 54.06 O ATOM 0 H GLU A 62 -5.876 -6.490 14.708 1.00 49.83 H new ATOM 0 HA GLU A 62 -5.982 -8.994 15.692 1.00 46.16 H new ATOM 0 HB2 GLU A 62 -6.520 -8.065 13.096 1.00 48.27 H new ATOM 0 HB3 GLU A 62 -6.692 -9.554 13.526 1.00 48.27 H new ATOM 0 HG2 GLU A 62 -8.515 -9.061 14.813 1.00 51.33 H new ATOM 0 HG3 GLU A 62 -8.250 -7.527 14.705 1.00 51.33 H new ATOM 279 N ILE A 63 -3.914 -10.006 14.440 1.00 37.88 N ATOM 280 CA ILE A 63 -2.635 -10.368 13.864 1.00 33.63 C ATOM 281 C ILE A 63 -2.872 -10.519 12.372 1.00 31.39 C ATOM 282 O ILE A 63 -3.790 -11.216 11.959 1.00 30.60 O ATOM 283 CB ILE A 63 -2.124 -11.705 14.404 1.00 32.93 C ATOM 284 CG1 ILE A 63 -1.814 -11.581 15.895 1.00 32.38 C ATOM 285 CG2 ILE A 63 -0.894 -12.128 13.629 1.00 32.42 C ATOM 286 CD1 ILE A 63 -1.382 -12.880 16.529 1.00 30.28 C ATOM 0 H ILE A 63 -4.345 -10.650 14.813 1.00 37.88 H new ATOM 0 HA ILE A 63 -1.975 -9.691 14.081 1.00 33.63 H new ATOM 0 HB ILE A 63 -2.808 -12.384 14.293 1.00 32.93 H new ATOM 0 HG12 ILE A 63 -1.115 -10.920 16.019 1.00 32.38 H new ATOM 0 HG13 ILE A 63 -2.601 -11.251 16.355 1.00 32.38 H new ATOM 0 HG21 ILE A 63 -0.571 -12.976 13.972 1.00 32.42 H new ATOM 0 HG22 ILE A 63 -1.120 -12.224 12.691 1.00 32.42 H new ATOM 0 HG23 ILE A 63 -0.202 -11.455 13.727 1.00 32.42 H new ATOM 0 HD11 ILE A 63 -1.201 -12.736 17.471 1.00 30.28 H new ATOM 0 HD12 ILE A 63 -2.088 -13.538 16.433 1.00 30.28 H new ATOM 0 HD13 ILE A 63 -0.579 -13.203 16.091 1.00 30.28 H new ATOM 287 N ILE A 64 -2.064 -9.850 11.562 1.00 28.23 N ATOM 288 CA ILE A 64 -2.214 -9.959 10.120 1.00 25.83 C ATOM 289 C ILE A 64 -1.340 -11.132 9.728 1.00 24.92 C ATOM 290 O ILE A 64 -0.133 -10.981 9.538 1.00 24.55 O ATOM 291 CB ILE A 64 -1.724 -8.686 9.417 1.00 24.63 C ATOM 292 CG1 ILE A 64 -2.471 -7.480 9.983 1.00 25.71 C ATOM 293 CG2 ILE A 64 -1.941 -8.797 7.922 1.00 19.50 C ATOM 294 CD1 ILE A 64 -1.901 -6.158 9.553 1.00 27.93 C ATOM 0 H ILE A 64 -1.429 -9.333 11.824 1.00 28.23 H new ATOM 0 HA ILE A 64 -3.142 -10.080 9.865 1.00 25.83 H new ATOM 0 HB ILE A 64 -0.774 -8.573 9.575 1.00 24.63 H new ATOM 0 HG12 ILE A 64 -3.400 -7.527 9.708 1.00 25.71 H new ATOM 0 HG13 ILE A 64 -2.459 -7.528 10.952 1.00 25.71 H new ATOM 0 HG21 ILE A 64 -1.628 -7.988 7.488 1.00 19.50 H new ATOM 0 HG22 ILE A 64 -1.448 -9.559 7.579 1.00 19.50 H new ATOM 0 HG23 ILE A 64 -2.886 -8.916 7.740 1.00 19.50 H new ATOM 0 HD11 ILE A 64 -2.420 -5.439 9.946 1.00 27.93 H new ATOM 0 HD12 ILE A 64 -0.980 -6.091 9.849 1.00 27.93 H new ATOM 0 HD13 ILE A 64 -1.935 -6.090 8.586 1.00 27.93 H new ATOM 295 N TRP A 65 -1.943 -12.310 9.624 1.00 24.63 N ATOM 296 CA TRP A 65 -1.171 -13.502 9.290 1.00 23.57 C ATOM 297 C TRP A 65 -0.529 -13.470 7.913 1.00 22.64 C ATOM 298 O TRP A 65 0.475 -14.145 7.676 1.00 23.48 O ATOM 299 CB TRP A 65 -2.037 -14.749 9.451 1.00 22.22 C ATOM 300 CG TRP A 65 -2.495 -14.900 10.854 1.00 21.12 C ATOM 301 CD1 TRP A 65 -3.668 -14.446 11.389 1.00 22.41 C ATOM 302 CD2 TRP A 65 -1.749 -15.460 11.936 1.00 22.30 C ATOM 303 NE1 TRP A 65 -3.696 -14.687 12.743 1.00 21.82 N ATOM 304 CE2 TRP A 65 -2.530 -15.308 13.106 1.00 23.99 C ATOM 305 CE3 TRP A 65 -0.493 -16.075 12.035 1.00 22.58 C ATOM 306 CZ2 TRP A 65 -2.094 -15.748 14.360 1.00 23.64 C ATOM 307 CZ3 TRP A 65 -0.060 -16.513 13.284 1.00 23.19 C ATOM 308 CH2 TRP A 65 -0.861 -16.346 14.429 1.00 24.14 C ATOM 0 H TRP A 65 -2.785 -12.441 9.741 1.00 24.63 H new ATOM 0 HA TRP A 65 -0.432 -13.525 9.917 1.00 23.57 H new ATOM 0 HB2 TRP A 65 -2.805 -14.692 8.861 1.00 22.22 H new ATOM 0 HB3 TRP A 65 -1.533 -15.534 9.186 1.00 22.22 H new ATOM 0 HD1 TRP A 65 -4.349 -14.034 10.907 1.00 22.41 H new ATOM 0 HE1 TRP A 65 -4.340 -14.481 13.275 1.00 21.82 H new ATOM 0 HE3 TRP A 65 0.040 -16.188 11.282 1.00 22.58 H new ATOM 0 HZ2 TRP A 65 -2.620 -15.639 15.119 1.00 23.64 H new ATOM 0 HZ3 TRP A 65 0.771 -16.922 13.363 1.00 23.19 H new ATOM 0 HH2 TRP A 65 -0.548 -16.648 15.251 1.00 24.14 H new ATOM 309 N GLU A 66 -1.098 -12.688 7.007 1.00 22.11 N ATOM 310 CA GLU A 66 -0.527 -12.580 5.670 1.00 23.94 C ATOM 311 C GLU A 66 0.570 -11.540 5.795 1.00 20.92 C ATOM 312 O GLU A 66 0.394 -10.386 5.401 1.00 21.89 O ATOM 313 CB GLU A 66 -1.584 -12.117 4.665 1.00 25.19 C ATOM 314 CG GLU A 66 -1.092 -12.044 3.227 1.00 29.06 C ATOM 315 CD GLU A 66 -2.227 -11.850 2.236 1.00 32.04 C ATOM 316 OE1 GLU A 66 -3.151 -12.701 2.206 1.00 32.54 O ATOM 317 OE2 GLU A 66 -2.195 -10.850 1.485 1.00 31.51 O ATOM 0 H GLU A 66 -1.805 -12.217 7.141 1.00 22.11 H new ATOM 0 HA GLU A 66 -0.192 -13.432 5.350 1.00 23.94 H new ATOM 0 HB2 GLU A 66 -2.341 -12.722 4.706 1.00 25.19 H new ATOM 0 HB3 GLU A 66 -1.906 -11.241 4.930 1.00 25.19 H new ATOM 0 HG2 GLU A 66 -0.462 -11.312 3.140 1.00 29.06 H new ATOM 0 HG3 GLU A 66 -0.612 -12.859 3.010 1.00 29.06 H new ATOM 318 N SER A 67 1.698 -11.951 6.364 1.00 19.53 N ATOM 319 CA SER A 67 2.814 -11.041 6.560 1.00 18.06 C ATOM 320 C SER A 67 4.128 -11.792 6.728 1.00 18.76 C ATOM 321 O SER A 67 4.166 -13.021 6.745 1.00 17.64 O ATOM 322 CB SER A 67 2.570 -10.198 7.807 1.00 18.83 C ATOM 323 OG SER A 67 2.519 -11.033 8.949 1.00 19.80 O ATOM 0 H SER A 67 1.835 -12.753 6.643 1.00 19.53 H new ATOM 0 HA SER A 67 2.879 -10.479 5.772 1.00 18.06 H new ATOM 0 HB2 SER A 67 3.277 -9.542 7.907 1.00 18.83 H new ATOM 0 HB3 SER A 67 1.738 -9.707 7.718 1.00 18.83 H new ATOM 0 HG SER A 67 1.726 -11.087 9.221 1.00 19.80 H new ATOM 324 N LEU A 68 5.201 -11.026 6.864 1.00 17.70 N ATOM 325 CA LEU A 68 6.534 -11.566 7.056 1.00 17.51 C ATOM 326 C LEU A 68 6.963 -11.152 8.457 1.00 17.40 C ATOM 327 O LEU A 68 6.705 -10.023 8.869 1.00 19.03 O ATOM 328 CB LEU A 68 7.481 -10.956 6.009 1.00 18.08 C ATOM 329 CG LEU A 68 9.003 -11.137 6.090 1.00 19.38 C ATOM 330 CD1 LEU A 68 9.380 -12.602 5.891 1.00 19.16 C ATOM 331 CD2 LEU A 68 9.665 -10.286 4.998 1.00 17.08 C ATOM 0 H LEU A 68 5.173 -10.167 6.847 1.00 17.70 H new ATOM 0 HA LEU A 68 6.554 -12.531 6.957 1.00 17.51 H new ATOM 0 HB2 LEU A 68 7.203 -11.300 5.146 1.00 18.08 H new ATOM 0 HB3 LEU A 68 7.312 -10.001 6.001 1.00 18.08 H new ATOM 0 HG LEU A 68 9.310 -10.855 6.966 1.00 19.38 H new ATOM 0 HD11 LEU A 68 10.344 -12.699 5.945 1.00 19.16 H new ATOM 0 HD12 LEU A 68 8.962 -13.140 6.581 1.00 19.16 H new ATOM 0 HD13 LEU A 68 9.074 -12.900 5.020 1.00 19.16 H new ATOM 0 HD21 LEU A 68 10.628 -10.395 5.042 1.00 17.08 H new ATOM 0 HD22 LEU A 68 9.347 -10.572 4.127 1.00 17.08 H new ATOM 0 HD23 LEU A 68 9.439 -9.352 5.133 1.00 17.08 H new ATOM 332 N SER A 69 7.594 -12.057 9.198 1.00 16.12 N ATOM 333 CA SER A 69 8.072 -11.715 10.539 1.00 15.23 C ATOM 334 C SER A 69 9.582 -11.935 10.585 1.00 15.21 C ATOM 335 O SER A 69 10.091 -12.926 10.075 1.00 14.08 O ATOM 336 CB SER A 69 7.391 -12.581 11.602 1.00 15.05 C ATOM 337 OG SER A 69 5.995 -12.326 11.649 1.00 15.57 O ATOM 0 H SER A 69 7.755 -12.865 8.950 1.00 16.12 H new ATOM 0 HA SER A 69 7.858 -10.788 10.727 1.00 15.23 H new ATOM 0 HB2 SER A 69 7.545 -13.519 11.408 1.00 15.05 H new ATOM 0 HB3 SER A 69 7.785 -12.403 12.470 1.00 15.05 H new ATOM 0 HG SER A 69 5.612 -12.749 11.033 1.00 15.57 H new ATOM 338 N VAL A 70 10.303 -10.997 11.181 1.00 15.57 N ATOM 339 CA VAL A 70 11.744 -11.139 11.268 1.00 12.84 C ATOM 340 C VAL A 70 12.207 -10.997 12.697 1.00 14.53 C ATOM 341 O VAL A 70 11.507 -10.448 13.549 1.00 14.16 O ATOM 342 CB VAL A 70 12.477 -10.076 10.450 1.00 11.61 C ATOM 343 CG1 VAL A 70 12.140 -10.222 8.986 1.00 11.97 C ATOM 344 CG2 VAL A 70 12.107 -8.692 10.956 1.00 11.46 C ATOM 0 H VAL A 70 9.983 -10.282 11.536 1.00 15.57 H new ATOM 0 HA VAL A 70 11.950 -12.020 10.919 1.00 12.84 H new ATOM 0 HB VAL A 70 13.434 -10.196 10.553 1.00 11.61 H new ATOM 0 HG11 VAL A 70 12.610 -9.543 8.476 1.00 11.97 H new ATOM 0 HG12 VAL A 70 12.409 -11.101 8.678 1.00 11.97 H new ATOM 0 HG13 VAL A 70 11.184 -10.115 8.862 1.00 11.97 H new ATOM 0 HG21 VAL A 70 12.574 -8.021 10.434 1.00 11.46 H new ATOM 0 HG22 VAL A 70 11.150 -8.560 10.869 1.00 11.46 H new ATOM 0 HG23 VAL A 70 12.360 -8.610 11.889 1.00 11.46 H new ATOM 345 N ASP A 71 13.408 -11.482 12.959 1.00 15.55 N ATOM 346 CA ASP A 71 13.944 -11.363 14.294 1.00 16.55 C ATOM 347 C ASP A 71 15.439 -11.609 14.264 1.00 17.62 C ATOM 348 O ASP A 71 15.972 -12.176 13.302 1.00 14.51 O ATOM 349 CB ASP A 71 13.247 -12.356 15.217 1.00 15.70 C ATOM 350 CG ASP A 71 13.597 -12.142 16.668 1.00 18.23 C ATOM 351 OD1 ASP A 71 13.997 -11.014 17.028 1.00 15.44 O ATOM 352 OD2 ASP A 71 13.457 -13.104 17.451 1.00 19.55 O ATOM 0 H ASP A 71 13.918 -11.875 12.389 1.00 15.55 H new ATOM 0 HA ASP A 71 13.786 -10.468 14.633 1.00 16.55 H new ATOM 0 HB2 ASP A 71 12.287 -12.278 15.104 1.00 15.70 H new ATOM 0 HB3 ASP A 71 13.491 -13.259 14.959 1.00 15.70 H new ATOM 353 N VAL A 72 16.112 -11.150 15.311 1.00 16.59 N ATOM 354 CA VAL A 72 17.542 -11.333 15.418 1.00 17.64 C ATOM 355 C VAL A 72 17.818 -12.450 16.417 1.00 19.47 C ATOM 356 O VAL A 72 16.985 -12.775 17.266 1.00 19.12 O ATOM 357 CB VAL A 72 18.234 -10.041 15.902 1.00 17.47 C ATOM 358 CG1 VAL A 72 17.679 -9.626 17.269 1.00 15.03 C ATOM 359 CG2 VAL A 72 19.732 -10.252 15.984 1.00 13.50 C ATOM 0 H VAL A 72 15.754 -10.729 15.970 1.00 16.59 H new ATOM 0 HA VAL A 72 17.894 -11.559 14.543 1.00 17.64 H new ATOM 0 HB VAL A 72 18.055 -9.331 15.266 1.00 17.47 H new ATOM 0 HG11 VAL A 72 18.120 -8.814 17.564 1.00 15.03 H new ATOM 0 HG12 VAL A 72 16.725 -9.468 17.197 1.00 15.03 H new ATOM 0 HG13 VAL A 72 17.841 -10.334 17.913 1.00 15.03 H new ATOM 0 HG21 VAL A 72 20.158 -9.435 16.289 1.00 13.50 H new ATOM 0 HG22 VAL A 72 19.924 -10.969 16.608 1.00 13.50 H new ATOM 0 HG23 VAL A 72 20.074 -10.487 15.107 1.00 13.50 H new ATOM 360 N GLY A 73 18.993 -13.047 16.293 1.00 21.33 N ATOM 361 CA GLY A 73 19.392 -14.095 17.205 1.00 21.44 C ATOM 362 C GLY A 73 20.832 -13.779 17.537 1.00 23.14 C ATOM 363 O GLY A 73 21.609 -13.408 16.652 1.00 22.30 O ATOM 0 H GLY A 73 19.572 -12.858 15.686 1.00 21.33 H new ATOM 0 HA2 GLY A 73 18.839 -14.100 18.002 1.00 21.44 H new ATOM 0 HA3 GLY A 73 19.308 -14.970 16.796 1.00 21.44 H new ATOM 364 N SER A 74 21.209 -13.890 18.800 1.00 22.24 N ATOM 365 CA SER A 74 22.591 -13.591 19.125 1.00 24.86 C ATOM 366 C SER A 74 23.144 -14.466 20.221 1.00 24.84 C ATOM 367 O SER A 74 22.425 -15.220 20.866 1.00 24.56 O ATOM 368 CB SER A 74 22.746 -12.126 19.549 1.00 24.06 C ATOM 369 OG SER A 74 22.310 -11.938 20.885 1.00 23.53 O ATOM 0 H SER A 74 20.707 -14.126 19.457 1.00 22.24 H new ATOM 0 HA SER A 74 23.095 -13.767 18.315 1.00 24.86 H new ATOM 0 HB2 SER A 74 23.675 -11.858 19.467 1.00 24.06 H new ATOM 0 HB3 SER A 74 22.233 -11.557 18.954 1.00 24.06 H new ATOM 0 HG SER A 74 22.946 -11.643 21.348 1.00 23.53 H new ATOM 370 N GLN A 75 24.454 -14.376 20.383 1.00 25.07 N ATOM 371 CA GLN A 75 25.149 -15.074 21.438 1.00 26.08 C ATOM 372 C GLN A 75 25.949 -13.929 22.034 1.00 26.74 C ATOM 373 O GLN A 75 27.044 -13.601 21.562 1.00 28.43 O ATOM 374 CB GLN A 75 26.079 -16.147 20.888 1.00 27.80 C ATOM 375 CG GLN A 75 26.819 -16.884 21.993 1.00 29.33 C ATOM 376 CD GLN A 75 27.918 -17.768 21.463 1.00 30.61 C ATOM 377 OE1 GLN A 75 27.661 -18.834 20.898 1.00 32.32 O ATOM 378 NE2 GLN A 75 29.158 -17.323 21.629 1.00 31.71 N ATOM 0 H GLN A 75 24.965 -13.904 19.878 1.00 25.07 H new ATOM 0 HA GLN A 75 24.569 -15.545 22.057 1.00 26.08 H new ATOM 0 HB2 GLN A 75 25.565 -16.782 20.365 1.00 27.80 H new ATOM 0 HB3 GLN A 75 26.721 -15.739 20.286 1.00 27.80 H new ATOM 0 HG2 GLN A 75 27.197 -16.239 22.611 1.00 29.33 H new ATOM 0 HG3 GLN A 75 26.189 -17.423 22.496 1.00 29.33 H new ATOM 0 HE21 GLN A 75 29.296 -16.574 22.029 1.00 31.71 H new ATOM 0 HE22 GLN A 75 29.823 -17.784 21.337 1.00 31.71 H new ATOM 379 N GLY A 76 25.372 -13.299 23.050 1.00 26.34 N ATOM 380 CA GLY A 76 26.018 -12.166 23.685 1.00 25.91 C ATOM 381 C GLY A 76 25.489 -10.884 23.066 1.00 24.68 C ATOM 382 O GLY A 76 24.947 -10.909 21.960 1.00 24.11 O ATOM 0 H GLY A 76 24.609 -13.513 23.384 1.00 26.34 H new ATOM 0 HA2 GLY A 76 25.845 -12.173 24.639 1.00 25.91 H new ATOM 0 HA3 GLY A 76 26.980 -12.221 23.571 1.00 25.91 H new ATOM 383 N ASN A 77 25.627 -9.769 23.772 1.00 23.82 N ATOM 384 CA ASN A 77 25.168 -8.485 23.254 1.00 23.77 C ATOM 385 C ASN A 77 25.985 -7.344 23.858 1.00 24.56 C ATOM 386 O ASN A 77 25.779 -6.960 25.009 1.00 23.88 O ATOM 387 CB ASN A 77 23.674 -8.284 23.547 1.00 22.02 C ATOM 388 CG ASN A 77 23.142 -6.959 23.003 1.00 23.37 C ATOM 389 OD1 ASN A 77 23.539 -6.510 21.923 1.00 21.01 O ATOM 390 ND2 ASN A 77 22.225 -6.341 23.741 1.00 20.90 N ATOM 0 H ASN A 77 25.984 -9.733 24.554 1.00 23.82 H new ATOM 0 HA ASN A 77 25.294 -8.482 22.292 1.00 23.77 H new ATOM 0 HB2 ASN A 77 23.170 -9.015 23.157 1.00 22.02 H new ATOM 0 HB3 ASN A 77 23.528 -8.318 24.505 1.00 22.02 H new ATOM 0 HD21 ASN A 77 21.884 -5.599 23.471 1.00 20.90 H new ATOM 0 HD22 ASN A 77 21.972 -6.683 24.488 1.00 20.90 H new ATOM 391 N PRO A 78 26.921 -6.782 23.074 1.00 25.53 N ATOM 392 CA PRO A 78 27.188 -7.205 21.698 1.00 25.49 C ATOM 393 C PRO A 78 27.845 -8.577 21.629 1.00 26.57 C ATOM 394 O PRO A 78 28.448 -9.032 22.593 1.00 28.41 O ATOM 395 CB PRO A 78 28.084 -6.093 21.168 1.00 26.76 C ATOM 396 CG PRO A 78 28.855 -5.700 22.367 1.00 27.39 C ATOM 397 CD PRO A 78 27.804 -5.667 23.458 1.00 25.54 C ATOM 0 HA PRO A 78 26.381 -7.319 21.171 1.00 25.49 H new ATOM 0 HB2 PRO A 78 28.662 -6.405 20.454 1.00 26.76 H new ATOM 0 HB3 PRO A 78 27.568 -5.353 20.812 1.00 26.76 H new ATOM 0 HG2 PRO A 78 29.558 -6.338 22.566 1.00 27.39 H new ATOM 0 HG3 PRO A 78 29.280 -4.836 22.252 1.00 27.39 H new ATOM 0 HD2 PRO A 78 28.191 -5.798 24.338 1.00 25.54 H new ATOM 0 HD3 PRO A 78 27.330 -4.821 23.479 1.00 25.54 H new ATOM 398 N GLY A 79 27.709 -9.234 20.485 1.00 26.00 N ATOM 399 CA GLY A 79 28.284 -10.551 20.306 1.00 25.40 C ATOM 400 C GLY A 79 27.927 -11.059 18.925 1.00 25.17 C ATOM 401 O GLY A 79 27.670 -10.267 18.022 1.00 26.06 O ATOM 0 H GLY A 79 27.286 -8.931 19.800 1.00 26.00 H new ATOM 0 HA2 GLY A 79 29.248 -10.513 20.411 1.00 25.40 H new ATOM 0 HA3 GLY A 79 27.949 -11.158 20.984 1.00 25.40 H new ATOM 402 N ILE A 80 27.903 -12.375 18.748 1.00 25.17 N ATOM 403 CA ILE A 80 27.575 -12.935 17.447 1.00 25.43 C ATOM 404 C ILE A 80 26.093 -12.706 17.158 1.00 26.28 C ATOM 405 O ILE A 80 25.240 -12.987 18.004 1.00 24.60 O ATOM 406 CB ILE A 80 27.886 -14.436 17.402 1.00 25.88 C ATOM 407 CG1 ILE A 80 29.346 -14.664 17.792 1.00 27.70 C ATOM 408 CG2 ILE A 80 27.622 -14.982 15.995 1.00 23.54 C ATOM 409 CD1 ILE A 80 29.746 -16.125 17.860 1.00 29.43 C ATOM 0 H ILE A 80 28.072 -12.954 19.361 1.00 25.17 H new ATOM 0 HA ILE A 80 28.115 -12.493 16.773 1.00 25.43 H new ATOM 0 HB ILE A 80 27.312 -14.904 18.029 1.00 25.88 H new ATOM 0 HG12 ILE A 80 29.917 -14.212 17.151 1.00 27.70 H new ATOM 0 HG13 ILE A 80 29.508 -14.253 18.656 1.00 27.70 H new ATOM 0 HG21 ILE A 80 27.821 -15.931 15.974 1.00 23.54 H new ATOM 0 HG22 ILE A 80 26.691 -14.842 15.763 1.00 23.54 H new ATOM 0 HG23 ILE A 80 28.187 -14.519 15.357 1.00 23.54 H new ATOM 0 HD11 ILE A 80 30.680 -16.194 18.112 1.00 29.43 H new ATOM 0 HD12 ILE A 80 29.200 -16.580 18.520 1.00 29.43 H new ATOM 0 HD13 ILE A 80 29.614 -16.537 16.992 1.00 29.43 H new ATOM 410 N VAL A 81 25.796 -12.192 15.964 1.00 26.51 N ATOM 411 CA VAL A 81 24.421 -11.911 15.575 1.00 26.11 C ATOM 412 C VAL A 81 24.032 -12.437 14.197 1.00 26.53 C ATOM 413 O VAL A 81 24.835 -12.463 13.262 1.00 25.66 O ATOM 414 CB VAL A 81 24.137 -10.390 15.589 1.00 28.49 C ATOM 415 CG1 VAL A 81 24.406 -9.824 16.974 1.00 28.84 C ATOM 416 CG2 VAL A 81 25.004 -9.688 14.556 1.00 29.79 C ATOM 0 H VAL A 81 26.382 -11.999 15.365 1.00 26.51 H new ATOM 0 HA VAL A 81 23.888 -12.380 16.236 1.00 26.11 H new ATOM 0 HB VAL A 81 23.205 -10.241 15.366 1.00 28.49 H new ATOM 0 HG11 VAL A 81 24.226 -8.871 16.975 1.00 28.84 H new ATOM 0 HG12 VAL A 81 23.830 -10.262 17.620 1.00 28.84 H new ATOM 0 HG13 VAL A 81 25.334 -9.977 17.212 1.00 28.84 H new ATOM 0 HG21 VAL A 81 24.820 -8.736 14.572 1.00 29.79 H new ATOM 0 HG22 VAL A 81 25.940 -9.839 14.762 1.00 29.79 H new ATOM 0 HG23 VAL A 81 24.807 -10.041 13.674 1.00 29.79 H new ATOM 417 N GLU A 82 22.777 -12.849 14.085 1.00 25.09 N ATOM 418 CA GLU A 82 22.236 -13.342 12.832 1.00 25.31 C ATOM 419 C GLU A 82 20.765 -12.981 12.871 1.00 23.82 C ATOM 420 O GLU A 82 20.241 -12.590 13.916 1.00 23.57 O ATOM 421 CB GLU A 82 22.388 -14.857 12.732 1.00 27.64 C ATOM 422 CG GLU A 82 21.488 -15.628 13.673 1.00 31.33 C ATOM 423 CD GLU A 82 21.841 -17.093 13.717 1.00 35.07 C ATOM 424 OE1 GLU A 82 21.872 -17.727 12.642 1.00 35.17 O ATOM 425 OE2 GLU A 82 22.089 -17.609 14.829 1.00 38.05 O ATOM 0 H GLU A 82 22.215 -12.850 14.736 1.00 25.09 H new ATOM 0 HA GLU A 82 22.697 -12.958 12.070 1.00 25.31 H new ATOM 0 HB2 GLU A 82 22.200 -15.132 11.821 1.00 27.64 H new ATOM 0 HB3 GLU A 82 23.311 -15.093 12.915 1.00 27.64 H new ATOM 0 HG2 GLU A 82 21.556 -15.253 14.565 1.00 31.33 H new ATOM 0 HG3 GLU A 82 20.565 -15.527 13.392 1.00 31.33 H new ATOM 426 N TYR A 83 20.092 -13.106 11.742 1.00 22.60 N ATOM 427 CA TYR A 83 18.680 -12.786 11.705 1.00 21.31 C ATOM 428 C TYR A 83 18.020 -13.612 10.622 1.00 20.87 C ATOM 429 O TYR A 83 18.699 -14.204 9.782 1.00 20.31 O ATOM 430 CB TYR A 83 18.490 -11.289 11.445 1.00 22.24 C ATOM 431 CG TYR A 83 18.992 -10.802 10.097 1.00 25.06 C ATOM 432 CD1 TYR A 83 18.271 -11.054 8.929 1.00 23.56 C ATOM 433 CD2 TYR A 83 20.173 -10.066 9.994 1.00 25.24 C ATOM 434 CE1 TYR A 83 18.706 -10.582 7.699 1.00 26.08 C ATOM 435 CE2 TYR A 83 20.620 -9.590 8.763 1.00 25.76 C ATOM 436 CZ TYR A 83 19.880 -9.849 7.623 1.00 27.63 C ATOM 437 OH TYR A 83 20.293 -9.355 6.405 1.00 30.14 O ATOM 0 H TYR A 83 20.428 -13.371 10.996 1.00 22.60 H new ATOM 0 HA TYR A 83 18.268 -12.995 12.558 1.00 21.31 H new ATOM 0 HB2 TYR A 83 17.546 -11.079 11.518 1.00 22.24 H new ATOM 0 HB3 TYR A 83 18.946 -10.793 12.143 1.00 22.24 H new ATOM 0 HD1 TYR A 83 17.484 -11.548 8.976 1.00 23.56 H new ATOM 0 HD2 TYR A 83 20.670 -9.890 10.760 1.00 25.24 H new ATOM 0 HE1 TYR A 83 18.213 -10.756 6.930 1.00 26.08 H new ATOM 0 HE2 TYR A 83 21.410 -9.102 8.708 1.00 25.76 H new ATOM 0 HH TYR A 83 21.013 -8.933 6.503 1.00 30.14 H new ATOM 438 N LYS A 84 16.698 -13.679 10.661 1.00 19.45 N ATOM 439 CA LYS A 84 15.969 -14.429 9.655 1.00 18.52 C ATOM 440 C LYS A 84 14.549 -13.894 9.544 1.00 18.49 C ATOM 441 O LYS A 84 14.074 -13.168 10.426 1.00 16.59 O ATOM 442 CB LYS A 84 15.945 -15.917 10.010 1.00 21.18 C ATOM 443 CG LYS A 84 15.290 -16.228 11.339 1.00 24.92 C ATOM 444 CD LYS A 84 15.305 -17.718 11.641 1.00 27.29 C ATOM 445 CE LYS A 84 14.735 -17.984 13.030 1.00 28.81 C ATOM 446 NZ LYS A 84 14.837 -19.412 13.393 1.00 32.46 N ATOM 0 H LYS A 84 16.208 -13.300 11.257 1.00 19.45 H new ATOM 0 HA LYS A 84 16.417 -14.325 8.801 1.00 18.52 H new ATOM 0 HB2 LYS A 84 15.477 -16.399 9.310 1.00 21.18 H new ATOM 0 HB3 LYS A 84 16.856 -16.251 10.024 1.00 21.18 H new ATOM 0 HG2 LYS A 84 15.751 -15.750 12.046 1.00 24.92 H new ATOM 0 HG3 LYS A 84 14.374 -15.909 11.331 1.00 24.92 H new ATOM 0 HD2 LYS A 84 14.785 -18.194 10.975 1.00 27.29 H new ATOM 0 HD3 LYS A 84 16.213 -18.056 11.587 1.00 27.29 H new ATOM 0 HE2 LYS A 84 15.210 -17.448 13.684 1.00 28.81 H new ATOM 0 HE3 LYS A 84 13.806 -17.707 13.058 1.00 28.81 H new ATOM 0 HZ1 LYS A 84 14.051 -19.698 13.697 1.00 32.46 H new ATOM 0 HZ2 LYS A 84 15.067 -19.885 12.675 1.00 32.46 H new ATOM 0 HZ3 LYS A 84 15.455 -19.514 14.026 1.00 32.46 H new ATOM 447 N GLY A 85 13.887 -14.251 8.448 1.00 16.98 N ATOM 448 CA GLY A 85 12.523 -13.822 8.221 1.00 16.32 C ATOM 449 C GLY A 85 11.705 -15.054 7.894 1.00 18.48 C ATOM 450 O GLY A 85 12.160 -15.924 7.143 1.00 16.71 O ATOM 0 H GLY A 85 14.216 -14.743 7.824 1.00 16.98 H new ATOM 0 HA2 GLY A 85 12.170 -13.377 9.008 1.00 16.32 H new ATOM 0 HA3 GLY A 85 12.483 -13.183 7.492 1.00 16.32 H new ATOM 451 N VAL A 86 10.507 -15.143 8.460 1.00 17.99 N ATOM 452 CA VAL A 86 9.651 -16.298 8.216 1.00 19.59 C ATOM 453 C VAL A 86 8.243 -15.870 7.833 1.00 20.64 C ATOM 454 O VAL A 86 7.871 -14.706 7.995 1.00 17.44 O ATOM 455 CB VAL A 86 9.527 -17.191 9.476 1.00 18.38 C ATOM 456 CG1 VAL A 86 10.923 -17.596 9.989 1.00 18.17 C ATOM 457 CG2 VAL A 86 8.741 -16.457 10.550 1.00 17.44 C ATOM 0 H VAL A 86 10.172 -14.550 8.985 1.00 17.99 H new ATOM 0 HA VAL A 86 10.067 -16.792 7.492 1.00 19.59 H new ATOM 0 HB VAL A 86 9.049 -18.003 9.245 1.00 18.38 H new ATOM 0 HG11 VAL A 86 10.829 -18.154 10.777 1.00 18.17 H new ATOM 0 HG12 VAL A 86 11.391 -18.090 9.298 1.00 18.17 H new ATOM 0 HG13 VAL A 86 11.428 -16.800 10.216 1.00 18.17 H new ATOM 0 HG21 VAL A 86 8.665 -17.019 11.337 1.00 17.44 H new ATOM 0 HG22 VAL A 86 9.201 -15.635 10.783 1.00 17.44 H new ATOM 0 HG23 VAL A 86 7.855 -16.248 10.216 1.00 17.44 H new ATOM 458 N ASP A 87 7.466 -16.816 7.316 1.00 21.00 N ATOM 459 CA ASP A 87 6.082 -16.523 6.979 1.00 23.15 C ATOM 460 C ASP A 87 5.376 -16.565 8.329 1.00 22.18 C ATOM 461 O ASP A 87 5.417 -17.573 9.022 1.00 24.43 O ATOM 462 CB ASP A 87 5.494 -17.589 6.056 1.00 23.04 C ATOM 463 CG ASP A 87 4.014 -17.385 5.813 1.00 24.56 C ATOM 464 OD1 ASP A 87 3.641 -17.067 4.672 1.00 29.72 O ATOM 465 OD2 ASP A 87 3.221 -17.528 6.767 1.00 25.67 O ATOM 0 H ASP A 87 7.718 -17.622 7.155 1.00 21.00 H new ATOM 0 HA ASP A 87 5.988 -15.679 6.511 1.00 23.15 H new ATOM 0 HB2 ASP A 87 5.964 -17.574 5.208 1.00 23.04 H new ATOM 0 HB3 ASP A 87 5.638 -18.466 6.445 1.00 23.04 H new ATOM 466 N THR A 88 4.745 -15.462 8.704 1.00 23.68 N ATOM 467 CA THR A 88 4.055 -15.363 9.986 1.00 24.61 C ATOM 468 C THR A 88 3.053 -16.490 10.216 1.00 27.47 C ATOM 469 O THR A 88 2.909 -16.983 11.333 1.00 28.33 O ATOM 470 CB THR A 88 3.310 -14.009 10.091 1.00 21.55 C ATOM 471 OG1 THR A 88 4.254 -12.941 9.966 1.00 19.54 O ATOM 472 CG2 THR A 88 2.584 -13.883 11.415 1.00 16.69 C ATOM 0 H THR A 88 4.703 -14.749 8.225 1.00 23.68 H new ATOM 0 HA THR A 88 4.742 -15.433 10.668 1.00 24.61 H new ATOM 0 HB THR A 88 2.654 -13.965 9.378 1.00 21.55 H new ATOM 0 HG1 THR A 88 3.869 -12.261 9.657 1.00 19.54 H new ATOM 0 HG21 THR A 88 2.127 -13.028 11.454 1.00 16.69 H new ATOM 0 HG22 THR A 88 1.936 -14.600 11.498 1.00 16.69 H new ATOM 0 HG23 THR A 88 3.224 -13.941 12.142 1.00 16.69 H new ATOM 473 N LYS A 89 2.374 -16.896 9.151 1.00 31.30 N ATOM 474 CA LYS A 89 1.350 -17.938 9.218 1.00 36.62 C ATOM 475 C LYS A 89 1.899 -19.360 9.364 1.00 36.94 C ATOM 476 O LYS A 89 1.467 -20.109 10.232 1.00 38.01 O ATOM 477 CB LYS A 89 0.466 -17.848 7.963 1.00 38.41 C ATOM 478 CG LYS A 89 -0.812 -18.689 7.997 1.00 43.96 C ATOM 479 CD LYS A 89 -1.582 -18.581 6.672 1.00 44.92 C ATOM 480 CE LYS A 89 -1.930 -17.128 6.330 1.00 48.35 C ATOM 481 NZ LYS A 89 -2.510 -16.963 4.956 1.00 50.03 N ATOM 0 H LYS A 89 2.493 -16.574 8.362 1.00 31.30 H new ATOM 0 HA LYS A 89 0.840 -17.772 10.026 1.00 36.62 H new ATOM 0 HB2 LYS A 89 0.220 -16.920 7.825 1.00 38.41 H new ATOM 0 HB3 LYS A 89 0.993 -18.119 7.195 1.00 38.41 H new ATOM 0 HG2 LYS A 89 -0.587 -19.617 8.169 1.00 43.96 H new ATOM 0 HG3 LYS A 89 -1.377 -18.394 8.728 1.00 43.96 H new ATOM 0 HD2 LYS A 89 -1.049 -18.963 5.957 1.00 44.92 H new ATOM 0 HD3 LYS A 89 -2.397 -19.104 6.728 1.00 44.92 H new ATOM 0 HE2 LYS A 89 -2.563 -16.791 6.984 1.00 48.35 H new ATOM 0 HE3 LYS A 89 -1.130 -16.585 6.404 1.00 48.35 H new ATOM 0 HZ1 LYS A 89 -2.692 -16.104 4.812 1.00 50.03 H new ATOM 0 HZ2 LYS A 89 -1.924 -17.247 4.350 1.00 50.03 H new ATOM 0 HZ3 LYS A 89 -3.259 -17.440 4.890 1.00 50.03 H new ATOM 482 N THR A 90 2.860 -19.724 8.524 1.00 38.09 N ATOM 483 CA THR A 90 3.415 -21.072 8.555 1.00 38.58 C ATOM 484 C THR A 90 4.692 -21.249 9.369 1.00 39.09 C ATOM 485 O THR A 90 4.899 -22.291 9.996 1.00 39.92 O ATOM 486 CB THR A 90 3.684 -21.554 7.138 1.00 38.37 C ATOM 487 OG1 THR A 90 4.748 -20.785 6.565 1.00 39.32 O ATOM 488 CG2 THR A 90 2.430 -21.379 6.291 1.00 39.39 C ATOM 0 H THR A 90 3.205 -19.207 7.929 1.00 38.09 H new ATOM 0 HA THR A 90 2.736 -21.599 9.004 1.00 38.58 H new ATOM 0 HB THR A 90 3.933 -22.491 7.161 1.00 38.37 H new ATOM 0 HG1 THR A 90 4.532 -20.541 5.791 1.00 39.32 H new ATOM 0 HG21 THR A 90 2.604 -21.687 5.388 1.00 39.39 H new ATOM 0 HG22 THR A 90 1.705 -21.897 6.675 1.00 39.39 H new ATOM 0 HG23 THR A 90 2.181 -20.442 6.270 1.00 39.39 H new ATOM 489 N GLY A 91 5.546 -20.234 9.359 1.00 37.89 N ATOM 490 CA GLY A 91 6.797 -20.322 10.086 1.00 35.09 C ATOM 491 C GLY A 91 7.909 -20.656 9.113 1.00 33.10 C ATOM 492 O GLY A 91 9.086 -20.669 9.466 1.00 32.45 O ATOM 0 H GLY A 91 5.420 -19.493 8.941 1.00 37.89 H new ATOM 0 HA2 GLY A 91 6.984 -19.482 10.534 1.00 35.09 H new ATOM 0 HA3 GLY A 91 6.738 -21.003 10.774 1.00 35.09 H new ATOM 493 N GLU A 92 7.535 -20.929 7.871 1.00 30.96 N ATOM 494 CA GLU A 92 8.531 -21.252 6.866 1.00 31.58 C ATOM 495 C GLU A 92 9.609 -20.168 6.872 1.00 30.65 C ATOM 496 O GLU A 92 9.296 -18.976 6.865 1.00 28.95 O ATOM 497 CB GLU A 92 7.896 -21.317 5.480 1.00 32.10 C ATOM 498 CG GLU A 92 8.823 -21.907 4.440 1.00 36.09 C ATOM 499 CD GLU A 92 8.438 -21.522 3.031 1.00 39.69 C ATOM 500 OE1 GLU A 92 7.267 -21.129 2.816 1.00 40.13 O ATOM 501 OE2 GLU A 92 9.309 -21.618 2.136 1.00 41.18 O ATOM 0 H GLU A 92 6.721 -20.933 7.594 1.00 30.96 H new ATOM 0 HA GLU A 92 8.918 -22.117 7.072 1.00 31.58 H new ATOM 0 HB2 GLU A 92 7.086 -21.848 5.524 1.00 32.10 H new ATOM 0 HB3 GLU A 92 7.635 -20.424 5.206 1.00 32.10 H new ATOM 0 HG2 GLU A 92 9.730 -21.612 4.616 1.00 36.09 H new ATOM 0 HG3 GLU A 92 8.819 -22.874 4.520 1.00 36.09 H new ATOM 502 N VAL A 93 10.872 -20.577 6.901 1.00 28.10 N ATOM 503 CA VAL A 93 11.965 -19.618 6.896 1.00 27.54 C ATOM 504 C VAL A 93 12.173 -19.160 5.458 1.00 27.35 C ATOM 505 O VAL A 93 12.456 -19.973 4.581 1.00 27.55 O ATOM 506 CB VAL A 93 13.266 -20.251 7.433 1.00 27.65 C ATOM 507 CG1 VAL A 93 14.411 -19.251 7.339 1.00 27.35 C ATOM 508 CG2 VAL A 93 13.070 -20.687 8.871 1.00 26.84 C ATOM 0 H VAL A 93 11.115 -21.402 6.924 1.00 28.10 H new ATOM 0 HA VAL A 93 11.743 -18.870 7.472 1.00 27.54 H new ATOM 0 HB VAL A 93 13.486 -21.028 6.895 1.00 27.65 H new ATOM 0 HG11 VAL A 93 15.224 -19.657 7.678 1.00 27.35 H new ATOM 0 HG12 VAL A 93 14.541 -18.994 6.413 1.00 27.35 H new ATOM 0 HG13 VAL A 93 14.198 -18.465 7.866 1.00 27.35 H new ATOM 0 HG21 VAL A 93 13.890 -21.084 9.204 1.00 26.84 H new ATOM 0 HG22 VAL A 93 12.840 -19.917 9.414 1.00 26.84 H new ATOM 0 HG23 VAL A 93 12.354 -21.340 8.917 1.00 26.84 H new ATOM 509 N LEU A 94 12.022 -17.863 5.217 1.00 25.36 N ATOM 510 CA LEU A 94 12.180 -17.316 3.871 1.00 24.98 C ATOM 511 C LEU A 94 13.603 -16.815 3.611 1.00 24.33 C ATOM 512 O LEU A 94 14.042 -16.727 2.464 1.00 23.42 O ATOM 513 CB LEU A 94 11.161 -16.197 3.645 1.00 26.60 C ATOM 514 CG LEU A 94 9.693 -16.605 3.425 1.00 30.09 C ATOM 515 CD1 LEU A 94 9.285 -17.722 4.350 1.00 29.08 C ATOM 516 CD2 LEU A 94 8.800 -15.389 3.650 1.00 30.75 C ATOM 0 H LEU A 94 11.828 -17.280 5.819 1.00 25.36 H new ATOM 0 HA LEU A 94 12.017 -18.033 3.239 1.00 24.98 H new ATOM 0 HB2 LEU A 94 11.195 -15.603 4.411 1.00 26.60 H new ATOM 0 HB3 LEU A 94 11.447 -15.683 2.874 1.00 26.60 H new ATOM 0 HG LEU A 94 9.595 -16.928 2.515 1.00 30.09 H new ATOM 0 HD11 LEU A 94 8.358 -17.955 4.187 1.00 29.08 H new ATOM 0 HD12 LEU A 94 9.846 -18.497 4.189 1.00 29.08 H new ATOM 0 HD13 LEU A 94 9.388 -17.434 5.271 1.00 29.08 H new ATOM 0 HD21 LEU A 94 7.873 -15.638 3.513 1.00 30.75 H new ATOM 0 HD22 LEU A 94 8.917 -15.065 4.557 1.00 30.75 H new ATOM 0 HD23 LEU A 94 9.042 -14.689 3.023 1.00 30.75 H new ATOM 517 N PHE A 95 14.314 -16.471 4.676 1.00 23.44 N ATOM 518 CA PHE A 95 15.696 -16.036 4.550 1.00 22.70 C ATOM 519 C PHE A 95 16.378 -16.045 5.901 1.00 24.91 C ATOM 520 O PHE A 95 15.743 -15.869 6.934 1.00 25.11 O ATOM 521 CB PHE A 95 15.809 -14.655 3.873 1.00 19.31 C ATOM 522 CG PHE A 95 15.227 -13.512 4.663 1.00 18.32 C ATOM 523 CD1 PHE A 95 15.895 -12.993 5.774 1.00 15.95 C ATOM 524 CD2 PHE A 95 14.033 -12.914 4.256 1.00 16.41 C ATOM 525 CE1 PHE A 95 15.388 -11.894 6.467 1.00 14.25 C ATOM 526 CE2 PHE A 95 13.508 -11.808 4.944 1.00 19.62 C ATOM 527 CZ PHE A 95 14.189 -11.295 6.053 1.00 16.94 C ATOM 0 H PHE A 95 14.014 -16.483 5.482 1.00 23.44 H new ATOM 0 HA PHE A 95 16.152 -16.668 3.972 1.00 22.70 H new ATOM 0 HB2 PHE A 95 16.745 -14.469 3.702 1.00 19.31 H new ATOM 0 HB3 PHE A 95 15.365 -14.694 3.011 1.00 19.31 H new ATOM 0 HD1 PHE A 95 16.689 -13.386 6.056 1.00 15.95 H new ATOM 0 HD2 PHE A 95 13.579 -13.253 3.519 1.00 16.41 H new ATOM 0 HE1 PHE A 95 15.845 -11.558 7.204 1.00 14.25 H new ATOM 0 HE2 PHE A 95 12.711 -11.418 4.664 1.00 19.62 H new ATOM 0 HZ PHE A 95 13.849 -10.562 6.513 1.00 16.94 H new ATOM 528 N GLU A 96 17.680 -16.288 5.883 1.00 26.79 N ATOM 529 CA GLU A 96 18.457 -16.342 7.103 1.00 30.37 C ATOM 530 C GLU A 96 19.848 -15.835 6.787 1.00 30.55 C ATOM 531 O GLU A 96 20.489 -16.290 5.834 1.00 31.47 O ATOM 532 CB GLU A 96 18.509 -17.778 7.629 1.00 32.31 C ATOM 533 CG GLU A 96 19.153 -17.902 8.997 1.00 39.27 C ATOM 534 CD GLU A 96 18.952 -19.268 9.617 1.00 42.46 C ATOM 535 OE1 GLU A 96 19.278 -20.279 8.957 1.00 46.31 O ATOM 536 OE2 GLU A 96 18.473 -19.331 10.768 1.00 42.26 O ATOM 0 H GLU A 96 18.134 -16.425 5.165 1.00 26.79 H new ATOM 0 HA GLU A 96 18.052 -15.791 7.791 1.00 30.37 H new ATOM 0 HB2 GLU A 96 17.607 -18.131 7.672 1.00 32.31 H new ATOM 0 HB3 GLU A 96 19.000 -18.328 6.998 1.00 32.31 H new ATOM 0 HG2 GLU A 96 20.103 -17.723 8.920 1.00 39.27 H new ATOM 0 HG3 GLU A 96 18.784 -17.226 9.587 1.00 39.27 H new ATOM 537 N ARG A 97 20.294 -14.868 7.578 1.00 29.72 N ATOM 538 CA ARG A 97 21.602 -14.261 7.395 1.00 29.79 C ATOM 539 C ARG A 97 22.720 -15.030 8.096 1.00 29.87 C ATOM 540 O ARG A 97 22.562 -15.506 9.220 1.00 29.60 O ATOM 541 CB ARG A 97 21.573 -12.821 7.908 1.00 29.39 C ATOM 542 CG ARG A 97 22.941 -12.196 8.115 1.00 31.71 C ATOM 543 CD ARG A 97 23.657 -11.940 6.809 1.00 32.41 C ATOM 544 NE ARG A 97 25.100 -11.844 7.009 1.00 34.27 N ATOM 545 CZ ARG A 97 25.946 -11.334 6.121 1.00 33.72 C ATOM 546 NH1 ARG A 97 25.495 -10.861 4.964 1.00 33.08 N ATOM 547 NH2 ARG A 97 27.245 -11.308 6.385 1.00 33.51 N ATOM 0 H ARG A 97 19.845 -14.545 8.237 1.00 29.72 H new ATOM 0 HA ARG A 97 21.795 -14.282 6.445 1.00 29.79 H new ATOM 0 HB2 ARG A 97 21.073 -12.276 7.280 1.00 29.39 H new ATOM 0 HB3 ARG A 97 21.090 -12.799 8.749 1.00 29.39 H new ATOM 0 HG2 ARG A 97 22.843 -11.360 8.597 1.00 31.71 H new ATOM 0 HG3 ARG A 97 23.481 -12.781 8.669 1.00 31.71 H new ATOM 0 HD2 ARG A 97 23.461 -12.656 6.184 1.00 32.41 H new ATOM 0 HD3 ARG A 97 23.327 -11.119 6.412 1.00 32.41 H new ATOM 0 HE ARG A 97 25.423 -12.137 7.750 1.00 34.27 H new ATOM 0 HH11 ARG A 97 24.653 -10.885 4.789 1.00 33.08 H new ATOM 0 HH12 ARG A 97 26.045 -10.531 4.391 1.00 33.08 H new ATOM 0 HH21 ARG A 97 27.539 -11.621 7.130 1.00 33.51 H new ATOM 0 HH22 ARG A 97 27.794 -10.978 5.811 1.00 33.51 H new ATOM 548 N GLU A 98 23.850 -15.137 7.409 1.00 28.81 N ATOM 549 CA GLU A 98 25.033 -15.808 7.930 1.00 29.22 C ATOM 550 C GLU A 98 25.432 -15.089 9.208 1.00 26.45 C ATOM 551 O GLU A 98 25.412 -13.865 9.260 1.00 24.95 O ATOM 552 CB GLU A 98 26.158 -15.686 6.911 1.00 30.10 C ATOM 553 CG GLU A 98 27.385 -16.504 7.200 1.00 34.41 C ATOM 554 CD GLU A 98 28.449 -16.276 6.144 1.00 36.54 C ATOM 555 OE1 GLU A 98 29.174 -15.264 6.236 1.00 36.78 O ATOM 556 OE2 GLU A 98 28.536 -17.098 5.208 1.00 37.38 O ATOM 0 H GLU A 98 23.953 -14.818 6.617 1.00 28.81 H new ATOM 0 HA GLU A 98 24.858 -16.746 8.102 1.00 29.22 H new ATOM 0 HB2 GLU A 98 25.815 -15.943 6.041 1.00 30.10 H new ATOM 0 HB3 GLU A 98 26.417 -14.753 6.849 1.00 30.10 H new ATOM 0 HG2 GLU A 98 27.736 -16.270 8.074 1.00 34.41 H new ATOM 0 HG3 GLU A 98 27.151 -17.445 7.231 1.00 34.41 H new ATOM 557 N PRO A 99 25.810 -15.833 10.254 1.00 26.59 N ATOM 558 CA PRO A 99 26.194 -15.152 11.496 1.00 27.85 C ATOM 559 C PRO A 99 27.324 -14.133 11.312 1.00 29.11 C ATOM 560 O PRO A 99 28.260 -14.357 10.545 1.00 28.86 O ATOM 561 CB PRO A 99 26.594 -16.305 12.413 1.00 27.53 C ATOM 562 CG PRO A 99 25.709 -17.438 11.926 1.00 28.25 C ATOM 563 CD PRO A 99 25.819 -17.296 10.427 1.00 27.99 C ATOM 0 HA PRO A 99 25.473 -14.610 11.853 1.00 27.85 H new ATOM 0 HB2 PRO A 99 27.536 -16.522 12.330 1.00 27.53 H new ATOM 0 HB3 PRO A 99 26.432 -16.096 13.346 1.00 27.53 H new ATOM 0 HG2 PRO A 99 26.023 -18.303 12.233 1.00 28.25 H new ATOM 0 HG3 PRO A 99 24.794 -17.343 12.234 1.00 28.25 H new ATOM 0 HD2 PRO A 99 26.633 -17.697 10.083 1.00 27.99 H new ATOM 0 HD3 PRO A 99 25.078 -17.720 9.967 1.00 27.99 H new ATOM 564 N ILE A 100 27.209 -13.005 12.006 1.00 28.76 N ATOM 565 CA ILE A 100 28.215 -11.955 11.960 1.00 28.58 C ATOM 566 C ILE A 100 28.966 -12.051 13.285 1.00 28.88 C ATOM 567 O ILE A 100 28.343 -12.104 14.349 1.00 27.12 O ATOM 568 CB ILE A 100 27.569 -10.558 11.839 1.00 30.64 C ATOM 569 CG1 ILE A 100 26.858 -10.420 10.488 1.00 32.27 C ATOM 570 CG2 ILE A 100 28.629 -9.478 11.968 1.00 31.27 C ATOM 571 CD1 ILE A 100 25.556 -11.175 10.391 1.00 33.32 C ATOM 0 H ILE A 100 26.541 -12.828 12.519 1.00 28.76 H new ATOM 0 HA ILE A 100 28.794 -12.068 11.190 1.00 28.58 H new ATOM 0 HB ILE A 100 26.920 -10.455 12.553 1.00 30.64 H new ATOM 0 HG12 ILE A 100 26.688 -9.480 10.319 1.00 32.27 H new ATOM 0 HG13 ILE A 100 27.453 -10.731 9.788 1.00 32.27 H new ATOM 0 HG21 ILE A 100 28.213 -8.605 11.891 1.00 31.27 H new ATOM 0 HG22 ILE A 100 29.064 -9.553 12.832 1.00 31.27 H new ATOM 0 HG23 ILE A 100 29.288 -9.585 11.264 1.00 31.27 H new ATOM 0 HD11 ILE A 100 25.168 -11.040 9.512 1.00 33.32 H new ATOM 0 HD12 ILE A 100 25.719 -12.121 10.530 1.00 33.32 H new ATOM 0 HD13 ILE A 100 24.942 -10.850 11.068 1.00 33.32 H new ATOM 572 N PRO A 101 30.312 -12.071 13.241 1.00 28.37 N ATOM 573 CA PRO A 101 31.153 -12.170 14.441 1.00 28.03 C ATOM 574 C PRO A 101 30.708 -11.306 15.613 1.00 26.27 C ATOM 575 O PRO A 101 30.488 -11.819 16.706 1.00 26.81 O ATOM 576 CB PRO A 101 32.540 -11.792 13.923 1.00 29.91 C ATOM 577 CG PRO A 101 32.514 -12.350 12.524 1.00 29.39 C ATOM 578 CD PRO A 101 31.146 -11.900 12.037 1.00 28.66 C ATOM 0 HA PRO A 101 31.110 -13.058 14.830 1.00 28.03 H new ATOM 0 HB2 PRO A 101 32.681 -10.832 13.929 1.00 29.91 H new ATOM 0 HB3 PRO A 101 33.247 -12.185 14.458 1.00 29.91 H new ATOM 0 HG2 PRO A 101 33.231 -11.993 11.976 1.00 29.39 H new ATOM 0 HG3 PRO A 101 32.604 -13.316 12.515 1.00 29.39 H new ATOM 0 HD2 PRO A 101 31.156 -10.980 11.731 1.00 28.66 H new ATOM 0 HD3 PRO A 101 30.829 -12.442 11.297 1.00 28.66 H new ATOM 579 N ILE A 102 30.586 -10.000 15.404 1.00 25.93 N ATOM 580 CA ILE A 102 30.141 -9.136 16.492 1.00 26.28 C ATOM 581 C ILE A 102 29.188 -8.020 16.045 1.00 26.21 C ATOM 582 O ILE A 102 29.428 -7.322 15.056 1.00 26.45 O ATOM 583 CB ILE A 102 31.365 -8.543 17.295 1.00 27.36 C ATOM 584 CG1 ILE A 102 31.425 -7.026 17.172 1.00 25.78 C ATOM 585 CG2 ILE A 102 32.664 -9.164 16.824 1.00 26.47 C ATOM 586 CD1 ILE A 102 30.474 -6.311 18.081 1.00 26.76 C ATOM 0 H ILE A 102 30.751 -9.601 14.660 1.00 25.93 H new ATOM 0 HA ILE A 102 29.627 -9.708 17.084 1.00 26.28 H new ATOM 0 HB ILE A 102 31.238 -8.762 18.231 1.00 27.36 H new ATOM 0 HG12 ILE A 102 32.328 -6.729 17.364 1.00 25.78 H new ATOM 0 HG13 ILE A 102 31.233 -6.776 16.255 1.00 25.78 H new ATOM 0 HG21 ILE A 102 33.403 -8.789 17.327 1.00 26.47 H new ATOM 0 HG22 ILE A 102 32.633 -10.124 16.963 1.00 26.47 H new ATOM 0 HG23 ILE A 102 32.788 -8.978 15.880 1.00 26.47 H new ATOM 0 HD11 ILE A 102 30.562 -5.353 17.954 1.00 26.76 H new ATOM 0 HD12 ILE A 102 29.565 -6.582 17.876 1.00 26.76 H new ATOM 0 HD13 ILE A 102 30.678 -6.534 19.003 1.00 26.76 H new ATOM 587 N GLY A 103 28.096 -7.872 16.789 1.00 23.49 N ATOM 588 CA GLY A 103 27.114 -6.852 16.488 1.00 23.17 C ATOM 589 C GLY A 103 26.164 -6.711 17.659 1.00 21.81 C ATOM 590 O GLY A 103 26.246 -7.492 18.606 1.00 24.16 O ATOM 0 H GLY A 103 27.910 -8.357 17.474 1.00 23.49 H new ATOM 0 HA2 GLY A 103 27.555 -6.006 16.312 1.00 23.17 H new ATOM 0 HA3 GLY A 103 26.622 -7.088 15.686 1.00 23.17 H new ATOM 591 N THR A 104 25.274 -5.727 17.617 1.00 18.95 N ATOM 592 CA THR A 104 24.335 -5.553 18.713 1.00 19.12 C ATOM 593 C THR A 104 22.989 -6.148 18.336 1.00 19.48 C ATOM 594 O THR A 104 22.703 -6.405 17.161 1.00 18.93 O ATOM 595 CB THR A 104 24.114 -4.064 19.075 1.00 19.92 C ATOM 596 OG1 THR A 104 23.382 -3.411 18.026 1.00 19.28 O ATOM 597 CG2 THR A 104 25.440 -3.361 19.269 1.00 18.08 C ATOM 0 H THR A 104 25.198 -5.160 16.975 1.00 18.95 H new ATOM 0 HA THR A 104 24.718 -6.004 19.482 1.00 19.12 H new ATOM 0 HB THR A 104 23.610 -4.022 19.903 1.00 19.92 H new ATOM 0 HG1 THR A 104 23.224 -2.616 18.247 1.00 19.28 H new ATOM 0 HG21 THR A 104 25.283 -2.431 19.495 1.00 18.08 H new ATOM 0 HG22 THR A 104 25.932 -3.789 19.987 1.00 18.08 H new ATOM 0 HG23 THR A 104 25.956 -3.412 18.449 1.00 18.08 H new ATOM 598 N ASN A 105 22.167 -6.368 19.349 1.00 18.19 N ATOM 599 CA ASN A 105 20.839 -6.909 19.148 1.00 19.43 C ATOM 600 C ASN A 105 20.079 -5.995 18.190 1.00 18.50 C ATOM 601 O ASN A 105 19.532 -6.450 17.181 1.00 18.66 O ATOM 602 CB ASN A 105 20.109 -6.994 20.497 1.00 16.49 C ATOM 603 CG ASN A 105 19.927 -5.634 21.154 1.00 18.99 C ATOM 604 OD1 ASN A 105 20.780 -4.749 21.039 1.00 16.26 O ATOM 605 ND2 ASN A 105 18.814 -5.467 21.868 1.00 17.22 N ATOM 0 H ASN A 105 22.364 -6.208 20.171 1.00 18.19 H new ATOM 0 HA ASN A 105 20.893 -7.800 18.769 1.00 19.43 H new ATOM 0 HB2 ASN A 105 19.240 -7.404 20.365 1.00 16.49 H new ATOM 0 HB3 ASN A 105 20.608 -7.573 21.094 1.00 16.49 H new ATOM 0 HD21 ASN A 105 18.669 -4.721 22.270 1.00 17.22 H new ATOM 0 HD22 ASN A 105 18.241 -6.105 21.927 1.00 17.22 H new ATOM 606 N ASN A 106 20.069 -4.702 18.508 1.00 17.92 N ATOM 607 CA ASN A 106 19.367 -3.705 17.713 1.00 15.98 C ATOM 608 C ASN A 106 19.847 -3.570 16.262 1.00 16.77 C ATOM 609 O ASN A 106 19.037 -3.341 15.360 1.00 14.84 O ATOM 610 CB ASN A 106 19.415 -2.358 18.429 1.00 16.48 C ATOM 611 CG ASN A 106 18.685 -2.389 19.757 1.00 17.32 C ATOM 612 OD1 ASN A 106 17.615 -2.995 19.871 1.00 17.49 O ATOM 613 ND2 ASN A 106 19.245 -1.727 20.765 1.00 17.32 N ATOM 0 H ASN A 106 20.473 -4.380 19.196 1.00 17.92 H new ATOM 0 HA ASN A 106 18.453 -4.021 17.636 1.00 15.98 H new ATOM 0 HB2 ASN A 106 20.340 -2.104 18.576 1.00 16.48 H new ATOM 0 HB3 ASN A 106 19.021 -1.677 17.861 1.00 16.48 H new ATOM 0 HD21 ASN A 106 18.861 -1.709 21.534 1.00 17.32 H new ATOM 0 HD22 ASN A 106 19.992 -1.316 20.648 1.00 17.32 H new ATOM 614 N MET A 107 21.151 -3.699 16.031 1.00 16.60 N ATOM 615 CA MET A 107 21.658 -3.631 14.664 1.00 16.89 C ATOM 616 C MET A 107 21.103 -4.850 13.931 1.00 14.72 C ATOM 617 O MET A 107 20.778 -4.783 12.749 1.00 15.72 O ATOM 618 CB MET A 107 23.188 -3.693 14.631 1.00 16.41 C ATOM 619 CG MET A 107 23.905 -2.464 15.163 1.00 20.98 C ATOM 620 SD MET A 107 25.681 -2.778 15.180 1.00 24.77 S ATOM 621 CE MET A 107 26.221 -1.902 13.738 1.00 26.00 C ATOM 0 H MET A 107 21.748 -3.824 16.638 1.00 16.60 H new ATOM 0 HA MET A 107 21.386 -2.795 14.253 1.00 16.89 H new ATOM 0 HB2 MET A 107 23.476 -4.464 15.145 1.00 16.41 H new ATOM 0 HB3 MET A 107 23.470 -3.841 13.715 1.00 16.41 H new ATOM 0 HG2 MET A 107 23.707 -1.694 14.607 1.00 20.98 H new ATOM 0 HG3 MET A 107 23.593 -2.256 16.058 1.00 20.98 H new ATOM 0 HE1 MET A 107 27.150 -1.644 13.845 1.00 26.00 H new ATOM 0 HE2 MET A 107 26.132 -2.474 12.959 1.00 26.00 H new ATOM 0 HE3 MET A 107 25.677 -1.108 13.619 1.00 26.00 H new ATOM 622 N GLY A 108 21.006 -5.965 14.641 1.00 14.45 N ATOM 623 CA GLY A 108 20.483 -7.176 14.038 1.00 16.47 C ATOM 624 C GLY A 108 19.004 -7.031 13.717 1.00 16.77 C ATOM 625 O GLY A 108 18.547 -7.431 12.638 1.00 16.28 O ATOM 0 H GLY A 108 21.236 -6.040 15.466 1.00 14.45 H new ATOM 0 HA2 GLY A 108 20.975 -7.376 13.226 1.00 16.47 H new ATOM 0 HA3 GLY A 108 20.615 -7.924 14.641 1.00 16.47 H new ATOM 626 N GLU A 109 18.255 -6.462 14.657 1.00 14.89 N ATOM 627 CA GLU A 109 16.816 -6.261 14.473 1.00 16.15 C ATOM 628 C GLU A 109 16.602 -5.346 13.274 1.00 14.37 C ATOM 629 O GLU A 109 15.711 -5.569 12.454 1.00 14.06 O ATOM 630 CB GLU A 109 16.202 -5.623 15.728 1.00 14.83 C ATOM 631 CG GLU A 109 16.303 -6.484 16.986 1.00 17.90 C ATOM 632 CD GLU A 109 15.126 -7.447 17.175 1.00 20.29 C ATOM 633 OE1 GLU A 109 14.490 -7.856 16.170 1.00 18.48 O ATOM 634 OE2 GLU A 109 14.848 -7.807 18.343 1.00 20.45 O ATOM 0 H GLU A 109 18.560 -6.184 15.412 1.00 14.89 H new ATOM 0 HA GLU A 109 16.385 -7.117 14.321 1.00 16.15 H new ATOM 0 HB2 GLU A 109 16.641 -4.774 15.894 1.00 14.83 H new ATOM 0 HB3 GLU A 109 15.267 -5.430 15.555 1.00 14.83 H new ATOM 0 HG2 GLU A 109 17.126 -6.996 16.952 1.00 17.90 H new ATOM 0 HG3 GLU A 109 16.362 -5.903 17.761 1.00 17.90 H new ATOM 635 N PHE A 110 17.444 -4.320 13.179 1.00 14.67 N ATOM 636 CA PHE A 110 17.380 -3.341 12.096 1.00 11.70 C ATOM 637 C PHE A 110 17.636 -3.944 10.717 1.00 11.35 C ATOM 638 O PHE A 110 16.880 -3.707 9.771 1.00 10.58 O ATOM 639 CB PHE A 110 18.410 -2.244 12.343 1.00 13.47 C ATOM 640 CG PHE A 110 18.556 -1.285 11.197 1.00 12.23 C ATOM 641 CD1 PHE A 110 17.596 -0.296 10.975 1.00 13.90 C ATOM 642 CD2 PHE A 110 19.638 -1.380 10.333 1.00 11.55 C ATOM 643 CE1 PHE A 110 17.711 0.590 9.911 1.00 14.64 C ATOM 644 CE2 PHE A 110 19.770 -0.493 9.256 1.00 14.01 C ATOM 645 CZ PHE A 110 18.802 0.492 9.045 1.00 13.90 C ATOM 0 H PHE A 110 18.074 -4.171 13.746 1.00 14.67 H new ATOM 0 HA PHE A 110 16.476 -2.989 12.096 1.00 11.70 H new ATOM 0 HB2 PHE A 110 18.159 -1.749 13.139 1.00 13.47 H new ATOM 0 HB3 PHE A 110 19.271 -2.654 12.523 1.00 13.47 H new ATOM 0 HD1 PHE A 110 16.867 -0.229 11.549 1.00 13.90 H new ATOM 0 HD2 PHE A 110 20.281 -2.038 10.470 1.00 11.55 H new ATOM 0 HE1 PHE A 110 17.065 1.245 9.776 1.00 14.64 H new ATOM 0 HE2 PHE A 110 20.500 -0.560 8.683 1.00 14.01 H new ATOM 0 HZ PHE A 110 18.884 1.081 8.330 1.00 13.90 H new ATOM 646 N LEU A 111 18.720 -4.709 10.614 1.00 10.04 N ATOM 647 CA LEU A 111 19.114 -5.352 9.362 1.00 13.96 C ATOM 648 C LEU A 111 18.044 -6.331 8.885 1.00 14.51 C ATOM 649 O LEU A 111 17.829 -6.512 7.687 1.00 13.66 O ATOM 650 CB LEU A 111 20.438 -6.112 9.560 1.00 14.12 C ATOM 651 CG LEU A 111 21.671 -5.255 9.865 1.00 16.83 C ATOM 652 CD1 LEU A 111 22.895 -6.139 10.104 1.00 16.12 C ATOM 653 CD2 LEU A 111 21.915 -4.307 8.693 1.00 15.81 C ATOM 0 H LEU A 111 19.250 -4.871 11.271 1.00 10.04 H new ATOM 0 HA LEU A 111 19.224 -4.660 8.692 1.00 13.96 H new ATOM 0 HB2 LEU A 111 20.320 -6.746 10.285 1.00 14.12 H new ATOM 0 HB3 LEU A 111 20.616 -6.628 8.758 1.00 14.12 H new ATOM 0 HG LEU A 111 21.516 -4.740 10.672 1.00 16.83 H new ATOM 0 HD11 LEU A 111 23.665 -5.581 10.295 1.00 16.12 H new ATOM 0 HD12 LEU A 111 22.727 -6.727 10.857 1.00 16.12 H new ATOM 0 HD13 LEU A 111 23.070 -6.670 9.312 1.00 16.12 H new ATOM 0 HD21 LEU A 111 22.694 -3.759 8.876 1.00 15.81 H new ATOM 0 HD22 LEU A 111 22.065 -4.823 7.885 1.00 15.81 H new ATOM 0 HD23 LEU A 111 21.140 -3.736 8.572 1.00 15.81 H new ATOM 654 N ALA A 112 17.396 -6.969 9.850 1.00 14.73 N ATOM 655 CA ALA A 112 16.360 -7.936 9.580 1.00 15.08 C ATOM 656 C ALA A 112 15.183 -7.289 8.867 1.00 15.68 C ATOM 657 O ALA A 112 14.645 -7.852 7.914 1.00 15.88 O ATOM 658 CB ALA A 112 15.900 -8.565 10.885 1.00 14.48 C ATOM 0 H ALA A 112 17.551 -6.847 10.687 1.00 14.73 H new ATOM 0 HA ALA A 112 16.721 -8.623 8.999 1.00 15.08 H new ATOM 0 HB1 ALA A 112 15.203 -9.215 10.703 1.00 14.48 H new ATOM 0 HB2 ALA A 112 16.650 -9.006 11.314 1.00 14.48 H new ATOM 0 HB3 ALA A 112 15.553 -7.875 11.472 1.00 14.48 H new ATOM 659 N ILE A 113 14.768 -6.114 9.326 1.00 14.41 N ATOM 660 CA ILE A 113 13.636 -5.450 8.682 1.00 14.56 C ATOM 661 C ILE A 113 13.992 -4.977 7.265 1.00 14.32 C ATOM 662 O ILE A 113 13.250 -5.231 6.309 1.00 11.44 O ATOM 663 CB ILE A 113 13.150 -4.248 9.510 1.00 15.14 C ATOM 664 CG1 ILE A 113 12.634 -4.733 10.872 1.00 14.55 C ATOM 665 CG2 ILE A 113 12.054 -3.507 8.758 1.00 13.15 C ATOM 666 CD1 ILE A 113 12.227 -3.600 11.821 1.00 14.08 C ATOM 0 H ILE A 113 15.115 -5.692 9.990 1.00 14.41 H new ATOM 0 HA ILE A 113 12.923 -6.106 8.624 1.00 14.56 H new ATOM 0 HB ILE A 113 13.890 -3.638 9.655 1.00 15.14 H new ATOM 0 HG12 ILE A 113 11.871 -5.314 10.730 1.00 14.55 H new ATOM 0 HG13 ILE A 113 13.323 -5.268 11.297 1.00 14.55 H new ATOM 0 HG21 ILE A 113 11.753 -2.751 9.286 1.00 13.15 H new ATOM 0 HG22 ILE A 113 12.401 -3.190 7.909 1.00 13.15 H new ATOM 0 HG23 ILE A 113 11.308 -4.107 8.598 1.00 13.15 H new ATOM 0 HD11 ILE A 113 11.912 -3.976 12.658 1.00 14.08 H new ATOM 0 HD12 ILE A 113 12.993 -3.029 11.991 1.00 14.08 H new ATOM 0 HD13 ILE A 113 11.518 -3.077 11.415 1.00 14.08 H new ATOM 667 N VAL A 114 15.132 -4.303 7.138 1.00 11.65 N ATOM 668 CA VAL A 114 15.580 -3.778 5.850 1.00 13.36 C ATOM 669 C VAL A 114 15.734 -4.880 4.810 1.00 13.97 C ATOM 670 O VAL A 114 15.407 -4.695 3.637 1.00 13.94 O ATOM 671 CB VAL A 114 16.923 -3.036 5.996 1.00 11.40 C ATOM 672 CG1 VAL A 114 17.411 -2.572 4.636 1.00 13.83 C ATOM 673 CG2 VAL A 114 16.748 -1.852 6.937 1.00 8.50 C ATOM 0 H VAL A 114 15.665 -4.138 7.792 1.00 11.65 H new ATOM 0 HA VAL A 114 14.896 -3.160 5.549 1.00 13.36 H new ATOM 0 HB VAL A 114 17.587 -3.637 6.368 1.00 11.40 H new ATOM 0 HG11 VAL A 114 18.256 -2.106 4.737 1.00 13.83 H new ATOM 0 HG12 VAL A 114 17.533 -3.340 4.056 1.00 13.83 H new ATOM 0 HG13 VAL A 114 16.757 -1.972 4.244 1.00 13.83 H new ATOM 0 HG21 VAL A 114 17.593 -1.384 7.030 1.00 8.50 H new ATOM 0 HG22 VAL A 114 16.082 -1.247 6.575 1.00 8.50 H new ATOM 0 HG23 VAL A 114 16.458 -2.170 7.806 1.00 8.50 H new ATOM 674 N HIS A 115 16.236 -6.028 5.242 1.00 14.72 N ATOM 675 CA HIS A 115 16.397 -7.132 4.324 1.00 17.93 C ATOM 676 C HIS A 115 15.005 -7.641 3.943 1.00 18.16 C ATOM 677 O HIS A 115 14.754 -7.965 2.776 1.00 17.66 O ATOM 678 CB HIS A 115 17.228 -8.241 4.962 1.00 19.88 C ATOM 679 CG HIS A 115 17.681 -9.278 3.985 1.00 25.03 C ATOM 680 ND1 HIS A 115 16.863 -10.300 3.554 1.00 26.97 N ATOM 681 CD2 HIS A 115 18.853 -9.428 3.323 1.00 26.28 C ATOM 682 CE1 HIS A 115 17.513 -11.036 2.669 1.00 28.46 C ATOM 683 NE2 HIS A 115 18.722 -10.528 2.510 1.00 28.47 N ATOM 0 H HIS A 115 16.485 -6.183 6.050 1.00 14.72 H new ATOM 0 HA HIS A 115 16.868 -6.840 3.528 1.00 17.93 H new ATOM 0 HB2 HIS A 115 18.005 -7.849 5.391 1.00 19.88 H new ATOM 0 HB3 HIS A 115 16.705 -8.668 5.658 1.00 19.88 H new ATOM 0 HD2 HIS A 115 19.606 -8.888 3.404 1.00 26.28 H new ATOM 0 HE1 HIS A 115 17.176 -11.785 2.232 1.00 28.46 H new ATOM 0 HE2 HIS A 115 19.328 -10.836 1.983 1.00 28.47 H new ATOM 684 N GLY A 116 14.106 -7.706 4.926 1.00 15.18 N ATOM 685 CA GLY A 116 12.748 -8.146 4.641 1.00 15.60 C ATOM 686 C GLY A 116 12.142 -7.198 3.615 1.00 14.58 C ATOM 687 O GLY A 116 11.470 -7.606 2.678 1.00 16.82 O ATOM 0 H GLY A 116 14.261 -7.503 5.747 1.00 15.18 H new ATOM 0 HA2 GLY A 116 12.752 -9.054 4.301 1.00 15.60 H new ATOM 0 HA3 GLY A 116 12.217 -8.149 5.453 1.00 15.60 H new ATOM 688 N LEU A 117 12.409 -5.914 3.794 1.00 15.73 N ATOM 689 CA LEU A 117 11.914 -4.882 2.896 1.00 17.34 C ATOM 690 C LEU A 117 12.374 -5.153 1.458 1.00 18.99 C ATOM 691 O LEU A 117 11.591 -5.014 0.508 1.00 17.39 O ATOM 692 CB LEU A 117 12.435 -3.527 3.369 1.00 18.50 C ATOM 693 CG LEU A 117 11.514 -2.369 3.770 1.00 20.81 C ATOM 694 CD1 LEU A 117 10.130 -2.829 4.223 1.00 16.68 C ATOM 695 CD2 LEU A 117 12.231 -1.601 4.871 1.00 17.29 C ATOM 0 H LEU A 117 12.886 -5.614 4.444 1.00 15.73 H new ATOM 0 HA LEU A 117 10.944 -4.883 2.906 1.00 17.34 H new ATOM 0 HB2 LEU A 117 13.004 -3.703 4.135 1.00 18.50 H new ATOM 0 HB3 LEU A 117 13.007 -3.191 2.662 1.00 18.50 H new ATOM 0 HG LEU A 117 11.345 -1.807 2.998 1.00 20.81 H new ATOM 0 HD11 LEU A 117 9.595 -2.057 4.463 1.00 16.68 H new ATOM 0 HD12 LEU A 117 9.697 -3.311 3.501 1.00 16.68 H new ATOM 0 HD13 LEU A 117 10.219 -3.412 4.993 1.00 16.68 H new ATOM 0 HD21 LEU A 117 11.681 -0.855 5.156 1.00 17.29 H new ATOM 0 HD22 LEU A 117 12.392 -2.190 5.624 1.00 17.29 H new ATOM 0 HD23 LEU A 117 13.078 -1.268 4.535 1.00 17.29 H new ATOM 696 N ARG A 118 13.641 -5.543 1.307 1.00 17.79 N ATOM 697 CA ARG A 118 14.213 -5.837 -0.008 1.00 20.46 C ATOM 698 C ARG A 118 13.670 -7.152 -0.558 1.00 20.19 C ATOM 699 O ARG A 118 13.399 -7.279 -1.754 1.00 18.76 O ATOM 700 CB ARG A 118 15.747 -5.909 0.071 1.00 21.68 C ATOM 701 CG ARG A 118 16.391 -4.619 0.553 1.00 25.45 C ATOM 702 CD ARG A 118 17.914 -4.698 0.557 1.00 31.41 C ATOM 703 NE ARG A 118 18.480 -4.756 -0.790 1.00 35.95 N ATOM 704 CZ ARG A 118 19.783 -4.867 -1.045 1.00 38.59 C ATOM 705 NH1 ARG A 118 20.651 -4.936 -0.042 1.00 38.50 N ATOM 706 NH2 ARG A 118 20.220 -4.900 -2.298 1.00 37.72 N ATOM 0 H ARG A 118 14.190 -5.644 1.961 1.00 17.79 H new ATOM 0 HA ARG A 118 13.958 -5.118 -0.607 1.00 20.46 H new ATOM 0 HB2 ARG A 118 15.999 -6.631 0.668 1.00 21.68 H new ATOM 0 HB3 ARG A 118 16.099 -6.130 -0.806 1.00 21.68 H new ATOM 0 HG2 ARG A 118 16.109 -3.887 -0.017 1.00 25.45 H new ATOM 0 HG3 ARG A 118 16.077 -4.418 1.449 1.00 25.45 H new ATOM 0 HD2 ARG A 118 18.273 -3.926 1.022 1.00 31.41 H new ATOM 0 HD3 ARG A 118 18.192 -5.483 1.055 1.00 31.41 H new ATOM 0 HE ARG A 118 17.939 -4.716 -1.458 1.00 35.95 H new ATOM 0 HH11 ARG A 118 20.372 -4.909 0.771 1.00 38.50 H new ATOM 0 HH12 ARG A 118 21.492 -5.008 -0.206 1.00 38.50 H new ATOM 0 HH21 ARG A 118 19.661 -4.850 -2.950 1.00 37.72 H new ATOM 0 HH22 ARG A 118 21.062 -4.972 -2.458 1.00 37.72 H new ATOM 707 N TYR A 119 13.514 -8.126 0.328 1.00 17.44 N ATOM 708 CA TYR A 119 12.994 -9.419 -0.061 1.00 18.65 C ATOM 709 C TYR A 119 11.589 -9.268 -0.647 1.00 18.58 C ATOM 710 O TYR A 119 11.280 -9.858 -1.687 1.00 19.71 O ATOM 711 CB TYR A 119 12.944 -10.340 1.150 1.00 19.17 C ATOM 712 CG TYR A 119 12.321 -11.688 0.879 1.00 23.11 C ATOM 713 CD1 TYR A 119 13.092 -12.752 0.415 1.00 23.60 C ATOM 714 CD2 TYR A 119 10.965 -11.912 1.121 1.00 22.17 C ATOM 715 CE1 TYR A 119 12.533 -14.007 0.209 1.00 23.60 C ATOM 716 CE2 TYR A 119 10.396 -13.163 0.913 1.00 24.52 C ATOM 717 CZ TYR A 119 11.187 -14.204 0.460 1.00 24.54 C ATOM 718 OH TYR A 119 10.638 -15.448 0.271 1.00 27.04 O ATOM 0 H TYR A 119 13.706 -8.054 1.163 1.00 17.44 H new ATOM 0 HA TYR A 119 13.579 -9.802 -0.734 1.00 18.65 H new ATOM 0 HB2 TYR A 119 13.846 -10.473 1.480 1.00 19.17 H new ATOM 0 HB3 TYR A 119 12.445 -9.901 1.857 1.00 19.17 H new ATOM 0 HD1 TYR A 119 13.996 -12.620 0.240 1.00 23.60 H new ATOM 0 HD2 TYR A 119 10.433 -11.213 1.426 1.00 22.17 H new ATOM 0 HE1 TYR A 119 13.060 -14.710 -0.096 1.00 23.60 H new ATOM 0 HE2 TYR A 119 9.491 -13.299 1.077 1.00 24.52 H new ATOM 0 HH TYR A 119 11.228 -15.975 -0.012 1.00 27.04 H new ATOM 719 N LEU A 120 10.749 -8.476 0.016 1.00 15.37 N ATOM 720 CA LEU A 120 9.372 -8.269 -0.434 1.00 16.34 C ATOM 721 C LEU A 120 9.275 -7.465 -1.722 1.00 17.32 C ATOM 722 O LEU A 120 8.474 -7.776 -2.603 1.00 17.80 O ATOM 723 CB LEU A 120 8.551 -7.590 0.669 1.00 13.90 C ATOM 724 CG LEU A 120 8.343 -8.439 1.939 1.00 14.09 C ATOM 725 CD1 LEU A 120 7.465 -7.702 2.925 1.00 13.77 C ATOM 726 CD2 LEU A 120 7.714 -9.781 1.580 1.00 11.67 C ATOM 0 H LEU A 120 10.957 -8.047 0.732 1.00 15.37 H new ATOM 0 HA LEU A 120 9.010 -9.148 -0.625 1.00 16.34 H new ATOM 0 HB2 LEU A 120 8.990 -6.762 0.918 1.00 13.90 H new ATOM 0 HB3 LEU A 120 7.682 -7.353 0.308 1.00 13.90 H new ATOM 0 HG LEU A 120 9.208 -8.598 2.349 1.00 14.09 H new ATOM 0 HD11 LEU A 120 7.342 -8.246 3.719 1.00 13.77 H new ATOM 0 HD12 LEU A 120 7.887 -6.864 3.170 1.00 13.77 H new ATOM 0 HD13 LEU A 120 6.602 -7.523 2.519 1.00 13.77 H new ATOM 0 HD21 LEU A 120 7.588 -10.306 2.386 1.00 11.67 H new ATOM 0 HD22 LEU A 120 6.855 -9.632 1.154 1.00 11.67 H new ATOM 0 HD23 LEU A 120 8.298 -10.260 0.971 1.00 11.67 H new ATOM 727 N LYS A 121 10.098 -6.434 -1.833 1.00 19.23 N ATOM 728 CA LYS A 121 10.089 -5.599 -3.020 1.00 21.81 C ATOM 729 C LYS A 121 10.468 -6.394 -4.272 1.00 22.95 C ATOM 730 O LYS A 121 9.779 -6.332 -5.291 1.00 20.02 O ATOM 731 CB LYS A 121 11.050 -4.425 -2.842 1.00 21.89 C ATOM 732 CG LYS A 121 10.900 -3.354 -3.905 1.00 25.67 C ATOM 733 CD LYS A 121 11.901 -2.239 -3.695 1.00 25.41 C ATOM 734 CE LYS A 121 11.808 -1.194 -4.796 1.00 27.21 C ATOM 735 NZ LYS A 121 10.534 -0.430 -4.754 1.00 22.25 N ATOM 0 H LYS A 121 10.668 -6.202 -1.233 1.00 19.23 H new ATOM 0 HA LYS A 121 9.186 -5.265 -3.139 1.00 21.81 H new ATOM 0 HB2 LYS A 121 10.905 -4.027 -1.969 1.00 21.89 H new ATOM 0 HB3 LYS A 121 11.961 -4.757 -2.854 1.00 21.89 H new ATOM 0 HG2 LYS A 121 11.026 -3.745 -4.784 1.00 25.67 H new ATOM 0 HG3 LYS A 121 10.000 -2.994 -3.881 1.00 25.67 H new ATOM 0 HD2 LYS A 121 11.744 -1.819 -2.835 1.00 25.41 H new ATOM 0 HD3 LYS A 121 12.798 -2.608 -3.672 1.00 25.41 H new ATOM 0 HE2 LYS A 121 12.553 -0.578 -4.716 1.00 27.21 H new ATOM 0 HE3 LYS A 121 11.891 -1.630 -5.659 1.00 27.21 H new ATOM 0 HZ1 LYS A 121 10.518 0.157 -5.422 1.00 22.25 H new ATOM 0 HZ2 LYS A 121 9.848 -0.991 -4.836 1.00 22.25 H new ATOM 0 HZ3 LYS A 121 10.472 0.002 -3.978 1.00 22.25 H new ATOM 736 N GLU A 122 11.557 -7.151 -4.205 1.00 23.99 N ATOM 737 CA GLU A 122 11.977 -7.920 -5.370 1.00 26.38 C ATOM 738 C GLU A 122 10.993 -9.026 -5.760 1.00 26.77 C ATOM 739 O GLU A 122 11.101 -9.611 -6.835 1.00 27.06 O ATOM 740 CB GLU A 122 13.371 -8.501 -5.145 1.00 27.75 C ATOM 741 CG GLU A 122 14.456 -7.443 -5.151 1.00 30.67 C ATOM 742 CD GLU A 122 15.843 -8.019 -4.945 0.50 31.11 C ATOM 743 OE1 GLU A 122 16.109 -8.571 -3.855 0.50 31.34 O ATOM 744 OE2 GLU A 122 16.669 -7.921 -5.878 0.50 32.38 O ATOM 0 H GLU A 122 12.058 -7.233 -3.510 1.00 23.99 H new ATOM 0 HA GLU A 122 11.996 -7.300 -6.116 1.00 26.38 H new ATOM 0 HB2 GLU A 122 13.388 -8.971 -4.297 1.00 27.75 H new ATOM 0 HB3 GLU A 122 13.559 -9.156 -5.836 1.00 27.75 H new ATOM 0 HG2 GLU A 122 14.431 -6.966 -5.995 1.00 30.67 H new ATOM 0 HG3 GLU A 122 14.273 -6.795 -4.453 1.00 30.67 H new ATOM 745 N ARG A 123 10.036 -9.322 -4.890 1.00 26.62 N ATOM 746 CA ARG A 123 9.044 -10.349 -5.204 1.00 27.27 C ATOM 747 C ARG A 123 7.676 -9.713 -5.440 1.00 25.37 C ATOM 748 O ARG A 123 6.658 -10.407 -5.511 1.00 25.66 O ATOM 749 CB ARG A 123 8.963 -11.386 -4.078 1.00 28.27 C ATOM 750 CG ARG A 123 10.163 -12.319 -4.033 1.00 32.56 C ATOM 751 CD ARG A 123 10.144 -13.261 -2.837 1.00 34.66 C ATOM 752 NE ARG A 123 11.370 -14.061 -2.767 1.00 38.71 N ATOM 753 CZ ARG A 123 12.601 -13.550 -2.736 1.00 40.11 C ATOM 754 NH1 ARG A 123 12.781 -12.233 -2.769 1.00 38.27 N ATOM 755 NH2 ARG A 123 13.659 -14.353 -2.668 1.00 40.20 N ATOM 0 H ARG A 123 9.941 -8.947 -4.122 1.00 26.62 H new ATOM 0 HA ARG A 123 9.320 -10.801 -6.016 1.00 27.27 H new ATOM 0 HB2 ARG A 123 8.887 -10.926 -3.228 1.00 28.27 H new ATOM 0 HB3 ARG A 123 8.156 -11.912 -4.189 1.00 28.27 H new ATOM 0 HG2 ARG A 123 10.190 -12.842 -4.849 1.00 32.56 H new ATOM 0 HG3 ARG A 123 10.976 -11.790 -4.008 1.00 32.56 H new ATOM 0 HD2 ARG A 123 10.044 -12.747 -2.020 1.00 34.66 H new ATOM 0 HD3 ARG A 123 9.375 -13.849 -2.898 1.00 34.66 H new ATOM 0 HE ARG A 123 11.290 -14.917 -2.744 1.00 38.71 H new ATOM 0 HH11 ARG A 123 12.102 -11.707 -2.810 1.00 38.27 H new ATOM 0 HH12 ARG A 123 13.577 -11.907 -2.749 1.00 38.27 H new ATOM 0 HH21 ARG A 123 13.551 -15.206 -2.644 1.00 40.20 H new ATOM 0 HH22 ARG A 123 14.451 -14.019 -2.648 1.00 40.20 H new ATOM 756 N ASN A 124 7.666 -8.391 -5.573 1.00 22.59 N ATOM 757 CA ASN A 124 6.428 -7.646 -5.797 1.00 25.13 C ATOM 758 C ASN A 124 5.342 -8.044 -4.799 1.00 23.14 C ATOM 759 O ASN A 124 4.205 -8.319 -5.186 1.00 24.02 O ATOM 760 CB ASN A 124 5.912 -7.869 -7.228 1.00 29.57 C ATOM 761 CG ASN A 124 6.917 -7.446 -8.288 1.00 33.78 C ATOM 762 OD1 ASN A 124 7.910 -8.132 -8.529 1.00 37.03 O ATOM 763 ND2 ASN A 124 6.669 -6.301 -8.917 1.00 38.42 N ATOM 0 H ASN A 124 8.372 -7.901 -5.536 1.00 22.59 H new ATOM 0 HA ASN A 124 6.633 -6.707 -5.669 1.00 25.13 H new ATOM 0 HB2 ASN A 124 5.697 -8.807 -7.348 1.00 29.57 H new ATOM 0 HB3 ASN A 124 5.089 -7.372 -7.352 1.00 29.57 H new ATOM 0 HD21 ASN A 124 7.213 -6.014 -9.518 1.00 38.42 H new ATOM 0 HD22 ASN A 124 5.965 -5.847 -8.723 1.00 38.42 H new ATOM 764 N SER A 125 5.700 -8.077 -3.518 1.00 20.55 N ATOM 765 CA SER A 125 4.755 -8.430 -2.465 1.00 20.22 C ATOM 766 C SER A 125 4.438 -7.201 -1.627 1.00 20.66 C ATOM 767 O SER A 125 5.337 -6.424 -1.286 1.00 18.66 O ATOM 768 CB SER A 125 5.330 -9.516 -1.555 1.00 20.36 C ATOM 769 OG SER A 125 4.449 -9.758 -0.466 1.00 21.07 O ATOM 0 H SER A 125 6.493 -7.896 -3.237 1.00 20.55 H new ATOM 0 HA SER A 125 3.948 -8.766 -2.885 1.00 20.22 H new ATOM 0 HB2 SER A 125 5.464 -10.333 -2.060 1.00 20.36 H new ATOM 0 HB3 SER A 125 6.199 -9.242 -1.222 1.00 20.36 H new ATOM 0 HG SER A 125 4.771 -10.356 0.028 1.00 21.07 H new ATOM 770 N ARG A 126 3.162 -7.029 -1.293 1.00 17.34 N ATOM 771 CA ARG A 126 2.742 -5.883 -0.498 1.00 18.63 C ATOM 772 C ARG A 126 2.509 -6.262 0.959 1.00 18.69 C ATOM 773 O ARG A 126 1.956 -5.481 1.739 1.00 20.17 O ATOM 774 CB ARG A 126 1.481 -5.250 -1.114 1.00 15.20 C ATOM 775 CG ARG A 126 1.775 -4.502 -2.431 1.00 16.96 C ATOM 776 CD ARG A 126 0.517 -4.138 -3.213 1.00 16.68 C ATOM 777 NE ARG A 126 -0.419 -3.347 -2.423 1.00 17.96 N ATOM 778 CZ ARG A 126 -0.238 -2.070 -2.104 1.00 17.68 C ATOM 779 NH1 ARG A 126 0.849 -1.420 -2.513 1.00 17.48 N ATOM 780 NH2 ARG A 126 -1.140 -1.448 -1.364 1.00 17.35 N ATOM 0 H ARG A 126 2.527 -7.564 -1.517 1.00 17.34 H new ATOM 0 HA ARG A 126 3.458 -5.229 -0.509 1.00 18.63 H new ATOM 0 HB2 ARG A 126 0.823 -5.943 -1.280 1.00 15.20 H new ATOM 0 HB3 ARG A 126 1.088 -4.633 -0.476 1.00 15.20 H new ATOM 0 HG2 ARG A 126 2.270 -3.692 -2.232 1.00 16.96 H new ATOM 0 HG3 ARG A 126 2.346 -5.054 -2.988 1.00 16.96 H new ATOM 0 HD2 ARG A 126 0.766 -3.641 -4.008 1.00 16.68 H new ATOM 0 HD3 ARG A 126 0.079 -4.950 -3.512 1.00 16.68 H new ATOM 0 HE ARG A 126 -1.136 -3.733 -2.145 1.00 17.96 H new ATOM 0 HH11 ARG A 126 1.440 -1.827 -2.987 1.00 17.48 H new ATOM 0 HH12 ARG A 126 0.960 -0.593 -2.303 1.00 17.48 H new ATOM 0 HH21 ARG A 126 -1.838 -1.870 -1.092 1.00 17.35 H new ATOM 0 HH22 ARG A 126 -1.028 -0.621 -1.154 1.00 17.35 H new ATOM 781 N LYS A 127 2.950 -7.460 1.327 1.00 18.36 N ATOM 782 CA LYS A 127 2.794 -7.926 2.697 1.00 17.94 C ATOM 783 C LYS A 127 3.547 -7.045 3.670 1.00 16.82 C ATOM 784 O LYS A 127 4.638 -6.553 3.371 1.00 16.93 O ATOM 785 CB LYS A 127 3.310 -9.357 2.847 1.00 20.26 C ATOM 786 CG LYS A 127 2.481 -10.400 2.115 1.00 26.75 C ATOM 787 CD LYS A 127 3.085 -11.791 2.262 1.00 27.99 C ATOM 788 CE LYS A 127 2.226 -12.827 1.549 1.00 29.71 C ATOM 789 NZ LYS A 127 2.764 -14.205 1.685 1.00 28.98 N ATOM 0 H LYS A 127 3.341 -8.016 0.800 1.00 18.36 H new ATOM 0 HA LYS A 127 1.846 -7.892 2.898 1.00 17.94 H new ATOM 0 HB2 LYS A 127 4.222 -9.397 2.520 1.00 20.26 H new ATOM 0 HB3 LYS A 127 3.336 -9.583 3.790 1.00 20.26 H new ATOM 0 HG2 LYS A 127 1.576 -10.400 2.464 1.00 26.75 H new ATOM 0 HG3 LYS A 127 2.423 -10.168 1.175 1.00 26.75 H new ATOM 0 HD2 LYS A 127 3.983 -11.800 1.894 1.00 27.99 H new ATOM 0 HD3 LYS A 127 3.161 -12.018 3.202 1.00 27.99 H new ATOM 0 HE2 LYS A 127 1.325 -12.798 1.908 1.00 29.71 H new ATOM 0 HE3 LYS A 127 2.164 -12.599 0.608 1.00 29.71 H new ATOM 0 HZ1 LYS A 127 2.233 -14.775 1.255 1.00 28.98 H new ATOM 0 HZ2 LYS A 127 3.582 -14.241 1.335 1.00 28.98 H new ATOM 0 HZ3 LYS A 127 2.800 -14.426 2.546 1.00 28.98 H new ATOM 790 N PRO A 128 2.973 -6.838 4.859 1.00 15.46 N ATOM 791 CA PRO A 128 3.607 -6.015 5.888 1.00 15.84 C ATOM 792 C PRO A 128 4.687 -6.848 6.571 1.00 14.29 C ATOM 793 O PRO A 128 4.751 -8.066 6.398 1.00 12.02 O ATOM 794 CB PRO A 128 2.459 -5.716 6.836 1.00 16.52 C ATOM 795 CG PRO A 128 1.684 -6.999 6.799 1.00 18.47 C ATOM 796 CD PRO A 128 1.652 -7.315 5.306 1.00 16.78 C ATOM 0 HA PRO A 128 4.034 -5.207 5.562 1.00 15.84 H new ATOM 0 HB2 PRO A 128 2.771 -5.506 7.730 1.00 16.52 H new ATOM 0 HB3 PRO A 128 1.928 -4.962 6.537 1.00 16.52 H new ATOM 0 HG2 PRO A 128 2.120 -7.700 7.308 1.00 18.47 H new ATOM 0 HG3 PRO A 128 0.792 -6.894 7.166 1.00 18.47 H new ATOM 0 HD2 PRO A 128 1.533 -8.263 5.139 1.00 16.78 H new ATOM 0 HD3 PRO A 128 0.928 -6.854 4.853 1.00 16.78 H new ATOM 797 N ILE A 129 5.532 -6.192 7.349 1.00 13.13 N ATOM 798 CA ILE A 129 6.585 -6.887 8.071 1.00 12.67 C ATOM 799 C ILE A 129 6.375 -6.696 9.574 1.00 14.28 C ATOM 800 O ILE A 129 6.122 -5.580 10.021 1.00 14.07 O ATOM 801 CB ILE A 129 7.975 -6.318 7.719 1.00 11.58 C ATOM 802 CG1 ILE A 129 8.291 -6.577 6.242 1.00 10.76 C ATOM 803 CG2 ILE A 129 9.034 -6.948 8.634 1.00 9.19 C ATOM 804 CD1 ILE A 129 9.514 -5.793 5.718 1.00 8.18 C ATOM 0 H ILE A 129 5.513 -5.341 7.473 1.00 13.13 H new ATOM 0 HA ILE A 129 6.547 -7.824 7.823 1.00 12.67 H new ATOM 0 HB ILE A 129 7.980 -5.358 7.860 1.00 11.58 H new ATOM 0 HG12 ILE A 129 8.447 -7.526 6.115 1.00 10.76 H new ATOM 0 HG13 ILE A 129 7.515 -6.344 5.708 1.00 10.76 H new ATOM 0 HG21 ILE A 129 9.908 -6.590 8.412 1.00 9.19 H new ATOM 0 HG22 ILE A 129 8.826 -6.743 9.559 1.00 9.19 H new ATOM 0 HG23 ILE A 129 9.038 -7.910 8.510 1.00 9.19 H new ATOM 0 HD11 ILE A 129 9.656 -6.003 4.782 1.00 8.18 H new ATOM 0 HD12 ILE A 129 9.354 -4.841 5.815 1.00 8.18 H new ATOM 0 HD13 ILE A 129 10.301 -6.042 6.228 1.00 8.18 H new ATOM 805 N TYR A 130 6.466 -7.780 10.342 1.00 13.26 N ATOM 806 CA TYR A 130 6.345 -7.684 11.797 1.00 15.77 C ATOM 807 C TYR A 130 7.731 -7.748 12.421 1.00 15.93 C ATOM 808 O TYR A 130 8.575 -8.555 12.026 1.00 17.12 O ATOM 809 CB TYR A 130 5.511 -8.831 12.389 1.00 17.77 C ATOM 810 CG TYR A 130 4.021 -8.576 12.440 1.00 18.88 C ATOM 811 CD1 TYR A 130 3.142 -9.343 11.680 1.00 19.35 C ATOM 812 CD2 TYR A 130 3.488 -7.569 13.257 1.00 19.46 C ATOM 813 CE1 TYR A 130 1.763 -9.121 11.729 1.00 18.55 C ATOM 814 CE2 TYR A 130 2.111 -7.334 13.314 1.00 19.84 C ATOM 815 CZ TYR A 130 1.257 -8.120 12.539 1.00 20.56 C ATOM 816 OH TYR A 130 -0.100 -7.881 12.549 1.00 25.39 O ATOM 0 H TYR A 130 6.597 -8.576 10.043 1.00 13.26 H new ATOM 0 HA TYR A 130 5.901 -6.844 11.993 1.00 15.77 H new ATOM 0 HB2 TYR A 130 5.671 -9.632 11.867 1.00 17.77 H new ATOM 0 HB3 TYR A 130 5.826 -9.011 13.289 1.00 17.77 H new ATOM 0 HD1 TYR A 130 3.478 -10.014 11.131 1.00 19.35 H new ATOM 0 HD2 TYR A 130 4.061 -7.047 13.771 1.00 19.46 H new ATOM 0 HE1 TYR A 130 1.188 -9.644 11.219 1.00 18.55 H new ATOM 0 HE2 TYR A 130 1.769 -6.664 13.860 1.00 19.84 H new ATOM 0 HH TYR A 130 -0.270 -7.253 13.080 1.00 25.39 H new ATOM 817 N SER A 131 7.954 -6.869 13.385 1.00 17.88 N ATOM 818 CA SER A 131 9.194 -6.815 14.143 1.00 16.78 C ATOM 819 C SER A 131 8.745 -6.458 15.551 1.00 16.19 C ATOM 820 O SER A 131 7.785 -5.703 15.717 1.00 12.34 O ATOM 821 CB SER A 131 10.124 -5.712 13.628 1.00 17.89 C ATOM 822 OG SER A 131 11.180 -5.496 14.567 1.00 14.94 O ATOM 0 H SER A 131 7.379 -6.276 13.622 1.00 17.88 H new ATOM 0 HA SER A 131 9.685 -7.649 14.081 1.00 16.78 H new ATOM 0 HB2 SER A 131 10.492 -5.963 12.766 1.00 17.89 H new ATOM 0 HB3 SER A 131 9.624 -4.891 13.495 1.00 17.89 H new ATOM 0 HG SER A 131 11.914 -5.704 14.216 1.00 14.94 H new ATOM 823 N ASP A 132 9.422 -7.003 16.557 1.00 16.83 N ATOM 824 CA ASP A 132 9.071 -6.703 17.940 1.00 19.46 C ATOM 825 C ASP A 132 9.992 -5.615 18.489 1.00 18.97 C ATOM 826 O ASP A 132 9.850 -5.193 19.641 1.00 17.43 O ATOM 827 CB ASP A 132 9.203 -7.948 18.822 1.00 18.80 C ATOM 828 CG ASP A 132 10.618 -8.488 18.854 1.00 19.82 C ATOM 829 OD1 ASP A 132 11.574 -7.692 18.718 1.00 20.06 O ATOM 830 OD2 ASP A 132 10.781 -9.708 19.023 1.00 17.83 O ATOM 0 H ASP A 132 10.083 -7.545 16.461 1.00 16.83 H new ATOM 0 HA ASP A 132 8.150 -6.399 17.953 1.00 19.46 H new ATOM 0 HB2 ASP A 132 8.922 -7.733 19.725 1.00 18.80 H new ATOM 0 HB3 ASP A 132 8.604 -8.637 18.495 1.00 18.80 H new ATOM 831 N SER A 133 10.928 -5.166 17.660 1.00 17.44 N ATOM 832 CA SER A 133 11.896 -4.157 18.083 1.00 18.36 C ATOM 833 C SER A 133 11.442 -2.730 17.869 1.00 16.82 C ATOM 834 O SER A 133 11.380 -2.239 16.745 1.00 16.62 O ATOM 835 CB SER A 133 13.237 -4.363 17.371 1.00 18.39 C ATOM 836 OG SER A 133 14.122 -3.284 17.644 1.00 15.72 O ATOM 0 H SER A 133 11.021 -5.432 16.848 1.00 17.44 H new ATOM 0 HA SER A 133 11.990 -4.283 19.040 1.00 18.36 H new ATOM 0 HB2 SER A 133 13.638 -5.197 17.661 1.00 18.39 H new ATOM 0 HB3 SER A 133 13.093 -4.435 16.414 1.00 18.39 H new ATOM 0 HG SER A 133 14.323 -3.286 18.460 1.00 15.72 H new ATOM 837 N GLN A 134 11.141 -2.062 18.969 1.00 17.74 N ATOM 838 CA GLN A 134 10.705 -0.681 18.922 1.00 20.25 C ATOM 839 C GLN A 134 11.818 0.149 18.291 1.00 18.72 C ATOM 840 O GLN A 134 11.581 1.011 17.442 1.00 18.73 O ATOM 841 CB GLN A 134 10.424 -0.205 20.346 1.00 23.01 C ATOM 842 CG GLN A 134 9.906 1.202 20.453 1.00 28.37 C ATOM 843 CD GLN A 134 9.620 1.575 21.894 1.00 33.26 C ATOM 844 OE1 GLN A 134 10.405 2.509 22.431 1.00 32.48 O flip ATOM 845 NE2 GLN A 134 8.711 1.019 22.527 1.00 36.01 N flip ATOM 0 H GLN A 134 11.184 -2.395 19.761 1.00 17.74 H new ATOM 0 HA GLN A 134 9.896 -0.588 18.395 1.00 20.25 H new ATOM 0 HB2 GLN A 134 9.779 -0.805 20.752 1.00 23.01 H new ATOM 0 HB3 GLN A 134 11.241 -0.275 20.864 1.00 23.01 H new ATOM 0 HG2 GLN A 134 10.556 1.818 20.080 1.00 28.37 H new ATOM 0 HG3 GLN A 134 9.096 1.292 19.927 1.00 28.37 H new ATOM 0 HE21 GLN A 134 8.225 0.421 22.146 1.00 36.01 H new ATOM 0 HE22 GLN A 134 8.566 1.232 23.348 1.00 36.01 H new ATOM 846 N THR A 135 13.041 -0.150 18.703 1.00 17.86 N ATOM 847 CA THR A 135 14.224 0.545 18.222 1.00 17.56 C ATOM 848 C THR A 135 14.447 0.402 16.722 1.00 17.81 C ATOM 849 O THR A 135 14.595 1.394 16.014 1.00 17.78 O ATOM 850 CB THR A 135 15.476 0.041 18.963 1.00 17.15 C ATOM 851 OG1 THR A 135 15.372 0.380 20.349 1.00 18.07 O ATOM 852 CG2 THR A 135 16.744 0.661 18.376 1.00 16.51 C ATOM 0 H THR A 135 13.209 -0.769 19.276 1.00 17.86 H new ATOM 0 HA THR A 135 14.071 1.486 18.403 1.00 17.56 H new ATOM 0 HB THR A 135 15.532 -0.922 18.860 1.00 17.15 H new ATOM 0 HG1 THR A 135 14.617 0.716 20.500 1.00 18.07 H new ATOM 0 HG21 THR A 135 17.519 0.330 18.857 1.00 16.51 H new ATOM 0 HG22 THR A 135 16.818 0.420 17.439 1.00 16.51 H new ATOM 0 HG23 THR A 135 16.701 1.626 18.459 1.00 16.51 H new ATOM 853 N ALA A 136 14.494 -0.836 16.242 1.00 19.30 N ATOM 854 CA ALA A 136 14.715 -1.089 14.821 1.00 17.05 C ATOM 855 C ALA A 136 13.643 -0.415 13.973 1.00 16.72 C ATOM 856 O ALA A 136 13.939 0.189 12.943 1.00 17.92 O ATOM 857 CB ALA A 136 14.733 -2.587 14.557 1.00 16.02 C ATOM 0 H ALA A 136 14.400 -1.544 16.721 1.00 19.30 H new ATOM 0 HA ALA A 136 15.574 -0.713 14.573 1.00 17.05 H new ATOM 0 HB1 ALA A 136 14.880 -2.747 13.612 1.00 16.02 H new ATOM 0 HB2 ALA A 136 15.447 -2.997 15.069 1.00 16.02 H new ATOM 0 HB3 ALA A 136 13.883 -2.973 14.821 1.00 16.02 H new ATOM 858 N ILE A 137 12.395 -0.523 14.412 1.00 17.19 N ATOM 859 CA ILE A 137 11.279 0.074 13.693 1.00 18.26 C ATOM 860 C ILE A 137 11.481 1.572 13.485 1.00 19.01 C ATOM 861 O ILE A 137 11.186 2.102 12.413 1.00 16.88 O ATOM 862 CB ILE A 137 9.958 -0.175 14.447 1.00 18.94 C ATOM 863 CG1 ILE A 137 9.611 -1.666 14.373 1.00 18.08 C ATOM 864 CG2 ILE A 137 8.846 0.710 13.881 1.00 15.77 C ATOM 865 CD1 ILE A 137 8.382 -2.062 15.168 1.00 17.24 C ATOM 0 H ILE A 137 12.173 -0.941 15.130 1.00 17.19 H new ATOM 0 HA ILE A 137 11.236 -0.348 12.821 1.00 18.26 H new ATOM 0 HB ILE A 137 10.057 0.065 15.382 1.00 18.94 H new ATOM 0 HG12 ILE A 137 9.474 -1.910 13.444 1.00 18.08 H new ATOM 0 HG13 ILE A 137 10.369 -2.180 14.693 1.00 18.08 H new ATOM 0 HG21 ILE A 137 8.022 0.543 14.364 1.00 15.77 H new ATOM 0 HG22 ILE A 137 9.094 1.643 13.978 1.00 15.77 H new ATOM 0 HG23 ILE A 137 8.716 0.506 12.942 1.00 15.77 H new ATOM 0 HD11 ILE A 137 8.228 -3.015 15.072 1.00 17.24 H new ATOM 0 HD12 ILE A 137 8.520 -1.850 16.104 1.00 17.24 H new ATOM 0 HD13 ILE A 137 7.611 -1.575 14.837 1.00 17.24 H new ATOM 866 N LYS A 138 11.987 2.254 14.507 1.00 20.83 N ATOM 867 CA LYS A 138 12.220 3.688 14.395 1.00 22.05 C ATOM 868 C LYS A 138 13.398 3.963 13.469 1.00 22.02 C ATOM 869 O LYS A 138 13.349 4.873 12.642 1.00 21.56 O ATOM 870 CB LYS A 138 12.500 4.310 15.763 1.00 23.45 C ATOM 871 CG LYS A 138 12.786 5.804 15.686 1.00 27.51 C ATOM 872 CD LYS A 138 12.985 6.413 17.061 1.00 30.64 C ATOM 873 CE LYS A 138 13.184 7.921 16.970 1.00 31.89 C ATOM 874 NZ LYS A 138 14.404 8.290 16.187 1.00 35.06 N ATOM 0 H LYS A 138 12.200 1.910 15.266 1.00 20.83 H new ATOM 0 HA LYS A 138 11.416 4.088 14.028 1.00 22.05 H new ATOM 0 HB2 LYS A 138 11.737 4.161 16.344 1.00 23.45 H new ATOM 0 HB3 LYS A 138 13.258 3.861 16.169 1.00 23.45 H new ATOM 0 HG2 LYS A 138 13.579 5.954 15.148 1.00 27.51 H new ATOM 0 HG3 LYS A 138 12.051 6.251 15.238 1.00 27.51 H new ATOM 0 HD2 LYS A 138 12.215 6.219 17.618 1.00 30.64 H new ATOM 0 HD3 LYS A 138 13.755 6.007 17.489 1.00 30.64 H new ATOM 0 HE2 LYS A 138 12.404 8.323 16.557 1.00 31.89 H new ATOM 0 HE3 LYS A 138 13.253 8.290 17.864 1.00 31.89 H new ATOM 0 HZ1 LYS A 138 14.523 9.171 16.220 1.00 35.06 H new ATOM 0 HZ2 LYS A 138 15.115 7.882 16.535 1.00 35.06 H new ATOM 0 HZ3 LYS A 138 14.302 8.036 15.340 1.00 35.06 H new ATOM 875 N TRP A 139 14.462 3.184 13.617 1.00 21.92 N ATOM 876 CA TRP A 139 15.625 3.366 12.771 1.00 22.96 C ATOM 877 C TRP A 139 15.228 3.250 11.299 1.00 24.25 C ATOM 878 O TRP A 139 15.693 4.031 10.462 1.00 22.23 O ATOM 879 CB TRP A 139 16.704 2.331 13.103 1.00 23.14 C ATOM 880 CG TRP A 139 17.416 2.587 14.403 1.00 21.52 C ATOM 881 CD1 TRP A 139 17.222 3.636 15.253 1.00 19.52 C ATOM 882 CD2 TRP A 139 18.454 1.789 14.980 1.00 19.98 C ATOM 883 NE1 TRP A 139 18.077 3.542 16.324 1.00 19.99 N ATOM 884 CE2 TRP A 139 18.845 2.419 16.182 1.00 20.63 C ATOM 885 CE3 TRP A 139 19.093 0.603 14.598 1.00 20.33 C ATOM 886 CZ2 TRP A 139 19.852 1.903 17.010 1.00 21.26 C ATOM 887 CZ3 TRP A 139 20.094 0.086 15.420 1.00 20.29 C ATOM 888 CH2 TRP A 139 20.464 0.738 16.613 1.00 22.38 C ATOM 0 H TRP A 139 14.528 2.551 14.196 1.00 21.92 H new ATOM 0 HA TRP A 139 15.986 4.251 12.935 1.00 22.96 H new ATOM 0 HB2 TRP A 139 16.297 1.451 13.136 1.00 23.14 H new ATOM 0 HB3 TRP A 139 17.356 2.315 12.385 1.00 23.14 H new ATOM 0 HD1 TRP A 139 16.601 4.316 15.126 1.00 19.52 H new ATOM 0 HE1 TRP A 139 18.122 4.099 16.978 1.00 19.99 H new ATOM 0 HE3 TRP A 139 18.854 0.168 13.811 1.00 20.33 H new ATOM 0 HZ2 TRP A 139 20.097 2.333 17.798 1.00 21.26 H new ATOM 0 HZ3 TRP A 139 20.524 -0.702 15.177 1.00 20.29 H new ATOM 0 HH2 TRP A 139 21.136 0.373 17.142 1.00 22.38 H new ATOM 889 N VAL A 140 14.376 2.277 10.979 1.00 21.98 N ATOM 890 CA VAL A 140 13.947 2.108 9.596 1.00 21.25 C ATOM 891 C VAL A 140 13.102 3.309 9.193 1.00 23.09 C ATOM 892 O VAL A 140 13.272 3.859 8.112 1.00 22.82 O ATOM 893 CB VAL A 140 13.121 0.811 9.391 1.00 20.34 C ATOM 894 CG1 VAL A 140 12.520 0.794 7.984 1.00 16.78 C ATOM 895 CG2 VAL A 140 14.011 -0.406 9.566 1.00 14.49 C ATOM 0 H VAL A 140 14.041 1.715 11.537 1.00 21.98 H new ATOM 0 HA VAL A 140 14.741 2.039 9.043 1.00 21.25 H new ATOM 0 HB VAL A 140 12.409 0.788 10.050 1.00 20.34 H new ATOM 0 HG11 VAL A 140 12.005 -0.019 7.862 1.00 16.78 H new ATOM 0 HG12 VAL A 140 11.941 1.564 7.870 1.00 16.78 H new ATOM 0 HG13 VAL A 140 13.233 0.826 7.327 1.00 16.78 H new ATOM 0 HG21 VAL A 140 13.487 -1.212 9.436 1.00 14.49 H new ATOM 0 HG22 VAL A 140 14.728 -0.379 8.914 1.00 14.49 H new ATOM 0 HG23 VAL A 140 14.387 -0.406 10.460 1.00 14.49 H new ATOM 896 N LYS A 141 12.196 3.718 10.070 1.00 25.60 N ATOM 897 CA LYS A 141 11.346 4.871 9.786 1.00 28.61 C ATOM 898 C LYS A 141 12.193 6.101 9.440 1.00 29.10 C ATOM 899 O LYS A 141 11.860 6.846 8.520 1.00 28.65 O ATOM 900 CB LYS A 141 10.457 5.176 10.992 1.00 30.15 C ATOM 901 CG LYS A 141 9.570 6.401 10.837 1.00 33.53 C ATOM 902 CD LYS A 141 8.779 6.643 12.116 1.00 37.06 C ATOM 903 CE LYS A 141 7.998 7.943 12.062 1.00 40.10 C ATOM 904 NZ LYS A 141 6.997 7.950 10.958 1.00 41.80 N ATOM 0 H LYS A 141 12.056 3.346 10.832 1.00 25.60 H new ATOM 0 HA LYS A 141 10.788 4.657 9.022 1.00 28.61 H new ATOM 0 HB2 LYS A 141 9.895 4.405 11.166 1.00 30.15 H new ATOM 0 HB3 LYS A 141 11.021 5.298 11.771 1.00 30.15 H new ATOM 0 HG2 LYS A 141 10.113 7.178 10.633 1.00 33.53 H new ATOM 0 HG3 LYS A 141 8.962 6.276 10.092 1.00 33.53 H new ATOM 0 HD2 LYS A 141 8.167 5.905 12.262 1.00 37.06 H new ATOM 0 HD3 LYS A 141 9.386 6.662 12.872 1.00 37.06 H new ATOM 0 HE2 LYS A 141 7.545 8.082 12.908 1.00 40.10 H new ATOM 0 HE3 LYS A 141 8.613 8.684 11.944 1.00 40.10 H new ATOM 0 HZ1 LYS A 141 6.501 8.687 11.011 1.00 41.80 H new ATOM 0 HZ2 LYS A 141 7.419 7.932 10.174 1.00 41.80 H new ATOM 0 HZ3 LYS A 141 6.472 7.235 11.028 1.00 41.80 H new ATOM 905 N ASP A 142 13.293 6.297 10.166 1.00 30.06 N ATOM 906 CA ASP A 142 14.175 7.440 9.939 1.00 31.68 C ATOM 907 C ASP A 142 15.235 7.193 8.880 1.00 32.14 C ATOM 908 O ASP A 142 15.901 8.129 8.444 1.00 30.63 O ATOM 909 CB ASP A 142 14.909 7.835 11.226 1.00 33.62 C ATOM 910 CG ASP A 142 13.981 8.014 12.402 1.00 33.90 C ATOM 911 OD1 ASP A 142 12.861 8.539 12.211 1.00 31.98 O ATOM 912 OD2 ASP A 142 14.383 7.638 13.527 1.00 36.97 O ATOM 0 H ASP A 142 13.547 5.774 10.800 1.00 30.06 H new ATOM 0 HA ASP A 142 13.585 8.147 9.633 1.00 31.68 H new ATOM 0 HB2 ASP A 142 15.566 7.154 11.440 1.00 33.62 H new ATOM 0 HB3 ASP A 142 15.395 8.661 11.075 1.00 33.62 H new ATOM 913 N LYS A 143 15.408 5.936 8.487 1.00 34.00 N ATOM 914 CA LYS A 143 16.417 5.573 7.501 1.00 34.54 C ATOM 915 C LYS A 143 17.800 5.842 8.088 1.00 35.39 C ATOM 916 O LYS A 143 18.748 6.166 7.367 1.00 35.55 O ATOM 917 CB LYS A 143 16.229 6.376 6.208 1.00 35.48 C ATOM 918 CG LYS A 143 14.911 6.114 5.497 1.00 35.70 C ATOM 919 CD LYS A 143 14.862 6.837 4.157 1.00 36.43 C ATOM 920 CE LYS A 143 13.514 6.670 3.469 1.00 37.16 C ATOM 921 NZ LYS A 143 13.273 5.274 2.997 1.00 38.88 N ATOM 0 H LYS A 143 14.946 5.273 8.783 1.00 34.00 H new ATOM 0 HA LYS A 143 16.327 4.632 7.284 1.00 34.54 H new ATOM 0 HB2 LYS A 143 16.291 7.322 6.415 1.00 35.48 H new ATOM 0 HB3 LYS A 143 16.958 6.170 5.602 1.00 35.48 H new ATOM 0 HG2 LYS A 143 14.798 5.161 5.358 1.00 35.70 H new ATOM 0 HG3 LYS A 143 14.174 6.409 6.055 1.00 35.70 H new ATOM 0 HD2 LYS A 143 15.040 7.781 4.293 1.00 36.43 H new ATOM 0 HD3 LYS A 143 15.563 6.496 3.580 1.00 36.43 H new ATOM 0 HE2 LYS A 143 12.808 6.925 4.084 1.00 37.16 H new ATOM 0 HE3 LYS A 143 13.464 7.276 2.713 1.00 37.16 H new ATOM 0 HZ1 LYS A 143 12.510 5.242 2.540 1.00 38.88 H new ATOM 0 HZ2 LYS A 143 13.944 5.018 2.471 1.00 38.88 H new ATOM 0 HZ3 LYS A 143 13.222 4.728 3.698 1.00 38.88 H new ATOM 922 N LYS A 144 17.908 5.692 9.407 1.00 35.33 N ATOM 923 CA LYS A 144 19.167 5.922 10.111 1.00 34.60 C ATOM 924 C LYS A 144 19.273 5.081 11.386 1.00 31.99 C ATOM 925 O LYS A 144 18.503 5.265 12.325 1.00 30.22 O ATOM 926 CB LYS A 144 19.297 7.410 10.460 1.00 36.65 C ATOM 927 CG LYS A 144 20.475 7.747 11.366 1.00 39.50 C ATOM 928 CD LYS A 144 21.813 7.554 10.664 1.00 42.31 C ATOM 929 CE LYS A 144 21.977 8.535 9.510 1.00 44.58 C ATOM 930 NZ LYS A 144 23.332 8.463 8.886 1.00 46.40 N ATOM 0 H LYS A 144 17.257 5.455 9.916 1.00 35.33 H new ATOM 0 HA LYS A 144 19.889 5.653 9.521 1.00 34.60 H new ATOM 0 HB2 LYS A 144 19.381 7.917 9.637 1.00 36.65 H new ATOM 0 HB3 LYS A 144 18.479 7.702 10.891 1.00 36.65 H new ATOM 0 HG2 LYS A 144 20.398 8.666 11.665 1.00 39.50 H new ATOM 0 HG3 LYS A 144 20.443 7.187 12.158 1.00 39.50 H new ATOM 0 HD2 LYS A 144 22.535 7.675 11.300 1.00 42.31 H new ATOM 0 HD3 LYS A 144 21.878 6.645 10.331 1.00 42.31 H new ATOM 0 HE2 LYS A 144 21.304 8.352 8.836 1.00 44.58 H new ATOM 0 HE3 LYS A 144 21.820 9.437 9.831 1.00 44.58 H new ATOM 0 HZ1 LYS A 144 23.384 9.050 8.219 1.00 46.40 H new ATOM 0 HZ2 LYS A 144 23.951 8.653 9.497 1.00 46.40 H new ATOM 0 HZ3 LYS A 144 23.470 7.643 8.570 1.00 46.40 H new ATOM 931 N ALA A 145 20.240 4.167 11.404 1.00 32.20 N ATOM 932 CA ALA A 145 20.485 3.283 12.544 1.00 32.50 C ATOM 933 C ALA A 145 21.415 3.946 13.563 1.00 33.22 C ATOM 934 O ALA A 145 22.636 3.881 13.437 1.00 35.52 O ATOM 935 CB ALA A 145 21.093 1.982 12.057 1.00 30.47 C ATOM 0 H ALA A 145 20.780 4.040 10.747 1.00 32.20 H new ATOM 0 HA ALA A 145 19.638 3.102 12.981 1.00 32.50 H new ATOM 0 HB1 ALA A 145 21.255 1.397 12.814 1.00 30.47 H new ATOM 0 HB2 ALA A 145 20.482 1.550 11.440 1.00 30.47 H new ATOM 0 HB3 ALA A 145 21.932 2.166 11.606 1.00 30.47 H new ATOM 936 N LYS A 146 20.828 4.555 14.586 1.00 32.78 N ATOM 937 CA LYS A 146 21.579 5.271 15.618 1.00 31.73 C ATOM 938 C LYS A 146 22.207 4.353 16.672 1.00 29.95 C ATOM 939 O LYS A 146 21.899 4.454 17.856 1.00 28.54 O ATOM 940 CB LYS A 146 20.637 6.273 16.285 1.00 33.22 C ATOM 941 CG LYS A 146 21.289 7.428 17.010 1.00 36.14 C ATOM 942 CD LYS A 146 20.189 8.292 17.621 1.00 40.85 C ATOM 943 CE LYS A 146 20.737 9.463 18.416 1.00 43.46 C ATOM 944 NZ LYS A 146 21.481 10.426 17.554 1.00 47.03 N ATOM 0 H LYS A 146 19.976 4.566 14.704 1.00 32.78 H new ATOM 0 HA LYS A 146 22.323 5.718 15.185 1.00 31.73 H new ATOM 0 HB2 LYS A 146 20.047 6.635 15.605 1.00 33.22 H new ATOM 0 HB3 LYS A 146 20.080 5.792 16.917 1.00 33.22 H new ATOM 0 HG2 LYS A 146 21.885 7.100 17.702 1.00 36.14 H new ATOM 0 HG3 LYS A 146 21.828 7.951 16.396 1.00 36.14 H new ATOM 0 HD2 LYS A 146 19.615 8.626 16.914 1.00 40.85 H new ATOM 0 HD3 LYS A 146 19.636 7.744 18.199 1.00 40.85 H new ATOM 0 HE2 LYS A 146 20.006 9.923 18.857 1.00 43.46 H new ATOM 0 HE3 LYS A 146 21.326 9.132 19.113 1.00 43.46 H new ATOM 0 HZ1 LYS A 146 21.724 11.132 18.038 1.00 47.03 H new ATOM 0 HZ2 LYS A 146 22.206 10.030 17.223 1.00 47.03 H new ATOM 0 HZ3 LYS A 146 20.958 10.692 16.885 1.00 47.03 H new ATOM 945 N SER A 147 23.099 3.470 16.237 1.00 29.04 N ATOM 946 CA SER A 147 23.751 2.538 17.145 1.00 29.52 C ATOM 947 C SER A 147 24.932 3.170 17.867 1.00 30.74 C ATOM 948 O SER A 147 25.625 4.020 17.309 1.00 30.60 O ATOM 949 CB SER A 147 24.231 1.306 16.378 1.00 27.56 C ATOM 950 OG SER A 147 24.900 0.404 17.249 1.00 30.35 O ATOM 0 H SER A 147 23.341 3.395 15.415 1.00 29.04 H new ATOM 0 HA SER A 147 23.094 2.282 17.811 1.00 29.52 H new ATOM 0 HB2 SER A 147 23.475 0.862 15.963 1.00 27.56 H new ATOM 0 HB3 SER A 147 24.828 1.576 15.663 1.00 27.56 H new ATOM 0 HG SER A 147 24.352 -0.161 17.542 1.00 30.35 H new ATOM 951 N THR A 148 25.161 2.747 19.109 1.00 30.45 N ATOM 952 CA THR A 148 26.271 3.272 19.899 1.00 29.67 C ATOM 953 C THR A 148 27.487 2.358 19.809 1.00 29.08 C ATOM 954 O THR A 148 28.537 2.666 20.374 1.00 29.21 O ATOM 955 CB THR A 148 25.913 3.396 21.395 1.00 30.27 C ATOM 956 OG1 THR A 148 25.700 2.084 21.945 1.00 31.24 O ATOM 957 CG2 THR A 148 24.663 4.248 21.585 1.00 30.92 C ATOM 0 H THR A 148 24.684 2.156 19.512 1.00 30.45 H new ATOM 0 HA THR A 148 26.465 4.148 19.531 1.00 29.67 H new ATOM 0 HB THR A 148 26.648 3.829 21.857 1.00 30.27 H new ATOM 0 HG1 THR A 148 25.092 1.695 21.515 1.00 31.24 H new ATOM 0 HG21 THR A 148 24.456 4.313 22.530 1.00 30.92 H new ATOM 0 HG22 THR A 148 24.819 5.136 21.227 1.00 30.92 H new ATOM 0 HG23 THR A 148 23.918 3.838 21.119 1.00 30.92 H new ATOM 958 N LEU A 149 27.346 1.236 19.111 1.00 27.88 N ATOM 959 CA LEU A 149 28.443 0.282 18.982 1.00 27.92 C ATOM 960 C LEU A 149 29.708 0.910 18.406 1.00 29.57 C ATOM 961 O LEU A 149 29.677 1.545 17.350 1.00 27.89 O ATOM 962 CB LEU A 149 28.035 -0.897 18.102 1.00 27.11 C ATOM 963 CG LEU A 149 29.133 -1.950 17.925 1.00 28.10 C ATOM 964 CD1 LEU A 149 29.463 -2.555 19.285 1.00 27.84 C ATOM 965 CD2 LEU A 149 28.678 -3.034 16.954 1.00 27.70 C ATOM 0 H LEU A 149 26.623 1.008 18.704 1.00 27.88 H new ATOM 0 HA LEU A 149 28.640 -0.023 19.882 1.00 27.92 H new ATOM 0 HB2 LEU A 149 27.252 -1.321 18.487 1.00 27.11 H new ATOM 0 HB3 LEU A 149 27.776 -0.563 17.229 1.00 27.11 H new ATOM 0 HG LEU A 149 29.927 -1.532 17.556 1.00 28.10 H new ATOM 0 HD11 LEU A 149 30.158 -3.224 19.182 1.00 27.84 H new ATOM 0 HD12 LEU A 149 29.772 -1.857 19.883 1.00 27.84 H new ATOM 0 HD13 LEU A 149 28.669 -2.970 19.656 1.00 27.84 H new ATOM 0 HD21 LEU A 149 29.382 -3.693 16.852 1.00 27.70 H new ATOM 0 HD22 LEU A 149 27.880 -3.464 17.300 1.00 27.70 H new ATOM 0 HD23 LEU A 149 28.481 -2.635 16.092 1.00 27.70 H new ATOM 966 N VAL A 150 30.825 0.701 19.095 1.00 30.46 N ATOM 967 CA VAL A 150 32.103 1.247 18.660 1.00 30.67 C ATOM 968 C VAL A 150 32.454 0.827 17.233 1.00 32.18 C ATOM 969 O VAL A 150 32.225 -0.315 16.829 1.00 29.56 O ATOM 970 CB VAL A 150 33.251 0.802 19.602 1.00 30.14 C ATOM 971 CG1 VAL A 150 33.551 -0.690 19.405 1.00 29.03 C ATOM 972 CG2 VAL A 150 34.490 1.647 19.345 1.00 28.29 C ATOM 0 H VAL A 150 30.863 0.243 19.822 1.00 30.46 H new ATOM 0 HA VAL A 150 32.008 2.212 18.688 1.00 30.67 H new ATOM 0 HB VAL A 150 32.977 0.934 20.523 1.00 30.14 H new ATOM 0 HG11 VAL A 150 34.270 -0.957 19.999 1.00 29.03 H new ATOM 0 HG12 VAL A 150 32.757 -1.209 19.606 1.00 29.03 H new ATOM 0 HG13 VAL A 150 33.816 -0.848 18.485 1.00 29.03 H new ATOM 0 HG21 VAL A 150 35.204 1.363 19.937 1.00 28.29 H new ATOM 0 HG22 VAL A 150 34.772 1.536 18.423 1.00 28.29 H new ATOM 0 HG23 VAL A 150 34.285 2.581 19.510 1.00 28.29 H new ATOM 973 N ARG A 151 33.004 1.767 16.470 1.00 33.92 N ATOM 974 CA ARG A 151 33.415 1.491 15.099 1.00 36.91 C ATOM 975 C ARG A 151 34.912 1.216 15.079 1.00 38.06 C ATOM 976 O ARG A 151 35.717 2.121 15.306 1.00 37.15 O ATOM 977 CB ARG A 151 33.122 2.683 14.177 1.00 37.32 C ATOM 978 CG ARG A 151 31.875 2.561 13.308 1.00 37.99 C ATOM 979 CD ARG A 151 31.800 3.748 12.343 1.00 40.16 C ATOM 980 NE ARG A 151 30.442 4.054 11.885 1.00 39.48 N ATOM 981 CZ ARG A 151 29.904 3.625 10.745 1.00 38.32 C ATOM 982 NH1 ARG A 151 30.602 2.856 9.916 1.00 34.98 N ATOM 983 NH2 ARG A 151 28.665 3.983 10.429 1.00 38.02 N ATOM 0 H ARG A 151 33.148 2.574 16.730 1.00 33.92 H new ATOM 0 HA ARG A 151 32.916 0.723 14.779 1.00 36.91 H new ATOM 0 HB2 ARG A 151 33.038 3.480 14.724 1.00 37.32 H new ATOM 0 HB3 ARG A 151 33.888 2.817 13.597 1.00 37.32 H new ATOM 0 HG2 ARG A 151 31.897 1.729 12.810 1.00 37.99 H new ATOM 0 HG3 ARG A 151 31.082 2.536 13.866 1.00 37.99 H new ATOM 0 HD2 ARG A 151 32.170 4.532 12.779 1.00 40.16 H new ATOM 0 HD3 ARG A 151 32.358 3.563 11.572 1.00 40.16 H new ATOM 0 HE ARG A 151 29.955 4.549 12.392 1.00 39.48 H new ATOM 0 HH11 ARG A 151 31.408 2.631 10.114 1.00 34.98 H new ATOM 0 HH12 ARG A 151 30.248 2.583 9.182 1.00 34.98 H new ATOM 0 HH21 ARG A 151 28.215 4.489 10.959 1.00 38.02 H new ATOM 0 HH22 ARG A 151 28.312 3.709 9.694 1.00 38.02 H new ATOM 984 N ASN A 152 35.281 -0.034 14.822 1.00 39.02 N ATOM 985 CA ASN A 152 36.684 -0.409 14.746 1.00 40.32 C ATOM 986 C ASN A 152 36.839 -1.663 13.898 1.00 41.46 C ATOM 987 O ASN A 152 35.860 -2.202 13.378 1.00 42.61 O ATOM 988 CB ASN A 152 37.269 -0.636 16.141 1.00 41.01 C ATOM 989 CG ASN A 152 36.605 -1.777 16.879 1.00 41.94 C ATOM 990 OD1 ASN A 152 36.602 -2.918 16.419 1.00 43.69 O ATOM 991 ND2 ASN A 152 36.048 -1.475 18.042 1.00 43.86 N ATOM 0 H ASN A 152 34.731 -0.681 14.688 1.00 39.02 H new ATOM 0 HA ASN A 152 37.173 0.319 14.332 1.00 40.32 H new ATOM 0 HB2 ASN A 152 38.219 -0.817 16.063 1.00 41.01 H new ATOM 0 HB3 ASN A 152 37.177 0.177 16.662 1.00 41.01 H new ATOM 0 HD21 ASN A 152 35.665 -2.088 18.507 1.00 43.86 H new ATOM 0 HD22 ASN A 152 36.070 -0.666 18.332 1.00 43.86 H new ATOM 992 N GLU A 153 38.073 -2.124 13.753 1.00 42.61 N ATOM 993 CA GLU A 153 38.344 -3.305 12.950 1.00 43.02 C ATOM 994 C GLU A 153 37.409 -4.466 13.273 1.00 42.24 C ATOM 995 O GLU A 153 36.927 -5.145 12.367 1.00 42.50 O ATOM 996 CB GLU A 153 39.807 -3.744 13.125 1.00 43.98 C ATOM 997 CG GLU A 153 40.335 -3.694 14.562 1.00 48.69 C ATOM 998 CD GLU A 153 40.652 -2.276 15.030 1.00 51.07 C ATOM 999 OE1 GLU A 153 41.557 -1.636 14.448 1.00 51.41 O ATOM 1000 OE2 GLU A 153 39.995 -1.796 15.982 1.00 53.30 O ATOM 0 H GLU A 153 38.768 -1.767 14.112 1.00 42.61 H new ATOM 0 HA GLU A 153 38.184 -3.058 12.026 1.00 43.02 H new ATOM 0 HB2 GLU A 153 39.900 -4.651 12.793 1.00 43.98 H new ATOM 0 HB3 GLU A 153 40.368 -3.180 12.570 1.00 43.98 H new ATOM 0 HG2 GLU A 153 39.677 -4.086 15.157 1.00 48.69 H new ATOM 0 HG3 GLU A 153 41.136 -4.237 14.626 1.00 48.69 H new ATOM 1001 N GLU A 154 37.139 -4.680 14.559 1.00 40.21 N ATOM 1002 CA GLU A 154 36.282 -5.781 14.994 1.00 39.13 C ATOM 1003 C GLU A 154 34.811 -5.653 14.598 1.00 36.13 C ATOM 1004 O GLU A 154 34.157 -6.644 14.277 1.00 35.31 O ATOM 1005 CB GLU A 154 36.375 -5.940 16.512 1.00 42.33 C ATOM 1006 CG GLU A 154 36.613 -7.373 16.960 1.00 47.89 C ATOM 1007 CD GLU A 154 37.868 -7.964 16.335 1.00 49.73 C ATOM 1008 OE1 GLU A 154 38.927 -7.300 16.391 1.00 50.81 O ATOM 1009 OE2 GLU A 154 37.798 -9.087 15.789 1.00 50.42 O ATOM 0 H GLU A 154 37.445 -4.195 15.200 1.00 40.21 H new ATOM 0 HA GLU A 154 36.618 -6.563 14.529 1.00 39.13 H new ATOM 0 HB2 GLU A 154 37.095 -5.381 16.845 1.00 42.33 H new ATOM 0 HB3 GLU A 154 35.554 -5.615 16.915 1.00 42.33 H new ATOM 0 HG2 GLU A 154 36.690 -7.400 17.927 1.00 47.89 H new ATOM 0 HG3 GLU A 154 35.846 -7.917 16.721 1.00 47.89 H new ATOM 1010 N THR A 155 34.294 -4.433 14.627 1.00 32.32 N ATOM 1011 CA THR A 155 32.904 -4.195 14.296 1.00 30.27 C ATOM 1012 C THR A 155 32.707 -3.738 12.854 1.00 31.15 C ATOM 1013 O THR A 155 31.598 -3.364 12.457 1.00 29.01 O ATOM 1014 CB THR A 155 32.324 -3.139 15.235 1.00 29.94 C ATOM 1015 OG1 THR A 155 33.008 -1.895 15.037 1.00 30.90 O ATOM 1016 CG2 THR A 155 32.503 -3.571 16.679 1.00 28.50 C ATOM 0 H THR A 155 34.737 -3.727 14.838 1.00 32.32 H new ATOM 0 HA THR A 155 32.442 -5.042 14.401 1.00 30.27 H new ATOM 0 HB THR A 155 31.379 -3.034 15.043 1.00 29.94 H new ATOM 0 HG1 THR A 155 32.785 -1.354 15.639 1.00 30.90 H new ATOM 0 HG21 THR A 155 32.132 -2.895 17.268 1.00 28.50 H new ATOM 0 HG22 THR A 155 32.044 -4.413 16.824 1.00 28.50 H new ATOM 0 HG23 THR A 155 33.448 -3.682 16.869 1.00 28.50 H new ATOM 1017 N ALA A 156 33.784 -3.780 12.073 1.00 30.61 N ATOM 1018 CA ALA A 156 33.754 -3.359 10.674 1.00 31.95 C ATOM 1019 C ALA A 156 32.616 -3.966 9.849 1.00 31.38 C ATOM 1020 O ALA A 156 31.823 -3.247 9.246 1.00 31.10 O ATOM 1021 CB ALA A 156 35.094 -3.679 10.006 1.00 30.20 C ATOM 0 H ALA A 156 34.554 -4.054 12.340 1.00 30.61 H new ATOM 0 HA ALA A 156 33.591 -2.403 10.693 1.00 31.95 H new ATOM 0 HB1 ALA A 156 35.069 -3.398 9.078 1.00 30.20 H new ATOM 0 HB2 ALA A 156 35.806 -3.208 10.467 1.00 30.20 H new ATOM 0 HB3 ALA A 156 35.258 -4.634 10.049 1.00 30.20 H new ATOM 1022 N LEU A 157 32.538 -5.289 9.822 1.00 30.94 N ATOM 1023 CA LEU A 157 31.512 -5.951 9.036 1.00 33.31 C ATOM 1024 C LEU A 157 30.080 -5.525 9.359 1.00 33.83 C ATOM 1025 O LEU A 157 29.333 -5.150 8.455 1.00 35.49 O ATOM 1026 CB LEU A 157 31.637 -7.470 9.164 1.00 34.10 C ATOM 1027 CG LEU A 157 30.546 -8.237 8.411 1.00 35.10 C ATOM 1028 CD1 LEU A 157 30.534 -7.798 6.960 1.00 37.35 C ATOM 1029 CD2 LEU A 157 30.784 -9.729 8.517 1.00 36.57 C ATOM 0 H LEU A 157 33.066 -5.817 10.249 1.00 30.94 H new ATOM 0 HA LEU A 157 31.674 -5.669 8.122 1.00 33.31 H new ATOM 0 HB2 LEU A 157 32.505 -7.745 8.830 1.00 34.10 H new ATOM 0 HB3 LEU A 157 31.604 -7.712 10.103 1.00 34.10 H new ATOM 0 HG LEU A 157 29.682 -8.042 8.807 1.00 35.10 H new ATOM 0 HD11 LEU A 157 29.844 -8.283 6.481 1.00 37.35 H new ATOM 0 HD12 LEU A 157 30.354 -6.846 6.911 1.00 37.35 H new ATOM 0 HD13 LEU A 157 31.397 -7.984 6.558 1.00 37.35 H new ATOM 0 HD21 LEU A 157 30.087 -10.203 8.037 1.00 36.57 H new ATOM 0 HD22 LEU A 157 31.647 -9.947 8.132 1.00 36.57 H new ATOM 0 HD23 LEU A 157 30.770 -9.994 9.450 1.00 36.57 H new ATOM 1030 N ILE A 158 29.698 -5.578 10.634 1.00 31.49 N ATOM 1031 CA ILE A 158 28.341 -5.209 11.031 1.00 29.50 C ATOM 1032 C ILE A 158 27.994 -3.791 10.588 1.00 29.27 C ATOM 1033 O ILE A 158 26.942 -3.560 9.992 1.00 28.16 O ATOM 1034 CB ILE A 158 28.133 -5.333 12.575 1.00 28.75 C ATOM 1035 CG1 ILE A 158 26.643 -5.227 12.906 1.00 27.68 C ATOM 1036 CG2 ILE A 158 28.899 -4.236 13.323 1.00 25.56 C ATOM 1037 CD1 ILE A 158 25.817 -6.383 12.386 1.00 26.65 C ATOM 0 H ILE A 158 30.207 -5.824 11.282 1.00 31.49 H new ATOM 0 HA ILE A 158 27.747 -5.834 10.586 1.00 29.50 H new ATOM 0 HB ILE A 158 28.474 -6.196 12.858 1.00 28.75 H new ATOM 0 HG12 ILE A 158 26.537 -5.173 13.869 1.00 27.68 H new ATOM 0 HG13 ILE A 158 26.296 -4.400 12.535 1.00 27.68 H new ATOM 0 HG21 ILE A 158 28.755 -4.334 14.277 1.00 25.56 H new ATOM 0 HG22 ILE A 158 29.846 -4.314 13.130 1.00 25.56 H new ATOM 0 HG23 ILE A 158 28.581 -3.366 13.036 1.00 25.56 H new ATOM 0 HD11 ILE A 158 24.887 -6.252 12.630 1.00 26.65 H new ATOM 0 HD12 ILE A 158 25.894 -6.427 11.420 1.00 26.65 H new ATOM 0 HD13 ILE A 158 26.139 -7.212 12.774 1.00 26.65 H new ATOM 1038 N TRP A 159 28.884 -2.845 10.876 1.00 27.97 N ATOM 1039 CA TRP A 159 28.662 -1.454 10.502 1.00 25.78 C ATOM 1040 C TRP A 159 28.582 -1.345 8.989 1.00 25.37 C ATOM 1041 O TRP A 159 27.811 -0.549 8.443 1.00 23.68 O ATOM 1042 CB TRP A 159 29.791 -0.577 11.030 1.00 25.45 C ATOM 1043 CG TRP A 159 29.512 -0.058 12.390 1.00 21.48 C ATOM 1044 CD1 TRP A 159 30.150 -0.392 13.549 1.00 21.79 C ATOM 1045 CD2 TRP A 159 28.523 0.909 12.735 1.00 21.20 C ATOM 1046 NE1 TRP A 159 29.618 0.318 14.600 1.00 21.51 N ATOM 1047 CE2 TRP A 159 28.617 1.125 14.127 1.00 20.40 C ATOM 1048 CE3 TRP A 159 27.560 1.619 12.000 1.00 19.98 C ATOM 1049 CZ2 TRP A 159 27.786 2.024 14.801 1.00 19.86 C ATOM 1050 CZ3 TRP A 159 26.734 2.508 12.667 1.00 20.15 C ATOM 1051 CH2 TRP A 159 26.851 2.704 14.054 1.00 19.96 C ATOM 0 H TRP A 159 29.624 -2.990 11.289 1.00 27.97 H new ATOM 0 HA TRP A 159 27.828 -1.149 10.892 1.00 25.78 H new ATOM 0 HB2 TRP A 159 30.615 -1.088 11.044 1.00 25.45 H new ATOM 0 HB3 TRP A 159 29.930 0.168 10.424 1.00 25.45 H new ATOM 0 HD1 TRP A 159 30.843 -1.009 13.618 1.00 21.79 H new ATOM 0 HE1 TRP A 159 29.872 0.264 15.420 1.00 21.51 H new ATOM 0 HE3 TRP A 159 27.478 1.494 11.082 1.00 19.98 H new ATOM 0 HZ2 TRP A 159 27.862 2.158 15.718 1.00 19.86 H new ATOM 0 HZ3 TRP A 159 26.092 2.983 12.190 1.00 20.15 H new ATOM 0 HH2 TRP A 159 26.283 3.307 14.477 1.00 19.96 H new ATOM 1052 N LYS A 160 29.389 -2.149 8.316 1.00 22.99 N ATOM 1053 CA LYS A 160 29.373 -2.159 6.870 1.00 25.92 C ATOM 1054 C LYS A 160 27.966 -2.530 6.397 1.00 25.31 C ATOM 1055 O LYS A 160 27.422 -1.893 5.493 1.00 25.68 O ATOM 1056 CB LYS A 160 30.382 -3.172 6.336 1.00 25.48 C ATOM 1057 CG LYS A 160 30.106 -3.605 4.913 1.00 31.49 C ATOM 1058 CD LYS A 160 31.339 -3.511 4.047 1.00 35.32 C ATOM 1059 CE LYS A 160 31.058 -4.056 2.666 1.00 38.41 C ATOM 1060 NZ LYS A 160 32.188 -3.786 1.746 1.00 42.49 N ATOM 0 H LYS A 160 29.949 -2.692 8.677 1.00 22.99 H new ATOM 0 HA LYS A 160 29.615 -1.281 6.537 1.00 25.92 H new ATOM 0 HB2 LYS A 160 31.271 -2.788 6.383 1.00 25.48 H new ATOM 0 HB3 LYS A 160 30.380 -3.954 6.911 1.00 25.48 H new ATOM 0 HG2 LYS A 160 29.779 -4.518 4.911 1.00 31.49 H new ATOM 0 HG3 LYS A 160 29.404 -3.051 4.537 1.00 31.49 H new ATOM 0 HD2 LYS A 160 31.627 -2.587 3.984 1.00 35.32 H new ATOM 0 HD3 LYS A 160 32.066 -4.007 4.455 1.00 35.32 H new ATOM 0 HE2 LYS A 160 30.901 -5.012 2.718 1.00 38.41 H new ATOM 0 HE3 LYS A 160 30.248 -3.654 2.315 1.00 38.41 H new ATOM 0 HZ1 LYS A 160 32.001 -4.115 0.941 1.00 42.49 H new ATOM 0 HZ2 LYS A 160 32.318 -2.908 1.684 1.00 42.49 H new ATOM 0 HZ3 LYS A 160 32.926 -4.173 2.060 1.00 42.49 H new ATOM 1061 N LEU A 161 27.382 -3.554 7.015 1.00 23.64 N ATOM 1062 CA LEU A 161 26.046 -4.007 6.643 1.00 22.12 C ATOM 1063 C LEU A 161 24.999 -2.969 7.012 1.00 21.48 C ATOM 1064 O LEU A 161 24.054 -2.732 6.257 1.00 20.69 O ATOM 1065 CB LEU A 161 25.728 -5.334 7.327 1.00 24.61 C ATOM 1066 CG LEU A 161 26.652 -6.501 6.973 1.00 24.42 C ATOM 1067 CD1 LEU A 161 26.243 -7.742 7.767 1.00 27.47 C ATOM 1068 CD2 LEU A 161 26.575 -6.778 5.483 1.00 27.18 C ATOM 0 H LEU A 161 27.745 -4.001 7.654 1.00 23.64 H new ATOM 0 HA LEU A 161 26.027 -4.133 5.681 1.00 22.12 H new ATOM 0 HB2 LEU A 161 25.758 -5.199 8.287 1.00 24.61 H new ATOM 0 HB3 LEU A 161 24.818 -5.584 7.104 1.00 24.61 H new ATOM 0 HG LEU A 161 27.566 -6.272 7.202 1.00 24.42 H new ATOM 0 HD11 LEU A 161 26.831 -8.480 7.540 1.00 27.47 H new ATOM 0 HD12 LEU A 161 26.310 -7.556 8.717 1.00 27.47 H new ATOM 0 HD13 LEU A 161 25.328 -7.979 7.549 1.00 27.47 H new ATOM 0 HD21 LEU A 161 27.161 -7.518 5.261 1.00 27.18 H new ATOM 0 HD22 LEU A 161 25.663 -7.005 5.243 1.00 27.18 H new ATOM 0 HD23 LEU A 161 26.851 -5.988 4.992 1.00 27.18 H new ATOM 1069 N VAL A 162 25.172 -2.351 8.174 1.00 19.63 N ATOM 1070 CA VAL A 162 24.250 -1.326 8.632 1.00 21.23 C ATOM 1071 C VAL A 162 24.283 -0.142 7.667 1.00 21.44 C ATOM 1072 O VAL A 162 23.234 0.368 7.267 1.00 18.85 O ATOM 1073 CB VAL A 162 24.617 -0.855 10.057 1.00 21.15 C ATOM 1074 CG1 VAL A 162 23.829 0.396 10.423 1.00 24.64 C ATOM 1075 CG2 VAL A 162 24.319 -1.967 11.057 1.00 23.34 C ATOM 0 H VAL A 162 25.822 -2.513 8.714 1.00 19.63 H new ATOM 0 HA VAL A 162 23.356 -1.701 8.657 1.00 21.23 H new ATOM 0 HB VAL A 162 25.563 -0.643 10.083 1.00 21.15 H new ATOM 0 HG11 VAL A 162 24.069 0.680 11.319 1.00 24.64 H new ATOM 0 HG12 VAL A 162 24.036 1.105 9.794 1.00 24.64 H new ATOM 0 HG13 VAL A 162 22.879 0.202 10.390 1.00 24.64 H new ATOM 0 HG21 VAL A 162 24.550 -1.669 11.951 1.00 23.34 H new ATOM 0 HG22 VAL A 162 23.375 -2.188 11.024 1.00 23.34 H new ATOM 0 HG23 VAL A 162 24.842 -2.753 10.833 1.00 23.34 H new ATOM 1076 N ASP A 163 25.486 0.290 7.287 1.00 22.66 N ATOM 1077 CA ASP A 163 25.615 1.415 6.361 1.00 23.88 C ATOM 1078 C ASP A 163 24.973 1.088 5.011 1.00 23.51 C ATOM 1079 O ASP A 163 24.237 1.899 4.453 1.00 25.18 O ATOM 1080 CB ASP A 163 27.087 1.783 6.138 1.00 25.37 C ATOM 1081 CG ASP A 163 27.700 2.512 7.322 1.00 26.85 C ATOM 1082 OD1 ASP A 163 27.022 3.382 7.915 1.00 28.03 O ATOM 1083 OD2 ASP A 163 28.871 2.223 7.647 1.00 28.04 O ATOM 0 H ASP A 163 26.231 -0.050 7.550 1.00 22.66 H new ATOM 0 HA ASP A 163 25.156 2.170 6.762 1.00 23.88 H new ATOM 0 HB2 ASP A 163 27.595 0.975 5.963 1.00 25.37 H new ATOM 0 HB3 ASP A 163 27.160 2.341 5.348 1.00 25.37 H new ATOM 1084 N GLU A 164 25.247 -0.101 4.490 1.00 22.12 N ATOM 1085 CA GLU A 164 24.681 -0.484 3.208 1.00 23.49 C ATOM 1086 C GLU A 164 23.156 -0.573 3.322 1.00 23.14 C ATOM 1087 O GLU A 164 22.434 -0.261 2.371 1.00 21.69 O ATOM 1088 CB GLU A 164 25.296 -1.811 2.735 1.00 24.53 C ATOM 1089 CG GLU A 164 26.829 -1.748 2.634 1.00 28.16 C ATOM 1090 CD GLU A 164 27.487 -3.051 2.186 1.00 31.37 C ATOM 1091 OE1 GLU A 164 27.010 -4.144 2.569 1.00 31.31 O ATOM 1092 OE2 GLU A 164 28.510 -2.980 1.464 1.00 31.93 O ATOM 0 H GLU A 164 25.751 -0.692 4.858 1.00 22.12 H new ATOM 0 HA GLU A 164 24.892 0.190 2.543 1.00 23.49 H new ATOM 0 HB2 GLU A 164 25.044 -2.518 3.350 1.00 24.53 H new ATOM 0 HB3 GLU A 164 24.927 -2.044 1.869 1.00 24.53 H new ATOM 0 HG2 GLU A 164 27.072 -1.045 2.011 1.00 28.16 H new ATOM 0 HG3 GLU A 164 27.189 -1.498 3.499 1.00 28.16 H new ATOM 1093 N ALA A 165 22.664 -0.984 4.491 1.00 23.34 N ATOM 1094 CA ALA A 165 21.218 -1.081 4.707 1.00 23.04 C ATOM 1095 C ALA A 165 20.621 0.318 4.630 1.00 21.97 C ATOM 1096 O ALA A 165 19.617 0.544 3.953 1.00 21.01 O ATOM 1097 CB ALA A 165 20.921 -1.700 6.069 1.00 22.37 C ATOM 0 H ALA A 165 23.145 -1.210 5.167 1.00 23.34 H new ATOM 0 HA ALA A 165 20.826 -1.649 4.025 1.00 23.04 H new ATOM 0 HB1 ALA A 165 19.961 -1.757 6.196 1.00 22.37 H new ATOM 0 HB2 ALA A 165 21.306 -2.589 6.111 1.00 22.37 H new ATOM 0 HB3 ALA A 165 21.307 -1.148 6.767 1.00 22.37 H new ATOM 1098 N GLU A 166 21.245 1.258 5.335 1.00 23.43 N ATOM 1099 CA GLU A 166 20.787 2.643 5.322 1.00 24.26 C ATOM 1100 C GLU A 166 20.828 3.180 3.897 1.00 22.60 C ATOM 1101 O GLU A 166 19.891 3.837 3.445 1.00 22.71 O ATOM 1102 CB GLU A 166 21.676 3.515 6.205 1.00 25.49 C ATOM 1103 CG GLU A 166 21.284 3.551 7.664 1.00 30.24 C ATOM 1104 CD GLU A 166 22.322 4.271 8.505 1.00 34.65 C ATOM 1105 OE1 GLU A 166 22.053 4.553 9.694 1.00 32.67 O ATOM 1106 OE2 GLU A 166 23.418 4.543 7.968 1.00 37.41 O ATOM 0 H GLU A 166 21.935 1.114 5.827 1.00 23.43 H new ATOM 0 HA GLU A 166 19.880 2.668 5.664 1.00 24.26 H new ATOM 0 HB2 GLU A 166 22.590 3.196 6.137 1.00 25.49 H new ATOM 0 HB3 GLU A 166 21.665 4.421 5.858 1.00 25.49 H new ATOM 0 HG2 GLU A 166 20.426 3.994 7.758 1.00 30.24 H new ATOM 0 HG3 GLU A 166 21.173 2.645 7.992 1.00 30.24 H new ATOM 1107 N GLU A 167 21.926 2.896 3.203 1.00 21.95 N ATOM 1108 CA GLU A 167 22.108 3.347 1.829 1.00 22.64 C ATOM 1109 C GLU A 167 20.978 2.823 0.957 1.00 23.46 C ATOM 1110 O GLU A 167 20.447 3.554 0.119 1.00 23.64 O ATOM 1111 CB GLU A 167 23.459 2.865 1.290 1.00 21.71 C ATOM 1112 CG GLU A 167 23.789 3.332 -0.121 1.00 22.27 C ATOM 1113 CD GLU A 167 23.657 4.834 -0.286 1.00 25.15 C ATOM 1114 OE1 GLU A 167 24.181 5.581 0.571 1.00 26.50 O ATOM 1115 OE2 GLU A 167 23.032 5.266 -1.279 1.00 26.08 O ATOM 0 H GLU A 167 22.584 2.438 3.515 1.00 21.95 H new ATOM 0 HA GLU A 167 22.094 4.317 1.812 1.00 22.64 H new ATOM 0 HB2 GLU A 167 24.159 3.169 1.889 1.00 21.71 H new ATOM 0 HB3 GLU A 167 23.472 1.895 1.307 1.00 21.71 H new ATOM 0 HG2 GLU A 167 24.695 3.064 -0.343 1.00 22.27 H new ATOM 0 HG3 GLU A 167 23.200 2.888 -0.751 1.00 22.27 H new ATOM 1116 N TRP A 168 20.600 1.562 1.156 1.00 23.85 N ATOM 1117 CA TRP A 168 19.519 0.988 0.361 1.00 24.05 C ATOM 1118 C TRP A 168 18.226 1.746 0.635 1.00 24.22 C ATOM 1119 O TRP A 168 17.473 2.074 -0.287 1.00 23.69 O ATOM 1120 CB TRP A 168 19.301 -0.488 0.698 1.00 25.43 C ATOM 1121 CG TRP A 168 18.296 -1.131 -0.208 1.00 25.16 C ATOM 1122 CD1 TRP A 168 18.539 -1.696 -1.422 1.00 25.98 C ATOM 1123 CD2 TRP A 168 16.880 -1.223 0.001 1.00 25.39 C ATOM 1124 NE1 TRP A 168 17.369 -2.136 -1.985 1.00 25.58 N ATOM 1125 CE2 TRP A 168 16.333 -1.859 -1.134 1.00 26.96 C ATOM 1126 CE3 TRP A 168 16.020 -0.828 1.036 1.00 24.97 C ATOM 1127 CZ2 TRP A 168 14.959 -2.112 -1.267 1.00 26.87 C ATOM 1128 CZ3 TRP A 168 14.652 -1.080 0.906 1.00 24.02 C ATOM 1129 CH2 TRP A 168 14.138 -1.716 -0.238 1.00 26.61 C ATOM 0 H TRP A 168 20.949 1.031 1.735 1.00 23.85 H new ATOM 0 HA TRP A 168 19.767 1.061 -0.574 1.00 24.05 H new ATOM 0 HB2 TRP A 168 20.145 -0.962 0.631 1.00 25.43 H new ATOM 0 HB3 TRP A 168 19.003 -0.568 1.618 1.00 25.43 H new ATOM 0 HD1 TRP A 168 19.379 -1.773 -1.814 1.00 25.98 H new ATOM 0 HE1 TRP A 168 17.297 -2.523 -2.749 1.00 25.58 H new ATOM 0 HE3 TRP A 168 16.354 -0.406 1.795 1.00 24.97 H new ATOM 0 HZ2 TRP A 168 14.617 -2.532 -2.023 1.00 26.87 H new ATOM 0 HZ3 TRP A 168 14.072 -0.823 1.586 1.00 24.02 H new ATOM 0 HH2 TRP A 168 13.223 -1.872 -0.300 1.00 26.61 H new ATOM 1130 N LEU A 169 17.971 2.014 1.912 1.00 22.15 N ATOM 1131 CA LEU A 169 16.768 2.728 2.319 1.00 24.40 C ATOM 1132 C LEU A 169 16.672 4.105 1.669 1.00 25.72 C ATOM 1133 O LEU A 169 15.591 4.540 1.268 1.00 24.78 O ATOM 1134 CB LEU A 169 16.739 2.887 3.842 1.00 24.01 C ATOM 1135 CG LEU A 169 16.442 1.635 4.669 1.00 22.78 C ATOM 1136 CD1 LEU A 169 16.528 1.962 6.163 1.00 22.70 C ATOM 1137 CD2 LEU A 169 15.053 1.123 4.314 1.00 21.20 C ATOM 0 H LEU A 169 18.487 1.789 2.562 1.00 22.15 H new ATOM 0 HA LEU A 169 16.009 2.201 2.024 1.00 24.40 H new ATOM 0 HB2 LEU A 169 17.598 3.237 4.124 1.00 24.01 H new ATOM 0 HB3 LEU A 169 16.073 3.558 4.062 1.00 24.01 H new ATOM 0 HG LEU A 169 17.096 0.947 4.470 1.00 22.78 H new ATOM 0 HD11 LEU A 169 16.339 1.164 6.681 1.00 22.70 H new ATOM 0 HD12 LEU A 169 17.420 2.280 6.374 1.00 22.70 H new ATOM 0 HD13 LEU A 169 15.880 2.650 6.382 1.00 22.70 H new ATOM 0 HD21 LEU A 169 14.858 0.328 4.835 1.00 21.20 H new ATOM 0 HD22 LEU A 169 14.395 1.808 4.511 1.00 21.20 H new ATOM 0 HD23 LEU A 169 15.020 0.906 3.369 1.00 21.20 H new ATOM 1138 N ASN A 170 17.812 4.782 1.577 1.00 26.76 N ATOM 1139 CA ASN A 170 17.886 6.117 0.996 1.00 29.41 C ATOM 1140 C ASN A 170 17.919 6.146 -0.533 1.00 30.56 C ATOM 1141 O ASN A 170 17.995 7.223 -1.129 1.00 32.35 O ATOM 1142 CB ASN A 170 19.115 6.841 1.551 1.00 29.56 C ATOM 1143 CG ASN A 170 18.921 7.292 2.985 1.00 30.79 C ATOM 1144 OD1 ASN A 170 17.699 7.683 3.316 1.00 33.55 O flip ATOM 1145 ND2 ASN A 170 19.857 7.300 3.782 1.00 30.92 N flip ATOM 0 H ASN A 170 18.568 4.478 1.851 1.00 26.76 H new ATOM 0 HA ASN A 170 17.065 6.567 1.249 1.00 29.41 H new ATOM 0 HB2 ASN A 170 19.884 6.252 1.501 1.00 29.56 H new ATOM 0 HB3 ASN A 170 19.311 7.612 0.996 1.00 29.56 H new ATOM 0 HD21 ASN A 170 20.637 7.039 3.532 1.00 30.92 H new ATOM 0 HD22 ASN A 170 19.732 7.567 4.590 1.00 30.92 H new ATOM 1146 N THR A 171 17.857 4.977 -1.168 1.00 29.08 N ATOM 1147 CA THR A 171 17.880 4.906 -2.626 1.00 28.46 C ATOM 1148 C THR A 171 16.741 4.078 -3.207 1.00 28.46 C ATOM 1149 O THR A 171 16.726 3.792 -4.402 1.00 29.32 O ATOM 1150 CB THR A 171 19.205 4.310 -3.148 1.00 28.05 C ATOM 1151 OG1 THR A 171 19.430 3.026 -2.550 1.00 25.09 O ATOM 1152 CG2 THR A 171 20.365 5.237 -2.830 1.00 30.29 C ATOM 0 H THR A 171 17.801 4.215 -0.773 1.00 29.08 H new ATOM 0 HA THR A 171 17.781 5.826 -2.917 1.00 28.46 H new ATOM 0 HB THR A 171 19.143 4.209 -4.111 1.00 28.05 H new ATOM 0 HG1 THR A 171 18.696 2.629 -2.453 1.00 25.09 H new ATOM 0 HG21 THR A 171 21.190 4.850 -3.163 1.00 30.29 H new ATOM 0 HG22 THR A 171 20.218 6.097 -3.253 1.00 30.29 H new ATOM 0 HG23 THR A 171 20.430 5.357 -1.870 1.00 30.29 H new ATOM 1153 N HIS A 172 15.795 3.680 -2.367 1.00 26.77 N ATOM 1154 CA HIS A 172 14.675 2.889 -2.839 1.00 25.39 C ATOM 1155 C HIS A 172 13.396 3.324 -2.157 1.00 26.34 C ATOM 1156 O HIS A 172 13.424 4.041 -1.155 1.00 29.11 O ATOM 1157 CB HIS A 172 14.919 1.401 -2.582 1.00 25.40 C ATOM 1158 CG HIS A 172 16.089 0.849 -3.328 1.00 26.07 C ATOM 1159 ND1 HIS A 172 17.384 1.255 -3.084 1.00 26.84 N ATOM 1160 CD2 HIS A 172 16.157 -0.034 -4.352 1.00 25.96 C ATOM 1161 CE1 HIS A 172 18.198 0.648 -3.929 1.00 26.70 C ATOM 1162 NE2 HIS A 172 17.479 -0.139 -4.709 1.00 26.43 N ATOM 0 H HIS A 172 15.785 3.857 -1.526 1.00 26.77 H new ATOM 0 HA HIS A 172 14.587 3.031 -3.795 1.00 25.39 H new ATOM 0 HB2 HIS A 172 15.057 1.263 -1.632 1.00 25.40 H new ATOM 0 HB3 HIS A 172 14.124 0.903 -2.829 1.00 25.40 H new ATOM 0 HD2 HIS A 172 15.443 -0.485 -4.741 1.00 25.96 H new ATOM 0 HE1 HIS A 172 19.121 0.756 -3.968 1.00 26.70 H new ATOM 0 HE2 HIS A 172 17.789 -0.637 -5.338 1.00 26.43 H new ATOM 1163 N THR A 173 12.275 2.880 -2.703 1.00 24.43 N ATOM 1164 CA THR A 173 10.974 3.224 -2.158 1.00 25.70 C ATOM 1165 C THR A 173 10.190 1.956 -1.858 1.00 25.09 C ATOM 1166 O THR A 173 10.493 0.888 -2.397 1.00 24.46 O ATOM 1167 CB THR A 173 10.176 4.072 -3.151 1.00 25.52 C ATOM 1168 OG1 THR A 173 10.015 3.340 -4.374 1.00 24.95 O ATOM 1169 CG2 THR A 173 10.901 5.378 -3.428 1.00 25.45 C ATOM 0 H THR A 173 12.247 2.373 -3.397 1.00 24.43 H new ATOM 0 HA THR A 173 11.113 3.733 -1.344 1.00 25.70 H new ATOM 0 HB THR A 173 9.306 4.273 -2.772 1.00 25.52 H new ATOM 0 HG1 THR A 173 9.314 2.878 -4.334 1.00 24.95 H new ATOM 0 HG21 THR A 173 10.387 5.907 -4.058 1.00 25.45 H new ATOM 0 HG22 THR A 173 11.005 5.873 -2.600 1.00 25.45 H new ATOM 0 HG23 THR A 173 11.775 5.190 -3.803 1.00 25.45 H new ATOM 1170 N TYR A 174 9.180 2.093 -1.001 1.00 24.24 N ATOM 1171 CA TYR A 174 8.335 0.975 -0.592 1.00 24.40 C ATOM 1172 C TYR A 174 7.124 1.459 0.204 1.00 23.29 C ATOM 1173 O TYR A 174 7.161 2.519 0.836 1.00 21.03 O ATOM 1174 CB TYR A 174 9.148 0.005 0.262 1.00 24.33 C ATOM 1175 CG TYR A 174 9.760 0.644 1.487 1.00 26.78 C ATOM 1176 CD1 TYR A 174 9.057 0.717 2.693 1.00 27.32 C ATOM 1177 CD2 TYR A 174 11.048 1.177 1.443 1.00 28.34 C ATOM 1178 CE1 TYR A 174 9.628 1.301 3.828 1.00 28.51 C ATOM 1179 CE2 TYR A 174 11.624 1.768 2.570 1.00 29.74 C ATOM 1180 CZ TYR A 174 10.912 1.822 3.755 1.00 29.70 C ATOM 1181 OH TYR A 174 11.496 2.385 4.867 1.00 33.74 O ATOM 0 H TYR A 174 8.965 2.843 -0.639 1.00 24.24 H new ATOM 0 HA TYR A 174 8.016 0.528 -1.392 1.00 24.40 H new ATOM 0 HB2 TYR A 174 8.576 -0.727 0.540 1.00 24.33 H new ATOM 0 HB3 TYR A 174 9.855 -0.378 -0.281 1.00 24.33 H new ATOM 0 HD1 TYR A 174 8.195 0.371 2.741 1.00 27.32 H new ATOM 0 HD2 TYR A 174 11.532 1.138 0.650 1.00 28.34 H new ATOM 0 HE1 TYR A 174 9.151 1.340 4.625 1.00 28.51 H new ATOM 0 HE2 TYR A 174 12.482 2.124 2.524 1.00 29.74 H new ATOM 0 HH TYR A 174 12.268 2.654 4.673 1.00 33.74 H new ATOM 1182 N GLU A 175 6.053 0.675 0.180 1.00 22.94 N ATOM 1183 CA GLU A 175 4.838 1.033 0.909 1.00 23.03 C ATOM 1184 C GLU A 175 4.626 0.044 2.058 1.00 22.30 C ATOM 1185 O GLU A 175 3.690 0.175 2.849 1.00 21.05 O ATOM 1186 CB GLU A 175 3.621 1.000 -0.025 1.00 23.53 C ATOM 1187 CG GLU A 175 3.708 1.907 -1.238 0.50 25.23 C ATOM 1188 CD GLU A 175 4.616 1.356 -2.315 0.50 27.62 C ATOM 1189 OE1 GLU A 175 4.440 0.181 -2.706 0.50 28.92 O ATOM 1190 OE2 GLU A 175 5.503 2.102 -2.779 0.50 29.61 O ATOM 0 H GLU A 175 6.007 -0.068 -0.251 1.00 22.94 H new ATOM 0 HA GLU A 175 4.937 1.932 1.260 1.00 23.03 H new ATOM 0 HB2 GLU A 175 3.491 0.088 -0.330 1.00 23.53 H new ATOM 0 HB3 GLU A 175 2.833 1.243 0.486 1.00 23.53 H new ATOM 0 HG2 GLU A 175 2.819 2.037 -1.605 0.50 25.23 H new ATOM 0 HG3 GLU A 175 4.031 2.779 -0.963 0.50 25.23 H new ATOM 1191 N THR A 176 5.512 -0.944 2.126 1.00 21.84 N ATOM 1192 CA THR A 176 5.474 -1.985 3.143 1.00 20.48 C ATOM 1193 C THR A 176 5.232 -1.485 4.564 1.00 20.78 C ATOM 1194 O THR A 176 6.064 -0.788 5.133 1.00 19.40 O ATOM 1195 CB THR A 176 6.791 -2.764 3.170 1.00 19.08 C ATOM 1196 OG1 THR A 176 7.073 -3.270 1.862 1.00 19.67 O ATOM 1197 CG2 THR A 176 6.704 -3.915 4.158 1.00 16.87 C ATOM 0 H THR A 176 6.164 -1.029 1.571 1.00 21.84 H new ATOM 0 HA THR A 176 4.720 -2.538 2.884 1.00 20.48 H new ATOM 0 HB THR A 176 7.504 -2.168 3.449 1.00 19.08 H new ATOM 0 HG1 THR A 176 6.615 -3.960 1.723 1.00 19.67 H new ATOM 0 HG21 THR A 176 7.544 -4.400 4.165 1.00 16.87 H new ATOM 0 HG22 THR A 176 6.524 -3.567 5.045 1.00 16.87 H new ATOM 0 HG23 THR A 176 5.988 -4.514 3.895 1.00 16.87 H new ATOM 1198 N PRO A 177 4.081 -1.839 5.155 1.00 20.70 N ATOM 1199 CA PRO A 177 3.795 -1.400 6.525 1.00 20.13 C ATOM 1200 C PRO A 177 4.726 -2.158 7.473 1.00 19.19 C ATOM 1201 O PRO A 177 4.885 -3.372 7.351 1.00 19.77 O ATOM 1202 CB PRO A 177 2.334 -1.814 6.734 1.00 19.71 C ATOM 1203 CG PRO A 177 1.776 -1.869 5.353 1.00 22.23 C ATOM 1204 CD PRO A 177 2.906 -2.492 4.557 1.00 20.28 C ATOM 0 HA PRO A 177 3.928 -0.452 6.683 1.00 20.13 H new ATOM 0 HB2 PRO A 177 2.268 -2.674 7.179 1.00 19.71 H new ATOM 0 HB3 PRO A 177 1.858 -1.173 7.285 1.00 19.71 H new ATOM 0 HG2 PRO A 177 0.969 -2.406 5.312 1.00 22.23 H new ATOM 0 HG3 PRO A 177 1.547 -0.986 5.022 1.00 22.23 H new ATOM 0 HD2 PRO A 177 2.934 -3.456 4.657 1.00 20.28 H new ATOM 0 HD3 PRO A 177 2.829 -2.307 3.608 1.00 20.28 H new ATOM 1205 N ILE A 178 5.361 -1.447 8.396 1.00 18.63 N ATOM 1206 CA ILE A 178 6.235 -2.095 9.359 1.00 17.61 C ATOM 1207 C ILE A 178 5.492 -2.051 10.686 1.00 15.71 C ATOM 1208 O ILE A 178 5.371 -1.008 11.322 1.00 14.36 O ATOM 1209 CB ILE A 178 7.589 -1.386 9.442 1.00 18.71 C ATOM 1210 CG1 ILE A 178 8.235 -1.401 8.051 1.00 21.09 C ATOM 1211 CG2 ILE A 178 8.485 -2.101 10.449 1.00 17.83 C ATOM 1212 CD1 ILE A 178 9.582 -0.745 7.964 1.00 22.80 C ATOM 0 H ILE A 178 5.299 -0.593 8.481 1.00 18.63 H new ATOM 0 HA ILE A 178 6.435 -3.009 9.102 1.00 17.61 H new ATOM 0 HB ILE A 178 7.468 -0.469 9.735 1.00 18.71 H new ATOM 0 HG12 ILE A 178 8.321 -2.322 7.760 1.00 21.09 H new ATOM 0 HG13 ILE A 178 7.636 -0.961 7.427 1.00 21.09 H new ATOM 0 HG21 ILE A 178 9.342 -1.649 10.499 1.00 17.83 H new ATOM 0 HG22 ILE A 178 8.063 -2.090 11.322 1.00 17.83 H new ATOM 0 HG23 ILE A 178 8.620 -3.019 10.167 1.00 17.83 H new ATOM 0 HD11 ILE A 178 9.912 -0.802 7.053 1.00 22.80 H new ATOM 0 HD12 ILE A 178 9.506 0.187 8.222 1.00 22.80 H new ATOM 0 HD13 ILE A 178 10.201 -1.196 8.560 1.00 22.80 H new ATOM 1213 N LEU A 179 4.987 -3.210 11.078 1.00 14.76 N ATOM 1214 CA LEU A 179 4.176 -3.354 12.271 1.00 14.76 C ATOM 1215 C LEU A 179 4.890 -3.879 13.507 1.00 14.99 C ATOM 1216 O LEU A 179 5.813 -4.693 13.411 1.00 14.45 O ATOM 1217 CB LEU A 179 3.005 -4.273 11.939 1.00 12.41 C ATOM 1218 CG LEU A 179 2.324 -3.991 10.592 1.00 14.41 C ATOM 1219 CD1 LEU A 179 1.272 -5.073 10.307 1.00 13.80 C ATOM 1220 CD2 LEU A 179 1.670 -2.622 10.612 1.00 12.42 C ATOM 0 H LEU A 179 5.109 -3.946 10.650 1.00 14.76 H new ATOM 0 HA LEU A 179 3.900 -2.456 12.512 1.00 14.76 H new ATOM 0 HB2 LEU A 179 3.320 -5.190 11.942 1.00 12.41 H new ATOM 0 HB3 LEU A 179 2.342 -4.199 12.644 1.00 12.41 H new ATOM 0 HG LEU A 179 2.994 -4.005 9.890 1.00 14.41 H new ATOM 0 HD11 LEU A 179 0.844 -4.892 9.456 1.00 13.80 H new ATOM 0 HD12 LEU A 179 1.702 -5.942 10.274 1.00 13.80 H new ATOM 0 HD13 LEU A 179 0.605 -5.069 11.011 1.00 13.80 H new ATOM 0 HD21 LEU A 179 1.243 -2.454 9.757 1.00 12.42 H new ATOM 0 HD22 LEU A 179 1.004 -2.592 11.317 1.00 12.42 H new ATOM 0 HD23 LEU A 179 2.344 -1.944 10.775 1.00 12.42 H new ATOM 1221 N LYS A 180 4.428 -3.427 14.671 1.00 15.78 N ATOM 1222 CA LYS A 180 4.998 -3.848 15.947 1.00 17.18 C ATOM 1223 C LYS A 180 4.383 -5.166 16.401 1.00 19.47 C ATOM 1224 O LYS A 180 3.165 -5.258 16.579 1.00 18.89 O ATOM 1225 CB LYS A 180 4.737 -2.775 17.015 1.00 18.62 C ATOM 1226 CG LYS A 180 5.216 -3.140 18.425 1.00 18.49 C ATOM 1227 CD LYS A 180 6.727 -3.304 18.498 1.00 19.06 C ATOM 1228 CE LYS A 180 7.220 -3.473 19.947 1.00 18.73 C ATOM 1229 NZ LYS A 180 6.715 -4.721 20.609 1.00 17.21 N ATOM 0 H LYS A 180 3.777 -2.869 14.742 1.00 15.78 H new ATOM 0 HA LYS A 180 5.953 -3.969 15.829 1.00 17.18 H new ATOM 0 HB2 LYS A 180 5.173 -1.952 16.742 1.00 18.62 H new ATOM 0 HB3 LYS A 180 3.785 -2.594 17.048 1.00 18.62 H new ATOM 0 HG2 LYS A 180 4.937 -2.450 19.048 1.00 18.49 H new ATOM 0 HG3 LYS A 180 4.789 -3.965 18.706 1.00 18.49 H new ATOM 0 HD2 LYS A 180 6.993 -4.076 17.975 1.00 19.06 H new ATOM 0 HD3 LYS A 180 7.155 -2.530 18.100 1.00 19.06 H new ATOM 0 HE2 LYS A 180 8.190 -3.483 19.952 1.00 18.73 H new ATOM 0 HE3 LYS A 180 6.941 -2.704 20.468 1.00 18.73 H new ATOM 0 HZ1 LYS A 180 7.297 -4.986 21.228 1.00 17.21 H new ATOM 0 HZ2 LYS A 180 5.929 -4.556 20.993 1.00 17.21 H new ATOM 0 HZ3 LYS A 180 6.619 -5.362 20.000 1.00 17.21 H new ATOM 1230 N TRP A 181 5.210 -6.191 16.579 1.00 20.37 N ATOM 1231 CA TRP A 181 4.695 -7.473 17.044 1.00 22.76 C ATOM 1232 C TRP A 181 4.574 -7.348 18.558 1.00 24.58 C ATOM 1233 O TRP A 181 5.520 -6.941 19.223 1.00 23.22 O ATOM 1234 CB TRP A 181 5.638 -8.619 16.671 1.00 21.64 C ATOM 1235 CG TRP A 181 5.185 -9.950 17.191 1.00 23.43 C ATOM 1236 CD1 TRP A 181 5.595 -10.568 18.338 1.00 22.79 C ATOM 1237 CD2 TRP A 181 4.222 -10.823 16.587 1.00 23.62 C ATOM 1238 NE1 TRP A 181 4.951 -11.777 18.484 1.00 23.68 N ATOM 1239 CE2 TRP A 181 4.102 -11.956 17.423 1.00 24.45 C ATOM 1240 CE3 TRP A 181 3.447 -10.757 15.420 1.00 24.70 C ATOM 1241 CZ2 TRP A 181 3.237 -13.017 17.128 1.00 24.95 C ATOM 1242 CZ3 TRP A 181 2.585 -11.814 15.126 1.00 22.90 C ATOM 1243 CH2 TRP A 181 2.489 -12.926 15.977 1.00 24.46 C ATOM 0 H TRP A 181 6.058 -6.167 16.439 1.00 20.37 H new ATOM 0 HA TRP A 181 3.841 -7.677 16.631 1.00 22.76 H new ATOM 0 HB2 TRP A 181 5.715 -8.665 15.705 1.00 21.64 H new ATOM 0 HB3 TRP A 181 6.523 -8.427 17.018 1.00 21.64 H new ATOM 0 HD1 TRP A 181 6.219 -10.222 18.935 1.00 22.79 H new ATOM 0 HE1 TRP A 181 5.063 -12.329 19.134 1.00 23.68 H new ATOM 0 HE3 TRP A 181 3.507 -10.022 14.853 1.00 24.70 H new ATOM 0 HZ2 TRP A 181 3.171 -13.756 17.689 1.00 24.95 H new ATOM 0 HZ3 TRP A 181 2.066 -11.781 14.355 1.00 22.90 H new ATOM 0 HH2 TRP A 181 1.906 -13.617 15.758 1.00 24.46 H new ATOM 1244 N GLN A 182 3.406 -7.682 19.095 1.00 25.53 N ATOM 1245 CA GLN A 182 3.183 -7.558 20.528 1.00 28.65 C ATOM 1246 C GLN A 182 3.384 -8.858 21.286 1.00 29.06 C ATOM 1247 O GLN A 182 2.432 -9.595 21.562 1.00 28.36 O ATOM 1248 CB GLN A 182 1.783 -6.997 20.780 1.00 30.54 C ATOM 1249 CG GLN A 182 1.611 -5.590 20.240 1.00 34.96 C ATOM 1250 CD GLN A 182 0.281 -4.972 20.616 1.00 38.79 C ATOM 1251 OE1 GLN A 182 -0.071 -4.898 21.797 1.00 40.92 O ATOM 1252 NE2 GLN A 182 -0.465 -4.514 19.612 1.00 38.45 N ATOM 0 H GLN A 182 2.734 -7.981 18.649 1.00 25.53 H new ATOM 0 HA GLN A 182 3.854 -6.946 20.869 1.00 28.65 H new ATOM 0 HB2 GLN A 182 1.126 -7.580 20.368 1.00 30.54 H new ATOM 0 HB3 GLN A 182 1.605 -6.998 21.734 1.00 30.54 H new ATOM 0 HG2 GLN A 182 2.329 -5.030 20.575 1.00 34.96 H new ATOM 0 HG3 GLN A 182 1.692 -5.607 19.274 1.00 34.96 H new ATOM 0 HE21 GLN A 182 -0.185 -4.584 18.802 1.00 38.45 H new ATOM 0 HE22 GLN A 182 -1.226 -4.148 19.774 1.00 38.45 H new ATOM 1253 N THR A 183 4.638 -9.125 21.630 1.00 29.86 N ATOM 1254 CA THR A 183 5.005 -10.338 22.350 1.00 31.67 C ATOM 1255 C THR A 183 4.192 -10.549 23.625 1.00 32.35 C ATOM 1256 O THR A 183 3.826 -11.673 23.956 1.00 31.52 O ATOM 1257 CB THR A 183 6.499 -10.323 22.727 1.00 32.52 C ATOM 1258 OG1 THR A 183 7.288 -10.036 21.562 1.00 32.85 O ATOM 1259 CG2 THR A 183 6.913 -11.677 23.283 1.00 32.68 C ATOM 0 H THR A 183 5.301 -8.607 21.452 1.00 29.86 H new ATOM 0 HA THR A 183 4.813 -11.069 21.742 1.00 31.67 H new ATOM 0 HB THR A 183 6.643 -9.640 23.401 1.00 32.52 H new ATOM 0 HG1 THR A 183 6.842 -10.209 20.872 1.00 32.85 H new ATOM 0 HG21 THR A 183 7.854 -11.657 23.517 1.00 32.68 H new ATOM 0 HG22 THR A 183 6.388 -11.877 24.074 1.00 32.68 H new ATOM 0 HG23 THR A 183 6.761 -12.362 22.613 1.00 32.68 H new ATOM 1260 N ASP A 184 3.910 -9.467 24.337 1.00 34.76 N ATOM 1261 CA ASP A 184 3.163 -9.559 25.583 1.00 37.67 C ATOM 1262 C ASP A 184 1.721 -10.007 25.370 1.00 37.08 C ATOM 1263 O ASP A 184 1.038 -10.368 26.322 1.00 37.97 O ATOM 1264 CB ASP A 184 3.195 -8.212 26.312 1.00 39.67 C ATOM 1265 CG ASP A 184 2.511 -7.107 25.529 1.00 42.97 C ATOM 1266 OD1 ASP A 184 2.518 -7.168 24.279 1.00 45.64 O ATOM 1267 OD2 ASP A 184 1.977 -6.170 26.160 1.00 43.57 O ATOM 0 H ASP A 184 4.142 -8.669 24.116 1.00 34.76 H new ATOM 0 HA ASP A 184 3.593 -10.237 26.127 1.00 37.67 H new ATOM 0 HB2 ASP A 184 2.764 -8.306 27.176 1.00 39.67 H new ATOM 0 HB3 ASP A 184 4.117 -7.961 26.480 1.00 39.67 H new ATOM 1268 N LYS A 185 1.261 -9.994 24.125 1.00 36.61 N ATOM 1269 CA LYS A 185 -0.106 -10.409 23.834 1.00 36.04 C ATOM 1270 C LYS A 185 -0.194 -11.630 22.925 1.00 34.73 C ATOM 1271 O LYS A 185 -1.087 -12.455 23.083 1.00 33.19 O ATOM 1272 CB LYS A 185 -0.884 -9.273 23.169 1.00 36.25 C ATOM 1273 CG LYS A 185 -1.145 -8.067 24.030 1.00 39.29 C ATOM 1274 CD LYS A 185 -1.874 -7.017 23.203 1.00 41.16 C ATOM 1275 CE LYS A 185 -2.014 -5.696 23.942 1.00 43.30 C ATOM 1276 NZ LYS A 185 -2.569 -4.639 23.043 1.00 44.49 N ATOM 0 H LYS A 185 1.719 -9.751 23.439 1.00 36.61 H new ATOM 0 HA LYS A 185 -0.490 -10.643 24.694 1.00 36.04 H new ATOM 0 HB2 LYS A 185 -0.396 -8.987 22.381 1.00 36.25 H new ATOM 0 HB3 LYS A 185 -1.736 -9.622 22.864 1.00 36.25 H new ATOM 0 HG2 LYS A 185 -1.678 -8.315 24.802 1.00 39.29 H new ATOM 0 HG3 LYS A 185 -0.309 -7.708 24.366 1.00 39.29 H new ATOM 0 HD2 LYS A 185 -1.394 -6.872 22.373 1.00 41.16 H new ATOM 0 HD3 LYS A 185 -2.755 -7.348 22.967 1.00 41.16 H new ATOM 0 HE2 LYS A 185 -2.595 -5.811 24.710 1.00 43.30 H new ATOM 0 HE3 LYS A 185 -1.149 -5.417 24.280 1.00 43.30 H new ATOM 0 HZ1 LYS A 185 -2.752 -3.910 23.519 1.00 44.49 H new ATOM 0 HZ2 LYS A 185 -1.971 -4.440 22.414 1.00 44.49 H new ATOM 0 HZ3 LYS A 185 -3.315 -4.937 22.659 1.00 44.49 H new ATOM 1277 N TRP A 186 0.730 -11.737 21.974 1.00 33.01 N ATOM 1278 CA TRP A 186 0.708 -12.833 21.015 1.00 31.10 C ATOM 1279 C TRP A 186 1.834 -13.844 21.181 1.00 31.19 C ATOM 1280 O TRP A 186 1.969 -14.762 20.373 1.00 30.81 O ATOM 1281 CB TRP A 186 0.752 -12.273 19.585 1.00 31.23 C ATOM 1282 CG TRP A 186 -0.224 -11.164 19.326 1.00 32.48 C ATOM 1283 CD1 TRP A 186 -1.506 -11.078 19.783 1.00 32.62 C ATOM 1284 CD2 TRP A 186 -0.004 -9.989 18.529 1.00 33.36 C ATOM 1285 NE1 TRP A 186 -2.098 -9.927 19.325 1.00 33.05 N ATOM 1286 CE2 TRP A 186 -1.201 -9.240 18.552 1.00 32.94 C ATOM 1287 CE3 TRP A 186 1.087 -9.499 17.798 1.00 33.51 C ATOM 1288 CZ2 TRP A 186 -1.341 -8.021 17.871 1.00 34.85 C ATOM 1289 CZ3 TRP A 186 0.949 -8.282 17.118 1.00 35.11 C ATOM 1290 CH2 TRP A 186 -0.260 -7.559 17.163 1.00 35.29 C ATOM 0 H TRP A 186 1.379 -11.183 21.868 1.00 33.01 H new ATOM 0 HA TRP A 186 -0.118 -13.311 21.187 1.00 31.10 H new ATOM 0 HB2 TRP A 186 1.648 -11.950 19.403 1.00 31.23 H new ATOM 0 HB3 TRP A 186 0.578 -12.995 18.961 1.00 31.23 H new ATOM 0 HD1 TRP A 186 -1.920 -11.709 20.327 1.00 32.62 H new ATOM 0 HE1 TRP A 186 -2.903 -9.678 19.496 1.00 33.05 H new ATOM 0 HE3 TRP A 186 1.887 -9.973 17.765 1.00 33.51 H new ATOM 0 HZ2 TRP A 186 -2.138 -7.543 17.899 1.00 34.85 H new ATOM 0 HZ3 TRP A 186 1.666 -7.946 16.630 1.00 35.11 H new ATOM 0 HH2 TRP A 186 -0.326 -6.753 16.704 1.00 35.29 H new ATOM 1291 N GLY A 187 2.646 -13.682 22.218 1.00 29.63 N ATOM 1292 CA GLY A 187 3.743 -14.608 22.412 1.00 28.53 C ATOM 1293 C GLY A 187 4.929 -14.236 21.541 1.00 28.29 C ATOM 1294 O GLY A 187 4.912 -13.202 20.873 1.00 28.86 O ATOM 0 H GLY A 187 2.580 -13.058 22.806 1.00 29.63 H new ATOM 0 HA2 GLY A 187 4.010 -14.608 23.345 1.00 28.53 H new ATOM 0 HA3 GLY A 187 3.452 -15.509 22.200 1.00 28.53 H new ATOM 1295 N ALA A 188 5.949 -15.089 21.543 1.00 27.14 N ATOM 1296 CA ALA A 188 7.172 -14.870 20.780 1.00 26.40 C ATOM 1297 C ALA A 188 6.934 -14.697 19.286 1.00 25.85 C ATOM 1298 O ALA A 188 6.158 -15.432 18.681 1.00 23.24 O ATOM 1299 CB ALA A 188 8.142 -16.030 21.019 1.00 27.49 C ATOM 0 H ALA A 188 5.949 -15.821 21.994 1.00 27.14 H new ATOM 0 HA ALA A 188 7.552 -14.036 21.097 1.00 26.40 H new ATOM 0 HB1 ALA A 188 8.955 -15.882 20.511 1.00 27.49 H new ATOM 0 HB2 ALA A 188 8.357 -16.083 21.963 1.00 27.49 H new ATOM 0 HB3 ALA A 188 7.730 -16.861 20.735 1.00 27.49 H new ATOM 1300 N ILE A 189 7.617 -13.725 18.691 1.00 25.21 N ATOM 1301 CA ILE A 189 7.465 -13.478 17.269 1.00 23.54 C ATOM 1302 C ILE A 189 7.795 -14.787 16.566 1.00 25.14 C ATOM 1303 O ILE A 189 8.672 -15.531 17.003 1.00 26.29 O ATOM 1304 CB ILE A 189 8.395 -12.335 16.794 1.00 21.90 C ATOM 1305 CG1 ILE A 189 8.034 -11.940 15.357 1.00 22.06 C ATOM 1306 CG2 ILE A 189 9.861 -12.763 16.888 1.00 18.85 C ATOM 1307 CD1 ILE A 189 8.377 -10.493 15.015 1.00 20.24 C ATOM 0 H ILE A 189 8.169 -13.202 19.092 1.00 25.21 H new ATOM 0 HA ILE A 189 6.562 -13.192 17.062 1.00 23.54 H new ATOM 0 HB ILE A 189 8.271 -11.565 17.370 1.00 21.90 H new ATOM 0 HG12 ILE A 189 8.499 -12.528 14.742 1.00 22.06 H new ATOM 0 HG13 ILE A 189 7.084 -12.080 15.220 1.00 22.06 H new ATOM 0 HG21 ILE A 189 10.430 -12.037 16.587 1.00 18.85 H new ATOM 0 HG22 ILE A 189 10.076 -12.982 17.808 1.00 18.85 H new ATOM 0 HG23 ILE A 189 10.008 -13.541 16.328 1.00 18.85 H new ATOM 0 HD11 ILE A 189 8.125 -10.309 14.097 1.00 20.24 H new ATOM 0 HD12 ILE A 189 7.894 -9.897 15.608 1.00 20.24 H new ATOM 0 HD13 ILE A 189 9.331 -10.352 15.122 1.00 20.24 H new ATOM 1308 N LYS A 190 7.082 -15.072 15.484 1.00 25.96 N ATOM 1309 CA LYS A 190 7.265 -16.314 14.749 1.00 26.03 C ATOM 1310 C LYS A 190 8.696 -16.588 14.265 1.00 25.46 C ATOM 1311 O LYS A 190 9.079 -17.741 14.093 1.00 25.21 O ATOM 1312 CB LYS A 190 6.287 -16.339 13.569 1.00 30.94 C ATOM 1313 CG LYS A 190 5.957 -17.722 13.018 1.00 35.45 C ATOM 1314 CD LYS A 190 4.987 -18.486 13.918 1.00 39.52 C ATOM 1315 CE LYS A 190 4.487 -19.770 13.246 1.00 40.69 C ATOM 1316 NZ LYS A 190 3.103 -19.645 12.663 1.00 40.54 N ATOM 0 H LYS A 190 6.480 -14.552 15.156 1.00 25.96 H new ATOM 0 HA LYS A 190 7.082 -17.029 15.378 1.00 26.03 H new ATOM 0 HB2 LYS A 190 5.461 -15.913 13.845 1.00 30.94 H new ATOM 0 HB3 LYS A 190 6.657 -15.802 12.851 1.00 30.94 H new ATOM 0 HG2 LYS A 190 5.571 -17.632 12.133 1.00 35.45 H new ATOM 0 HG3 LYS A 190 6.776 -18.233 12.920 1.00 35.45 H new ATOM 0 HD2 LYS A 190 5.426 -18.707 14.754 1.00 39.52 H new ATOM 0 HD3 LYS A 190 4.231 -17.918 14.136 1.00 39.52 H new ATOM 0 HE2 LYS A 190 5.105 -20.020 12.542 1.00 40.69 H new ATOM 0 HE3 LYS A 190 4.492 -20.490 13.896 1.00 40.69 H new ATOM 0 HZ1 LYS A 190 2.998 -20.245 12.014 1.00 40.54 H new ATOM 0 HZ2 LYS A 190 2.498 -19.789 13.300 1.00 40.54 H new ATOM 0 HZ3 LYS A 190 2.994 -18.827 12.330 1.00 40.54 H new ATOM 1317 N ALA A 191 9.494 -15.546 14.050 1.00 24.75 N ATOM 1318 CA ALA A 191 10.869 -15.750 13.578 1.00 24.13 C ATOM 1319 C ALA A 191 11.881 -15.855 14.719 1.00 24.20 C ATOM 1320 O ALA A 191 13.092 -15.809 14.494 1.00 22.81 O ATOM 1321 CB ALA A 191 11.269 -14.622 12.633 1.00 22.44 C ATOM 0 H ALA A 191 9.268 -14.725 14.168 1.00 24.75 H new ATOM 0 HA ALA A 191 10.882 -16.599 13.108 1.00 24.13 H new ATOM 0 HB1 ALA A 191 12.178 -14.764 12.326 1.00 22.44 H new ATOM 0 HB2 ALA A 191 10.669 -14.610 11.871 1.00 22.44 H new ATOM 0 HB3 ALA A 191 11.215 -13.774 13.100 1.00 22.44 H new ATOM 1322 N ASP A 192 11.374 -15.996 15.938 1.00 24.44 N ATOM 1323 CA ASP A 192 12.203 -16.099 17.136 1.00 26.61 C ATOM 1324 C ASP A 192 13.214 -17.240 17.044 1.00 27.55 C ATOM 1325 O ASP A 192 12.974 -18.231 16.358 1.00 27.96 O ATOM 1326 CB ASP A 192 11.314 -16.322 18.359 1.00 26.74 C ATOM 1327 CG ASP A 192 12.075 -16.198 19.666 1.00 30.25 C ATOM 1328 OD1 ASP A 192 11.565 -16.686 20.691 1.00 33.84 O ATOM 1329 OD2 ASP A 192 13.174 -15.605 19.678 1.00 29.18 O ATOM 0 H ASP A 192 10.530 -16.035 16.096 1.00 24.44 H new ATOM 0 HA ASP A 192 12.696 -15.267 17.217 1.00 26.61 H new ATOM 0 HB2 ASP A 192 10.589 -15.678 18.349 1.00 26.74 H new ATOM 0 HB3 ASP A 192 10.912 -17.203 18.306 1.00 26.74 H new ATOM 1330 N TYR A 193 14.342 -17.093 17.737 1.00 28.65 N ATOM 1331 CA TYR A 193 15.383 -18.122 17.752 1.00 30.70 C ATOM 1332 C TYR A 193 15.290 -18.991 19.007 1.00 32.57 C ATOM 1333 O TYR A 193 14.314 -18.843 19.771 1.00 35.00 O ATOM 1334 CB TYR A 193 16.782 -17.492 17.679 1.00 27.50 C ATOM 1335 CG TYR A 193 17.197 -17.060 16.289 1.00 25.85 C ATOM 1336 CD1 TYR A 193 16.722 -15.869 15.731 1.00 23.34 C ATOM 1337 CD2 TYR A 193 18.050 -17.856 15.519 1.00 22.88 C ATOM 1338 CE1 TYR A 193 17.083 -15.481 14.442 1.00 20.23 C ATOM 1339 CE2 TYR A 193 18.417 -17.480 14.235 1.00 21.16 C ATOM 1340 CZ TYR A 193 17.927 -16.289 13.702 1.00 20.60 C ATOM 1341 OH TYR A 193 18.272 -15.919 12.425 1.00 19.37 O ATOM 0 H TYR A 193 14.526 -16.398 18.209 1.00 28.65 H new ATOM 0 HA TYR A 193 15.241 -18.680 16.971 1.00 30.70 H new ATOM 0 HB2 TYR A 193 16.810 -16.722 18.268 1.00 27.50 H new ATOM 0 HB3 TYR A 193 17.431 -18.130 18.016 1.00 27.50 H new ATOM 0 HD1 TYR A 193 16.155 -15.326 16.229 1.00 23.34 H new ATOM 0 HD2 TYR A 193 18.377 -18.651 15.873 1.00 22.88 H new ATOM 0 HE1 TYR A 193 16.759 -14.686 14.083 1.00 20.23 H new ATOM 0 HE2 TYR A 193 18.986 -18.019 13.734 1.00 21.16 H new ATOM 0 HH TYR A 193 18.786 -16.496 12.095 1.00 19.37 H new TER 1342 TYR A 193 HETATM 1343 CA CA A 401 13.192 -9.463 18.443 1.00 20.93 CA HETATM 1344 CA CA A 402 13.620 -13.229 19.832 1.00 34.43 CA HETATM 1345 O HOH B 13 8.622 2.399 24.947 1.00 43.38 O HETATM 1346 O HOH B 18 21.634 9.917 34.215 1.00 47.06 O HETATM 1347 O HOH B 47 22.704 6.996 38.479 1.00 32.94 O HETATM 1348 O HOH B 53 13.770 -1.892 20.977 1.00 18.03 O HETATM 1349 O HOH B 74 19.393 8.640 33.564 1.00 35.54 O HETATM 1350 O HOH B 75 8.930 7.698 34.502 1.00 32.01 O HETATM 1351 O HOH B 77 14.295 -0.733 32.351 1.00 38.15 O HETATM 1352 O HOH B 79 13.786 0.712 37.002 1.00 55.71 O HETATM 1353 O HOH B 81 26.558 11.642 35.555 1.00 40.12 O HETATM 1354 O HOH B 86 20.615 9.216 36.453 1.00 32.80 O HETATM 1355 O HOH B 103 14.885 0.772 40.242 1.00 45.08 O HETATM 1356 O HOH C 25 20.491 -4.072 32.036 1.00 41.09 O HETATM 1357 O HOH C 38 18.104 -2.107 30.385 1.00 25.76 O HETATM 1358 O HOH C 50 16.708 7.087 16.810 1.00 29.15 O HETATM 1359 O HOH C 54 21.427 5.735 20.391 1.00 36.02 O HETATM 1360 O HOH C 55 19.987 1.716 27.930 1.00 31.35 O HETATM 1361 O HOH C 58 18.298 3.941 28.946 1.00 35.94 O HETATM 1362 O HOH C 61 29.431 -3.116 25.321 1.00 33.87 O HETATM 1363 O HOH C 96 17.630 0.386 30.536 1.00 33.42 O HETATM 1364 O HOH C 108 27.675 -0.524 22.083 1.00 47.57 O HETATM 1365 O HOH C 110 4.413 13.080 29.788 1.00 37.58 O HETATM 1366 O HOH A 403 11.670 -8.870 15.976 1.00 17.49 O HETATM 1367 O HOH A 404 14.728 -14.050 21.654 1.00 30.68 O HETATM 1368 O HOH A 405 11.541 -15.187 22.951 1.00 59.63 O HETATM 1369 O HOH A 406 15.363 -16.703 20.709 1.00 43.34 O HETATM 1370 O HOH A 407 11.020 -13.672 20.928 1.00 38.13 O HETATM 1371 O HOH A 408 16.624 10.957 9.103 1.00 51.02 O HETATM 1372 O HOH A 409 11.781 -19.342 14.218 1.00 35.54 O HETATM 1373 O HOH A 410 11.798 -11.850 19.591 0.50 55.08 O HETATM 1374 O HOH A 411 -0.940 -8.499 2.451 1.00 34.89 O HETATM 1375 O HOH A 412 29.031 -22.998 22.714 1.00 32.69 O HETATM 1376 O HOH A 413 3.686 0.488 13.021 1.00 40.95 O HETATM 1377 O HOH A 414 22.704 -0.993 -0.543 1.00 31.26 O HETATM 1378 O HOH A 415 19.893 -5.971 5.193 1.00 39.34 O HETATM 1379 O HOH A 416 27.377 -6.745 1.791 1.00 39.47 O HETATM 1380 O HOH A 417 17.107 -9.129 0.269 1.00 36.16 O HETATM 1381 O HOH A 418 24.555 -4.811 2.567 1.00 41.44 O HETATM 1382 O HOH A 419 1.066 -18.247 20.350 1.00 41.70 O HETATM 1383 O HOH A 420 34.077 -6.667 11.439 1.00 47.34 O HETATM 1384 O HOH A 421 30.859 1.005 6.866 1.00 33.00 O HETATM 1385 O HOH A 422 22.641 6.510 3.550 1.00 39.87 O HETATM 1386 O HOH A 423 0.795 -15.657 -0.084 1.00 46.95 O HETATM 1387 O HOH A 424 11.473 -9.989 -9.512 1.00 37.10 O HETATM 1388 O HOH A 425 -5.293 -12.789 3.640 1.00 43.32 O HETATM 1389 O HOH A 426 34.872 -8.996 14.427 1.00 37.61 O HETATM 1390 O HOH A 427 32.601 -1.253 8.084 1.00 36.32 O HETATM 1391 O HOH A 428 2.098 0.392 16.709 1.00 46.73 O HETATM 1392 O HOH A 429 7.796 -20.070 13.335 1.00 54.35 O HETATM 1393 O HOH A 430 1.320 -3.345 -7.382 1.00 41.80 O HETATM 1394 O HOH A 431 24.576 4.927 11.087 1.00 34.53 O HETATM 1395 O HOH A 432 1.585 -8.199 -4.908 1.00 42.35 O HETATM 1396 O HOH A 433 5.370 -5.132 1.156 1.00 9.69 O HETATM 1397 O HOH A 434 15.171 -3.863 19.898 1.00 11.79 O HETATM 1398 O HOH A 435 9.437 -3.464 0.288 1.00 14.48 O HETATM 1399 O HOH A 436 13.450 -6.643 13.828 1.00 19.61 O HETATM 1400 O HOH A 437 5.257 -13.349 14.269 1.00 15.27 O HETATM 1401 O HOH A 438 9.155 2.474 7.818 1.00 23.03 O HETATM 1402 O HOH A 439 9.417 2.537 16.966 1.00 23.47 O HETATM 1403 O HOH A 440 9.376 1.763 10.351 1.00 15.33 O HETATM 1404 O HOH A 441 11.620 8.743 14.529 1.00 47.74 O HETATM 1405 O HOH A 442 12.746 1.284 21.721 1.00 38.42 O HETATM 1406 O HOH A 443 30.930 -6.678 12.675 1.00 23.78 O HETATM 1407 O HOH A 444 15.527 -13.787 19.059 1.00 28.39 O HETATM 1408 O HOH A 445 12.407 -17.323 0.391 1.00 31.92 O HETATM 1409 O HOH A 446 9.086 -11.617 19.881 1.00 17.46 O HETATM 1410 O HOH A 447 -4.908 -11.860 9.127 1.00 26.52 O HETATM 1411 O HOH A 448 2.294 -1.380 14.606 1.00 28.30 O HETATM 1412 O HOH A 449 22.591 -17.842 10.052 1.00 35.80 O HETATM 1413 O HOH A 450 4.001 -4.294 -4.750 1.00 40.92 O HETATM 1414 O HOH A 451 1.591 -12.813 25.836 1.00 67.46 O HETATM 1415 O HOH A 452 6.838 1.535 6.442 1.00 37.42 O HETATM 1416 O HOH A 453 24.857 -8.208 27.168 1.00 28.94 O HETATM 1417 O HOH A 454 18.843 -16.652 3.039 1.00 42.46 O HETATM 1418 O HOH A 455 4.582 -21.048 4.040 1.00 39.30 O HETATM 1419 O HOH A 456 11.289 -23.324 6.711 1.00 40.29 O HETATM 1420 O HOH A 457 6.617 1.601 11.039 1.00 38.30 O HETATM 1421 O HOH A 458 31.862 -17.698 19.635 1.00 74.17 O HETATM 1422 O HOH A 459 25.404 5.793 7.998 1.00 34.42 O HETATM 1423 O HOH A 460 22.958 -4.589 4.559 1.00 22.21 O HETATM 1424 O HOH A 461 9.490 6.930 7.244 1.00 41.98 O HETATM 1425 O HOH A 462 24.422 1.724 24.356 1.00 28.56 O HETATM 1426 O HOH A 463 13.564 -16.958 -2.619 1.00 29.35 O HETATM 1427 O HOH A 464 3.492 -2.753 0.607 1.00 21.17 O HETATM 1428 O HOH A 465 1.781 -5.426 -5.874 1.00 38.62 O HETATM 1429 O HOH A 466 17.059 -3.932 -4.376 1.00 35.30 O HETATM 1430 O HOH A 467 19.039 -8.604 -4.665 1.00 40.16 O HETATM 1431 O HOH A 468 3.950 -11.259 -6.907 1.00 29.03 O HETATM 1432 O HOH A 469 5.668 -1.681 -1.202 1.00 27.29 O HETATM 1433 O HOH A 470 10.205 -20.865 11.910 1.00 43.26 O HETATM 1434 O HOH A 471 3.545 -6.196 28.813 1.00 53.56 O HETATM 1435 O HOH A 472 17.347 7.090 13.982 1.00 31.36 O HETATM 1436 O HOH A 473 35.376 -10.044 20.491 1.00 49.33 O HETATM 1437 O HOH A 474 30.391 -11.157 23.396 1.00 36.94 O HETATM 1438 O HOH A 475 27.253 -9.795 26.013 1.00 49.54 O HETATM 1439 O HOH A 476 7.948 -3.103 -1.775 1.00 26.16 O HETATM 1440 O HOH A 477 32.704 1.470 10.099 1.00 49.81 O HETATM 1441 O HOH A 478 2.657 -2.126 -4.697 1.00 32.87 O HETATM 1442 O HOH A 479 19.921 -5.064 2.658 1.00 45.23 O HETATM 1443 O HOH A 480 4.951 1.727 8.107 1.00 38.53 O HETATM 1444 O HOH A 481 6.495 -4.642 -3.054 1.00 31.32 O HETATM 1445 O HOH A 482 4.605 -3.895 21.950 1.00 31.93 O HETATM 1446 O HOH A 483 21.965 -7.406 5.505 1.00 43.00 O HETATM 1447 O HOH A 484 2.079 2.181 3.523 1.00 36.03 O HETATM 1448 O HOH A 485 28.414 -23.171 20.124 1.00 52.96 O HETATM 1449 O HOH A 486 1.151 -4.799 24.149 1.00 46.22 O HETATM 1450 O HOH A 487 30.234 4.613 6.812 1.00 52.33 O HETATM 1451 O HOH A 488 6.561 0.019 21.370 1.00 46.64 O HETATM 1452 O HOH A 489 28.450 -7.468 27.392 1.00 44.83 O HETATM 1453 O HOH A 490 5.238 -17.647 23.132 1.00 33.83 O HETATM 1454 O HOH A 491 8.931 4.314 14.573 1.00 34.39 O HETATM 1455 O HOH A 492 3.594 -16.421 19.198 1.00 44.62 O HETATM 1456 O HOH A 493 14.920 -9.486 -7.462 1.00 38.91 O HETATM 1457 O HOH A 494 20.709 -20.249 12.981 1.00 47.02 O HETATM 1458 O HOH A 495 -5.968 -12.236 15.150 1.00 40.08 O HETATM 1459 O HOH A 496 7.352 1.646 -3.981 1.00 37.74 O CONECT 351 1343 CONECT 352 1344 CONECT 633 1343 CONECT 634 1343 CONECT 829 1343 CONECT 830 1343 CONECT 1329 1344 CONECT 1343 351 633 634 829 CONECT 1343 830 1366 1373 CONECT 1344 352 1329 1367 1370 CONECT 1344 1373 1407 CONECT 1366 1343 CONECT 1367 1344 CONECT 1370 1344 CONECT 1373 1343 1344 CONECT 1407 1344 END