USER MOD reduce.3.24.130724 H: found=0, std=0, add=1207, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE/RNA/DNA 03-MAR-06 2G8U TITLE B. HALODURANS RNASE H CATALYTIC DOMAIN D132N MUTANT IN TITLE 2 COMPLEX WITH MG2+ AND RNA/DNA HYBRID (NON-P NICK AT THE TITLE 3 ACTIVE SITE) COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-R(*UP*CP*GP*AP*CP*A)-3'; COMPND 3 CHAIN: B; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: 5'-D(*AP*TP*GP*TP*CP*G)-3'; COMPND 7 CHAIN: C; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 0 MOLECULE: RIBONUCLEASE H; COMPND 1 CHAIN: A; COMPND 2 FRAGMENT: BH-RNASE HC; COMPND 3 SYNONYM: RNASE H; COMPND 4 EC: 3.1.26.4; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES; SOURCE 5 MOL_ID: 3; SOURCE 6 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; SOURCE 7 ORGANISM_TAXID: 86665; SOURCE 8 GENE: RNHA; SOURCE 9 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 0 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 1 EXPRESSION_SYSTEM_STRAIN: BL21 PLYSS; SOURCE 2 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 3 EXPRESSION_SYSTEM_VECTOR: PET15B KEYWDS RNASE H, RIBONUCLEASE H, RNA/DNA HYBRID, HYDROLASE/RNA/DNA KEYWDS 2 COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR M.NOWOTNY,W.YANG REVDAT 3 24-FEB-09 2G8U 1 VERSN REVDAT 2 16-MAY-06 2G8U 1 JRNL REVDAT 1 25-APR-06 2G8U 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. 2.70 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) : 2.70 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 : 4718 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) : 0.223 REMARK 3 FREE R VALUE : 0.288 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 512 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 : 1076 REMARK 3 NUCLEIC ACID ATOMS : 245 REMARK 3 HETEROGEN ATOMS : 2 REMARK 3 SOLVENT ATOMS : 20 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) : 0.007 REMARK 3 BOND ANGLES (DEGREES) : 1.30 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 2G8U COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-MAR-06. REMARK 100 THE RCSB ID CODE IS RCSB036833. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 06-JUN-05 REMARK 200 TEMPERATURE (KELVIN) : 95 REMARK 200 PH : 7.5 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 : 4718 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.700 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.400 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 89.8 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) : 2.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.82 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 (%): 47.25 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.33 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 25% MPD, 0.2M NACL, 0.1M HEPES PH REMARK 280 7.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 278K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 41.93900 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 17.70600 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 41.93900 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 17.70600 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, C, A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY A 55 REMARK 465 SER A 56 REMARK 465 HIS A 57 REMARK 465 MET A 58 REMARK 465 ALA A 59 REMARK 465 LYS A 60 REMARK 465 GLU A 61 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 IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 18 O HOH A 19 2.08 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 THR A 88 -19.70 -49.62 REMARK 500 LYS A 89 -61.95 -108.37 REMARK 500 PRO A 99 113.18 -33.71 REMARK 500 PRO A 101 -70.36 -51.73 REMARK 500 LYS A 143 25.34 43.23 REMARK 500 LYS A 146 48.98 -96.39 REMARK 500 GLU A 153 -16.21 -43.05 REMARK 500 THR A 155 47.03 -97.31 REMARK 500 TYR A 174 142.77 175.54 REMARK 500 THR A 176 115.80 -39.87 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DA C 1 0.06 SIDE_CHAIN REMARK 500 DT C 4 0.08 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL 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 MG A 401 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 71 OD1 REMARK 620 2 HOH A 4 O 78.7 REMARK 620 3 A B 6 O3' 103.7 155.8 REMARK 620 4 ASN A 132 OD1 116.9 61.7 97.1 REMARK 620 5 GLU A 109 OE1 95.0 68.4 134.3 111.0 REMARK 620 6 GLU A 109 OE2 119.1 112.0 88.3 120.5 46.6 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG A 402 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 192 OD2 REMARK 620 2 HOH A 1 O 68.5 REMARK 620 3 ASP A 71 OD2 90.8 112.3 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 401 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG 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 2G8U A 59 196 UNP Q9KEI9 RNH1_BACHD 59 196 DBREF 2G8U B 1 6 PDB 2G8U 2G8U 1 6 DBREF 2G8U C 1 6 PDB 2G8U 2G8U 1 6 SEQADV 2G8U GLY A 55 UNP Q9KEI9 CLONING ARTIFACT SEQADV 2G8U SER A 56 UNP Q9KEI9 CLONING ARTIFACT SEQADV 2G8U HIS A 57 UNP Q9KEI9 CLONING ARTIFACT SEQADV 2G8U MET A 58 UNP Q9KEI9 CLONING ARTIFACT SEQADV 2G8U ASN A 132 UNP Q9KEI9 ASP 132 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 ASN SEQRES 7 A 142 SER GLN THR ALA ILE LYS TRP VAL LYS ASP LYS LYS ALA SEQRES 8 A 142 LYS SER THR LEU VAL ARG ASN GLU GLU THR ALA LEU ILE SEQRES 9 A 142 TRP LYS LEU VAL ASP GLU ALA GLU GLU TRP LEU ASN THR SEQRES 10 A 142 HIS THR TYR GLU THR PRO ILE LEU LYS TRP GLN THR ASP SEQRES 11 A 142 LYS TRP GLY GLU ILE LYS ALA ASP TYR GLY ARG LYS HET MG A 401 1 HET MG A 402 1 HETNAM MG MAGNESIUM ION FORMUL 4 MG 2(MG 2+) FORMUL 6 HOH *20(H2 O) HELIX 1 1 THR A 104 GLU A 122 1 19 HELIX 2 2 SER A 133 ASP A 142 1 10 HELIX 3 3 ALA A 156 ASN A 170 1 15 HELIX 4 4 GLN A 182 GLY A 187 1 6 SHEET 1 A 3 VAL A 93 GLU A 96 0 SHEET 2 A 3 GLY A 79 ASP A 87 -1 N GLY A 85 O PHE A 95 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 PHE A 95 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 MG MG A 401 OD1 ASP A 71 1555 1555 2.43 LINK MG MG A 401 O HOH A 4 1555 1555 2.88 LINK MG MG A 401 O3' A B 6 1555 1555 2.97 LINK MG MG A 401 OD1 ASN A 132 1555 1555 2.35 LINK MG MG A 401 OE1 GLU A 109 1555 1555 3.03 LINK MG MG A 401 OE2 GLU A 109 1555 1555 2.04 LINK MG MG A 402 OD2 ASP A 192 1555 1555 2.35 LINK MG MG A 402 O HOH A 1 1555 1555 2.38 LINK MG MG A 402 OD2 ASP A 71 1555 1555 2.85 CISPEP 1 ASN A 77 PRO A 78 0 -0.11 SITE *** AC1 5 HOH A 4 ASP A 71 GLU A 109 ASN A 132 SITE *** AC1 5 A B 6 SITE *** AC2 3 HOH A 1 ASP A 71 ASP A 192 CRYST1 83.878 35.412 63.839 90.00 98.66 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 0.011922 0.000000 0.001816 0.00000 SCALE2 0.000000 0.028239 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015845 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 121 LYS NZ :NH3+ -171:sc= 1.13 (180deg=1.07) USER MOD Set 1.2: A 173 THR OG1 : rot 180:sc= 0.0694 USER MOD Set 2.1: A 171 THR OG1 : rot -126:sc= 1.64 USER MOD Set 2.2: A 172 HIS : no HE2:sc= -2.09 K(o=-0.45,f=-6!) USER MOD Set 3.1: A 83 TYR OH : rot 7:sc= 0.508 USER MOD Set 3.2: A 115 HIS : no HD1:sc= -0.801 K(o=-0.29,f=-4!) USER MOD Set 4.1: A 107 MET CE :methyl -151:sc= -0.382 (180deg=-2.17) USER MOD Set 4.2: A 147 SER OG : rot 92:sc= 1.33 USER MOD Set 5.1: A 67 SER OG : rot -93:sc= 2.38 USER MOD Set 5.2: A 69 SER OG : rot 74:sc= 0.114 USER MOD Set 5.3: A 88 THR OG1 : rot 155:sc= 1.71 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 77 ASN : amide:sc= 1.83 K(o=1.8,f=-3.9!) USER MOD Single : A 84 LYS NZ :NH3+ -115:sc= 0.00641 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -140:sc= -0.46 USER MOD Single : A 104 THR OG1 : rot 165:sc= -1.43! USER MOD Single : A 105 ASN : amide:sc= -0.313 K(o=-0.31,f=-10!) USER MOD Single : A 106 ASN :FLIP amide:sc= -1.38 F(o=-3.1!,f=-1.4) USER MOD Single : A 119 TYR OH : rot 180:sc= -0.613 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0.0253 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 124:sc= 1.44 USER MOD Single : A 132 ASN : amide:sc= 0.435 K(o=0.44,f=-4.6!) USER MOD Single : A 133 SER OG : rot 26:sc= 0.00888 USER MOD Single : A 134 GLN :FLIP amide:sc= -2.68! C(o=-4.4!,f=-2.7!) USER MOD Single : A 135 THR OG1 : rot -134:sc= 0.263 USER MOD Single : A 138 LYS NZ :NH3+ -178:sc= -1.21 (180deg=-1.23) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ -159:sc= 0.826 (180deg=0.562) USER MOD Single : A 146 LYS NZ :NH3+ 156:sc= -0.241 (180deg=-1.06!) USER MOD Single : A 148 THR OG1 : rot -24:sc= 0.0678 USER MOD Single : A 152 ASN : amide:sc= -2.38 K(o=-2.4,f=-10!) USER MOD Single : A 155 THR OG1 : rot 178:sc= 1.44 USER MOD Single : A 160 LYS NZ :NH3+ 169:sc= -0.0507 (180deg=-0.213) USER MOD Single : A 170 ASN : amide:sc= -0.0227 X(o=-0.023,f=-0.41) USER MOD Single : A 174 TYR OH : rot 30:sc= -0.348 USER MOD Single : A 176 THR OG1 : rot 180:sc= 0.00422 USER MOD Single : A 180 LYS NZ :NH3+ 167:sc= 0.641 (180deg=0.551) USER MOD Single : A 182 GLN : amide:sc= -0.0147 K(o=-0.015,f=-1.6!) USER MOD Single : A 183 THR OG1 : rot 128:sc= 0.144 USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 190 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 193 TYR OH : rot 180:sc= -0.0932 USER MOD Single : B 1 U O2' : rot -20:sc= 0.00311 USER MOD Single : B 1 U O5' : rot -7:sc= 0.0428! USER MOD Single : B 2 C O2' : rot 175:sc= 1.3 USER MOD Single : B 3 G O2' : rot 180:sc= -2.02! USER MOD Single : B 4 A O2' : rot 180:sc=-0.00518 USER MOD Single : B 5 C O2' : rot -67:sc= 1.35 USER MOD Single : B 6 A O2' : rot -17:sc= 0.471 USER MOD Single : B 6 A O3' : rot 180:sc= 0.00149 USER MOD Single : C 1 DA O5' : rot 180:sc= -0.0778 USER MOD Single : C 2 DT C7 :methyl -30:sc= -2.54! (180deg=-2.78!) USER MOD Single : C 4 DT C7 :methyl 150:sc=-0.00807 (180deg=-0.00807) USER MOD Single : C 6 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' U B 1 18.042 6.787 38.530 1.00 65.73 O ATOM 2 C5' U B 1 17.576 7.041 39.864 1.00 66.17 C ATOM 3 C4' U B 1 16.137 7.509 39.994 1.00 66.51 C ATOM 4 O4' U B 1 15.956 8.824 39.388 1.00 65.49 O ATOM 5 C3' U B 1 15.117 6.624 39.299 1.00 66.00 C ATOM 6 O3' U B 1 14.785 5.511 40.112 1.00 66.20 O ATOM 7 C2' U B 1 13.971 7.597 39.035 1.00 65.02 C ATOM 8 O2' U B 1 13.136 7.861 40.157 1.00 62.58 O ATOM 9 C1' U B 1 14.762 8.839 38.612 1.00 62.28 C ATOM 10 N1 U B 1 15.183 8.776 37.204 1.00 58.78 N ATOM 11 C2 U B 1 14.247 9.023 36.208 1.00 56.73 C ATOM 12 O2 U B 1 13.063 9.276 36.438 1.00 52.97 O ATOM 13 N3 U B 1 14.750 8.956 34.929 1.00 55.58 N ATOM 14 C4 U B 1 16.055 8.665 34.553 1.00 55.50 C ATOM 15 O4 U B 1 16.360 8.660 33.357 1.00 54.05 O ATOM 16 C5 U B 1 16.943 8.409 35.638 1.00 54.62 C ATOM 17 C6 U B 1 16.491 8.474 36.890 1.00 55.91 C ATOM 0 H5' U B 1 18.152 7.710 40.266 1.00 66.17 H new ATOM 0 H5'' U B 1 17.680 6.228 40.383 1.00 66.17 H new ATOM 0 H4' U B 1 15.985 7.499 40.952 1.00 66.51 H new ATOM 0 H3' U B 1 15.417 6.207 38.476 1.00 66.00 H new ATOM 0 H2' U B 1 13.330 7.259 38.390 1.00 65.02 H new ATOM 0 HO2' U B 1 13.227 7.249 40.725 1.00 62.58 H new ATOM 0 HO5' U B 1 17.398 6.839 37.993 1.00 65.73 H new ATOM 0 H1' U B 1 14.208 9.626 38.736 1.00 62.28 H new ATOM 0 H3 U B 1 14.194 9.112 34.291 1.00 55.58 H new ATOM 0 H5 U B 1 17.834 8.198 35.473 1.00 54.62 H new ATOM 0 H6 U B 1 17.086 8.308 37.585 1.00 55.91 H new ATOM 18 P C B 2 15.113 4.026 39.584 1.00 66.68 P ATOM 19 OP1 C B 2 15.300 3.215 40.822 1.00 64.37 O ATOM 20 OP2 C B 2 16.184 4.068 38.549 1.00 65.78 O ATOM 21 O5' C B 2 13.771 3.602 38.843 1.00 60.01 O ATOM 22 C5' C B 2 12.527 3.934 39.426 1.00 52.62 C ATOM 23 C4' C B 2 11.628 4.592 38.420 1.00 46.58 C ATOM 24 O4' C B 2 12.363 5.596 37.676 1.00 42.27 O ATOM 25 C3' C B 2 11.113 3.712 37.308 1.00 44.16 C ATOM 26 O3' C B 2 10.083 2.877 37.796 1.00 45.79 O ATOM 27 C2' C B 2 10.623 4.754 36.314 1.00 40.20 C ATOM 28 O2' C B 2 9.436 5.378 36.739 1.00 40.69 O ATOM 29 C1' C B 2 11.723 5.801 36.430 1.00 36.48 C ATOM 30 N1 C B 2 12.714 5.732 35.356 1.00 30.51 N ATOM 31 C2 C B 2 12.346 6.213 34.108 1.00 30.45 C ATOM 32 O2 C B 2 11.175 6.602 33.941 1.00 31.32 O ATOM 33 N3 C B 2 13.261 6.238 33.110 1.00 27.98 N ATOM 34 C4 C B 2 14.493 5.783 33.330 1.00 26.37 C ATOM 35 N4 C B 2 15.372 5.861 32.327 1.00 25.65 N ATOM 36 C5 C B 2 14.881 5.239 34.588 1.00 23.74 C ATOM 37 C6 C B 2 13.968 5.237 35.566 1.00 26.34 C ATOM 0 H5' C B 2 12.666 4.528 40.180 1.00 52.62 H new ATOM 0 H5'' C B 2 12.102 3.133 39.771 1.00 52.62 H new ATOM 0 H4' C B 2 10.897 4.907 38.975 1.00 46.58 H new ATOM 0 H3' C B 2 11.756 3.098 36.919 1.00 44.16 H new ATOM 0 H2' C B 2 10.453 4.375 35.437 1.00 40.20 H new ATOM 0 HO2' C B 2 9.234 5.991 36.202 1.00 40.69 H new ATOM 0 H1' C B 2 11.316 6.679 36.360 1.00 36.48 H new ATOM 0 H41 C B 2 16.176 5.576 32.437 1.00 25.65 H new ATOM 0 H42 C B 2 15.134 6.196 31.572 1.00 25.65 H new ATOM 0 H5 C B 2 15.736 4.898 34.724 1.00 23.74 H new ATOM 0 H6 C B 2 14.191 4.893 36.401 1.00 26.34 H new ATOM 38 P G B 3 9.961 1.385 37.230 1.00 47.85 P ATOM 39 OP1 G B 3 9.032 0.639 38.125 1.00 46.99 O ATOM 40 OP2 G B 3 11.335 0.876 37.006 1.00 46.33 O ATOM 41 O5' G B 3 9.265 1.616 35.816 1.00 46.20 O ATOM 42 C5' G B 3 8.031 2.327 35.730 1.00 45.84 C ATOM 43 C4' G B 3 7.729 2.686 34.297 1.00 46.04 C ATOM 44 O4' G B 3 8.622 3.736 33.847 1.00 45.94 O ATOM 45 C3' G B 3 7.947 1.572 33.288 1.00 46.60 C ATOM 46 O3' G B 3 6.845 0.690 33.240 1.00 45.68 O ATOM 47 C2' G B 3 8.092 2.359 32.000 1.00 47.15 C ATOM 48 O2' G B 3 6.847 2.853 31.548 1.00 49.92 O ATOM 49 C1' G B 3 8.945 3.527 32.484 1.00 46.22 C ATOM 50 N9 G B 3 10.371 3.236 32.398 1.00 46.61 N ATOM 51 C8 G B 3 11.203 2.795 33.402 1.00 46.38 C ATOM 52 N7 G B 3 12.444 2.673 33.018 1.00 45.36 N ATOM 53 C5 G B 3 12.427 3.048 31.683 1.00 45.67 C ATOM 54 C6 G B 3 13.475 3.129 30.739 1.00 47.79 C ATOM 55 O6 G B 3 14.678 2.894 30.900 1.00 50.49 O ATOM 56 N1 G B 3 13.012 3.535 29.491 1.00 49.52 N ATOM 57 C2 G B 3 11.705 3.832 29.190 1.00 49.08 C ATOM 58 N2 G B 3 11.456 4.197 27.929 1.00 48.57 N ATOM 59 N3 G B 3 10.719 3.773 30.064 1.00 48.68 N ATOM 60 C4 G B 3 11.150 3.377 31.281 1.00 46.99 C ATOM 0 H5' G B 3 8.077 3.133 36.268 1.00 45.84 H new ATOM 0 H5'' G B 3 7.313 1.785 36.092 1.00 45.84 H new ATOM 0 H4' G B 3 6.790 2.928 34.321 1.00 46.04 H new ATOM 0 H3' G B 3 8.703 0.999 33.488 1.00 46.60 H new ATOM 0 H2' G B 3 8.454 1.841 31.264 1.00 47.15 H new ATOM 0 HO2' G B 3 6.958 3.284 30.836 1.00 49.92 H new ATOM 0 H1' G B 3 8.764 4.302 31.929 1.00 46.22 H new ATOM 0 H8 G B 3 10.911 2.604 34.264 1.00 46.38 H new ATOM 0 H1 G B 3 13.590 3.606 28.858 1.00 49.52 H new ATOM 0 H21 G B 3 10.654 4.393 27.689 1.00 48.57 H new ATOM 0 H22 G B 3 12.098 4.235 27.358 1.00 48.57 H new ATOM 61 P A B 4 7.056 -0.799 32.690 1.00 47.97 P ATOM 62 OP1 A B 4 5.785 -1.512 32.997 1.00 46.32 O ATOM 63 OP2 A B 4 8.346 -1.349 33.199 1.00 46.43 O ATOM 64 O5' A B 4 7.210 -0.584 31.114 1.00 46.03 O ATOM 65 C5' A B 4 6.241 0.162 30.375 1.00 42.95 C ATOM 66 C4' A B 4 6.722 0.384 28.963 1.00 42.75 C ATOM 67 O4' A B 4 7.849 1.300 28.993 1.00 42.73 O ATOM 68 C3' A B 4 7.269 -0.851 28.267 1.00 43.78 C ATOM 69 O3' A B 4 6.255 -1.684 27.708 1.00 45.34 O ATOM 70 C2' A B 4 8.212 -0.252 27.227 1.00 42.58 C ATOM 71 O2' A B 4 7.566 0.219 26.063 1.00 42.44 O ATOM 72 C1' A B 4 8.803 0.928 28.002 1.00 40.78 C ATOM 73 N9 A B 4 10.068 0.606 28.669 1.00 36.38 N ATOM 74 C8 A B 4 10.246 0.180 29.964 1.00 36.23 C ATOM 75 N7 A B 4 11.499 -0.047 30.281 1.00 34.46 N ATOM 76 C5 A B 4 12.193 0.258 29.118 1.00 34.93 C ATOM 77 C6 A B 4 13.566 0.225 28.801 1.00 33.06 C ATOM 78 N6 A B 4 14.508 -0.128 29.666 1.00 33.09 N ATOM 79 N1 A B 4 13.933 0.574 27.552 1.00 32.01 N ATOM 80 C2 A B 4 12.978 0.936 26.685 1.00 33.90 C ATOM 81 N3 A B 4 11.657 1.015 26.865 1.00 34.12 N ATOM 82 C4 A B 4 11.325 0.660 28.117 1.00 34.17 C ATOM 0 H5' A B 4 6.081 1.015 30.807 1.00 42.95 H new ATOM 0 H5'' A B 4 5.396 -0.314 30.365 1.00 42.95 H new ATOM 0 H4' A B 4 5.939 0.700 28.485 1.00 42.75 H new ATOM 0 H3' A B 4 7.715 -1.463 28.873 1.00 43.78 H new ATOM 0 H2' A B 4 8.845 -0.906 26.893 1.00 42.58 H new ATOM 0 HO2' A B 4 8.137 0.536 25.534 1.00 42.44 H new ATOM 0 H1' A B 4 8.991 1.641 27.372 1.00 40.78 H new ATOM 0 H8 A B 4 9.542 0.063 30.561 1.00 36.23 H new ATOM 0 H61 A B 4 15.333 -0.132 29.425 1.00 33.09 H new ATOM 0 H62 A B 4 14.293 -0.352 30.468 1.00 33.09 H new ATOM 0 H2 A B 4 13.278 1.165 25.835 1.00 33.90 H new ATOM 83 P C B 5 6.509 -3.280 27.618 1.00 50.59 P ATOM 84 OP1 C B 5 5.208 -3.982 27.451 1.00 49.56 O ATOM 85 OP2 C B 5 7.409 -3.670 28.740 1.00 51.12 O ATOM 86 O5' C B 5 7.359 -3.451 26.282 1.00 47.45 O ATOM 87 C5' C B 5 6.890 -2.927 25.049 1.00 43.45 C ATOM 88 C4' C B 5 7.989 -2.966 24.020 1.00 40.72 C ATOM 89 O4' C B 5 9.019 -2.015 24.386 1.00 40.26 O ATOM 90 C3' C B 5 8.737 -4.284 23.912 1.00 38.39 C ATOM 91 O3' C B 5 8.029 -5.216 23.102 1.00 36.24 O ATOM 92 C2' C B 5 10.062 -3.856 23.286 1.00 37.22 C ATOM 93 O2' C B 5 10.000 -3.740 21.888 1.00 36.10 O ATOM 94 C1' C B 5 10.274 -2.473 23.905 1.00 38.30 C ATOM 95 N1 C B 5 11.226 -2.497 25.022 1.00 38.39 N ATOM 96 C2 C B 5 12.576 -2.398 24.734 1.00 38.14 C ATOM 97 O2 C B 5 12.920 -2.257 23.552 1.00 40.16 O ATOM 98 N3 C B 5 13.476 -2.455 25.742 1.00 38.10 N ATOM 99 C4 C B 5 13.057 -2.598 27.000 1.00 38.19 C ATOM 100 N4 C B 5 13.976 -2.649 27.965 1.00 37.34 N ATOM 101 C5 C B 5 11.675 -2.692 27.327 1.00 37.20 C ATOM 102 C6 C B 5 10.801 -2.630 26.316 1.00 38.61 C ATOM 0 H5' C B 5 6.585 -2.015 25.172 1.00 43.45 H new ATOM 0 H5'' C B 5 6.128 -3.442 24.739 1.00 43.45 H new ATOM 0 H4' C B 5 7.531 -2.787 23.184 1.00 40.72 H new ATOM 0 H3' C B 5 8.851 -4.744 24.759 1.00 38.39 H new ATOM 0 H2' C B 5 10.768 -4.500 23.451 1.00 37.22 H new ATOM 0 HO2' C B 5 9.881 -4.499 21.549 1.00 36.10 H new ATOM 0 H1' C B 5 10.640 -1.887 23.224 1.00 38.30 H new ATOM 0 H41 C B 5 13.734 -2.741 28.785 1.00 37.34 H new ATOM 0 H42 C B 5 14.811 -2.590 27.767 1.00 37.34 H new ATOM 0 H5 C B 5 11.391 -2.792 28.207 1.00 37.20 H new ATOM 0 H6 C B 5 9.890 -2.678 26.496 1.00 38.61 H new ATOM 103 P A B 6 8.555 -6.732 22.995 1.00 38.86 P ATOM 104 OP1 A B 6 7.833 -7.374 21.860 1.00 37.98 O ATOM 105 OP2 A B 6 8.533 -7.371 24.340 1.00 38.20 O ATOM 106 O5' A B 6 10.074 -6.553 22.555 1.00 39.87 O ATOM 107 C5' A B 6 11.018 -7.613 22.653 1.00 39.06 C ATOM 108 C4' A B 6 12.345 -7.163 22.078 1.00 39.72 C ATOM 109 O4' A B 6 12.738 -5.919 22.714 1.00 40.30 O ATOM 110 C3' A B 6 13.511 -8.101 22.314 1.00 40.16 C ATOM 111 O3' A B 6 13.551 -9.192 21.384 1.00 40.58 O ATOM 112 C2' A B 6 14.701 -7.153 22.274 1.00 40.38 C ATOM 113 O2' A B 6 15.057 -6.799 20.951 1.00 43.56 O ATOM 114 C1' A B 6 14.125 -5.925 22.981 1.00 39.18 C ATOM 115 N9 A B 6 14.282 -5.890 24.436 1.00 38.58 N ATOM 116 C8 A B 6 13.262 -6.012 25.346 1.00 39.14 C ATOM 117 N7 A B 6 13.654 -5.939 26.598 1.00 39.58 N ATOM 118 C5 A B 6 15.026 -5.764 26.509 1.00 39.22 C ATOM 119 C6 A B 6 16.024 -5.631 27.494 1.00 39.60 C ATOM 120 N6 A B 6 15.774 -5.700 28.805 1.00 37.79 N ATOM 121 N1 A B 6 17.297 -5.438 27.080 1.00 40.09 N ATOM 122 C2 A B 6 17.541 -5.410 25.760 1.00 40.37 C ATOM 123 N3 A B 6 16.689 -5.546 24.738 1.00 39.89 N ATOM 124 C4 A B 6 15.431 -5.721 25.184 1.00 38.92 C ATOM 0 H5' A B 6 10.695 -8.392 22.174 1.00 39.06 H new ATOM 0 H5'' A B 6 11.129 -7.876 23.580 1.00 39.06 H new ATOM 0 H4' A B 6 12.184 -7.105 21.123 1.00 39.72 H new ATOM 0 H3' A B 6 13.471 -8.587 23.153 1.00 40.16 H new ATOM 0 H2' A B 6 15.502 -7.533 22.668 1.00 40.38 H new ATOM 0 HO2' A B 6 14.707 -7.340 20.412 1.00 43.56 H new ATOM 0 HO3' A B 6 14.213 -9.681 21.554 1.00 40.58 H new ATOM 0 H1' A B 6 14.617 -5.160 22.643 1.00 39.18 H new ATOM 0 H8 A B 6 12.374 -6.135 25.099 1.00 39.14 H new ATOM 0 H61 A B 6 16.416 -5.613 29.370 1.00 37.79 H new ATOM 0 H62 A B 6 14.971 -5.832 29.083 1.00 37.79 H new ATOM 0 H2 A B 6 18.430 -5.277 25.522 1.00 40.37 H new TER 125 A B 6 ATOM 126 O5' DA C 1 23.176 -5.767 35.945 1.00 47.98 O ATOM 127 C5' DA C 1 24.449 -6.439 35.907 1.00 51.01 C ATOM 128 C4' DA C 1 24.968 -6.464 34.489 1.00 50.39 C ATOM 129 O4' DA C 1 24.166 -7.404 33.723 1.00 49.61 O ATOM 130 C3' DA C 1 24.788 -5.100 33.826 1.00 51.19 C ATOM 131 O3' DA C 1 25.858 -4.700 32.973 1.00 51.62 O ATOM 132 C2' DA C 1 23.528 -5.257 33.008 1.00 50.57 C ATOM 133 C1' DA C 1 23.492 -6.735 32.672 1.00 48.12 C ATOM 134 N9 DA C 1 22.098 -7.157 32.673 1.00 45.79 N ATOM 135 C8 DA C 1 21.193 -7.080 33.702 1.00 43.71 C ATOM 136 N7 DA C 1 19.967 -7.384 33.352 1.00 41.10 N ATOM 137 C5 DA C 1 20.081 -7.714 32.012 1.00 41.30 C ATOM 138 C6 DA C 1 19.144 -8.088 31.064 1.00 41.41 C ATOM 139 N6 DA C 1 17.837 -8.175 31.317 1.00 40.30 N ATOM 140 N1 DA C 1 19.591 -8.360 29.814 1.00 44.58 N ATOM 141 C2 DA C 1 20.901 -8.240 29.552 1.00 41.01 C ATOM 142 N3 DA C 1 21.878 -7.877 30.362 1.00 41.96 N ATOM 143 C4 DA C 1 21.396 -7.621 31.592 1.00 43.27 C ATOM 0 H5' DA C 1 24.357 -7.344 36.243 1.00 51.01 H new ATOM 0 H5'' DA C 1 25.082 -5.985 36.485 1.00 51.01 H new ATOM 0 H4' DA C 1 25.907 -6.708 34.509 1.00 50.39 H new ATOM 0 H3' DA C 1 24.755 -4.409 34.506 1.00 51.19 H new ATOM 0 H2' DA C 1 22.743 -4.987 33.510 1.00 50.57 H new ATOM 0 H2'' DA C 1 23.554 -4.711 32.207 1.00 50.57 H new ATOM 0 HO5' DA C 1 22.888 -5.755 36.734 1.00 47.98 H new ATOM 0 H1' DA C 1 23.900 -6.925 31.813 1.00 48.12 H new ATOM 0 H8 DA C 1 21.428 -6.835 34.568 1.00 43.71 H new ATOM 0 H61 DA C 1 17.293 -8.412 30.694 1.00 40.30 H new ATOM 0 H62 DA C 1 17.538 -7.994 32.103 1.00 40.30 H new ATOM 0 H2 DA C 1 21.156 -8.440 28.680 1.00 41.01 H new ATOM 144 P DT C 2 25.734 -3.296 32.197 1.00 52.52 P ATOM 145 OP1 DT C 2 27.074 -2.663 32.088 1.00 53.98 O ATOM 146 OP2 DT C 2 24.623 -2.548 32.840 1.00 50.72 O ATOM 147 O5' DT C 2 25.276 -3.734 30.738 1.00 50.68 O ATOM 148 C5' DT C 2 26.061 -4.653 29.980 1.00 47.92 C ATOM 149 C4' DT C 2 25.595 -4.667 28.545 1.00 44.69 C ATOM 150 O4' DT C 2 24.283 -5.279 28.485 1.00 43.67 O ATOM 151 C3' DT C 2 25.436 -3.267 27.954 1.00 44.14 C ATOM 152 O3' DT C 2 25.821 -3.253 26.579 1.00 43.34 O ATOM 153 C2' DT C 2 23.950 -2.999 28.089 1.00 44.22 C ATOM 154 C1' DT C 2 23.361 -4.384 27.891 1.00 42.58 C ATOM 155 N1 DT C 2 22.039 -4.594 28.518 1.00 40.07 N ATOM 156 C2 DT C 2 21.018 -5.065 27.723 1.00 39.61 C ATOM 157 O2 DT C 2 21.159 -5.309 26.537 1.00 41.95 O ATOM 158 N3 DT C 2 19.820 -5.232 28.364 1.00 36.46 N ATOM 159 C4 DT C 2 19.548 -4.977 29.688 1.00 37.07 C ATOM 160 O4 DT C 2 18.420 -5.168 30.126 1.00 38.47 O ATOM 161 C5 DT C 2 20.662 -4.484 30.464 1.00 37.80 C ATOM 162 C7 DT C 2 20.457 -4.182 31.916 1.00 37.34 C ATOM 163 C6 DT C 2 21.838 -4.320 29.848 1.00 38.01 C ATOM 0 H5' DT C 2 25.989 -5.542 30.360 1.00 47.92 H new ATOM 0 H5'' DT C 2 26.997 -4.402 30.022 1.00 47.92 H new ATOM 0 H4' DT C 2 26.269 -5.151 28.042 1.00 44.69 H new ATOM 0 H3' DT C 2 25.988 -2.603 28.397 1.00 44.14 H new ATOM 0 H2' DT C 2 23.725 -2.629 28.957 1.00 44.22 H new ATOM 0 H2'' DT C 2 23.632 -2.370 27.422 1.00 44.22 H new ATOM 0 H1' DT C 2 23.220 -4.519 26.941 1.00 42.58 H new ATOM 0 H3 DT C 2 19.168 -5.528 27.888 1.00 36.46 H new ATOM 0 H71 DT C 2 19.538 -3.908 32.063 1.00 37.34 H new ATOM 0 H72 DT C 2 20.645 -4.975 32.441 1.00 37.34 H new ATOM 0 H73 DT C 2 21.054 -3.467 32.185 1.00 37.34 H new ATOM 0 H6 DT C 2 22.557 -4.004 30.347 1.00 38.01 H new ATOM 164 P DG C 3 25.871 -1.855 25.782 1.00 45.23 P ATOM 165 OP1 DG C 3 27.102 -1.925 24.937 1.00 43.19 O ATOM 166 OP2 DG C 3 25.685 -0.717 26.727 1.00 39.85 O ATOM 167 O5' DG C 3 24.570 -1.899 24.850 1.00 43.26 O ATOM 168 C5' DG C 3 24.381 -2.940 23.883 1.00 38.02 C ATOM 169 C4' DG C 3 23.109 -2.709 23.094 1.00 35.84 C ATOM 170 O4' DG C 3 21.960 -3.066 23.898 1.00 35.73 O ATOM 171 C3' DG C 3 22.858 -1.273 22.611 1.00 33.63 C ATOM 172 O3' DG C 3 22.284 -1.268 21.297 1.00 32.85 O ATOM 173 C2' DG C 3 21.824 -0.760 23.589 1.00 31.02 C ATOM 174 C1' DG C 3 21.017 -2.016 23.839 1.00 31.14 C ATOM 175 N9 DG C 3 20.278 -2.007 25.091 1.00 28.64 N ATOM 176 C8 DG C 3 20.781 -1.831 26.354 1.00 26.90 C ATOM 177 N7 DG C 3 19.856 -1.850 27.274 1.00 29.00 N ATOM 178 C5 DG C 3 18.675 -2.062 26.567 1.00 27.60 C ATOM 179 C6 DG C 3 17.338 -2.201 27.024 1.00 25.66 C ATOM 180 O6 DG C 3 16.919 -2.163 28.175 1.00 22.86 O ATOM 181 N1 DG C 3 16.456 -2.416 25.974 1.00 26.73 N ATOM 182 C2 DG C 3 16.817 -2.496 24.650 1.00 31.51 C ATOM 183 N2 DG C 3 15.827 -2.729 23.767 1.00 31.57 N ATOM 184 N3 DG C 3 18.062 -2.366 24.216 1.00 31.31 N ATOM 185 C4 DG C 3 18.929 -2.159 25.221 1.00 27.59 C ATOM 0 H5' DG C 3 24.339 -3.800 24.330 1.00 38.02 H new ATOM 0 H5'' DG C 3 25.140 -2.970 23.280 1.00 38.02 H new ATOM 0 H4' DG C 3 23.230 -3.263 22.307 1.00 35.84 H new ATOM 0 H3' DG C 3 23.673 -0.748 22.572 1.00 33.63 H new ATOM 0 H2' DG C 3 22.226 -0.414 24.401 1.00 31.02 H new ATOM 0 H2'' DG C 3 21.285 -0.046 23.213 1.00 31.02 H new ATOM 0 H1' DG C 3 20.356 -2.104 23.135 1.00 31.14 H new ATOM 0 H8 DG C 3 21.685 -1.711 26.536 1.00 26.90 H new ATOM 0 H1 DG C 3 15.622 -2.506 26.166 1.00 26.73 H new ATOM 0 H21 DG C 3 16.004 -2.787 22.928 1.00 31.57 H new ATOM 0 H22 DG C 3 15.017 -2.820 24.043 1.00 31.57 H new ATOM 186 P DT C 4 22.684 -0.107 20.255 1.00 32.81 P ATOM 187 OP1 DT C 4 22.725 -0.708 18.902 1.00 34.49 O ATOM 188 OP2 DT C 4 23.869 0.618 20.763 1.00 36.53 O ATOM 189 O5' DT C 4 21.470 0.918 20.301 1.00 33.73 O ATOM 190 C5' DT C 4 20.989 1.443 21.534 1.00 31.15 C ATOM 191 C4' DT C 4 19.542 1.838 21.377 1.00 30.29 C ATOM 192 O4' DT C 4 18.766 1.134 22.372 1.00 30.76 O ATOM 193 C3' DT C 4 19.200 3.322 21.509 1.00 30.31 C ATOM 194 O3' DT C 4 18.443 3.755 20.373 1.00 33.92 O ATOM 195 C2' DT C 4 18.373 3.395 22.786 1.00 29.58 C ATOM 196 C1' DT C 4 17.806 1.992 22.940 1.00 28.58 C ATOM 197 N1 DT C 4 17.618 1.582 24.346 1.00 28.71 N ATOM 198 C2 DT C 4 16.351 1.254 24.784 1.00 30.00 C ATOM 199 O2 DT C 4 15.390 1.113 24.040 1.00 31.73 O ATOM 200 N3 DT C 4 16.252 1.069 26.137 1.00 28.54 N ATOM 201 C4 DT C 4 17.266 1.129 27.065 1.00 26.49 C ATOM 202 O4 DT C 4 17.012 1.000 28.254 1.00 26.64 O ATOM 203 C5 DT C 4 18.576 1.367 26.525 1.00 27.52 C ATOM 204 C7 DT C 4 19.753 1.370 27.454 1.00 27.81 C ATOM 205 C6 DT C 4 18.685 1.582 25.208 1.00 26.92 C ATOM 0 H5' DT C 4 21.518 2.212 21.798 1.00 31.15 H new ATOM 0 H5'' DT C 4 21.080 0.781 22.237 1.00 31.15 H new ATOM 0 H4' DT C 4 19.334 1.606 20.458 1.00 30.29 H new ATOM 0 H3' DT C 4 19.982 3.894 21.547 1.00 30.31 H new ATOM 0 H2' DT C 4 18.919 3.643 23.549 1.00 29.58 H new ATOM 0 H2'' DT C 4 17.668 4.057 22.715 1.00 29.58 H new ATOM 0 H1' DT C 4 16.933 1.959 22.519 1.00 28.58 H new ATOM 0 H3 DT C 4 15.467 0.896 26.441 1.00 28.54 H new ATOM 0 H71 DT C 4 20.543 1.071 26.977 1.00 27.81 H new ATOM 0 H72 DT C 4 19.899 2.269 27.789 1.00 27.81 H new ATOM 0 H73 DT C 4 19.580 0.773 28.198 1.00 27.81 H new ATOM 0 H6 DT C 4 19.532 1.740 24.858 1.00 26.92 H new ATOM 206 P DC C 5 17.867 5.266 20.303 1.00 38.89 P ATOM 207 OP1 DC C 5 17.629 5.568 18.866 1.00 40.21 O ATOM 208 OP2 DC C 5 18.710 6.188 21.106 1.00 40.60 O ATOM 209 O5' DC C 5 16.437 5.154 20.998 1.00 39.28 O ATOM 210 C5' DC C 5 15.448 4.283 20.446 1.00 43.21 C ATOM 211 C4' DC C 5 14.121 4.478 21.138 1.00 43.75 C ATOM 212 O4' DC C 5 14.140 3.909 22.464 1.00 45.56 O ATOM 213 C3' DC C 5 13.702 5.935 21.318 1.00 45.59 C ATOM 214 O3' DC C 5 12.283 5.985 21.196 1.00 48.28 O ATOM 215 C2' DC C 5 14.093 6.226 22.753 1.00 44.20 C ATOM 216 C1' DC C 5 13.734 4.902 23.390 1.00 45.63 C ATOM 217 N1 DC C 5 14.366 4.622 24.687 1.00 45.05 N ATOM 218 C2 DC C 5 13.531 4.369 25.758 1.00 43.82 C ATOM 219 O2 DC C 5 12.312 4.351 25.556 1.00 44.75 O ATOM 220 N3 DC C 5 14.062 4.145 26.978 1.00 43.35 N ATOM 221 C4 DC C 5 15.388 4.136 27.134 1.00 44.11 C ATOM 222 N4 DC C 5 15.871 3.874 28.354 1.00 42.79 N ATOM 223 C5 DC C 5 16.276 4.384 26.044 1.00 42.13 C ATOM 224 C6 DC C 5 15.726 4.618 24.847 1.00 43.45 C ATOM 0 H5' DC C 5 15.734 3.361 20.539 1.00 43.21 H new ATOM 0 H5'' DC C 5 15.352 4.456 19.496 1.00 43.21 H new ATOM 0 H4' DC C 5 13.490 4.038 20.547 1.00 43.75 H new ATOM 0 H3' DC C 5 14.097 6.555 20.685 1.00 45.59 H new ATOM 0 H2' DC C 5 15.035 6.440 22.846 1.00 44.20 H new ATOM 0 H2'' DC C 5 13.595 6.968 23.131 1.00 44.20 H new ATOM 0 H1' DC C 5 12.783 4.918 23.581 1.00 45.63 H new ATOM 0 H41 DC C 5 16.721 3.861 28.486 1.00 42.79 H new ATOM 0 H42 DC C 5 15.332 3.719 29.006 1.00 42.79 H new ATOM 0 H5 DC C 5 17.199 4.383 26.161 1.00 42.13 H new ATOM 0 H6 DC C 5 16.275 4.780 24.114 1.00 43.45 H new ATOM 225 P DG C 6 11.545 7.395 21.045 1.00 47.42 P ATOM 226 OP1 DG C 6 10.530 7.210 19.982 1.00 49.98 O ATOM 227 OP2 DG C 6 12.583 8.457 20.904 1.00 45.65 O ATOM 228 O5' DG C 6 10.771 7.554 22.426 1.00 49.08 O ATOM 229 C5' DG C 6 9.599 6.786 22.700 1.00 49.65 C ATOM 230 C4' DG C 6 8.923 7.305 23.950 1.00 52.17 C ATOM 231 O4' DG C 6 9.672 6.926 25.134 1.00 51.96 O ATOM 232 C3' DG C 6 8.820 8.830 24.007 1.00 52.69 C ATOM 233 O3' DG C 6 7.679 9.158 24.821 1.00 53.09 O ATOM 234 C2' DG C 6 10.073 9.206 24.783 1.00 50.81 C ATOM 235 C1' DG C 6 10.097 8.096 25.819 1.00 49.04 C ATOM 236 N9 DG C 6 11.390 7.822 26.438 1.00 47.47 N ATOM 237 C8 DG C 6 12.634 7.847 25.846 1.00 47.39 C ATOM 238 N7 DG C 6 13.605 7.561 26.678 1.00 45.27 N ATOM 239 C5 DG C 6 12.964 7.332 27.889 1.00 45.02 C ATOM 240 C6 DG C 6 13.494 6.978 29.163 1.00 43.66 C ATOM 241 O6 DG C 6 14.682 6.811 29.487 1.00 42.74 O ATOM 242 N1 DG C 6 12.483 6.825 30.114 1.00 41.00 N ATOM 243 C2 DG C 6 11.140 6.996 29.876 1.00 42.49 C ATOM 244 N2 DG C 6 10.319 6.782 30.914 1.00 42.25 N ATOM 245 N3 DG C 6 10.635 7.344 28.702 1.00 44.88 N ATOM 246 C4 DG C 6 11.597 7.487 27.759 1.00 46.30 C ATOM 0 H5' DG C 6 9.834 5.852 22.814 1.00 49.65 H new ATOM 0 H5'' DG C 6 8.988 6.835 21.948 1.00 49.65 H new ATOM 0 H4' DG C 6 8.035 6.915 23.923 1.00 52.17 H new ATOM 0 H3' DG C 6 8.738 9.264 23.143 1.00 52.69 H new ATOM 0 H2' DG C 6 10.866 9.208 24.225 1.00 50.81 H new ATOM 0 H2'' DG C 6 10.008 10.086 25.186 1.00 50.81 H new ATOM 0 HO3' DG C 6 7.600 9.993 24.870 1.00 53.09 H new ATOM 0 H1' DG C 6 9.529 8.375 26.555 1.00 49.04 H new ATOM 0 H8 DG C 6 12.770 8.046 24.948 1.00 47.39 H new ATOM 0 H1 DG C 6 12.719 6.607 30.912 1.00 41.00 H new ATOM 0 H21 DG C 6 9.470 6.876 30.817 1.00 42.25 H new ATOM 0 H22 DG C 6 10.642 6.551 31.677 1.00 42.25 H new TER 247 DG C 6 ATOM 248 N GLU A 62 -6.622 -9.068 15.709 1.00 61.82 N ATOM 249 CA GLU A 62 -6.006 -8.020 14.837 1.00 59.99 C ATOM 250 C GLU A 62 -4.589 -8.380 14.353 1.00 58.17 C ATOM 251 O GLU A 62 -3.731 -7.511 14.187 1.00 58.25 O ATOM 252 CB GLU A 62 -6.004 -6.666 15.571 1.00 60.06 C ATOM 253 CG GLU A 62 -5.828 -6.750 17.089 1.00 58.69 C ATOM 254 CD GLU A 62 -5.771 -5.376 17.735 1.00 59.48 C ATOM 255 OE1 GLU A 62 -6.678 -4.551 17.485 1.00 60.98 O ATOM 256 OE2 GLU A 62 -4.820 -5.115 18.497 1.00 58.66 O ATOM 0 HA GLU A 62 -6.553 -7.961 14.038 1.00 59.99 H new ATOM 0 HB2 GLU A 62 -5.292 -6.118 15.207 1.00 60.06 H new ATOM 0 HB3 GLU A 62 -6.839 -6.210 15.381 1.00 60.06 H new ATOM 0 HG2 GLU A 62 -6.563 -7.255 17.471 1.00 58.69 H new ATOM 0 HG3 GLU A 62 -5.013 -7.236 17.293 1.00 58.69 H new ATOM 257 N ILE A 63 -4.354 -9.669 14.136 1.00 55.42 N ATOM 258 CA ILE A 63 -3.070 -10.141 13.645 1.00 53.09 C ATOM 259 C ILE A 63 -3.207 -10.261 12.137 1.00 53.05 C ATOM 260 O ILE A 63 -4.052 -11.015 11.656 1.00 53.66 O ATOM 261 CB ILE A 63 -2.726 -11.556 14.159 1.00 52.32 C ATOM 262 CG1 ILE A 63 -2.640 -11.571 15.682 1.00 52.32 C ATOM 263 CG2 ILE A 63 -1.421 -12.033 13.535 1.00 50.09 C ATOM 264 CD1 ILE A 63 -2.217 -12.923 16.248 1.00 50.18 C ATOM 0 H ILE A 63 -4.933 -10.291 14.269 1.00 55.42 H new ATOM 0 HA ILE A 63 -2.381 -9.526 13.941 1.00 53.09 H new ATOM 0 HB ILE A 63 -3.434 -12.165 13.897 1.00 52.32 H new ATOM 0 HG12 ILE A 63 -2.008 -10.894 15.971 1.00 52.32 H new ATOM 0 HG13 ILE A 63 -3.504 -11.329 16.051 1.00 52.32 H new ATOM 0 HG21 ILE A 63 -1.211 -12.922 13.862 1.00 50.09 H new ATOM 0 HG22 ILE A 63 -1.514 -12.058 12.570 1.00 50.09 H new ATOM 0 HG23 ILE A 63 -0.706 -11.424 13.775 1.00 50.09 H new ATOM 0 HD11 ILE A 63 -2.180 -12.872 17.216 1.00 50.18 H new ATOM 0 HD12 ILE A 63 -2.860 -13.600 15.985 1.00 50.18 H new ATOM 0 HD13 ILE A 63 -1.341 -13.159 15.904 1.00 50.18 H new ATOM 265 N ILE A 64 -2.397 -9.521 11.386 1.00 52.07 N ATOM 266 CA ILE A 64 -2.444 -9.617 9.934 1.00 50.75 C ATOM 267 C ILE A 64 -1.495 -10.734 9.531 1.00 50.97 C ATOM 268 O ILE A 64 -0.295 -10.521 9.376 1.00 49.89 O ATOM 269 CB ILE A 64 -2.014 -8.312 9.274 1.00 51.18 C ATOM 270 CG1 ILE A 64 -2.904 -7.174 9.785 1.00 50.99 C ATOM 271 CG2 ILE A 64 -2.088 -8.450 7.757 1.00 51.66 C ATOM 272 CD1 ILE A 64 -2.869 -5.928 8.941 1.00 52.15 C ATOM 0 H ILE A 64 -1.819 -8.963 11.695 1.00 52.07 H new ATOM 0 HA ILE A 64 -3.352 -9.798 9.645 1.00 50.75 H new ATOM 0 HB ILE A 64 -1.094 -8.106 9.504 1.00 51.18 H new ATOM 0 HG12 ILE A 64 -3.819 -7.492 9.835 1.00 50.99 H new ATOM 0 HG13 ILE A 64 -2.633 -6.947 10.688 1.00 50.99 H new ATOM 0 HG21 ILE A 64 -1.813 -7.617 7.342 1.00 51.66 H new ATOM 0 HG22 ILE A 64 -1.499 -9.164 7.468 1.00 51.66 H new ATOM 0 HG23 ILE A 64 -2.999 -8.656 7.495 1.00 51.66 H new ATOM 0 HD11 ILE A 64 -3.455 -5.258 9.328 1.00 52.15 H new ATOM 0 HD12 ILE A 64 -1.963 -5.584 8.909 1.00 52.15 H new ATOM 0 HD13 ILE A 64 -3.167 -6.137 8.042 1.00 52.15 H new ATOM 273 N TRP A 65 -2.049 -11.935 9.379 1.00 52.41 N ATOM 274 CA TRP A 65 -1.267 -13.122 9.028 1.00 51.35 C ATOM 275 C TRP A 65 -0.625 -13.069 7.652 1.00 49.90 C ATOM 276 O TRP A 65 0.310 -13.811 7.373 1.00 49.56 O ATOM 277 CB TRP A 65 -2.139 -14.370 9.135 1.00 51.41 C ATOM 278 CG TRP A 65 -2.738 -14.529 10.475 1.00 52.75 C ATOM 279 CD1 TRP A 65 -3.931 -14.024 10.906 1.00 53.87 C ATOM 280 CD2 TRP A 65 -2.154 -15.199 11.595 1.00 54.07 C ATOM 281 NE1 TRP A 65 -4.129 -14.338 12.234 1.00 54.24 N ATOM 282 CE2 TRP A 65 -3.053 -15.059 12.682 1.00 54.75 C ATOM 283 CE3 TRP A 65 -0.958 -15.902 11.791 1.00 54.27 C ATOM 284 CZ2 TRP A 65 -2.789 -15.600 13.950 1.00 54.83 C ATOM 285 CZ3 TRP A 65 -0.695 -16.439 13.057 1.00 55.11 C ATOM 286 CH2 TRP A 65 -1.610 -16.283 14.118 1.00 54.17 C ATOM 0 H TRP A 65 -2.890 -12.086 9.476 1.00 52.41 H new ATOM 0 HA TRP A 65 -0.536 -13.152 9.665 1.00 51.35 H new ATOM 0 HB2 TRP A 65 -2.845 -14.325 8.472 1.00 51.41 H new ATOM 0 HB3 TRP A 65 -1.605 -15.153 8.928 1.00 51.41 H new ATOM 0 HD1 TRP A 65 -4.524 -13.538 10.380 1.00 53.87 H new ATOM 0 HE1 TRP A 65 -4.815 -14.118 12.704 1.00 54.24 H new ATOM 0 HE3 TRP A 65 -0.351 -16.010 11.094 1.00 54.27 H new ATOM 0 HZ2 TRP A 65 -3.391 -15.499 14.651 1.00 54.83 H new ATOM 0 HZ3 TRP A 65 0.096 -16.906 13.200 1.00 55.11 H new ATOM 0 HH2 TRP A 65 -1.411 -16.650 14.949 1.00 54.17 H new ATOM 287 N GLU A 66 -1.146 -12.212 6.783 1.00 49.27 N ATOM 288 CA GLU A 66 -0.584 -12.073 5.447 1.00 48.20 C ATOM 289 C GLU A 66 0.536 -11.050 5.612 1.00 45.97 C ATOM 290 O GLU A 66 0.482 -9.928 5.090 1.00 46.21 O ATOM 291 CB GLU A 66 -1.649 -11.578 4.449 1.00 48.84 C ATOM 292 CG GLU A 66 -1.131 -11.459 3.015 1.00 48.91 C ATOM 293 CD GLU A 66 -2.227 -11.219 1.990 1.00 49.45 C ATOM 294 OE1 GLU A 66 -3.146 -12.060 1.883 1.00 49.65 O ATOM 295 OE2 GLU A 66 -2.159 -10.191 1.283 1.00 49.44 O ATOM 0 H GLU A 66 -1.821 -11.705 6.946 1.00 49.27 H new ATOM 0 HA GLU A 66 -0.261 -12.916 5.091 1.00 48.20 H new ATOM 0 HB2 GLU A 66 -2.404 -12.187 4.463 1.00 48.84 H new ATOM 0 HB3 GLU A 66 -1.977 -10.713 4.740 1.00 48.84 H new ATOM 0 HG2 GLU A 66 -0.491 -10.731 2.970 1.00 48.91 H new ATOM 0 HG3 GLU A 66 -0.654 -12.271 2.783 1.00 48.91 H new ATOM 296 N SER A 67 1.551 -11.450 6.366 1.00 42.20 N ATOM 297 CA SER A 67 2.674 -10.575 6.628 1.00 39.64 C ATOM 298 C SER A 67 3.953 -11.343 6.827 1.00 36.55 C ATOM 299 O SER A 67 3.976 -12.566 6.796 1.00 35.13 O ATOM 300 CB SER A 67 2.408 -9.751 7.878 1.00 40.48 C ATOM 301 OG SER A 67 2.274 -10.608 9.000 1.00 43.17 O ATOM 0 H SER A 67 1.605 -12.225 6.734 1.00 42.20 H new ATOM 0 HA SER A 67 2.775 -10.001 5.853 1.00 39.64 H new ATOM 0 HB2 SER A 67 3.135 -9.125 8.024 1.00 40.48 H new ATOM 0 HB3 SER A 67 1.600 -9.226 7.763 1.00 40.48 H new ATOM 0 HG SER A 67 1.463 -10.790 9.119 1.00 43.17 H new ATOM 302 N LEU A 68 5.018 -10.591 7.045 1.00 35.37 N ATOM 303 CA LEU A 68 6.331 -11.154 7.266 1.00 35.41 C ATOM 304 C LEU A 68 6.785 -10.799 8.688 1.00 36.20 C ATOM 305 O LEU A 68 6.925 -9.619 9.015 1.00 37.86 O ATOM 306 CB LEU A 68 7.305 -10.553 6.270 1.00 32.87 C ATOM 307 CG LEU A 68 8.682 -11.186 6.296 1.00 33.35 C ATOM 308 CD1 LEU A 68 8.692 -12.346 5.306 1.00 34.30 C ATOM 309 CD2 LEU A 68 9.734 -10.169 5.941 1.00 32.21 C ATOM 0 H LEU A 68 4.997 -9.732 7.069 1.00 35.37 H new ATOM 0 HA LEU A 68 6.303 -12.117 7.155 1.00 35.41 H new ATOM 0 HB2 LEU A 68 6.936 -10.640 5.377 1.00 32.87 H new ATOM 0 HB3 LEU A 68 7.392 -9.604 6.449 1.00 32.87 H new ATOM 0 HG LEU A 68 8.883 -11.514 7.186 1.00 33.35 H new ATOM 0 HD11 LEU A 68 9.567 -12.765 5.308 1.00 34.30 H new ATOM 0 HD12 LEU A 68 8.021 -12.997 5.564 1.00 34.30 H new ATOM 0 HD13 LEU A 68 8.495 -12.014 4.416 1.00 34.30 H new ATOM 0 HD21 LEU A 68 10.609 -10.587 5.962 1.00 32.21 H new ATOM 0 HD22 LEU A 68 9.562 -9.823 5.051 1.00 32.21 H new ATOM 0 HD23 LEU A 68 9.709 -9.441 6.581 1.00 32.21 H new ATOM 310 N SER A 69 7.007 -11.794 9.540 1.00 34.75 N ATOM 311 CA SER A 69 7.464 -11.489 10.892 1.00 34.92 C ATOM 312 C SER A 69 8.949 -11.771 11.021 1.00 34.97 C ATOM 313 O SER A 69 9.408 -12.870 10.737 1.00 34.85 O ATOM 314 CB SER A 69 6.679 -12.294 11.924 1.00 34.40 C ATOM 315 OG SER A 69 5.383 -11.742 12.090 1.00 34.27 O ATOM 0 H SER A 69 6.903 -12.629 9.364 1.00 34.75 H new ATOM 0 HA SER A 69 7.309 -10.546 11.061 1.00 34.92 H new ATOM 0 HB2 SER A 69 6.610 -13.219 11.639 1.00 34.40 H new ATOM 0 HB3 SER A 69 7.150 -12.293 12.772 1.00 34.40 H new ATOM 0 HG SER A 69 4.911 -11.928 11.420 1.00 34.27 H new ATOM 316 N VAL A 70 9.708 -10.770 11.444 1.00 35.81 N ATOM 317 CA VAL A 70 11.147 -10.940 11.578 1.00 35.89 C ATOM 318 C VAL A 70 11.602 -10.808 13.021 1.00 37.72 C ATOM 319 O VAL A 70 11.037 -10.041 13.792 1.00 37.71 O ATOM 320 CB VAL A 70 11.913 -9.902 10.728 1.00 34.09 C ATOM 321 CG1 VAL A 70 11.379 -9.898 9.308 1.00 32.63 C ATOM 322 CG2 VAL A 70 11.801 -8.530 11.346 1.00 32.25 C ATOM 0 H VAL A 70 9.413 -9.991 11.657 1.00 35.81 H new ATOM 0 HA VAL A 70 11.345 -11.836 11.263 1.00 35.89 H new ATOM 0 HB VAL A 70 12.851 -10.146 10.704 1.00 34.09 H new ATOM 0 HG11 VAL A 70 11.865 -9.244 8.781 1.00 32.63 H new ATOM 0 HG12 VAL A 70 11.494 -10.778 8.916 1.00 32.63 H new ATOM 0 HG13 VAL A 70 10.436 -9.669 9.317 1.00 32.63 H new ATOM 0 HG21 VAL A 70 12.286 -7.889 10.802 1.00 32.25 H new ATOM 0 HG22 VAL A 70 10.867 -8.272 11.394 1.00 32.25 H new ATOM 0 HG23 VAL A 70 12.178 -8.546 12.240 1.00 32.25 H new ATOM 323 N ASP A 71 12.612 -11.582 13.392 1.00 40.74 N ATOM 324 CA ASP A 71 13.153 -11.506 14.741 1.00 44.60 C ATOM 325 C ASP A 71 14.626 -11.882 14.785 1.00 44.47 C ATOM 326 O ASP A 71 15.137 -12.573 13.903 1.00 43.13 O ATOM 327 CB ASP A 71 12.369 -12.379 15.729 1.00 45.94 C ATOM 328 CG ASP A 71 12.955 -12.321 17.135 1.00 48.64 C ATOM 329 OD1 ASP A 71 13.207 -11.206 17.647 1.00 49.28 O ATOM 330 OD2 ASP A 71 13.171 -13.393 17.737 1.00 53.31 O ATOM 0 H ASP A 71 12.997 -12.156 12.880 1.00 40.74 H new ATOM 0 HA ASP A 71 13.062 -10.579 15.012 1.00 44.60 H new ATOM 0 HB2 ASP A 71 11.444 -12.087 15.753 1.00 45.94 H new ATOM 0 HB3 ASP A 71 12.369 -13.298 15.418 1.00 45.94 H new ATOM 331 N VAL A 72 15.300 -11.405 15.824 1.00 45.39 N ATOM 332 CA VAL A 72 16.713 -11.658 15.997 1.00 46.68 C ATOM 333 C VAL A 72 16.988 -12.610 17.154 1.00 46.15 C ATOM 334 O VAL A 72 16.266 -12.640 18.150 1.00 45.46 O ATOM 335 CB VAL A 72 17.477 -10.321 16.214 1.00 47.65 C ATOM 336 CG1 VAL A 72 16.842 -9.536 17.332 1.00 48.83 C ATOM 337 CG2 VAL A 72 18.927 -10.584 16.553 1.00 49.79 C ATOM 0 H VAL A 72 14.947 -10.927 16.445 1.00 45.39 H new ATOM 0 HA VAL A 72 17.031 -12.084 15.186 1.00 46.68 H new ATOM 0 HB VAL A 72 17.431 -9.810 15.391 1.00 47.65 H new ATOM 0 HG11 VAL A 72 17.325 -8.705 17.459 1.00 48.83 H new ATOM 0 HG12 VAL A 72 15.919 -9.341 17.107 1.00 48.83 H new ATOM 0 HG13 VAL A 72 16.872 -10.056 18.150 1.00 48.83 H new ATOM 0 HG21 VAL A 72 19.387 -9.740 16.685 1.00 49.79 H new ATOM 0 HG22 VAL A 72 18.979 -11.110 17.366 1.00 49.79 H new ATOM 0 HG23 VAL A 72 19.346 -11.070 15.826 1.00 49.79 H new ATOM 338 N GLY A 73 18.025 -13.419 16.977 1.00 47.26 N ATOM 339 CA GLY A 73 18.453 -14.356 17.996 1.00 47.05 C ATOM 340 C GLY A 73 19.902 -14.007 18.275 1.00 46.88 C ATOM 341 O GLY A 73 20.717 -13.954 17.355 1.00 47.53 O ATOM 0 H GLY A 73 18.499 -13.437 16.260 1.00 47.26 H new ATOM 0 HA2 GLY A 73 17.912 -14.273 18.797 1.00 47.05 H new ATOM 0 HA3 GLY A 73 18.366 -15.272 17.688 1.00 47.05 H new ATOM 342 N SER A 74 20.236 -13.737 19.529 1.00 46.47 N ATOM 343 CA SER A 74 21.611 -13.388 19.854 1.00 45.81 C ATOM 344 C SER A 74 22.091 -14.170 21.054 1.00 45.76 C ATOM 345 O SER A 74 21.320 -14.848 21.729 1.00 45.32 O ATOM 346 CB SER A 74 21.743 -11.881 20.142 1.00 45.32 C ATOM 347 OG SER A 74 21.032 -11.489 21.312 1.00 45.73 O ATOM 0 H SER A 74 19.693 -13.749 20.196 1.00 46.47 H new ATOM 0 HA SER A 74 22.159 -13.612 19.086 1.00 45.81 H new ATOM 0 HB2 SER A 74 22.681 -11.655 20.245 1.00 45.32 H new ATOM 0 HB3 SER A 74 21.412 -11.378 19.381 1.00 45.32 H new ATOM 0 HG SER A 74 21.129 -10.664 21.436 1.00 45.73 H new ATOM 348 N GLN A 75 23.385 -14.069 21.304 1.00 46.58 N ATOM 349 CA GLN A 75 24.014 -14.733 22.428 1.00 46.92 C ATOM 350 C GLN A 75 24.806 -13.613 23.077 1.00 45.39 C ATOM 351 O GLN A 75 25.875 -13.239 22.595 1.00 45.23 O ATOM 352 CB GLN A 75 24.945 -15.837 21.929 1.00 49.36 C ATOM 353 CG GLN A 75 25.473 -16.755 23.020 1.00 52.76 C ATOM 354 CD GLN A 75 26.457 -17.778 22.484 1.00 55.34 C ATOM 355 OE1 GLN A 75 26.179 -18.472 21.499 1.00 55.55 O ATOM 356 NE2 GLN A 75 27.616 -17.878 23.130 1.00 55.41 N ATOM 0 H GLN A 75 23.928 -13.609 20.821 1.00 46.58 H new ATOM 0 HA GLN A 75 23.388 -15.159 23.034 1.00 46.92 H new ATOM 0 HB2 GLN A 75 24.472 -16.372 21.273 1.00 49.36 H new ATOM 0 HB3 GLN A 75 25.697 -15.429 21.473 1.00 49.36 H new ATOM 0 HG2 GLN A 75 25.904 -16.223 23.707 1.00 52.76 H new ATOM 0 HG3 GLN A 75 24.730 -17.214 23.442 1.00 52.76 H new ATOM 0 HE21 GLN A 75 27.773 -17.378 23.812 1.00 55.41 H new ATOM 0 HE22 GLN A 75 28.208 -18.443 22.866 1.00 55.41 H new ATOM 357 N GLY A 76 24.279 -13.064 24.163 1.00 43.78 N ATOM 358 CA GLY A 76 24.967 -11.958 24.799 1.00 43.78 C ATOM 359 C GLY A 76 24.724 -10.700 23.980 1.00 42.80 C ATOM 360 O GLY A 76 24.556 -10.765 22.755 1.00 43.04 O ATOM 0 H GLY A 76 23.545 -13.310 24.537 1.00 43.78 H new ATOM 0 HA2 GLY A 76 24.644 -11.837 25.706 1.00 43.78 H new ATOM 0 HA3 GLY A 76 25.917 -12.142 24.859 1.00 43.78 H new ATOM 361 N ASN A 77 24.715 -9.554 24.651 1.00 40.94 N ATOM 362 CA ASN A 77 24.476 -8.276 23.985 1.00 39.85 C ATOM 363 C ASN A 77 25.417 -7.184 24.535 1.00 40.54 C ATOM 364 O ASN A 77 25.276 -6.750 25.684 1.00 41.24 O ATOM 365 CB ASN A 77 22.999 -7.903 24.181 1.00 37.36 C ATOM 366 CG ASN A 77 22.619 -6.634 23.480 1.00 34.92 C ATOM 367 OD1 ASN A 77 22.946 -6.436 22.309 1.00 35.72 O ATOM 368 ND2 ASN A 77 21.911 -5.767 24.179 1.00 32.64 N ATOM 0 H ASN A 77 24.846 -9.493 25.499 1.00 40.94 H new ATOM 0 HA ASN A 77 24.666 -8.352 23.037 1.00 39.85 H new ATOM 0 HB2 ASN A 77 22.442 -8.627 23.855 1.00 37.36 H new ATOM 0 HB3 ASN A 77 22.817 -7.810 25.129 1.00 37.36 H new ATOM 0 HD21 ASN A 77 21.659 -5.028 23.819 1.00 32.64 H new ATOM 0 HD22 ASN A 77 21.702 -5.941 24.995 1.00 32.64 H new ATOM 369 N PRO A 78 26.390 -6.731 23.719 1.00 39.94 N ATOM 370 CA PRO A 78 26.637 -7.186 22.351 1.00 41.14 C ATOM 371 C PRO A 78 27.229 -8.586 22.268 1.00 41.97 C ATOM 372 O PRO A 78 27.639 -9.159 23.270 1.00 41.70 O ATOM 373 CB PRO A 78 27.557 -6.098 21.781 1.00 39.78 C ATOM 374 CG PRO A 78 28.292 -5.631 22.970 1.00 38.98 C ATOM 375 CD PRO A 78 27.235 -5.572 24.040 1.00 39.61 C ATOM 0 HA PRO A 78 25.818 -7.286 21.842 1.00 41.14 H new ATOM 0 HB2 PRO A 78 28.155 -6.452 21.104 1.00 39.78 H new ATOM 0 HB3 PRO A 78 27.052 -5.381 21.366 1.00 39.78 H new ATOM 0 HG2 PRO A 78 29.008 -6.240 23.209 1.00 38.98 H new ATOM 0 HG3 PRO A 78 28.697 -4.762 22.821 1.00 38.98 H new ATOM 0 HD2 PRO A 78 27.617 -5.639 24.929 1.00 39.61 H new ATOM 0 HD3 PRO A 78 26.735 -4.741 24.008 1.00 39.61 H new ATOM 376 N GLY A 79 27.256 -9.141 21.062 1.00 44.38 N ATOM 377 CA GLY A 79 27.786 -10.481 20.874 1.00 46.34 C ATOM 378 C GLY A 79 27.328 -11.105 19.568 1.00 47.05 C ATOM 379 O GLY A 79 26.942 -10.404 18.633 1.00 47.42 O ATOM 0 H GLY A 79 26.974 -8.760 20.345 1.00 44.38 H new ATOM 0 HA2 GLY A 79 28.755 -10.448 20.892 1.00 46.34 H new ATOM 0 HA3 GLY A 79 27.507 -11.043 21.614 1.00 46.34 H new ATOM 380 N ILE A 80 27.380 -12.427 19.498 1.00 47.04 N ATOM 381 CA ILE A 80 26.968 -13.126 18.298 1.00 49.30 C ATOM 382 C ILE A 80 25.504 -12.827 18.010 1.00 49.76 C ATOM 383 O ILE A 80 24.635 -13.064 18.848 1.00 51.51 O ATOM 384 CB ILE A 80 27.233 -14.641 18.442 1.00 50.89 C ATOM 385 CG1 ILE A 80 28.695 -14.906 18.028 1.00 51.50 C ATOM 386 CG2 ILE A 80 26.212 -15.459 17.644 1.00 51.29 C ATOM 387 CD1 ILE A 80 29.114 -16.356 17.998 1.00 51.99 C ATOM 0 H ILE A 80 27.651 -12.936 20.136 1.00 47.04 H new ATOM 0 HA ILE A 80 27.490 -12.815 17.542 1.00 49.30 H new ATOM 0 HB ILE A 80 27.118 -14.928 19.362 1.00 50.89 H new ATOM 0 HG12 ILE A 80 28.838 -14.527 17.147 1.00 51.50 H new ATOM 0 HG13 ILE A 80 29.278 -14.430 18.640 1.00 51.50 H new ATOM 0 HG21 ILE A 80 26.400 -16.405 17.751 1.00 51.29 H new ATOM 0 HG22 ILE A 80 25.319 -15.269 17.970 1.00 51.29 H new ATOM 0 HG23 ILE A 80 26.270 -15.222 16.705 1.00 51.29 H new ATOM 0 HD11 ILE A 80 30.044 -16.419 17.728 1.00 51.99 H new ATOM 0 HD12 ILE A 80 29.008 -16.742 18.881 1.00 51.99 H new ATOM 0 HD13 ILE A 80 28.561 -16.840 17.365 1.00 51.99 H new ATOM 388 N VAL A 81 25.249 -12.294 16.817 1.00 48.77 N ATOM 389 CA VAL A 81 23.908 -11.902 16.399 1.00 47.98 C ATOM 390 C VAL A 81 23.395 -12.521 15.096 1.00 48.03 C ATOM 391 O VAL A 81 24.153 -12.752 14.148 1.00 47.02 O ATOM 392 CB VAL A 81 23.841 -10.365 16.257 1.00 48.02 C ATOM 393 CG1 VAL A 81 22.668 -9.958 15.390 1.00 48.84 C ATOM 394 CG2 VAL A 81 23.721 -9.732 17.621 1.00 49.08 C ATOM 0 H VAL A 81 25.855 -12.149 16.224 1.00 48.77 H new ATOM 0 HA VAL A 81 23.331 -12.245 17.099 1.00 47.98 H new ATOM 0 HB VAL A 81 24.656 -10.057 15.831 1.00 48.02 H new ATOM 0 HG11 VAL A 81 22.643 -8.991 15.313 1.00 48.84 H new ATOM 0 HG12 VAL A 81 22.766 -10.350 14.508 1.00 48.84 H new ATOM 0 HG13 VAL A 81 21.843 -10.271 15.793 1.00 48.84 H new ATOM 0 HG21 VAL A 81 23.679 -8.767 17.528 1.00 49.08 H new ATOM 0 HG22 VAL A 81 22.914 -10.050 18.056 1.00 49.08 H new ATOM 0 HG23 VAL A 81 24.492 -9.971 18.158 1.00 49.08 H new ATOM 395 N GLU A 82 22.092 -12.786 15.065 1.00 47.95 N ATOM 396 CA GLU A 82 21.437 -13.329 13.881 1.00 47.92 C ATOM 397 C GLU A 82 19.942 -13.023 13.888 1.00 48.10 C ATOM 398 O GLU A 82 19.343 -12.781 14.934 1.00 46.60 O ATOM 399 CB GLU A 82 21.651 -14.837 13.762 1.00 46.45 C ATOM 400 CG GLU A 82 21.063 -15.667 14.872 1.00 47.30 C ATOM 401 CD GLU A 82 21.001 -17.134 14.487 1.00 49.14 C ATOM 402 OE1 GLU A 82 20.745 -17.986 15.366 1.00 47.41 O ATOM 403 OE2 GLU A 82 21.204 -17.433 13.288 1.00 51.15 O ATOM 0 H GLU A 82 21.563 -12.656 15.731 1.00 47.95 H new ATOM 0 HA GLU A 82 21.843 -12.898 13.113 1.00 47.92 H new ATOM 0 HB2 GLU A 82 21.272 -15.136 12.921 1.00 46.45 H new ATOM 0 HB3 GLU A 82 22.605 -15.010 13.721 1.00 46.45 H new ATOM 0 HG2 GLU A 82 21.597 -15.563 15.675 1.00 47.30 H new ATOM 0 HG3 GLU A 82 20.172 -15.347 15.081 1.00 47.30 H new ATOM 404 N TYR A 83 19.347 -13.026 12.703 1.00 48.24 N ATOM 405 CA TYR A 83 17.931 -12.743 12.569 1.00 46.45 C ATOM 406 C TYR A 83 17.351 -13.597 11.457 1.00 46.83 C ATOM 407 O TYR A 83 18.083 -14.272 10.733 1.00 47.55 O ATOM 408 CB TYR A 83 17.727 -11.263 12.257 1.00 44.97 C ATOM 409 CG TYR A 83 18.331 -10.817 10.942 1.00 43.50 C ATOM 410 CD1 TYR A 83 17.789 -11.219 9.724 1.00 42.82 C ATOM 411 CD2 TYR A 83 19.429 -9.968 10.918 1.00 43.60 C ATOM 412 CE1 TYR A 83 18.327 -10.779 8.522 1.00 40.89 C ATOM 413 CE2 TYR A 83 19.973 -9.527 9.724 1.00 41.86 C ATOM 414 CZ TYR A 83 19.417 -9.932 8.534 1.00 41.10 C ATOM 415 OH TYR A 83 19.947 -9.471 7.356 1.00 41.99 O ATOM 0 H TYR A 83 19.750 -13.191 11.961 1.00 48.24 H new ATOM 0 HA TYR A 83 17.478 -12.951 13.401 1.00 46.45 H new ATOM 0 HB2 TYR A 83 16.776 -11.073 12.245 1.00 44.97 H new ATOM 0 HB3 TYR A 83 18.113 -10.736 12.974 1.00 44.97 H new ATOM 0 HD1 TYR A 83 17.056 -11.791 9.715 1.00 42.82 H new ATOM 0 HD2 TYR A 83 19.807 -9.690 11.721 1.00 43.60 H new ATOM 0 HE1 TYR A 83 17.956 -11.053 7.715 1.00 40.89 H new ATOM 0 HE2 TYR A 83 20.710 -8.960 9.727 1.00 41.86 H new ATOM 0 HH TYR A 83 19.456 -9.706 6.716 1.00 41.99 H new ATOM 416 N LYS A 84 16.033 -13.561 11.318 1.00 46.21 N ATOM 417 CA LYS A 84 15.378 -14.339 10.293 1.00 45.45 C ATOM 418 C LYS A 84 13.949 -13.859 10.101 1.00 46.60 C ATOM 419 O LYS A 84 13.304 -13.420 11.053 1.00 47.98 O ATOM 420 CB LYS A 84 15.372 -15.824 10.674 1.00 44.39 C ATOM 421 CG LYS A 84 14.340 -16.220 11.731 1.00 42.81 C ATOM 422 CD LYS A 84 14.021 -17.706 11.606 1.00 42.54 C ATOM 423 CE LYS A 84 13.073 -18.226 12.690 1.00 44.80 C ATOM 424 NZ LYS A 84 13.729 -18.442 14.023 1.00 44.12 N ATOM 0 H LYS A 84 15.505 -13.092 11.809 1.00 46.21 H new ATOM 0 HA LYS A 84 15.867 -14.225 9.463 1.00 45.45 H new ATOM 0 HB2 LYS A 84 15.212 -16.348 9.874 1.00 44.39 H new ATOM 0 HB3 LYS A 84 16.254 -16.064 10.998 1.00 44.39 H new ATOM 0 HG2 LYS A 84 14.682 -16.027 12.618 1.00 42.81 H new ATOM 0 HG3 LYS A 84 13.531 -15.696 11.619 1.00 42.81 H new ATOM 0 HD2 LYS A 84 13.626 -17.872 10.736 1.00 42.54 H new ATOM 0 HD3 LYS A 84 14.849 -18.210 11.642 1.00 42.54 H new ATOM 0 HE2 LYS A 84 12.343 -17.596 12.797 1.00 44.80 H new ATOM 0 HE3 LYS A 84 12.684 -19.063 12.392 1.00 44.80 H new ATOM 0 HZ1 LYS A 84 13.716 -19.309 14.224 1.00 44.12 H new ATOM 0 HZ2 LYS A 84 14.572 -18.159 13.989 1.00 44.12 H new ATOM 0 HZ3 LYS A 84 13.289 -17.987 14.648 1.00 44.12 H new ATOM 425 N GLY A 85 13.462 -13.943 8.866 1.00 45.86 N ATOM 426 CA GLY A 85 12.107 -13.528 8.574 1.00 44.39 C ATOM 427 C GLY A 85 11.330 -14.776 8.256 1.00 44.34 C ATOM 428 O GLY A 85 11.915 -15.749 7.797 1.00 44.59 O ATOM 0 H GLY A 85 13.903 -14.237 8.189 1.00 45.86 H new ATOM 0 HA2 GLY A 85 11.718 -13.064 9.332 1.00 44.39 H new ATOM 0 HA3 GLY A 85 12.090 -12.912 7.825 1.00 44.39 H new ATOM 429 N VAL A 86 10.025 -14.752 8.510 1.00 45.10 N ATOM 430 CA VAL A 86 9.149 -15.892 8.256 1.00 44.17 C ATOM 431 C VAL A 86 7.733 -15.417 7.959 1.00 45.94 C ATOM 432 O VAL A 86 7.371 -14.271 8.255 1.00 45.20 O ATOM 433 CB VAL A 86 9.072 -16.849 9.471 1.00 42.37 C ATOM 434 CG1 VAL A 86 10.467 -17.302 9.862 1.00 43.46 C ATOM 435 CG2 VAL A 86 8.378 -16.166 10.642 1.00 39.62 C ATOM 0 H VAL A 86 9.620 -14.068 8.837 1.00 45.10 H new ATOM 0 HA VAL A 86 9.526 -16.364 7.497 1.00 44.17 H new ATOM 0 HB VAL A 86 8.551 -17.629 9.225 1.00 42.37 H new ATOM 0 HG11 VAL A 86 10.412 -17.901 10.623 1.00 43.46 H new ATOM 0 HG12 VAL A 86 10.878 -17.766 9.116 1.00 43.46 H new ATOM 0 HG13 VAL A 86 11.004 -16.529 10.097 1.00 43.46 H new ATOM 0 HG21 VAL A 86 8.337 -16.776 11.395 1.00 39.62 H new ATOM 0 HG22 VAL A 86 8.876 -15.373 10.896 1.00 39.62 H new ATOM 0 HG23 VAL A 86 7.478 -15.913 10.382 1.00 39.62 H new ATOM 436 N ASP A 87 6.944 -16.308 7.361 1.00 47.59 N ATOM 437 CA ASP A 87 5.553 -16.022 7.037 1.00 48.63 C ATOM 438 C ASP A 87 4.858 -16.047 8.391 1.00 49.05 C ATOM 439 O ASP A 87 4.895 -17.052 9.103 1.00 48.69 O ATOM 440 CB ASP A 87 4.999 -17.100 6.078 1.00 48.43 C ATOM 441 CG ASP A 87 3.483 -16.993 5.863 1.00 49.87 C ATOM 442 OD1 ASP A 87 2.724 -17.537 6.701 1.00 47.69 O ATOM 443 OD2 ASP A 87 3.051 -16.363 4.861 1.00 49.21 O ATOM 0 H ASP A 87 7.203 -17.096 7.133 1.00 47.59 H new ATOM 0 HA ASP A 87 5.423 -15.176 6.580 1.00 48.63 H new ATOM 0 HB2 ASP A 87 5.448 -17.025 5.221 1.00 48.43 H new ATOM 0 HB3 ASP A 87 5.209 -17.978 6.432 1.00 48.43 H new ATOM 444 N THR A 88 4.254 -14.921 8.747 1.00 50.26 N ATOM 445 CA THR A 88 3.582 -14.768 10.029 1.00 51.91 C ATOM 446 C THR A 88 2.620 -15.901 10.347 1.00 53.90 C ATOM 447 O THR A 88 2.275 -16.123 11.502 1.00 55.61 O ATOM 448 CB THR A 88 2.825 -13.427 10.082 1.00 50.45 C ATOM 449 OG1 THR A 88 3.740 -12.357 9.827 1.00 50.18 O ATOM 450 CG2 THR A 88 2.202 -13.216 11.440 1.00 50.74 C ATOM 0 H THR A 88 4.222 -14.221 8.249 1.00 50.26 H new ATOM 0 HA THR A 88 4.281 -14.789 10.701 1.00 51.91 H new ATOM 0 HB THR A 88 2.124 -13.444 9.411 1.00 50.45 H new ATOM 0 HG1 THR A 88 3.321 -11.698 9.518 1.00 50.18 H new ATOM 0 HG21 THR A 88 1.731 -12.368 11.452 1.00 50.74 H new ATOM 0 HG22 THR A 88 1.577 -13.935 11.625 1.00 50.74 H new ATOM 0 HG23 THR A 88 2.896 -13.210 12.117 1.00 50.74 H new ATOM 451 N LYS A 89 2.198 -16.637 9.331 1.00 55.56 N ATOM 452 CA LYS A 89 1.265 -17.724 9.563 1.00 56.83 C ATOM 453 C LYS A 89 1.872 -19.113 9.416 1.00 57.11 C ATOM 454 O LYS A 89 1.905 -19.869 10.383 1.00 57.62 O ATOM 455 CB LYS A 89 0.066 -17.555 8.635 1.00 58.45 C ATOM 456 CG LYS A 89 -0.787 -18.790 8.405 1.00 58.98 C ATOM 457 CD LYS A 89 -1.923 -18.426 7.461 1.00 59.07 C ATOM 458 CE LYS A 89 -1.404 -17.624 6.268 1.00 60.08 C ATOM 459 NZ LYS A 89 -2.485 -16.978 5.454 1.00 61.73 N ATOM 0 H LYS A 89 2.435 -16.526 8.512 1.00 55.56 H new ATOM 0 HA LYS A 89 0.991 -17.668 10.492 1.00 56.83 H new ATOM 0 HB2 LYS A 89 -0.502 -16.856 8.995 1.00 58.45 H new ATOM 0 HB3 LYS A 89 0.388 -17.243 7.775 1.00 58.45 H new ATOM 0 HG2 LYS A 89 -0.250 -19.504 8.027 1.00 58.98 H new ATOM 0 HG3 LYS A 89 -1.141 -19.117 9.247 1.00 58.98 H new ATOM 0 HD2 LYS A 89 -2.360 -19.234 7.148 1.00 59.07 H new ATOM 0 HD3 LYS A 89 -2.591 -17.909 7.937 1.00 59.07 H new ATOM 0 HE2 LYS A 89 -0.799 -16.937 6.590 1.00 60.08 H new ATOM 0 HE3 LYS A 89 -0.887 -18.211 5.695 1.00 60.08 H new ATOM 0 HZ1 LYS A 89 -2.120 -16.529 4.778 1.00 61.73 H new ATOM 0 HZ2 LYS A 89 -3.030 -17.604 5.133 1.00 61.73 H new ATOM 0 HZ3 LYS A 89 -2.948 -16.417 5.967 1.00 61.73 H new ATOM 460 N THR A 90 2.359 -19.448 8.224 1.00 56.58 N ATOM 461 CA THR A 90 2.937 -20.769 7.990 1.00 56.92 C ATOM 462 C THR A 90 4.228 -21.008 8.761 1.00 57.64 C ATOM 463 O THR A 90 4.691 -22.143 8.855 1.00 58.50 O ATOM 464 CB THR A 90 3.264 -21.008 6.515 1.00 55.96 C ATOM 465 OG1 THR A 90 4.511 -20.385 6.204 1.00 57.39 O ATOM 466 CG2 THR A 90 2.198 -20.427 5.629 1.00 55.31 C ATOM 0 H THR A 90 2.365 -18.927 7.540 1.00 56.58 H new ATOM 0 HA THR A 90 2.249 -21.380 8.298 1.00 56.92 H new ATOM 0 HB THR A 90 3.313 -21.965 6.362 1.00 55.96 H new ATOM 0 HG1 THR A 90 4.464 -20.028 5.445 1.00 57.39 H new ATOM 0 HG21 THR A 90 2.425 -20.590 4.700 1.00 55.31 H new ATOM 0 HG22 THR A 90 1.346 -20.844 5.831 1.00 55.31 H new ATOM 0 HG23 THR A 90 2.134 -19.471 5.783 1.00 55.31 H new ATOM 467 N GLY A 91 4.818 -19.945 9.300 1.00 58.05 N ATOM 468 CA GLY A 91 6.063 -20.094 10.038 1.00 57.74 C ATOM 469 C GLY A 91 7.230 -20.414 9.123 1.00 57.37 C ATOM 470 O GLY A 91 8.372 -20.529 9.563 1.00 56.92 O ATOM 0 H GLY A 91 4.518 -19.141 9.250 1.00 58.05 H new ATOM 0 HA2 GLY A 91 6.249 -19.276 10.525 1.00 57.74 H new ATOM 0 HA3 GLY A 91 5.966 -20.800 10.696 1.00 57.74 H new ATOM 471 N GLU A 92 6.939 -20.566 7.838 1.00 56.93 N ATOM 472 CA GLU A 92 7.972 -20.855 6.853 1.00 57.52 C ATOM 473 C GLU A 92 9.113 -19.840 6.913 1.00 57.42 C ATOM 474 O GLU A 92 8.891 -18.636 6.881 1.00 57.70 O ATOM 475 CB GLU A 92 7.357 -20.853 5.460 1.00 58.13 C ATOM 476 CG GLU A 92 8.343 -20.679 4.326 1.00 59.71 C ATOM 477 CD GLU A 92 7.669 -20.841 2.975 1.00 61.51 C ATOM 478 OE1 GLU A 92 6.441 -20.586 2.901 1.00 62.57 O ATOM 479 OE2 GLU A 92 8.360 -21.210 1.998 1.00 61.46 O ATOM 0 H GLU A 92 6.145 -20.505 7.514 1.00 56.93 H new ATOM 0 HA GLU A 92 8.343 -21.728 7.054 1.00 57.52 H new ATOM 0 HB2 GLU A 92 6.880 -21.688 5.331 1.00 58.13 H new ATOM 0 HB3 GLU A 92 6.700 -20.141 5.412 1.00 58.13 H new ATOM 0 HG2 GLU A 92 8.751 -19.801 4.382 1.00 59.71 H new ATOM 0 HG3 GLU A 92 9.057 -21.330 4.413 1.00 59.71 H new ATOM 480 N VAL A 93 10.337 -20.336 7.004 1.00 56.88 N ATOM 481 CA VAL A 93 11.499 -19.468 7.066 1.00 56.65 C ATOM 482 C VAL A 93 11.848 -18.892 5.686 1.00 58.27 C ATOM 483 O VAL A 93 12.289 -19.623 4.793 1.00 59.14 O ATOM 484 CB VAL A 93 12.698 -20.249 7.599 1.00 55.65 C ATOM 485 CG1 VAL A 93 13.910 -19.337 7.708 1.00 54.21 C ATOM 486 CG2 VAL A 93 12.333 -20.880 8.936 1.00 54.04 C ATOM 0 H VAL A 93 10.516 -21.177 7.031 1.00 56.88 H new ATOM 0 HA VAL A 93 11.286 -18.731 7.660 1.00 56.65 H new ATOM 0 HB VAL A 93 12.931 -20.962 6.984 1.00 55.65 H new ATOM 0 HG11 VAL A 93 14.666 -19.842 8.047 1.00 54.21 H new ATOM 0 HG12 VAL A 93 14.127 -18.980 6.832 1.00 54.21 H new ATOM 0 HG13 VAL A 93 13.712 -18.606 8.314 1.00 54.21 H new ATOM 0 HG21 VAL A 93 13.093 -21.377 9.278 1.00 54.04 H new ATOM 0 HG22 VAL A 93 12.092 -20.184 9.567 1.00 54.04 H new ATOM 0 HG23 VAL A 93 11.581 -21.481 8.816 1.00 54.04 H new ATOM 487 N LEU A 94 11.655 -17.587 5.503 1.00 58.68 N ATOM 488 CA LEU A 94 11.962 -16.972 4.216 1.00 58.63 C ATOM 489 C LEU A 94 13.435 -16.631 4.049 1.00 58.62 C ATOM 490 O LEU A 94 14.077 -17.122 3.128 1.00 59.84 O ATOM 491 CB LEU A 94 11.114 -15.721 3.989 1.00 59.77 C ATOM 492 CG LEU A 94 9.620 -15.919 3.714 1.00 60.87 C ATOM 493 CD1 LEU A 94 9.430 -17.094 2.765 1.00 60.62 C ATOM 494 CD2 LEU A 94 8.880 -16.170 5.005 1.00 61.13 C ATOM 0 H LEU A 94 11.352 -17.049 6.101 1.00 58.68 H new ATOM 0 HA LEU A 94 11.744 -17.639 3.546 1.00 58.63 H new ATOM 0 HB2 LEU A 94 11.202 -15.154 4.771 1.00 59.77 H new ATOM 0 HB3 LEU A 94 11.494 -15.234 3.241 1.00 59.77 H new ATOM 0 HG LEU A 94 9.262 -15.115 3.305 1.00 60.87 H new ATOM 0 HD11 LEU A 94 8.484 -17.220 2.591 1.00 60.62 H new ATOM 0 HD12 LEU A 94 9.891 -16.914 1.931 1.00 60.62 H new ATOM 0 HD13 LEU A 94 9.794 -17.898 3.168 1.00 60.62 H new ATOM 0 HD21 LEU A 94 7.936 -16.294 4.818 1.00 61.13 H new ATOM 0 HD22 LEU A 94 9.232 -16.967 5.430 1.00 61.13 H new ATOM 0 HD23 LEU A 94 8.995 -15.410 5.597 1.00 61.13 H new ATOM 495 N PHE A 95 13.978 -15.782 4.912 1.00 57.62 N ATOM 496 CA PHE A 95 15.391 -15.443 4.802 1.00 57.69 C ATOM 497 C PHE A 95 16.038 -15.556 6.165 1.00 59.82 C ATOM 498 O PHE A 95 15.422 -15.242 7.180 1.00 60.19 O ATOM 499 CB PHE A 95 15.571 -14.042 4.229 1.00 54.35 C ATOM 500 CG PHE A 95 14.861 -12.985 4.996 1.00 52.06 C ATOM 501 CD1 PHE A 95 15.363 -12.526 6.200 1.00 51.78 C ATOM 502 CD2 PHE A 95 13.679 -12.451 4.519 1.00 52.05 C ATOM 503 CE1 PHE A 95 14.693 -11.556 6.926 1.00 50.53 C ATOM 504 CE2 PHE A 95 12.999 -11.480 5.237 1.00 51.87 C ATOM 505 CZ PHE A 95 13.513 -11.031 6.442 1.00 51.15 C ATOM 0 H PHE A 95 13.557 -15.398 5.556 1.00 57.62 H new ATOM 0 HA PHE A 95 15.821 -16.064 4.193 1.00 57.69 H new ATOM 0 HB2 PHE A 95 16.517 -13.831 4.204 1.00 54.35 H new ATOM 0 HB3 PHE A 95 15.254 -14.033 3.312 1.00 54.35 H new ATOM 0 HD1 PHE A 95 16.161 -12.874 6.526 1.00 51.78 H new ATOM 0 HD2 PHE A 95 13.336 -12.747 3.707 1.00 52.05 H new ATOM 0 HE1 PHE A 95 15.037 -11.259 7.737 1.00 50.53 H new ATOM 0 HE2 PHE A 95 12.201 -11.131 4.911 1.00 51.87 H new ATOM 0 HZ PHE A 95 13.063 -10.376 6.925 1.00 51.15 H new ATOM 506 N GLU A 96 17.282 -16.018 6.179 1.00 62.03 N ATOM 507 CA GLU A 96 18.020 -16.219 7.415 1.00 63.18 C ATOM 508 C GLU A 96 19.376 -15.571 7.302 1.00 63.73 C ATOM 509 O GLU A 96 20.007 -15.652 6.255 1.00 64.24 O ATOM 510 CB GLU A 96 18.207 -17.709 7.659 1.00 64.28 C ATOM 511 CG GLU A 96 17.704 -18.181 8.996 1.00 67.24 C ATOM 512 CD GLU A 96 17.540 -19.683 9.040 1.00 68.52 C ATOM 513 OE1 GLU A 96 17.140 -20.205 10.104 1.00 70.31 O ATOM 514 OE2 GLU A 96 17.808 -20.338 8.008 1.00 68.00 O ATOM 0 H GLU A 96 17.722 -16.224 5.469 1.00 62.03 H new ATOM 0 HA GLU A 96 17.525 -15.824 8.150 1.00 63.18 H new ATOM 0 HB2 GLU A 96 17.749 -18.201 6.960 1.00 64.28 H new ATOM 0 HB3 GLU A 96 19.150 -17.923 7.585 1.00 64.28 H new ATOM 0 HG2 GLU A 96 18.322 -17.903 9.690 1.00 67.24 H new ATOM 0 HG3 GLU A 96 16.853 -17.758 9.189 1.00 67.24 H new ATOM 515 N ARG A 97 19.829 -14.935 8.376 1.00 64.70 N ATOM 516 CA ARG A 97 21.130 -14.283 8.361 1.00 66.33 C ATOM 517 C ARG A 97 22.216 -15.177 8.944 1.00 67.34 C ATOM 518 O ARG A 97 22.025 -15.847 9.960 1.00 67.40 O ATOM 519 CB ARG A 97 21.088 -12.964 9.134 1.00 66.87 C ATOM 520 CG ARG A 97 22.450 -12.316 9.324 1.00 67.41 C ATOM 521 CD ARG A 97 23.110 -11.958 8.002 1.00 68.54 C ATOM 522 NE ARG A 97 24.492 -12.427 7.948 1.00 70.86 N ATOM 523 CZ ARG A 97 25.370 -12.088 7.007 1.00 71.67 C ATOM 524 NH1 ARG A 97 25.023 -11.262 6.023 1.00 70.34 N ATOM 525 NH2 ARG A 97 26.600 -12.588 7.044 1.00 71.69 N ATOM 0 H ARG A 97 19.401 -14.870 9.119 1.00 64.70 H new ATOM 0 HA ARG A 97 21.345 -14.104 7.432 1.00 66.33 H new ATOM 0 HB2 ARG A 97 20.507 -12.344 8.666 1.00 66.87 H new ATOM 0 HB3 ARG A 97 20.691 -13.122 10.005 1.00 66.87 H new ATOM 0 HG2 ARG A 97 22.352 -11.514 9.861 1.00 67.41 H new ATOM 0 HG3 ARG A 97 23.027 -12.920 9.818 1.00 67.41 H new ATOM 0 HD2 ARG A 97 22.606 -12.349 7.271 1.00 68.54 H new ATOM 0 HD3 ARG A 97 23.089 -10.996 7.879 1.00 68.54 H new ATOM 0 HE ARG A 97 24.757 -12.960 8.568 1.00 70.86 H new ATOM 0 HH11 ARG A 97 24.225 -10.942 5.991 1.00 70.34 H new ATOM 0 HH12 ARG A 97 25.596 -11.048 5.419 1.00 70.34 H new ATOM 0 HH21 ARG A 97 26.826 -13.128 7.674 1.00 71.69 H new ATOM 0 HH22 ARG A 97 27.171 -12.372 6.438 1.00 71.69 H new ATOM 526 N GLU A 98 23.361 -15.186 8.283 1.00 67.97 N ATOM 527 CA GLU A 98 24.483 -15.982 8.735 1.00 68.50 C ATOM 528 C GLU A 98 25.013 -15.311 10.012 1.00 66.99 C ATOM 529 O GLU A 98 25.442 -14.154 9.972 1.00 66.92 O ATOM 530 CB GLU A 98 25.554 -15.980 7.649 1.00 70.70 C ATOM 531 CG GLU A 98 26.454 -17.187 7.643 1.00 72.33 C ATOM 532 CD GLU A 98 27.820 -16.842 7.111 1.00 73.25 C ATOM 533 OE1 GLU A 98 28.622 -16.264 7.877 1.00 73.74 O ATOM 534 OE2 GLU A 98 28.085 -17.127 5.925 1.00 74.36 O ATOM 0 H GLU A 98 23.508 -14.735 7.566 1.00 67.97 H new ATOM 0 HA GLU A 98 24.230 -16.901 8.915 1.00 68.50 H new ATOM 0 HB2 GLU A 98 25.119 -15.913 6.785 1.00 70.70 H new ATOM 0 HB3 GLU A 98 26.101 -15.186 7.754 1.00 70.70 H new ATOM 0 HG2 GLU A 98 26.534 -17.539 8.543 1.00 72.33 H new ATOM 0 HG3 GLU A 98 26.059 -17.886 7.099 1.00 72.33 H new ATOM 535 N PRO A 99 24.983 -16.028 11.157 1.00 65.34 N ATOM 536 CA PRO A 99 25.444 -15.547 12.466 1.00 63.31 C ATOM 537 C PRO A 99 26.628 -14.598 12.430 1.00 62.13 C ATOM 538 O PRO A 99 27.738 -14.973 12.073 1.00 63.04 O ATOM 539 CB PRO A 99 25.757 -16.835 13.204 1.00 63.09 C ATOM 540 CG PRO A 99 24.637 -17.701 12.771 1.00 64.41 C ATOM 541 CD PRO A 99 24.547 -17.433 11.263 1.00 65.60 C ATOM 0 HA PRO A 99 24.771 -14.995 12.895 1.00 63.31 H new ATOM 0 HB2 PRO A 99 26.620 -17.200 12.952 1.00 63.09 H new ATOM 0 HB3 PRO A 99 25.772 -16.711 14.166 1.00 63.09 H new ATOM 0 HG2 PRO A 99 24.814 -18.636 12.959 1.00 64.41 H new ATOM 0 HG3 PRO A 99 23.811 -17.472 13.225 1.00 64.41 H new ATOM 0 HD2 PRO A 99 25.122 -18.028 10.756 1.00 65.60 H new ATOM 0 HD3 PRO A 99 23.645 -17.557 10.928 1.00 65.60 H new ATOM 542 N ILE A 100 26.371 -13.359 12.814 1.00 60.32 N ATOM 543 CA ILE A 100 27.384 -12.325 12.831 1.00 59.32 C ATOM 544 C ILE A 100 28.190 -12.401 14.123 1.00 59.91 C ATOM 545 O ILE A 100 27.638 -12.649 15.196 1.00 60.94 O ATOM 546 CB ILE A 100 26.718 -10.972 12.736 1.00 58.85 C ATOM 547 CG1 ILE A 100 25.831 -10.942 11.497 1.00 57.95 C ATOM 548 CG2 ILE A 100 27.755 -9.875 12.728 1.00 58.20 C ATOM 549 CD1 ILE A 100 25.068 -9.661 11.342 1.00 59.08 C ATOM 0 H ILE A 100 25.596 -13.094 13.074 1.00 60.32 H new ATOM 0 HA ILE A 100 27.981 -12.453 12.077 1.00 59.32 H new ATOM 0 HB ILE A 100 26.157 -10.819 13.512 1.00 58.85 H new ATOM 0 HG12 ILE A 100 26.381 -11.080 10.710 1.00 57.95 H new ATOM 0 HG13 ILE A 100 25.204 -11.681 11.538 1.00 57.95 H new ATOM 0 HG21 ILE A 100 27.314 -9.013 12.667 1.00 58.20 H new ATOM 0 HG22 ILE A 100 28.275 -9.915 13.546 1.00 58.20 H new ATOM 0 HG23 ILE A 100 28.344 -9.991 11.966 1.00 58.20 H new ATOM 0 HD11 ILE A 100 24.525 -9.703 10.539 1.00 59.08 H new ATOM 0 HD12 ILE A 100 24.495 -9.530 12.114 1.00 59.08 H new ATOM 0 HD13 ILE A 100 25.690 -8.920 11.273 1.00 59.08 H new ATOM 550 N PRO A 101 29.512 -12.166 14.044 1.00 59.19 N ATOM 551 CA PRO A 101 30.364 -12.226 15.239 1.00 56.74 C ATOM 552 C PRO A 101 29.872 -11.391 16.414 1.00 53.79 C ATOM 553 O PRO A 101 29.431 -11.925 17.429 1.00 52.51 O ATOM 554 CB PRO A 101 31.717 -11.743 14.723 1.00 57.85 C ATOM 555 CG PRO A 101 31.716 -12.213 13.305 1.00 58.65 C ATOM 556 CD PRO A 101 30.317 -11.868 12.844 1.00 58.51 C ATOM 0 HA PRO A 101 30.381 -13.120 15.614 1.00 56.74 H new ATOM 0 HB2 PRO A 101 31.802 -10.779 14.783 1.00 57.85 H new ATOM 0 HB3 PRO A 101 32.452 -12.124 15.228 1.00 57.85 H new ATOM 0 HG2 PRO A 101 32.392 -11.762 12.775 1.00 58.65 H new ATOM 0 HG3 PRO A 101 31.893 -13.165 13.240 1.00 58.65 H new ATOM 0 HD2 PRO A 101 30.242 -10.938 12.579 1.00 58.51 H new ATOM 0 HD3 PRO A 101 30.044 -12.403 12.082 1.00 58.51 H new ATOM 557 N ILE A 102 29.962 -10.076 16.262 1.00 52.31 N ATOM 558 CA ILE A 102 29.565 -9.141 17.304 1.00 51.26 C ATOM 559 C ILE A 102 28.684 -7.999 16.778 1.00 49.92 C ATOM 560 O ILE A 102 28.939 -7.436 15.710 1.00 49.54 O ATOM 561 CB ILE A 102 30.824 -8.551 17.979 1.00 51.37 C ATOM 562 CG1 ILE A 102 31.422 -9.584 18.933 1.00 51.89 C ATOM 563 CG2 ILE A 102 30.495 -7.252 18.683 1.00 52.22 C ATOM 564 CD1 ILE A 102 32.129 -10.748 18.250 1.00 52.49 C ATOM 0 H ILE A 102 30.257 -9.699 15.547 1.00 52.31 H new ATOM 0 HA ILE A 102 29.035 -9.639 17.946 1.00 51.26 H new ATOM 0 HB ILE A 102 31.488 -8.344 17.303 1.00 51.37 H new ATOM 0 HG12 ILE A 102 32.053 -9.138 19.519 1.00 51.89 H new ATOM 0 HG13 ILE A 102 30.713 -9.936 19.494 1.00 51.89 H new ATOM 0 HG21 ILE A 102 31.296 -6.898 19.100 1.00 52.22 H new ATOM 0 HG22 ILE A 102 30.156 -6.611 18.038 1.00 52.22 H new ATOM 0 HG23 ILE A 102 29.822 -7.413 19.363 1.00 52.22 H new ATOM 0 HD11 ILE A 102 32.478 -11.354 18.922 1.00 52.49 H new ATOM 0 HD12 ILE A 102 31.500 -11.221 17.683 1.00 52.49 H new ATOM 0 HD13 ILE A 102 32.860 -10.410 17.709 1.00 52.49 H new ATOM 565 N GLY A 103 27.646 -7.670 17.544 1.00 48.02 N ATOM 566 CA GLY A 103 26.732 -6.600 17.175 1.00 44.79 C ATOM 567 C GLY A 103 25.636 -6.497 18.218 1.00 42.62 C ATOM 568 O GLY A 103 25.317 -7.485 18.865 1.00 42.45 O ATOM 0 H GLY A 103 27.455 -8.060 18.287 1.00 48.02 H new ATOM 0 HA2 GLY A 103 27.211 -5.759 17.110 1.00 44.79 H new ATOM 0 HA3 GLY A 103 26.347 -6.776 16.302 1.00 44.79 H new ATOM 569 N THR A 104 25.057 -5.317 18.401 1.00 40.62 N ATOM 570 CA THR A 104 23.995 -5.181 19.397 1.00 39.32 C ATOM 571 C THR A 104 22.704 -5.850 18.950 1.00 37.57 C ATOM 572 O THR A 104 22.569 -6.305 17.814 1.00 35.70 O ATOM 573 CB THR A 104 23.641 -3.732 19.675 1.00 39.00 C ATOM 574 OG1 THR A 104 22.992 -3.193 18.522 1.00 40.28 O ATOM 575 CG2 THR A 104 24.879 -2.931 19.971 1.00 37.93 C ATOM 0 H THR A 104 25.255 -4.598 17.973 1.00 40.62 H new ATOM 0 HA THR A 104 24.352 -5.605 20.193 1.00 39.32 H new ATOM 0 HB THR A 104 23.055 -3.688 20.447 1.00 39.00 H new ATOM 0 HG1 THR A 104 22.611 -2.473 18.726 1.00 40.28 H new ATOM 0 HG21 THR A 104 24.634 -2.009 20.146 1.00 37.93 H new ATOM 0 HG22 THR A 104 25.325 -3.300 20.749 1.00 37.93 H new ATOM 0 HG23 THR A 104 25.478 -2.967 19.209 1.00 37.93 H new ATOM 576 N ASN A 105 21.746 -5.892 19.863 1.00 35.92 N ATOM 577 CA ASN A 105 20.448 -6.483 19.579 1.00 34.18 C ATOM 578 C ASN A 105 19.698 -5.559 18.639 1.00 32.86 C ATOM 579 O ASN A 105 19.223 -5.990 17.596 1.00 31.76 O ATOM 580 CB ASN A 105 19.661 -6.651 20.885 1.00 33.36 C ATOM 581 CG ASN A 105 19.518 -5.345 21.647 1.00 32.61 C ATOM 582 OD1 ASN A 105 20.344 -4.440 21.508 1.00 32.35 O ATOM 583 ND2 ASN A 105 18.484 -5.248 22.472 1.00 31.95 N ATOM 0 H ASN A 105 21.828 -5.581 20.660 1.00 35.92 H new ATOM 0 HA ASN A 105 20.559 -7.355 19.168 1.00 34.18 H new ATOM 0 HB2 ASN A 105 18.780 -7.004 20.686 1.00 33.36 H new ATOM 0 HB3 ASN A 105 20.108 -7.303 21.447 1.00 33.36 H new ATOM 0 HD21 ASN A 105 18.370 -4.533 22.936 1.00 31.95 H new ATOM 0 HD22 ASN A 105 17.928 -5.900 22.543 1.00 31.95 H new ATOM 584 N ASN A 106 19.622 -4.284 19.019 1.00 33.30 N ATOM 585 CA ASN A 106 18.922 -3.275 18.247 1.00 34.34 C ATOM 586 C ASN A 106 19.411 -3.180 16.811 1.00 36.54 C ATOM 587 O ASN A 106 18.631 -2.883 15.917 1.00 38.96 O ATOM 588 CB ASN A 106 19.018 -1.926 18.948 1.00 34.38 C ATOM 589 CG ASN A 106 18.535 -1.992 20.385 1.00 34.87 C ATOM 590 OD1 ASN A 106 19.210 -1.285 21.272 1.00 37.32 O flip ATOM 591 ND2 ASN A 106 17.554 -2.661 20.687 1.00 34.98 N flip ATOM 0 H ASN A 106 19.981 -3.983 19.740 1.00 33.30 H new ATOM 0 HA ASN A 106 17.992 -3.546 18.196 1.00 34.34 H new ATOM 0 HB2 ASN A 106 19.938 -1.619 18.931 1.00 34.38 H new ATOM 0 HB3 ASN A 106 18.492 -1.272 18.461 1.00 34.38 H new ATOM 0 HD21 ASN A 106 17.137 -3.110 20.083 1.00 34.98 H new ATOM 0 HD22 ASN A 106 17.282 -2.682 21.503 1.00 34.98 H new ATOM 592 N MET A 107 20.692 -3.427 16.571 1.00 38.24 N ATOM 593 CA MET A 107 21.186 -3.400 15.197 1.00 39.40 C ATOM 594 C MET A 107 20.687 -4.685 14.522 1.00 38.88 C ATOM 595 O MET A 107 20.405 -4.723 13.327 1.00 40.12 O ATOM 596 CB MET A 107 22.719 -3.384 15.154 1.00 40.78 C ATOM 597 CG MET A 107 23.393 -2.234 15.871 1.00 42.31 C ATOM 598 SD MET A 107 25.179 -2.519 15.894 1.00 46.27 S ATOM 599 CE MET A 107 25.832 -1.143 14.939 1.00 44.39 C ATOM 0 H MET A 107 21.281 -3.608 17.171 1.00 38.24 H new ATOM 0 HA MET A 107 20.868 -2.600 14.749 1.00 39.40 H new ATOM 0 HB2 MET A 107 23.044 -4.214 15.536 1.00 40.78 H new ATOM 0 HB3 MET A 107 22.998 -3.371 14.225 1.00 40.78 H new ATOM 0 HG2 MET A 107 23.193 -1.397 15.423 1.00 42.31 H new ATOM 0 HG3 MET A 107 23.054 -2.159 16.777 1.00 42.31 H new ATOM 0 HE1 MET A 107 26.658 -1.411 14.508 1.00 44.39 H new ATOM 0 HE2 MET A 107 25.186 -0.882 14.264 1.00 44.39 H new ATOM 0 HE3 MET A 107 26.004 -0.392 15.529 1.00 44.39 H new ATOM 600 N GLY A 108 20.605 -5.752 15.300 1.00 37.38 N ATOM 601 CA GLY A 108 20.136 -6.999 14.750 1.00 36.82 C ATOM 602 C GLY A 108 18.743 -6.771 14.227 1.00 37.24 C ATOM 603 O GLY A 108 18.447 -7.064 13.069 1.00 37.51 O ATOM 0 H GLY A 108 20.813 -5.772 16.134 1.00 37.38 H new ATOM 0 HA2 GLY A 108 20.722 -7.299 14.038 1.00 36.82 H new ATOM 0 HA3 GLY A 108 20.136 -7.692 15.429 1.00 36.82 H new ATOM 604 N GLU A 109 17.894 -6.222 15.090 1.00 35.61 N ATOM 605 CA GLU A 109 16.512 -5.952 14.735 1.00 35.86 C ATOM 606 C GLU A 109 16.453 -5.075 13.494 1.00 34.79 C ATOM 607 O GLU A 109 15.763 -5.399 12.536 1.00 34.28 O ATOM 608 CB GLU A 109 15.787 -5.253 15.889 1.00 37.40 C ATOM 609 CG GLU A 109 15.843 -6.005 17.204 1.00 41.13 C ATOM 610 CD GLU A 109 14.934 -7.211 17.234 1.00 44.06 C ATOM 611 OE1 GLU A 109 14.523 -7.684 16.149 1.00 44.65 O ATOM 612 OE2 GLU A 109 14.642 -7.695 18.351 1.00 45.24 O ATOM 0 H GLU A 109 18.104 -5.998 15.893 1.00 35.61 H new ATOM 0 HA GLU A 109 16.073 -6.798 14.553 1.00 35.86 H new ATOM 0 HB2 GLU A 109 16.174 -4.372 16.015 1.00 37.40 H new ATOM 0 HB3 GLU A 109 14.858 -5.122 15.642 1.00 37.40 H new ATOM 0 HG2 GLU A 109 16.755 -6.290 17.369 1.00 41.13 H new ATOM 0 HG3 GLU A 109 15.598 -5.404 17.925 1.00 41.13 H new ATOM 613 N PHE A 110 17.179 -3.964 13.522 1.00 33.92 N ATOM 614 CA PHE A 110 17.216 -3.035 12.398 1.00 34.16 C ATOM 615 C PHE A 110 17.396 -3.777 11.089 1.00 34.11 C ATOM 616 O PHE A 110 16.537 -3.738 10.219 1.00 35.42 O ATOM 617 CB PHE A 110 18.379 -2.057 12.557 1.00 34.66 C ATOM 618 CG PHE A 110 18.423 -0.986 11.506 1.00 34.51 C ATOM 619 CD1 PHE A 110 17.591 0.124 11.592 1.00 34.54 C ATOM 620 CD2 PHE A 110 19.315 -1.073 10.446 1.00 34.45 C ATOM 621 CE1 PHE A 110 17.651 1.134 10.641 1.00 34.46 C ATOM 622 CE2 PHE A 110 19.383 -0.063 9.485 1.00 34.07 C ATOM 623 CZ PHE A 110 18.550 1.041 9.584 1.00 34.43 C ATOM 0 H PHE A 110 17.664 -3.727 14.192 1.00 33.92 H new ATOM 0 HA PHE A 110 16.373 -2.555 12.387 1.00 34.16 H new ATOM 0 HB2 PHE A 110 18.321 -1.638 13.430 1.00 34.66 H new ATOM 0 HB3 PHE A 110 19.212 -2.553 12.535 1.00 34.66 H new ATOM 0 HD1 PHE A 110 16.986 0.191 12.295 1.00 34.54 H new ATOM 0 HD2 PHE A 110 19.874 -1.813 10.375 1.00 34.45 H new ATOM 0 HE1 PHE A 110 17.090 1.873 10.711 1.00 34.46 H new ATOM 0 HE2 PHE A 110 19.986 -0.130 8.780 1.00 34.07 H new ATOM 0 HZ PHE A 110 18.592 1.717 8.946 1.00 34.43 H new ATOM 624 N LEU A 111 18.530 -4.449 10.956 1.00 34.29 N ATOM 625 CA LEU A 111 18.837 -5.196 9.756 1.00 33.85 C ATOM 626 C LEU A 111 17.742 -6.172 9.410 1.00 33.03 C ATOM 627 O LEU A 111 17.356 -6.280 8.252 1.00 33.85 O ATOM 628 CB LEU A 111 20.142 -5.962 9.934 1.00 35.57 C ATOM 629 CG LEU A 111 21.354 -5.099 10.279 1.00 37.58 C ATOM 630 CD1 LEU A 111 22.607 -5.984 10.193 1.00 38.92 C ATOM 631 CD2 LEU A 111 21.438 -3.889 9.321 1.00 33.62 C ATOM 0 H LEU A 111 19.141 -4.483 11.560 1.00 34.29 H new ATOM 0 HA LEU A 111 18.920 -4.556 9.032 1.00 33.85 H new ATOM 0 HB2 LEU A 111 20.021 -6.622 10.635 1.00 35.57 H new ATOM 0 HB3 LEU A 111 20.330 -6.448 9.116 1.00 35.57 H new ATOM 0 HG LEU A 111 21.278 -4.742 11.178 1.00 37.58 H new ATOM 0 HD11 LEU A 111 23.392 -5.456 10.409 1.00 38.92 H new ATOM 0 HD12 LEU A 111 22.529 -6.718 10.822 1.00 38.92 H new ATOM 0 HD13 LEU A 111 22.693 -6.337 9.294 1.00 38.92 H new ATOM 0 HD21 LEU A 111 22.210 -3.348 9.549 1.00 33.62 H new ATOM 0 HD22 LEU A 111 21.523 -4.204 8.408 1.00 33.62 H new ATOM 0 HD23 LEU A 111 20.633 -3.354 9.404 1.00 33.62 H new ATOM 632 N ALA A 112 17.262 -6.894 10.421 1.00 32.44 N ATOM 633 CA ALA A 112 16.207 -7.885 10.246 1.00 29.15 C ATOM 634 C ALA A 112 15.048 -7.271 9.481 1.00 29.30 C ATOM 635 O ALA A 112 14.503 -7.892 8.571 1.00 28.92 O ATOM 636 CB ALA A 112 15.736 -8.387 11.598 1.00 27.77 C ATOM 0 H ALA A 112 17.542 -6.821 11.231 1.00 32.44 H new ATOM 0 HA ALA A 112 16.556 -8.636 9.740 1.00 29.15 H new ATOM 0 HB1 ALA A 112 15.035 -9.045 11.473 1.00 27.77 H new ATOM 0 HB2 ALA A 112 16.480 -8.793 12.070 1.00 27.77 H new ATOM 0 HB3 ALA A 112 15.392 -7.644 12.117 1.00 27.77 H new ATOM 637 N ILE A 113 14.680 -6.048 9.856 1.00 28.72 N ATOM 638 CA ILE A 113 13.595 -5.337 9.199 1.00 29.73 C ATOM 639 C ILE A 113 13.982 -4.914 7.787 1.00 32.34 C ATOM 640 O ILE A 113 13.368 -5.356 6.815 1.00 34.61 O ATOM 641 CB ILE A 113 13.192 -4.087 9.974 1.00 28.14 C ATOM 642 CG1 ILE A 113 12.630 -4.486 11.336 1.00 24.88 C ATOM 643 CG2 ILE A 113 12.172 -3.281 9.157 1.00 28.33 C ATOM 644 CD1 ILE A 113 12.444 -3.318 12.243 1.00 22.83 C ATOM 0 H ILE A 113 15.053 -5.611 10.496 1.00 28.72 H new ATOM 0 HA ILE A 113 12.848 -5.955 9.165 1.00 29.73 H new ATOM 0 HB ILE A 113 13.968 -3.525 10.124 1.00 28.14 H new ATOM 0 HG12 ILE A 113 11.779 -4.934 11.212 1.00 24.88 H new ATOM 0 HG13 ILE A 113 13.228 -5.124 11.755 1.00 24.88 H new ATOM 0 HG21 ILE A 113 11.917 -2.486 9.651 1.00 28.33 H new ATOM 0 HG22 ILE A 113 12.568 -3.021 8.310 1.00 28.33 H new ATOM 0 HG23 ILE A 113 11.386 -3.825 8.993 1.00 28.33 H new ATOM 0 HD11 ILE A 113 12.086 -3.621 13.092 1.00 22.83 H new ATOM 0 HD12 ILE A 113 13.298 -2.882 12.389 1.00 22.83 H new ATOM 0 HD13 ILE A 113 11.826 -2.689 11.839 1.00 22.83 H new ATOM 645 N VAL A 114 14.994 -4.059 7.665 1.00 33.54 N ATOM 646 CA VAL A 114 15.431 -3.610 6.344 1.00 35.57 C ATOM 647 C VAL A 114 15.653 -4.763 5.351 1.00 37.88 C ATOM 648 O VAL A 114 15.400 -4.622 4.156 1.00 38.48 O ATOM 649 CB VAL A 114 16.711 -2.779 6.432 1.00 34.20 C ATOM 650 CG1 VAL A 114 17.324 -2.645 5.049 1.00 35.36 C ATOM 651 CG2 VAL A 114 16.394 -1.409 7.004 1.00 31.29 C ATOM 0 H VAL A 114 15.437 -3.730 8.325 1.00 33.54 H new ATOM 0 HA VAL A 114 14.704 -3.063 6.008 1.00 35.57 H new ATOM 0 HB VAL A 114 17.346 -3.221 7.017 1.00 34.20 H new ATOM 0 HG11 VAL A 114 18.136 -2.118 5.105 1.00 35.36 H new ATOM 0 HG12 VAL A 114 17.534 -3.526 4.701 1.00 35.36 H new ATOM 0 HG13 VAL A 114 16.694 -2.206 4.457 1.00 35.36 H new ATOM 0 HG21 VAL A 114 17.208 -0.885 7.058 1.00 31.29 H new ATOM 0 HG22 VAL A 114 15.757 -0.957 6.429 1.00 31.29 H new ATOM 0 HG23 VAL A 114 16.014 -1.508 7.891 1.00 31.29 H new ATOM 652 N HIS A 115 16.128 -5.903 5.837 1.00 39.84 N ATOM 653 CA HIS A 115 16.338 -7.045 4.957 1.00 40.98 C ATOM 654 C HIS A 115 14.963 -7.474 4.453 1.00 42.86 C ATOM 655 O HIS A 115 14.743 -7.576 3.243 1.00 45.48 O ATOM 656 CB HIS A 115 17.004 -8.194 5.718 1.00 39.87 C ATOM 657 CG HIS A 115 17.278 -9.402 4.881 1.00 40.19 C ATOM 658 ND1 HIS A 115 17.870 -10.544 5.389 1.00 41.27 N ATOM 659 CD2 HIS A 115 17.043 -9.663 3.573 1.00 41.26 C ATOM 660 CE1 HIS A 115 17.983 -11.446 4.437 1.00 40.92 C ATOM 661 NE2 HIS A 115 17.488 -10.937 3.321 1.00 41.47 N ATOM 0 H HIS A 115 16.333 -6.036 6.662 1.00 39.84 H new ATOM 0 HA HIS A 115 16.922 -6.808 4.219 1.00 40.98 H new ATOM 0 HB2 HIS A 115 17.840 -7.878 6.096 1.00 39.87 H new ATOM 0 HB3 HIS A 115 16.435 -8.449 6.461 1.00 39.87 H new ATOM 0 HD2 HIS A 115 16.652 -9.085 2.958 1.00 41.26 H new ATOM 0 HE1 HIS A 115 18.348 -12.296 4.533 1.00 40.92 H new ATOM 0 HE2 HIS A 115 17.451 -11.339 2.561 1.00 41.47 H new ATOM 662 N GLY A 116 14.038 -7.707 5.383 1.00 42.02 N ATOM 663 CA GLY A 116 12.697 -8.115 5.008 1.00 41.72 C ATOM 664 C GLY A 116 12.100 -7.131 4.024 1.00 43.32 C ATOM 665 O GLY A 116 11.362 -7.507 3.111 1.00 42.89 O ATOM 0 H GLY A 116 14.170 -7.634 6.230 1.00 42.02 H new ATOM 0 HA2 GLY A 116 12.721 -9.001 4.614 1.00 41.72 H new ATOM 0 HA3 GLY A 116 12.137 -8.171 5.798 1.00 41.72 H new ATOM 666 N LEU A 117 12.427 -5.859 4.205 1.00 43.63 N ATOM 667 CA LEU A 117 11.927 -4.824 3.326 1.00 45.40 C ATOM 668 C LEU A 117 12.371 -5.117 1.893 1.00 47.51 C ATOM 669 O LEU A 117 11.581 -5.018 0.949 1.00 47.26 O ATOM 670 CB LEU A 117 12.466 -3.478 3.777 1.00 45.93 C ATOM 671 CG LEU A 117 11.410 -2.383 3.904 1.00 48.10 C ATOM 672 CD1 LEU A 117 10.298 -2.850 4.838 1.00 47.25 C ATOM 673 CD2 LEU A 117 12.069 -1.102 4.429 1.00 48.84 C ATOM 0 H LEU A 117 12.940 -5.577 4.835 1.00 43.63 H new ATOM 0 HA LEU A 117 10.958 -4.804 3.358 1.00 45.40 H new ATOM 0 HB2 LEU A 117 12.905 -3.589 4.635 1.00 45.93 H new ATOM 0 HB3 LEU A 117 13.144 -3.186 3.147 1.00 45.93 H new ATOM 0 HG LEU A 117 11.019 -2.196 3.036 1.00 48.10 H new ATOM 0 HD11 LEU A 117 9.628 -2.153 4.918 1.00 47.25 H new ATOM 0 HD12 LEU A 117 9.888 -3.652 4.478 1.00 47.25 H new ATOM 0 HD13 LEU A 117 10.670 -3.042 5.713 1.00 47.25 H new ATOM 0 HD21 LEU A 117 11.400 -0.404 4.511 1.00 48.84 H new ATOM 0 HD22 LEU A 117 12.464 -1.274 5.298 1.00 48.84 H new ATOM 0 HD23 LEU A 117 12.760 -0.816 3.811 1.00 48.84 H new ATOM 674 N ARG A 118 13.647 -5.478 1.748 1.00 48.75 N ATOM 675 CA ARG A 118 14.249 -5.808 0.454 1.00 48.72 C ATOM 676 C ARG A 118 13.534 -7.025 -0.121 1.00 47.66 C ATOM 677 O ARG A 118 13.020 -7.004 -1.239 1.00 48.02 O ATOM 678 CB ARG A 118 15.719 -6.186 0.641 1.00 51.29 C ATOM 679 CG ARG A 118 16.737 -5.447 -0.219 1.00 56.64 C ATOM 680 CD ARG A 118 17.270 -4.224 0.524 1.00 60.99 C ATOM 681 NE ARG A 118 18.680 -3.924 0.263 1.00 64.35 N ATOM 682 CZ ARG A 118 19.713 -4.561 0.816 1.00 66.89 C ATOM 683 NH1 ARG A 118 19.512 -5.557 1.674 1.00 67.26 N ATOM 684 NH2 ARG A 118 20.959 -4.189 0.523 1.00 67.18 N ATOM 0 H ARG A 118 14.195 -5.539 2.408 1.00 48.75 H new ATOM 0 HA ARG A 118 14.173 -5.040 -0.134 1.00 48.72 H new ATOM 0 HB2 ARG A 118 15.951 -6.044 1.572 1.00 51.29 H new ATOM 0 HB3 ARG A 118 15.811 -7.136 0.468 1.00 51.29 H new ATOM 0 HG2 ARG A 118 17.470 -6.041 -0.445 1.00 56.64 H new ATOM 0 HG3 ARG A 118 16.326 -5.172 -1.054 1.00 56.64 H new ATOM 0 HD2 ARG A 118 16.736 -3.452 0.279 1.00 60.99 H new ATOM 0 HD3 ARG A 118 17.151 -4.361 1.477 1.00 60.99 H new ATOM 0 HE ARG A 118 18.855 -3.288 -0.289 1.00 64.35 H new ATOM 0 HH11 ARG A 118 18.711 -5.795 1.876 1.00 67.26 H new ATOM 0 HH12 ARG A 118 20.183 -5.963 2.026 1.00 67.26 H new ATOM 0 HH21 ARG A 118 21.097 -3.538 -0.022 1.00 67.18 H new ATOM 0 HH22 ARG A 118 21.625 -4.600 0.879 1.00 67.18 H new ATOM 685 N TYR A 119 13.534 -8.094 0.664 1.00 44.94 N ATOM 686 CA TYR A 119 12.926 -9.350 0.278 1.00 42.99 C ATOM 687 C TYR A 119 11.581 -9.165 -0.427 1.00 43.59 C ATOM 688 O TYR A 119 11.334 -9.746 -1.484 1.00 43.64 O ATOM 689 CB TYR A 119 12.763 -10.221 1.523 1.00 38.58 C ATOM 690 CG TYR A 119 12.067 -11.523 1.263 1.00 35.46 C ATOM 691 CD1 TYR A 119 12.781 -12.681 0.957 1.00 33.48 C ATOM 692 CD2 TYR A 119 10.677 -11.592 1.298 1.00 36.42 C ATOM 693 CE1 TYR A 119 12.114 -13.880 0.695 1.00 34.57 C ATOM 694 CE2 TYR A 119 10.003 -12.771 1.035 1.00 34.80 C ATOM 695 CZ TYR A 119 10.717 -13.907 0.737 1.00 35.64 C ATOM 696 OH TYR A 119 10.008 -15.056 0.482 1.00 36.79 O ATOM 0 H TYR A 119 13.893 -8.107 1.445 1.00 44.94 H new ATOM 0 HA TYR A 119 13.511 -9.783 -0.363 1.00 42.99 H new ATOM 0 HB2 TYR A 119 13.639 -10.401 1.898 1.00 38.58 H new ATOM 0 HB3 TYR A 119 12.265 -9.725 2.191 1.00 38.58 H new ATOM 0 HD1 TYR A 119 13.710 -12.655 0.927 1.00 33.48 H new ATOM 0 HD2 TYR A 119 10.190 -10.827 1.503 1.00 36.42 H new ATOM 0 HE1 TYR A 119 12.594 -14.651 0.495 1.00 34.57 H new ATOM 0 HE2 TYR A 119 9.074 -12.795 1.060 1.00 34.80 H new ATOM 0 HH TYR A 119 9.186 -14.899 0.550 1.00 36.79 H new ATOM 697 N LEU A 120 10.716 -8.350 0.165 1.00 45.48 N ATOM 698 CA LEU A 120 9.389 -8.095 -0.394 1.00 45.50 C ATOM 699 C LEU A 120 9.458 -7.325 -1.708 1.00 45.75 C ATOM 700 O LEU A 120 8.977 -7.789 -2.736 1.00 45.38 O ATOM 701 CB LEU A 120 8.535 -7.331 0.626 1.00 42.92 C ATOM 702 CG LEU A 120 8.315 -8.117 1.922 1.00 40.69 C ATOM 703 CD1 LEU A 120 7.544 -7.303 2.954 1.00 39.01 C ATOM 704 CD2 LEU A 120 7.570 -9.383 1.570 1.00 40.29 C ATOM 0 H LEU A 120 10.878 -7.930 0.898 1.00 45.48 H new ATOM 0 HA LEU A 120 8.979 -8.953 -0.586 1.00 45.50 H new ATOM 0 HB2 LEU A 120 8.965 -6.487 0.834 1.00 42.92 H new ATOM 0 HB3 LEU A 120 7.675 -7.122 0.229 1.00 42.92 H new ATOM 0 HG LEU A 120 9.172 -8.327 2.325 1.00 40.69 H new ATOM 0 HD11 LEU A 120 7.424 -7.831 3.759 1.00 39.01 H new ATOM 0 HD12 LEU A 120 8.040 -6.497 3.167 1.00 39.01 H new ATOM 0 HD13 LEU A 120 6.676 -7.062 2.594 1.00 39.01 H new ATOM 0 HD21 LEU A 120 7.416 -9.903 2.375 1.00 40.29 H new ATOM 0 HD22 LEU A 120 6.719 -9.156 1.165 1.00 40.29 H new ATOM 0 HD23 LEU A 120 8.096 -9.905 0.944 1.00 40.29 H new ATOM 705 N LYS A 121 10.074 -6.154 -1.682 1.00 47.88 N ATOM 706 CA LYS A 121 10.168 -5.352 -2.891 1.00 50.31 C ATOM 707 C LYS A 121 10.638 -6.120 -4.132 1.00 51.42 C ATOM 708 O LYS A 121 10.186 -5.828 -5.241 1.00 53.16 O ATOM 709 CB LYS A 121 11.075 -4.140 -2.664 1.00 50.07 C ATOM 710 CG LYS A 121 11.064 -3.164 -3.828 1.00 52.01 C ATOM 711 CD LYS A 121 11.624 -1.811 -3.447 1.00 52.58 C ATOM 712 CE LYS A 121 11.082 -0.736 -4.373 1.00 53.97 C ATOM 713 NZ LYS A 121 11.557 0.622 -3.995 1.00 55.16 N ATOM 0 H LYS A 121 10.440 -5.808 -0.985 1.00 47.88 H new ATOM 0 HA LYS A 121 9.259 -5.068 -3.077 1.00 50.31 H new ATOM 0 HB2 LYS A 121 10.794 -3.678 -1.859 1.00 50.07 H new ATOM 0 HB3 LYS A 121 11.983 -4.446 -2.513 1.00 50.07 H new ATOM 0 HG2 LYS A 121 11.582 -3.532 -4.561 1.00 52.01 H new ATOM 0 HG3 LYS A 121 10.155 -3.057 -4.149 1.00 52.01 H new ATOM 0 HD2 LYS A 121 11.390 -1.604 -2.529 1.00 52.58 H new ATOM 0 HD3 LYS A 121 12.593 -1.830 -3.495 1.00 52.58 H new ATOM 0 HE2 LYS A 121 11.353 -0.930 -5.284 1.00 53.97 H new ATOM 0 HE3 LYS A 121 10.112 -0.754 -4.355 1.00 53.97 H new ATOM 0 HZ1 LYS A 121 11.120 1.233 -4.473 1.00 55.16 H new ATOM 0 HZ2 LYS A 121 11.406 0.759 -3.129 1.00 55.16 H new ATOM 0 HZ3 LYS A 121 12.430 0.687 -4.157 1.00 55.16 H new ATOM 714 N GLU A 122 11.523 -7.100 -3.966 1.00 51.55 N ATOM 715 CA GLU A 122 12.010 -7.839 -5.130 1.00 51.74 C ATOM 716 C GLU A 122 11.126 -9.012 -5.484 1.00 51.01 C ATOM 717 O GLU A 122 11.468 -9.833 -6.342 1.00 50.76 O ATOM 718 CB GLU A 122 13.454 -8.303 -4.927 1.00 52.94 C ATOM 719 CG GLU A 122 13.661 -9.373 -3.884 1.00 55.95 C ATOM 720 CD GLU A 122 15.078 -9.345 -3.341 1.00 58.13 C ATOM 721 OE1 GLU A 122 16.020 -9.257 -4.160 1.00 60.58 O ATOM 722 OE2 GLU A 122 15.252 -9.408 -2.105 1.00 57.54 O ATOM 0 H GLU A 122 11.847 -7.349 -3.209 1.00 51.55 H new ATOM 0 HA GLU A 122 11.983 -7.221 -5.877 1.00 51.74 H new ATOM 0 HB2 GLU A 122 13.792 -8.632 -5.775 1.00 52.94 H new ATOM 0 HB3 GLU A 122 13.992 -7.533 -4.687 1.00 52.94 H new ATOM 0 HG2 GLU A 122 13.031 -9.246 -3.157 1.00 55.95 H new ATOM 0 HG3 GLU A 122 13.477 -10.244 -4.270 1.00 55.95 H new ATOM 723 N ARG A 123 9.982 -9.084 -4.814 1.00 50.34 N ATOM 724 CA ARG A 123 9.002 -10.131 -5.082 1.00 49.42 C ATOM 725 C ARG A 123 7.660 -9.461 -5.326 1.00 47.83 C ATOM 726 O ARG A 123 6.653 -10.128 -5.546 1.00 47.55 O ATOM 727 CB ARG A 123 8.910 -11.117 -3.913 1.00 48.92 C ATOM 728 CG ARG A 123 10.049 -12.112 -3.899 1.00 49.99 C ATOM 729 CD ARG A 123 9.945 -13.068 -2.740 1.00 51.85 C ATOM 730 NE ARG A 123 11.134 -13.904 -2.629 1.00 55.22 N ATOM 731 CZ ARG A 123 12.381 -13.433 -2.598 1.00 58.09 C ATOM 732 NH1 ARG A 123 12.594 -12.123 -2.677 1.00 57.38 N ATOM 733 NH2 ARG A 123 13.416 -14.267 -2.481 1.00 57.58 N ATOM 0 H ARG A 123 9.752 -8.532 -4.196 1.00 50.34 H new ATOM 0 HA ARG A 123 9.271 -10.642 -5.862 1.00 49.42 H new ATOM 0 HB2 ARG A 123 8.906 -10.624 -3.078 1.00 48.92 H new ATOM 0 HB3 ARG A 123 8.068 -11.596 -3.964 1.00 48.92 H new ATOM 0 HG2 ARG A 123 10.052 -12.611 -4.731 1.00 49.99 H new ATOM 0 HG3 ARG A 123 10.893 -11.636 -3.851 1.00 49.99 H new ATOM 0 HD2 ARG A 123 9.821 -12.569 -1.918 1.00 51.85 H new ATOM 0 HD3 ARG A 123 9.162 -13.630 -2.852 1.00 51.85 H new ATOM 0 HE ARG A 123 11.024 -14.756 -2.580 1.00 55.22 H new ATOM 0 HH11 ARG A 123 11.929 -11.583 -2.748 1.00 57.38 H new ATOM 0 HH12 ARG A 123 13.397 -11.816 -2.657 1.00 57.38 H new ATOM 0 HH21 ARG A 123 13.281 -15.115 -2.425 1.00 57.58 H new ATOM 0 HH22 ARG A 123 14.218 -13.957 -2.462 1.00 57.58 H new ATOM 734 N ASN A 124 7.674 -8.131 -5.307 1.00 46.42 N ATOM 735 CA ASN A 124 6.475 -7.339 -5.516 1.00 47.60 C ATOM 736 C ASN A 124 5.389 -7.743 -4.532 1.00 46.17 C ATOM 737 O ASN A 124 4.250 -8.052 -4.921 1.00 45.33 O ATOM 738 CB ASN A 124 5.942 -7.514 -6.942 1.00 52.39 C ATOM 739 CG ASN A 124 6.989 -7.222 -8.002 1.00 55.27 C ATOM 740 OD1 ASN A 124 7.434 -8.131 -8.719 1.00 56.29 O ATOM 741 ND2 ASN A 124 7.392 -5.954 -8.110 1.00 54.81 N ATOM 0 H ASN A 124 8.384 -7.664 -5.172 1.00 46.42 H new ATOM 0 HA ASN A 124 6.713 -6.409 -5.376 1.00 47.60 H new ATOM 0 HB2 ASN A 124 5.620 -8.422 -7.053 1.00 52.39 H new ATOM 0 HB3 ASN A 124 5.182 -6.926 -7.073 1.00 52.39 H new ATOM 0 HD21 ASN A 124 7.984 -5.739 -8.696 1.00 54.81 H new ATOM 0 HD22 ASN A 124 7.059 -5.352 -7.594 1.00 54.81 H new ATOM 742 N SER A 125 5.743 -7.753 -3.254 1.00 44.13 N ATOM 743 CA SER A 125 4.780 -8.104 -2.232 1.00 43.10 C ATOM 744 C SER A 125 4.432 -6.858 -1.442 1.00 41.89 C ATOM 745 O SER A 125 5.300 -6.035 -1.157 1.00 41.83 O ATOM 746 CB SER A 125 5.350 -9.169 -1.295 1.00 44.24 C ATOM 747 OG SER A 125 4.467 -9.399 -0.204 1.00 46.55 O ATOM 0 H SER A 125 6.529 -7.561 -2.963 1.00 44.13 H new ATOM 0 HA SER A 125 3.985 -8.466 -2.653 1.00 43.10 H new ATOM 0 HB2 SER A 125 5.491 -9.995 -1.784 1.00 44.24 H new ATOM 0 HB3 SER A 125 6.216 -8.885 -0.963 1.00 44.24 H new ATOM 0 HG SER A 125 4.792 -9.987 0.301 1.00 46.55 H new ATOM 748 N ARG A 126 3.158 -6.713 -1.098 1.00 40.57 N ATOM 749 CA ARG A 126 2.730 -5.563 -0.320 1.00 39.48 C ATOM 750 C ARG A 126 2.427 -5.969 1.117 1.00 39.66 C ATOM 751 O ARG A 126 1.817 -5.219 1.874 1.00 38.87 O ATOM 752 CB ARG A 126 1.530 -4.893 -0.987 1.00 38.31 C ATOM 753 CG ARG A 126 1.913 -4.175 -2.292 1.00 35.96 C ATOM 754 CD ARG A 126 0.695 -3.802 -3.118 1.00 32.93 C ATOM 755 NE ARG A 126 -0.202 -2.915 -2.380 1.00 29.78 N ATOM 756 CZ ARG A 126 0.030 -1.629 -2.164 1.00 27.98 C ATOM 757 NH1 ARG A 126 1.137 -1.072 -2.640 1.00 26.37 N ATOM 758 NH2 ARG A 126 -0.836 -0.918 -1.459 1.00 23.95 N ATOM 0 H ARG A 126 2.532 -7.265 -1.304 1.00 40.57 H new ATOM 0 HA ARG A 126 3.451 -4.915 -0.290 1.00 39.48 H new ATOM 0 HB2 ARG A 126 0.852 -5.561 -1.175 1.00 38.31 H new ATOM 0 HB3 ARG A 126 1.136 -4.254 -0.372 1.00 38.31 H new ATOM 0 HG2 ARG A 126 2.418 -3.374 -2.083 1.00 35.96 H new ATOM 0 HG3 ARG A 126 2.495 -4.748 -2.816 1.00 35.96 H new ATOM 0 HD2 ARG A 126 0.979 -3.368 -3.938 1.00 32.93 H new ATOM 0 HD3 ARG A 126 0.218 -4.607 -3.374 1.00 32.93 H new ATOM 0 HE ARG A 126 -0.929 -3.250 -2.065 1.00 29.78 H new ATOM 0 HH11 ARG A 126 1.699 -1.546 -3.086 1.00 26.37 H new ATOM 0 HH12 ARG A 126 1.292 -0.237 -2.502 1.00 26.37 H new ATOM 0 HH21 ARG A 126 -1.544 -1.292 -1.144 1.00 23.95 H new ATOM 0 HH22 ARG A 126 -0.691 -0.083 -1.316 1.00 23.95 H new ATOM 759 N LYS A 127 2.882 -7.167 1.481 1.00 38.96 N ATOM 760 CA LYS A 127 2.707 -7.678 2.831 1.00 38.18 C ATOM 761 C LYS A 127 3.439 -6.772 3.810 1.00 37.23 C ATOM 762 O LYS A 127 4.579 -6.373 3.573 1.00 37.49 O ATOM 763 CB LYS A 127 3.285 -9.093 2.952 1.00 38.35 C ATOM 764 CG LYS A 127 2.432 -10.186 2.361 1.00 40.02 C ATOM 765 CD LYS A 127 3.138 -11.533 2.465 1.00 40.86 C ATOM 766 CE LYS A 127 2.433 -12.598 1.641 1.00 39.27 C ATOM 767 NZ LYS A 127 3.186 -13.864 1.729 1.00 42.78 N ATOM 0 H LYS A 127 3.299 -7.702 0.952 1.00 38.96 H new ATOM 0 HA LYS A 127 1.758 -7.701 3.031 1.00 38.18 H new ATOM 0 HB2 LYS A 127 4.153 -9.110 2.520 1.00 38.35 H new ATOM 0 HB3 LYS A 127 3.431 -9.288 3.891 1.00 38.35 H new ATOM 0 HG2 LYS A 127 1.581 -10.225 2.824 1.00 40.02 H new ATOM 0 HG3 LYS A 127 2.240 -9.987 1.431 1.00 40.02 H new ATOM 0 HD2 LYS A 127 4.055 -11.443 2.162 1.00 40.86 H new ATOM 0 HD3 LYS A 127 3.172 -11.811 3.394 1.00 40.86 H new ATOM 0 HE2 LYS A 127 1.528 -12.725 1.965 1.00 39.27 H new ATOM 0 HE3 LYS A 127 2.366 -12.314 0.716 1.00 39.27 H new ATOM 0 HZ1 LYS A 127 2.774 -14.489 1.247 1.00 42.78 H new ATOM 0 HZ2 LYS A 127 4.010 -13.742 1.415 1.00 42.78 H new ATOM 0 HZ3 LYS A 127 3.229 -14.126 2.579 1.00 42.78 H new ATOM 768 N PRO A 128 2.794 -6.436 4.930 1.00 35.98 N ATOM 769 CA PRO A 128 3.432 -5.573 5.927 1.00 35.74 C ATOM 770 C PRO A 128 4.509 -6.376 6.684 1.00 35.92 C ATOM 771 O PRO A 128 4.687 -7.570 6.441 1.00 36.93 O ATOM 772 CB PRO A 128 2.263 -5.171 6.816 1.00 35.93 C ATOM 773 CG PRO A 128 1.417 -6.428 6.817 1.00 35.03 C ATOM 774 CD PRO A 128 1.451 -6.862 5.367 1.00 35.73 C ATOM 0 HA PRO A 128 3.894 -4.800 5.567 1.00 35.74 H new ATOM 0 HB2 PRO A 128 2.553 -4.929 7.709 1.00 35.93 H new ATOM 0 HB3 PRO A 128 1.780 -4.409 6.458 1.00 35.93 H new ATOM 0 HG2 PRO A 128 1.784 -7.107 7.404 1.00 35.03 H new ATOM 0 HG3 PRO A 128 0.512 -6.252 7.118 1.00 35.03 H new ATOM 0 HD2 PRO A 128 1.330 -7.820 5.275 1.00 35.73 H new ATOM 0 HD3 PRO A 128 0.751 -6.436 4.847 1.00 35.73 H new ATOM 775 N ILE A 129 5.233 -5.735 7.591 1.00 34.43 N ATOM 776 CA ILE A 129 6.259 -6.445 8.331 1.00 32.72 C ATOM 777 C ILE A 129 6.038 -6.346 9.818 1.00 32.35 C ATOM 778 O ILE A 129 5.656 -5.299 10.328 1.00 33.09 O ATOM 779 CB ILE A 129 7.666 -5.898 8.015 1.00 33.96 C ATOM 780 CG1 ILE A 129 8.063 -6.312 6.589 1.00 32.09 C ATOM 781 CG2 ILE A 129 8.676 -6.382 9.085 1.00 29.12 C ATOM 782 CD1 ILE A 129 9.486 -5.961 6.205 1.00 30.81 C ATOM 0 H ILE A 129 5.147 -4.903 7.790 1.00 34.43 H new ATOM 0 HA ILE A 129 6.200 -7.373 8.054 1.00 32.72 H new ATOM 0 HB ILE A 129 7.668 -4.929 8.048 1.00 33.96 H new ATOM 0 HG12 ILE A 129 7.942 -7.270 6.497 1.00 32.09 H new ATOM 0 HG13 ILE A 129 7.457 -5.889 5.961 1.00 32.09 H new ATOM 0 HG21 ILE A 129 9.558 -6.034 8.879 1.00 29.12 H new ATOM 0 HG22 ILE A 129 8.399 -6.064 9.959 1.00 29.12 H new ATOM 0 HG23 ILE A 129 8.704 -7.352 9.088 1.00 29.12 H new ATOM 0 HD11 ILE A 129 9.658 -6.253 5.296 1.00 30.81 H new ATOM 0 HD12 ILE A 129 9.610 -5.001 6.264 1.00 30.81 H new ATOM 0 HD13 ILE A 129 10.103 -6.404 6.809 1.00 30.81 H new ATOM 783 N TYR A 130 6.280 -7.449 10.511 1.00 32.73 N ATOM 784 CA TYR A 130 6.132 -7.494 11.959 1.00 31.20 C ATOM 785 C TYR A 130 7.485 -7.632 12.646 1.00 29.98 C ATOM 786 O TYR A 130 8.264 -8.557 12.377 1.00 26.72 O ATOM 787 CB TYR A 130 5.224 -8.663 12.374 1.00 33.79 C ATOM 788 CG TYR A 130 3.756 -8.308 12.469 1.00 35.61 C ATOM 789 CD1 TYR A 130 2.778 -9.108 11.873 1.00 36.51 C ATOM 790 CD2 TYR A 130 3.340 -7.175 13.169 1.00 38.00 C ATOM 791 CE1 TYR A 130 1.419 -8.782 11.972 1.00 35.84 C ATOM 792 CE2 TYR A 130 1.988 -6.839 13.279 1.00 36.94 C ATOM 793 CZ TYR A 130 1.040 -7.645 12.677 1.00 37.64 C ATOM 794 OH TYR A 130 -0.283 -7.298 12.780 1.00 39.79 O ATOM 0 H TYR A 130 6.534 -8.191 10.158 1.00 32.73 H new ATOM 0 HA TYR A 130 5.726 -6.659 12.238 1.00 31.20 H new ATOM 0 HB2 TYR A 130 5.331 -9.384 11.734 1.00 33.79 H new ATOM 0 HB3 TYR A 130 5.521 -9.000 13.234 1.00 33.79 H new ATOM 0 HD1 TYR A 130 3.033 -9.869 11.403 1.00 36.51 H new ATOM 0 HD2 TYR A 130 3.977 -6.631 13.572 1.00 38.00 H new ATOM 0 HE1 TYR A 130 0.776 -9.321 11.570 1.00 35.84 H new ATOM 0 HE2 TYR A 130 1.729 -6.081 13.752 1.00 36.94 H new ATOM 0 HH TYR A 130 -0.354 -6.594 13.233 1.00 39.79 H new ATOM 795 N SER A 131 7.752 -6.682 13.531 1.00 29.25 N ATOM 796 CA SER A 131 8.975 -6.655 14.327 1.00 30.67 C ATOM 797 C SER A 131 8.537 -6.229 15.728 1.00 30.84 C ATOM 798 O SER A 131 7.607 -5.439 15.864 1.00 31.35 O ATOM 799 CB SER A 131 9.959 -5.631 13.759 1.00 29.35 C ATOM 800 OG SER A 131 11.057 -5.468 14.631 1.00 27.66 O ATOM 0 H SER A 131 7.221 -6.024 13.690 1.00 29.25 H new ATOM 0 HA SER A 131 9.421 -7.516 14.327 1.00 30.67 H new ATOM 0 HB2 SER A 131 10.271 -5.922 12.888 1.00 29.35 H new ATOM 0 HB3 SER A 131 9.511 -4.780 13.631 1.00 29.35 H new ATOM 0 HG SER A 131 11.771 -5.618 14.214 1.00 27.66 H new ATOM 801 N ASN A 132 9.158 -6.757 16.775 1.00 30.88 N ATOM 802 CA ASN A 132 8.762 -6.330 18.119 1.00 30.61 C ATOM 803 C ASN A 132 9.844 -5.408 18.681 1.00 28.57 C ATOM 804 O ASN A 132 9.896 -5.131 19.874 1.00 27.10 O ATOM 805 CB ASN A 132 8.546 -7.532 19.043 1.00 30.84 C ATOM 806 CG ASN A 132 9.799 -8.360 19.216 1.00 32.62 C ATOM 807 OD1 ASN A 132 10.858 -8.041 18.650 1.00 33.32 O ATOM 808 ND2 ASN A 132 9.693 -9.433 19.993 1.00 30.63 N ATOM 0 H ASN A 132 9.788 -7.342 16.739 1.00 30.88 H new ATOM 0 HA ASN A 132 7.919 -5.853 18.065 1.00 30.61 H new ATOM 0 HB2 ASN A 132 8.246 -7.220 19.911 1.00 30.84 H new ATOM 0 HB3 ASN A 132 7.840 -8.091 18.683 1.00 30.84 H new ATOM 0 HD21 ASN A 132 10.376 -9.940 20.121 1.00 30.63 H new ATOM 0 HD22 ASN A 132 8.942 -9.620 20.367 1.00 30.63 H new ATOM 809 N SER A 133 10.709 -4.936 17.795 1.00 27.10 N ATOM 810 CA SER A 133 11.772 -4.037 18.187 1.00 27.48 C ATOM 811 C SER A 133 11.308 -2.594 18.078 1.00 29.13 C ATOM 812 O SER A 133 11.339 -1.992 17.006 1.00 30.03 O ATOM 813 CB SER A 133 12.994 -4.248 17.299 1.00 27.47 C ATOM 814 OG SER A 133 14.054 -3.421 17.718 1.00 29.05 O ATOM 0 H SER A 133 10.694 -5.128 16.957 1.00 27.10 H new ATOM 0 HA SER A 133 12.010 -4.226 19.108 1.00 27.48 H new ATOM 0 HB2 SER A 133 13.269 -5.178 17.332 1.00 27.47 H new ATOM 0 HB3 SER A 133 12.768 -4.052 16.376 1.00 27.47 H new ATOM 0 HG SER A 133 13.964 -3.242 18.534 1.00 29.05 H new ATOM 815 N GLN A 134 10.861 -2.045 19.196 1.00 31.07 N ATOM 816 CA GLN A 134 10.405 -0.665 19.253 1.00 33.37 C ATOM 817 C GLN A 134 11.513 0.249 18.694 1.00 33.88 C ATOM 818 O GLN A 134 11.252 1.164 17.906 1.00 32.96 O ATOM 819 CB GLN A 134 10.084 -0.316 20.717 1.00 36.29 C ATOM 820 CG GLN A 134 9.501 1.070 20.964 1.00 40.84 C ATOM 821 CD GLN A 134 10.436 2.190 20.525 1.00 45.30 C ATOM 822 OE1 GLN A 134 11.638 2.245 21.119 1.00 50.08 O flip ATOM 823 NE2 GLN A 134 10.081 2.999 19.653 1.00 44.60 N flip ATOM 0 H GLN A 134 10.813 -2.463 19.946 1.00 31.07 H new ATOM 0 HA GLN A 134 9.605 -0.540 18.719 1.00 33.37 H new ATOM 0 HB2 GLN A 134 9.459 -0.975 21.058 1.00 36.29 H new ATOM 0 HB3 GLN A 134 10.898 -0.402 21.237 1.00 36.29 H new ATOM 0 HG2 GLN A 134 8.659 1.152 20.489 1.00 40.84 H new ATOM 0 HG3 GLN A 134 9.304 1.170 21.909 1.00 40.84 H new ATOM 0 HE21 GLN A 134 9.302 2.931 19.295 1.00 44.60 H new ATOM 0 HE22 GLN A 134 10.614 3.627 19.407 1.00 44.60 H new ATOM 824 N THR A 135 12.754 -0.020 19.097 1.00 34.91 N ATOM 825 CA THR A 135 13.906 0.766 18.658 1.00 34.51 C ATOM 826 C THR A 135 14.135 0.735 17.141 1.00 33.82 C ATOM 827 O THR A 135 14.379 1.768 16.537 1.00 34.43 O ATOM 828 CB THR A 135 15.209 0.286 19.362 1.00 34.84 C ATOM 829 OG1 THR A 135 15.074 0.413 20.789 1.00 34.80 O ATOM 830 CG2 THR A 135 16.398 1.107 18.884 1.00 33.04 C ATOM 0 H THR A 135 12.952 -0.663 19.633 1.00 34.91 H new ATOM 0 HA THR A 135 13.697 1.680 18.907 1.00 34.51 H new ATOM 0 HB THR A 135 15.358 -0.646 19.138 1.00 34.84 H new ATOM 0 HG1 THR A 135 15.767 0.766 21.106 1.00 34.80 H new ATOM 0 HG21 THR A 135 17.203 0.800 19.329 1.00 33.04 H new ATOM 0 HG22 THR A 135 16.499 1.003 17.925 1.00 33.04 H new ATOM 0 HG23 THR A 135 16.251 2.043 19.093 1.00 33.04 H new ATOM 831 N ALA A 136 14.067 -0.446 16.532 1.00 33.51 N ATOM 832 CA ALA A 136 14.290 -0.582 15.090 1.00 33.50 C ATOM 833 C ALA A 136 13.106 -0.025 14.287 1.00 33.88 C ATOM 834 O ALA A 136 13.278 0.814 13.400 1.00 33.39 O ATOM 835 CB ALA A 136 14.535 -2.049 14.732 1.00 32.26 C ATOM 0 H ALA A 136 13.892 -1.185 16.936 1.00 33.51 H new ATOM 0 HA ALA A 136 15.076 -0.064 14.856 1.00 33.50 H new ATOM 0 HB1 ALA A 136 14.681 -2.129 13.776 1.00 32.26 H new ATOM 0 HB2 ALA A 136 15.317 -2.372 15.207 1.00 32.26 H new ATOM 0 HB3 ALA A 136 13.762 -2.578 14.986 1.00 32.26 H new ATOM 836 N ILE A 137 11.905 -0.505 14.591 1.00 33.72 N ATOM 837 CA ILE A 137 10.712 -0.021 13.919 1.00 32.67 C ATOM 838 C ILE A 137 10.860 1.491 13.791 1.00 34.50 C ATOM 839 O ILE A 137 10.500 2.077 12.766 1.00 35.51 O ATOM 840 CB ILE A 137 9.436 -0.348 14.739 1.00 30.78 C ATOM 841 CG1 ILE A 137 9.134 -1.847 14.639 1.00 28.12 C ATOM 842 CG2 ILE A 137 8.264 0.521 14.273 1.00 28.18 C ATOM 843 CD1 ILE A 137 7.856 -2.267 15.347 1.00 24.58 C ATOM 0 H ILE A 137 11.762 -1.111 15.184 1.00 33.72 H new ATOM 0 HA ILE A 137 10.620 -0.448 13.053 1.00 32.67 H new ATOM 0 HB ILE A 137 9.582 -0.139 15.675 1.00 30.78 H new ATOM 0 HG12 ILE A 137 9.071 -2.093 13.703 1.00 28.12 H new ATOM 0 HG13 ILE A 137 9.879 -2.344 15.013 1.00 28.12 H new ATOM 0 HG21 ILE A 137 7.474 0.306 14.794 1.00 28.18 H new ATOM 0 HG22 ILE A 137 8.486 1.457 14.395 1.00 28.18 H new ATOM 0 HG23 ILE A 137 8.088 0.351 13.334 1.00 28.18 H new ATOM 0 HD11 ILE A 137 7.728 -3.223 15.244 1.00 24.58 H new ATOM 0 HD12 ILE A 137 7.922 -2.050 16.290 1.00 24.58 H new ATOM 0 HD13 ILE A 137 7.102 -1.796 14.960 1.00 24.58 H new ATOM 844 N LYS A 138 11.391 2.123 14.838 1.00 35.68 N ATOM 845 CA LYS A 138 11.595 3.557 14.789 1.00 36.41 C ATOM 846 C LYS A 138 12.799 3.863 13.904 1.00 37.90 C ATOM 847 O LYS A 138 12.653 4.537 12.885 1.00 38.35 O ATOM 848 CB LYS A 138 11.826 4.159 16.171 1.00 36.03 C ATOM 849 CG LYS A 138 12.828 5.308 16.104 1.00 38.15 C ATOM 850 CD LYS A 138 12.554 6.422 17.087 1.00 41.92 C ATOM 851 CE LYS A 138 13.668 7.496 17.025 1.00 44.47 C ATOM 852 NZ LYS A 138 13.957 8.035 15.641 1.00 41.43 N ATOM 0 H LYS A 138 11.634 1.743 15.570 1.00 35.68 H new ATOM 0 HA LYS A 138 10.788 3.954 14.426 1.00 36.41 H new ATOM 0 HB2 LYS A 138 10.985 4.479 16.533 1.00 36.03 H new ATOM 0 HB3 LYS A 138 12.153 3.475 16.776 1.00 36.03 H new ATOM 0 HG2 LYS A 138 13.718 4.958 16.266 1.00 38.15 H new ATOM 0 HG3 LYS A 138 12.826 5.674 15.206 1.00 38.15 H new ATOM 0 HD2 LYS A 138 11.696 6.829 16.890 1.00 41.92 H new ATOM 0 HD3 LYS A 138 12.497 6.060 17.985 1.00 41.92 H new ATOM 0 HE2 LYS A 138 13.418 8.236 17.600 1.00 44.47 H new ATOM 0 HE3 LYS A 138 14.484 7.118 17.388 1.00 44.47 H new ATOM 0 HZ1 LYS A 138 14.624 8.622 15.684 1.00 41.43 H new ATOM 0 HZ2 LYS A 138 14.187 7.364 15.103 1.00 41.43 H new ATOM 0 HZ3 LYS A 138 13.230 8.436 15.321 1.00 41.43 H new ATOM 853 N TRP A 139 13.984 3.377 14.274 1.00 36.65 N ATOM 854 CA TRP A 139 15.147 3.662 13.448 1.00 37.26 C ATOM 855 C TRP A 139 14.727 3.643 11.985 1.00 37.48 C ATOM 856 O TRP A 139 14.921 4.623 11.284 1.00 37.84 O ATOM 857 CB TRP A 139 16.287 2.653 13.671 1.00 36.09 C ATOM 858 CG TRP A 139 17.042 2.845 14.954 1.00 36.25 C ATOM 859 CD1 TRP A 139 16.770 3.755 15.927 1.00 37.32 C ATOM 860 CD2 TRP A 139 18.157 2.064 15.433 1.00 36.20 C ATOM 861 NE1 TRP A 139 17.635 3.590 16.983 1.00 38.49 N ATOM 862 CE2 TRP A 139 18.495 2.560 16.706 1.00 36.51 C ATOM 863 CE3 TRP A 139 18.897 0.991 14.910 1.00 36.59 C ATOM 864 CZ2 TRP A 139 19.543 2.020 17.470 1.00 36.78 C ATOM 865 CZ3 TRP A 139 19.942 0.454 15.674 1.00 34.44 C ATOM 866 CH2 TRP A 139 20.249 0.970 16.937 1.00 35.26 C ATOM 0 H TRP A 139 14.130 2.898 14.973 1.00 36.65 H new ATOM 0 HA TRP A 139 15.485 4.536 13.699 1.00 37.26 H new ATOM 0 HB2 TRP A 139 15.918 1.756 13.657 1.00 36.09 H new ATOM 0 HB3 TRP A 139 16.909 2.716 12.930 1.00 36.09 H new ATOM 0 HD1 TRP A 139 16.097 4.396 15.884 1.00 37.32 H new ATOM 0 HE1 TRP A 139 17.636 4.059 17.704 1.00 38.49 H new ATOM 0 HE3 TRP A 139 18.697 0.643 14.071 1.00 36.59 H new ATOM 0 HZ2 TRP A 139 19.752 2.362 18.309 1.00 36.78 H new ATOM 0 HZ3 TRP A 139 20.439 -0.256 15.336 1.00 34.44 H new ATOM 0 HH2 TRP A 139 20.945 0.594 17.426 1.00 35.26 H new ATOM 867 N VAL A 140 14.118 2.546 11.542 1.00 39.07 N ATOM 868 CA VAL A 140 13.680 2.410 10.155 1.00 41.24 C ATOM 869 C VAL A 140 12.714 3.492 9.680 1.00 43.59 C ATOM 870 O VAL A 140 12.838 4.000 8.568 1.00 45.32 O ATOM 871 CB VAL A 140 13.028 1.051 9.914 1.00 40.73 C ATOM 872 CG1 VAL A 140 12.243 1.068 8.603 1.00 40.78 C ATOM 873 CG2 VAL A 140 14.102 -0.012 9.858 1.00 40.90 C ATOM 0 H VAL A 140 13.948 1.862 12.035 1.00 39.07 H new ATOM 0 HA VAL A 140 14.496 2.505 9.639 1.00 41.24 H new ATOM 0 HB VAL A 140 12.414 0.856 10.639 1.00 40.73 H new ATOM 0 HG11 VAL A 140 11.833 0.201 8.460 1.00 40.78 H new ATOM 0 HG12 VAL A 140 11.553 1.748 8.648 1.00 40.78 H new ATOM 0 HG13 VAL A 140 12.844 1.266 7.868 1.00 40.78 H new ATOM 0 HG21 VAL A 140 13.693 -0.878 9.705 1.00 40.90 H new ATOM 0 HG22 VAL A 140 14.717 0.187 9.135 1.00 40.90 H new ATOM 0 HG23 VAL A 140 14.586 -0.028 10.698 1.00 40.90 H new ATOM 874 N LYS A 141 11.733 3.829 10.501 1.00 44.59 N ATOM 875 CA LYS A 141 10.806 4.868 10.106 1.00 46.29 C ATOM 876 C LYS A 141 11.634 6.107 9.790 1.00 47.25 C ATOM 877 O LYS A 141 11.393 6.795 8.805 1.00 47.87 O ATOM 878 CB LYS A 141 9.849 5.166 11.249 1.00 47.24 C ATOM 879 CG LYS A 141 8.962 6.369 11.026 1.00 48.44 C ATOM 880 CD LYS A 141 8.228 6.693 12.307 1.00 49.30 C ATOM 881 CE LYS A 141 7.296 7.863 12.135 1.00 50.50 C ATOM 882 NZ LYS A 141 6.750 8.282 13.460 1.00 51.81 N ATOM 0 H LYS A 141 11.589 3.477 11.273 1.00 44.59 H new ATOM 0 HA LYS A 141 10.284 4.593 9.336 1.00 46.29 H new ATOM 0 HB2 LYS A 141 9.289 4.388 11.398 1.00 47.24 H new ATOM 0 HB3 LYS A 141 10.364 5.304 12.059 1.00 47.24 H new ATOM 0 HG2 LYS A 141 9.495 7.129 10.745 1.00 48.44 H new ATOM 0 HG3 LYS A 141 8.328 6.189 10.314 1.00 48.44 H new ATOM 0 HD2 LYS A 141 7.723 5.917 12.596 1.00 49.30 H new ATOM 0 HD3 LYS A 141 8.870 6.891 13.007 1.00 49.30 H new ATOM 0 HE2 LYS A 141 7.768 8.604 11.723 1.00 50.50 H new ATOM 0 HE3 LYS A 141 6.569 7.622 11.539 1.00 50.50 H new ATOM 0 HZ1 LYS A 141 6.201 8.973 13.350 1.00 51.81 H new ATOM 0 HZ2 LYS A 141 6.304 7.604 13.825 1.00 51.81 H new ATOM 0 HZ3 LYS A 141 7.420 8.519 13.996 1.00 51.81 H new ATOM 883 N ASP A 142 12.621 6.365 10.643 1.00 49.81 N ATOM 884 CA ASP A 142 13.518 7.514 10.526 1.00 50.79 C ATOM 885 C ASP A 142 14.700 7.227 9.609 1.00 51.53 C ATOM 886 O ASP A 142 15.635 8.018 9.555 1.00 50.95 O ATOM 887 CB ASP A 142 14.076 7.900 11.906 1.00 51.77 C ATOM 888 CG ASP A 142 12.983 8.212 12.929 1.00 54.79 C ATOM 889 OD1 ASP A 142 12.054 7.389 13.080 1.00 56.14 O ATOM 890 OD2 ASP A 142 13.055 9.271 13.599 1.00 55.49 O ATOM 0 H ASP A 142 12.793 5.866 11.322 1.00 49.81 H new ATOM 0 HA ASP A 142 12.992 8.237 10.150 1.00 50.79 H new ATOM 0 HB2 ASP A 142 14.627 7.175 12.240 1.00 51.77 H new ATOM 0 HB3 ASP A 142 14.653 8.674 11.811 1.00 51.77 H new ATOM 891 N LYS A 143 14.675 6.101 8.906 1.00 53.03 N ATOM 892 CA LYS A 143 15.783 5.740 8.026 1.00 56.41 C ATOM 893 C LYS A 143 17.166 5.989 8.655 1.00 57.92 C ATOM 894 O LYS A 143 18.151 6.172 7.938 1.00 58.83 O ATOM 895 CB LYS A 143 15.675 6.518 6.713 1.00 58.31 C ATOM 896 CG LYS A 143 14.873 5.802 5.641 1.00 61.13 C ATOM 897 CD LYS A 143 13.756 6.661 5.080 1.00 62.96 C ATOM 898 CE LYS A 143 12.968 5.891 4.038 1.00 64.31 C ATOM 899 NZ LYS A 143 11.743 6.630 3.644 1.00 66.49 N ATOM 0 H LYS A 143 14.029 5.533 8.923 1.00 53.03 H new ATOM 0 HA LYS A 143 15.711 4.786 7.867 1.00 56.41 H new ATOM 0 HB2 LYS A 143 15.266 7.380 6.890 1.00 58.31 H new ATOM 0 HB3 LYS A 143 16.568 6.692 6.375 1.00 58.31 H new ATOM 0 HG2 LYS A 143 15.466 5.537 4.921 1.00 61.13 H new ATOM 0 HG3 LYS A 143 14.496 4.989 6.012 1.00 61.13 H new ATOM 0 HD2 LYS A 143 13.166 6.943 5.797 1.00 62.96 H new ATOM 0 HD3 LYS A 143 14.126 7.465 4.684 1.00 62.96 H new ATOM 0 HE2 LYS A 143 13.522 5.737 3.257 1.00 64.31 H new ATOM 0 HE3 LYS A 143 12.725 5.020 4.390 1.00 64.31 H new ATOM 0 HZ1 LYS A 143 11.297 6.161 3.033 1.00 66.49 H new ATOM 0 HZ2 LYS A 143 11.227 6.752 4.359 1.00 66.49 H new ATOM 0 HZ3 LYS A 143 11.970 7.420 3.303 1.00 66.49 H new ATOM 900 N LYS A 144 17.245 5.981 9.986 1.00 58.91 N ATOM 901 CA LYS A 144 18.511 6.242 10.673 1.00 59.54 C ATOM 902 C LYS A 144 18.802 5.384 11.899 1.00 58.56 C ATOM 903 O LYS A 144 18.196 5.561 12.957 1.00 57.81 O ATOM 904 CB LYS A 144 18.592 7.721 11.080 1.00 62.65 C ATOM 905 CG LYS A 144 19.871 8.094 11.839 1.00 66.02 C ATOM 906 CD LYS A 144 21.112 7.729 11.021 1.00 69.05 C ATOM 907 CE LYS A 144 22.406 7.886 11.804 1.00 68.58 C ATOM 908 NZ LYS A 144 23.549 7.373 10.999 1.00 68.02 N ATOM 0 H LYS A 144 16.579 5.827 10.508 1.00 58.91 H new ATOM 0 HA LYS A 144 19.187 6.001 10.020 1.00 59.54 H new ATOM 0 HB2 LYS A 144 18.529 8.270 10.282 1.00 62.65 H new ATOM 0 HB3 LYS A 144 17.825 7.936 11.633 1.00 62.65 H new ATOM 0 HG2 LYS A 144 19.873 9.045 12.031 1.00 66.02 H new ATOM 0 HG3 LYS A 144 19.893 7.632 12.692 1.00 66.02 H new ATOM 0 HD2 LYS A 144 21.034 6.812 10.716 1.00 69.05 H new ATOM 0 HD3 LYS A 144 21.148 8.289 10.230 1.00 69.05 H new ATOM 0 HE2 LYS A 144 22.549 8.820 12.025 1.00 68.58 H new ATOM 0 HE3 LYS A 144 22.347 7.402 12.642 1.00 68.58 H new ATOM 0 HZ1 LYS A 144 24.230 7.181 11.539 1.00 68.02 H new ATOM 0 HZ2 LYS A 144 23.299 6.638 10.563 1.00 68.02 H new ATOM 0 HZ3 LYS A 144 23.802 7.993 10.413 1.00 68.02 H new ATOM 909 N ALA A 145 19.758 4.472 11.742 1.00 58.14 N ATOM 910 CA ALA A 145 20.182 3.574 12.815 1.00 57.51 C ATOM 911 C ALA A 145 21.097 4.341 13.776 1.00 56.42 C ATOM 912 O ALA A 145 22.232 4.667 13.435 1.00 57.18 O ATOM 913 CB ALA A 145 20.919 2.368 12.228 1.00 56.16 C ATOM 0 H ALA A 145 20.183 4.356 11.003 1.00 58.14 H new ATOM 0 HA ALA A 145 19.405 3.252 13.298 1.00 57.51 H new ATOM 0 HB1 ALA A 145 21.197 1.778 12.946 1.00 56.16 H new ATOM 0 HB2 ALA A 145 20.328 1.889 11.626 1.00 56.16 H new ATOM 0 HB3 ALA A 145 21.700 2.672 11.740 1.00 56.16 H new ATOM 914 N LYS A 146 20.591 4.596 14.980 1.00 54.71 N ATOM 915 CA LYS A 146 21.298 5.348 16.009 1.00 53.46 C ATOM 916 C LYS A 146 22.031 4.477 17.026 1.00 52.09 C ATOM 917 O LYS A 146 21.903 4.683 18.226 1.00 50.70 O ATOM 918 CB LYS A 146 20.283 6.229 16.730 1.00 54.92 C ATOM 919 CG LYS A 146 20.801 7.565 17.187 1.00 56.70 C ATOM 920 CD LYS A 146 19.639 8.464 17.582 1.00 57.94 C ATOM 921 CE LYS A 146 20.144 9.841 17.931 1.00 59.42 C ATOM 922 NZ LYS A 146 21.040 10.333 16.848 1.00 60.68 N ATOM 0 H LYS A 146 19.811 4.330 15.225 1.00 54.71 H new ATOM 0 HA LYS A 146 21.985 5.870 15.565 1.00 53.46 H new ATOM 0 HB2 LYS A 146 19.528 6.376 16.140 1.00 54.92 H new ATOM 0 HB3 LYS A 146 19.949 5.747 17.503 1.00 54.92 H new ATOM 0 HG2 LYS A 146 21.400 7.448 17.941 1.00 56.70 H new ATOM 0 HG3 LYS A 146 21.315 7.981 16.478 1.00 56.70 H new ATOM 0 HD2 LYS A 146 19.002 8.521 16.852 1.00 57.94 H new ATOM 0 HD3 LYS A 146 19.169 8.083 18.340 1.00 57.94 H new ATOM 0 HE2 LYS A 146 19.398 10.449 18.047 1.00 59.42 H new ATOM 0 HE3 LYS A 146 20.624 9.816 18.774 1.00 59.42 H new ATOM 0 HZ1 LYS A 146 21.059 11.223 16.859 1.00 60.68 H new ATOM 0 HZ2 LYS A 146 21.862 10.017 16.976 1.00 60.68 H new ATOM 0 HZ3 LYS A 146 20.735 10.053 16.060 1.00 60.68 H new ATOM 923 N SER A 147 22.805 3.511 16.546 1.00 52.59 N ATOM 924 CA SER A 147 23.547 2.613 17.427 1.00 52.68 C ATOM 925 C SER A 147 24.816 3.222 17.989 1.00 52.44 C ATOM 926 O SER A 147 25.656 3.747 17.255 1.00 52.52 O ATOM 927 CB SER A 147 23.919 1.325 16.701 1.00 55.00 C ATOM 928 OG SER A 147 24.627 0.448 17.569 1.00 56.45 O ATOM 0 H SER A 147 22.916 3.357 15.707 1.00 52.59 H new ATOM 0 HA SER A 147 22.947 2.433 18.168 1.00 52.68 H new ATOM 0 HB2 SER A 147 23.117 0.888 16.376 1.00 55.00 H new ATOM 0 HB3 SER A 147 24.464 1.531 15.926 1.00 55.00 H new ATOM 0 HG SER A 147 24.085 -0.069 17.948 1.00 56.45 H new ATOM 929 N THR A 148 24.953 3.103 19.302 1.00 52.31 N ATOM 930 CA THR A 148 26.091 3.620 20.045 1.00 51.53 C ATOM 931 C THR A 148 27.198 2.575 20.202 1.00 52.92 C ATOM 932 O THR A 148 27.948 2.606 21.169 1.00 53.82 O ATOM 933 CB THR A 148 25.651 4.041 21.442 1.00 50.20 C ATOM 934 OG1 THR A 148 25.195 2.881 22.150 1.00 48.39 O ATOM 935 CG2 THR A 148 24.518 5.063 21.368 1.00 48.15 C ATOM 0 H THR A 148 24.371 2.709 19.798 1.00 52.31 H new ATOM 0 HA THR A 148 26.435 4.374 19.542 1.00 51.53 H new ATOM 0 HB THR A 148 26.403 4.447 21.901 1.00 50.20 H new ATOM 0 HG1 THR A 148 24.945 2.297 21.600 1.00 48.39 H new ATOM 0 HG21 THR A 148 24.253 5.318 22.266 1.00 48.15 H new ATOM 0 HG22 THR A 148 24.821 5.848 20.886 1.00 48.15 H new ATOM 0 HG23 THR A 148 23.760 4.673 20.906 1.00 48.15 H new ATOM 936 N LEU A 149 27.283 1.633 19.273 1.00 55.48 N ATOM 937 CA LEU A 149 28.319 0.605 19.324 1.00 58.06 C ATOM 938 C LEU A 149 29.589 1.180 18.716 1.00 60.85 C ATOM 939 O LEU A 149 29.550 1.832 17.671 1.00 62.16 O ATOM 940 CB LEU A 149 27.906 -0.634 18.523 1.00 57.40 C ATOM 941 CG LEU A 149 28.989 -1.706 18.335 1.00 56.63 C ATOM 942 CD1 LEU A 149 29.273 -2.345 19.670 1.00 57.39 C ATOM 943 CD2 LEU A 149 28.551 -2.772 17.346 1.00 56.16 C ATOM 0 H LEU A 149 26.750 1.569 18.601 1.00 55.48 H new ATOM 0 HA LEU A 149 28.458 0.342 20.247 1.00 58.06 H new ATOM 0 HB2 LEU A 149 27.144 -1.043 18.963 1.00 57.40 H new ATOM 0 HB3 LEU A 149 27.606 -0.346 17.647 1.00 57.40 H new ATOM 0 HG LEU A 149 29.787 -1.282 17.981 1.00 56.63 H new ATOM 0 HD11 LEU A 149 29.957 -3.025 19.565 1.00 57.39 H new ATOM 0 HD12 LEU A 149 29.583 -1.669 20.293 1.00 57.39 H new ATOM 0 HD13 LEU A 149 28.462 -2.753 20.013 1.00 57.39 H new ATOM 0 HD21 LEU A 149 29.255 -3.433 17.249 1.00 56.16 H new ATOM 0 HD22 LEU A 149 27.745 -3.204 17.671 1.00 56.16 H new ATOM 0 HD23 LEU A 149 28.373 -2.362 16.485 1.00 56.16 H new ATOM 944 N VAL A 150 30.719 0.923 19.362 1.00 64.00 N ATOM 945 CA VAL A 150 32.006 1.425 18.889 1.00 66.07 C ATOM 946 C VAL A 150 32.401 0.854 17.525 1.00 68.27 C ATOM 947 O VAL A 150 32.095 -0.296 17.195 1.00 68.65 O ATOM 948 CB VAL A 150 33.131 1.101 19.908 1.00 64.88 C ATOM 949 CG1 VAL A 150 33.432 -0.395 19.907 1.00 62.98 C ATOM 950 CG2 VAL A 150 34.369 1.909 19.587 1.00 64.92 C ATOM 0 H VAL A 150 30.764 0.456 20.083 1.00 64.00 H new ATOM 0 HA VAL A 150 31.901 2.385 18.796 1.00 66.07 H new ATOM 0 HB VAL A 150 32.833 1.344 20.799 1.00 64.88 H new ATOM 0 HG11 VAL A 150 34.136 -0.584 20.547 1.00 62.98 H new ATOM 0 HG12 VAL A 150 32.632 -0.886 20.152 1.00 62.98 H new ATOM 0 HG13 VAL A 150 33.719 -0.667 19.021 1.00 62.98 H new ATOM 0 HG21 VAL A 150 35.067 1.701 20.228 1.00 64.92 H new ATOM 0 HG22 VAL A 150 34.676 1.690 18.693 1.00 64.92 H new ATOM 0 HG23 VAL A 150 34.159 2.855 19.634 1.00 64.92 H new ATOM 951 N ARG A 151 33.080 1.667 16.729 1.00 69.97 N ATOM 952 CA ARG A 151 33.527 1.211 15.426 1.00 72.83 C ATOM 953 C ARG A 151 35.005 0.829 15.512 1.00 74.43 C ATOM 954 O ARG A 151 35.870 1.690 15.652 1.00 74.91 O ATOM 955 CB ARG A 151 33.336 2.313 14.381 1.00 73.03 C ATOM 956 CG ARG A 151 31.906 2.509 13.886 1.00 73.09 C ATOM 957 CD ARG A 151 31.790 3.823 13.112 1.00 71.93 C ATOM 958 NE ARG A 151 30.559 3.959 12.331 1.00 70.85 N ATOM 959 CZ ARG A 151 30.254 3.207 11.275 1.00 70.94 C ATOM 960 NH1 ARG A 151 31.084 2.251 10.869 1.00 69.93 N ATOM 961 NH2 ARG A 151 29.130 3.430 10.600 1.00 70.30 N ATOM 0 H ARG A 151 33.290 2.478 16.923 1.00 69.97 H new ATOM 0 HA ARG A 151 33.002 0.440 15.159 1.00 72.83 H new ATOM 0 HB2 ARG A 151 33.649 3.151 14.756 1.00 73.03 H new ATOM 0 HB3 ARG A 151 33.901 2.115 13.618 1.00 73.03 H new ATOM 0 HG2 ARG A 151 31.649 1.767 13.317 1.00 73.09 H new ATOM 0 HG3 ARG A 151 31.294 2.514 14.639 1.00 73.09 H new ATOM 0 HD2 ARG A 151 31.845 4.561 13.739 1.00 71.93 H new ATOM 0 HD3 ARG A 151 32.550 3.901 12.514 1.00 71.93 H new ATOM 0 HE ARG A 151 29.996 4.564 12.570 1.00 70.85 H new ATOM 0 HH11 ARG A 151 31.822 2.116 11.289 1.00 69.93 H new ATOM 0 HH12 ARG A 151 30.883 1.768 10.187 1.00 69.93 H new ATOM 0 HH21 ARG A 151 28.599 4.060 10.845 1.00 70.30 H new ATOM 0 HH22 ARG A 151 28.934 2.944 9.918 1.00 70.30 H new ATOM 962 N ASN A 152 35.283 -0.468 15.465 1.00 76.26 N ATOM 963 CA ASN A 152 36.651 -0.966 15.497 1.00 78.88 C ATOM 964 C ASN A 152 36.670 -2.231 14.642 1.00 81.03 C ATOM 965 O ASN A 152 35.621 -2.835 14.401 1.00 81.02 O ATOM 966 CB ASN A 152 37.110 -1.248 16.936 1.00 79.26 C ATOM 967 CG ASN A 152 36.365 -2.402 17.585 1.00 80.79 C ATOM 968 OD1 ASN A 152 36.473 -3.552 17.154 1.00 80.07 O ATOM 969 ND2 ASN A 152 35.608 -2.100 18.637 1.00 81.53 N ATOM 0 H ASN A 152 34.684 -1.083 15.414 1.00 76.26 H new ATOM 0 HA ASN A 152 37.270 -0.306 15.148 1.00 78.88 H new ATOM 0 HB2 ASN A 152 38.060 -1.444 16.934 1.00 79.26 H new ATOM 0 HB3 ASN A 152 36.986 -0.449 17.471 1.00 79.26 H new ATOM 0 HD21 ASN A 152 35.170 -2.719 19.044 1.00 81.53 H new ATOM 0 HD22 ASN A 152 35.556 -1.286 18.910 1.00 81.53 H new ATOM 970 N GLU A 153 37.853 -2.626 14.178 1.00 83.49 N ATOM 971 CA GLU A 153 37.993 -3.795 13.304 1.00 85.51 C ATOM 972 C GLU A 153 37.185 -5.049 13.671 1.00 85.33 C ATOM 973 O GLU A 153 37.015 -5.933 12.833 1.00 85.81 O ATOM 974 CB GLU A 153 39.483 -4.160 13.127 1.00 87.11 C ATOM 975 CG GLU A 153 40.196 -4.744 14.355 1.00 89.65 C ATOM 976 CD GLU A 153 40.371 -3.748 15.500 1.00 91.25 C ATOM 977 OE1 GLU A 153 40.991 -2.676 15.291 1.00 90.74 O ATOM 978 OE2 GLU A 153 39.891 -4.049 16.616 1.00 92.06 O ATOM 0 H GLU A 153 38.594 -2.229 14.358 1.00 83.49 H new ATOM 0 HA GLU A 153 37.595 -3.499 12.470 1.00 85.51 H new ATOM 0 HB2 GLU A 153 39.555 -4.800 12.402 1.00 87.11 H new ATOM 0 HB3 GLU A 153 39.960 -3.362 12.850 1.00 87.11 H new ATOM 0 HG2 GLU A 153 39.693 -5.509 14.677 1.00 89.65 H new ATOM 0 HG3 GLU A 153 41.069 -5.071 14.086 1.00 89.65 H new ATOM 979 N GLU A 154 36.679 -5.129 14.900 1.00 85.15 N ATOM 980 CA GLU A 154 35.887 -6.291 15.314 1.00 84.73 C ATOM 981 C GLU A 154 34.389 -6.107 15.047 1.00 83.03 C ATOM 982 O GLU A 154 33.673 -7.072 14.767 1.00 82.41 O ATOM 983 CB GLU A 154 36.127 -6.605 16.794 1.00 86.09 C ATOM 984 CG GLU A 154 37.521 -7.151 17.071 1.00 88.27 C ATOM 985 CD GLU A 154 37.609 -7.885 18.396 1.00 90.18 C ATOM 986 OE1 GLU A 154 38.721 -8.337 18.749 1.00 90.71 O ATOM 987 OE2 GLU A 154 36.569 -8.015 19.081 1.00 91.20 O ATOM 0 H GLU A 154 36.780 -4.528 15.506 1.00 85.15 H new ATOM 0 HA GLU A 154 36.184 -7.040 14.774 1.00 84.73 H new ATOM 0 HB2 GLU A 154 35.992 -5.799 17.316 1.00 86.09 H new ATOM 0 HB3 GLU A 154 35.468 -7.250 17.093 1.00 86.09 H new ATOM 0 HG2 GLU A 154 37.777 -7.753 16.354 1.00 88.27 H new ATOM 0 HG3 GLU A 154 38.158 -6.419 17.068 1.00 88.27 H new ATOM 988 N THR A 155 33.923 -4.867 15.149 1.00 80.94 N ATOM 989 CA THR A 155 32.533 -4.544 14.880 1.00 78.53 C ATOM 990 C THR A 155 32.524 -4.039 13.442 1.00 78.07 C ATOM 991 O THR A 155 31.933 -3.008 13.128 1.00 78.47 O ATOM 992 CB THR A 155 32.014 -3.444 15.832 1.00 77.52 C ATOM 993 OG1 THR A 155 32.841 -2.280 15.733 1.00 75.18 O ATOM 994 CG2 THR A 155 32.030 -3.943 17.260 1.00 78.26 C ATOM 0 H THR A 155 34.405 -4.192 15.376 1.00 80.94 H new ATOM 0 HA THR A 155 31.957 -5.313 15.013 1.00 78.53 H new ATOM 0 HB THR A 155 31.105 -3.219 15.578 1.00 77.52 H new ATOM 0 HG1 THR A 155 32.538 -1.677 16.233 1.00 75.18 H new ATOM 0 HG21 THR A 155 31.703 -3.246 17.850 1.00 78.26 H new ATOM 0 HG22 THR A 155 31.461 -4.725 17.336 1.00 78.26 H new ATOM 0 HG23 THR A 155 32.937 -4.179 17.510 1.00 78.26 H new ATOM 995 N ALA A 156 33.193 -4.784 12.571 1.00 77.04 N ATOM 996 CA ALA A 156 33.309 -4.421 11.164 1.00 76.15 C ATOM 997 C ALA A 156 32.103 -4.815 10.328 1.00 74.74 C ATOM 998 O ALA A 156 31.412 -3.956 9.766 1.00 73.86 O ATOM 999 CB ALA A 156 34.567 -5.054 10.577 1.00 76.79 C ATOM 0 H ALA A 156 33.594 -5.516 12.779 1.00 77.04 H new ATOM 0 HA ALA A 156 33.360 -3.453 11.132 1.00 76.15 H new ATOM 0 HB1 ALA A 156 34.644 -4.813 9.641 1.00 76.79 H new ATOM 0 HB2 ALA A 156 35.346 -4.733 11.059 1.00 76.79 H new ATOM 0 HB3 ALA A 156 34.512 -6.019 10.658 1.00 76.79 H new ATOM 1000 N LEU A 157 31.879 -6.123 10.238 1.00 73.04 N ATOM 1001 CA LEU A 157 30.776 -6.694 9.469 1.00 71.38 C ATOM 1002 C LEU A 157 29.413 -6.148 9.912 1.00 70.32 C ATOM 1003 O LEU A 157 28.634 -5.649 9.094 1.00 69.45 O ATOM 1004 CB LEU A 157 30.807 -8.223 9.601 1.00 70.04 C ATOM 1005 CG LEU A 157 29.672 -9.035 8.971 1.00 69.73 C ATOM 1006 CD1 LEU A 157 29.657 -8.815 7.462 1.00 69.38 C ATOM 1007 CD2 LEU A 157 29.855 -10.509 9.307 1.00 68.41 C ATOM 0 H LEU A 157 32.370 -6.712 10.627 1.00 73.04 H new ATOM 0 HA LEU A 157 30.893 -6.437 8.541 1.00 71.38 H new ATOM 0 HB2 LEU A 157 31.641 -8.535 9.217 1.00 70.04 H new ATOM 0 HB3 LEU A 157 30.833 -8.437 10.547 1.00 70.04 H new ATOM 0 HG LEU A 157 28.820 -8.741 9.329 1.00 69.73 H new ATOM 0 HD11 LEU A 157 28.937 -9.331 7.067 1.00 69.38 H new ATOM 0 HD12 LEU A 157 29.521 -7.873 7.273 1.00 69.38 H new ATOM 0 HD13 LEU A 157 30.504 -9.101 7.085 1.00 69.38 H new ATOM 0 HD21 LEU A 157 29.136 -11.024 8.908 1.00 68.41 H new ATOM 0 HD22 LEU A 157 30.706 -10.818 8.958 1.00 68.41 H new ATOM 0 HD23 LEU A 157 29.840 -10.626 10.270 1.00 68.41 H new ATOM 1008 N ILE A 158 29.134 -6.234 11.209 1.00 69.04 N ATOM 1009 CA ILE A 158 27.866 -5.755 11.745 1.00 67.42 C ATOM 1010 C ILE A 158 27.632 -4.277 11.414 1.00 66.19 C ATOM 1011 O ILE A 158 26.498 -3.859 11.214 1.00 65.83 O ATOM 1012 CB ILE A 158 27.807 -5.965 13.273 1.00 66.72 C ATOM 1013 CG1 ILE A 158 26.355 -6.007 13.744 1.00 65.26 C ATOM 1014 CG2 ILE A 158 28.559 -4.844 13.982 1.00 66.42 C ATOM 1015 CD1 ILE A 158 25.680 -4.668 13.783 1.00 65.13 C ATOM 0 H ILE A 158 29.667 -6.567 11.796 1.00 69.04 H new ATOM 0 HA ILE A 158 27.162 -6.273 11.324 1.00 67.42 H new ATOM 0 HB ILE A 158 28.228 -6.812 13.490 1.00 66.72 H new ATOM 0 HG12 ILE A 158 25.853 -6.594 13.157 1.00 65.26 H new ATOM 0 HG13 ILE A 158 26.325 -6.399 14.631 1.00 65.26 H new ATOM 0 HG21 ILE A 158 28.518 -4.983 14.941 1.00 66.42 H new ATOM 0 HG22 ILE A 158 29.486 -4.844 13.695 1.00 66.42 H new ATOM 0 HG23 ILE A 158 28.153 -3.991 13.761 1.00 66.42 H new ATOM 0 HD11 ILE A 158 24.766 -4.775 14.090 1.00 65.13 H new ATOM 0 HD12 ILE A 158 26.158 -4.082 14.390 1.00 65.13 H new ATOM 0 HD13 ILE A 158 25.679 -4.280 12.894 1.00 65.13 H new ATOM 1016 N TRP A 159 28.704 -3.492 11.348 1.00 65.34 N ATOM 1017 CA TRP A 159 28.589 -2.067 11.030 1.00 64.61 C ATOM 1018 C TRP A 159 28.550 -1.832 9.525 1.00 64.31 C ATOM 1019 O TRP A 159 27.937 -0.874 9.046 1.00 63.53 O ATOM 1020 CB TRP A 159 29.754 -1.293 11.636 1.00 63.84 C ATOM 1021 CG TRP A 159 29.426 -0.659 12.939 1.00 62.70 C ATOM 1022 CD1 TRP A 159 29.950 -0.968 14.160 1.00 63.15 C ATOM 1023 CD2 TRP A 159 28.529 0.434 13.152 1.00 61.85 C ATOM 1024 NE1 TRP A 159 29.438 -0.128 15.121 1.00 63.62 N ATOM 1025 CE2 TRP A 159 28.564 0.744 14.525 1.00 62.06 C ATOM 1026 CE3 TRP A 159 27.700 1.185 12.313 1.00 61.44 C ATOM 1027 CZ2 TRP A 159 27.805 1.772 15.079 1.00 61.84 C ATOM 1028 CZ3 TRP A 159 26.944 2.208 12.864 1.00 60.18 C ATOM 1029 CH2 TRP A 159 27.004 2.492 14.233 1.00 60.88 C ATOM 0 H TRP A 159 29.509 -3.763 11.484 1.00 65.34 H new ATOM 0 HA TRP A 159 27.755 -1.750 11.411 1.00 64.61 H new ATOM 0 HB2 TRP A 159 30.505 -1.894 11.756 1.00 63.84 H new ATOM 0 HB3 TRP A 159 30.037 -0.607 11.012 1.00 63.84 H new ATOM 0 HD1 TRP A 159 30.564 -1.648 14.319 1.00 63.15 H new ATOM 0 HE1 TRP A 159 29.634 -0.147 15.958 1.00 63.62 H new ATOM 0 HE3 TRP A 159 27.657 1.002 11.402 1.00 61.44 H new ATOM 0 HZ2 TRP A 159 27.841 1.962 15.989 1.00 61.84 H new ATOM 0 HZ3 TRP A 159 26.388 2.713 12.315 1.00 60.18 H new ATOM 0 HH2 TRP A 159 26.488 3.186 14.576 1.00 60.88 H new ATOM 1030 N LYS A 160 29.229 -2.706 8.790 1.00 64.41 N ATOM 1031 CA LYS A 160 29.255 -2.642 7.336 1.00 63.91 C ATOM 1032 C LYS A 160 27.795 -2.782 6.907 1.00 63.18 C ATOM 1033 O LYS A 160 27.218 -1.870 6.306 1.00 62.46 O ATOM 1034 CB LYS A 160 30.088 -3.810 6.785 1.00 64.41 C ATOM 1035 CG LYS A 160 30.148 -3.910 5.262 1.00 65.51 C ATOM 1036 CD LYS A 160 31.020 -5.089 4.799 1.00 65.34 C ATOM 1037 CE LYS A 160 31.182 -5.113 3.270 1.00 65.74 C ATOM 1038 NZ LYS A 160 31.748 -3.838 2.713 1.00 63.80 N ATOM 0 H LYS A 160 29.688 -3.353 9.122 1.00 64.41 H new ATOM 0 HA LYS A 160 29.651 -1.820 7.006 1.00 63.91 H new ATOM 0 HB2 LYS A 160 30.993 -3.731 7.125 1.00 64.41 H new ATOM 0 HB3 LYS A 160 29.726 -4.639 7.134 1.00 64.41 H new ATOM 0 HG2 LYS A 160 29.250 -4.014 4.909 1.00 65.51 H new ATOM 0 HG3 LYS A 160 30.502 -3.084 4.898 1.00 65.51 H new ATOM 0 HD2 LYS A 160 31.894 -5.029 5.216 1.00 65.34 H new ATOM 0 HD3 LYS A 160 30.621 -5.922 5.095 1.00 65.34 H new ATOM 0 HE2 LYS A 160 31.761 -5.851 3.024 1.00 65.74 H new ATOM 0 HE3 LYS A 160 30.318 -5.282 2.862 1.00 65.74 H new ATOM 0 HZ1 LYS A 160 31.969 -3.959 1.859 1.00 63.80 H new ATOM 0 HZ2 LYS A 160 31.139 -3.192 2.773 1.00 63.80 H new ATOM 0 HZ3 LYS A 160 32.472 -3.607 3.176 1.00 63.80 H new ATOM 1039 N LEU A 161 27.208 -3.930 7.252 1.00 61.78 N ATOM 1040 CA LEU A 161 25.819 -4.237 6.942 1.00 59.70 C ATOM 1041 C LEU A 161 24.899 -3.096 7.364 1.00 60.21 C ATOM 1042 O LEU A 161 24.181 -2.530 6.537 1.00 59.65 O ATOM 1043 CB LEU A 161 25.400 -5.524 7.649 1.00 57.33 C ATOM 1044 CG LEU A 161 26.141 -6.794 7.227 1.00 56.70 C ATOM 1045 CD1 LEU A 161 25.646 -7.997 8.036 1.00 55.68 C ATOM 1046 CD2 LEU A 161 25.920 -7.023 5.742 1.00 55.59 C ATOM 0 H LEU A 161 27.614 -4.557 7.678 1.00 61.78 H new ATOM 0 HA LEU A 161 25.742 -4.354 5.982 1.00 59.70 H new ATOM 0 HB2 LEU A 161 25.522 -5.402 8.604 1.00 57.33 H new ATOM 0 HB3 LEU A 161 24.451 -5.660 7.499 1.00 57.33 H new ATOM 0 HG LEU A 161 27.090 -6.689 7.400 1.00 56.70 H new ATOM 0 HD11 LEU A 161 26.124 -8.793 7.757 1.00 55.68 H new ATOM 0 HD12 LEU A 161 25.803 -7.839 8.980 1.00 55.68 H new ATOM 0 HD13 LEU A 161 24.696 -8.121 7.883 1.00 55.68 H new ATOM 0 HD21 LEU A 161 26.387 -7.827 5.465 1.00 55.59 H new ATOM 0 HD22 LEU A 161 24.971 -7.124 5.568 1.00 55.59 H new ATOM 0 HD23 LEU A 161 26.261 -6.264 5.243 1.00 55.59 H new ATOM 1047 N VAL A 162 24.928 -2.754 8.647 1.00 59.88 N ATOM 1048 CA VAL A 162 24.088 -1.679 9.161 1.00 61.92 C ATOM 1049 C VAL A 162 24.131 -0.410 8.315 1.00 63.74 C ATOM 1050 O VAL A 162 23.127 0.293 8.185 1.00 63.06 O ATOM 1051 CB VAL A 162 24.472 -1.312 10.605 1.00 61.37 C ATOM 1052 CG1 VAL A 162 23.778 -0.020 11.026 1.00 59.96 C ATOM 1053 CG2 VAL A 162 24.070 -2.437 11.534 1.00 61.92 C ATOM 0 H VAL A 162 25.427 -3.132 9.237 1.00 59.88 H new ATOM 0 HA VAL A 162 23.185 -2.031 9.128 1.00 61.92 H new ATOM 0 HB VAL A 162 25.432 -1.178 10.653 1.00 61.37 H new ATOM 0 HG11 VAL A 162 24.028 0.200 11.937 1.00 59.96 H new ATOM 0 HG12 VAL A 162 24.047 0.700 10.434 1.00 59.96 H new ATOM 0 HG13 VAL A 162 22.816 -0.137 10.975 1.00 59.96 H new ATOM 0 HG21 VAL A 162 24.312 -2.207 12.445 1.00 61.92 H new ATOM 0 HG22 VAL A 162 23.111 -2.575 11.479 1.00 61.92 H new ATOM 0 HG23 VAL A 162 24.529 -3.251 11.274 1.00 61.92 H new ATOM 1054 N ASP A 163 25.292 -0.104 7.751 1.00 65.89 N ATOM 1055 CA ASP A 163 25.398 1.088 6.930 1.00 67.91 C ATOM 1056 C ASP A 163 24.714 0.894 5.581 1.00 68.59 C ATOM 1057 O ASP A 163 23.996 1.778 5.118 1.00 68.80 O ATOM 1058 CB ASP A 163 26.864 1.484 6.737 1.00 68.13 C ATOM 1059 CG ASP A 163 27.418 2.251 7.925 1.00 68.78 C ATOM 1060 OD1 ASP A 163 26.746 3.199 8.389 1.00 67.99 O ATOM 1061 OD2 ASP A 163 28.528 1.919 8.390 1.00 70.48 O ATOM 0 H ASP A 163 26.015 -0.563 7.829 1.00 65.89 H new ATOM 0 HA ASP A 163 24.943 1.808 7.394 1.00 67.91 H new ATOM 0 HB2 ASP A 163 27.396 0.686 6.594 1.00 68.13 H new ATOM 0 HB3 ASP A 163 26.947 2.027 5.937 1.00 68.13 H new ATOM 1062 N GLU A 164 24.924 -0.263 4.959 1.00 69.84 N ATOM 1063 CA GLU A 164 24.307 -0.545 3.662 1.00 70.85 C ATOM 1064 C GLU A 164 22.788 -0.508 3.815 1.00 71.86 C ATOM 1065 O GLU A 164 22.068 -0.052 2.923 1.00 72.39 O ATOM 1066 CB GLU A 164 24.741 -1.920 3.137 1.00 68.77 C ATOM 1067 CG GLU A 164 26.238 -2.179 3.243 1.00 67.37 C ATOM 1068 CD GLU A 164 26.681 -3.450 2.532 1.00 66.77 C ATOM 1069 OE1 GLU A 164 25.914 -4.446 2.531 1.00 65.26 O ATOM 1070 OE2 GLU A 164 27.810 -3.450 1.986 1.00 65.44 O ATOM 0 H GLU A 164 25.417 -0.896 5.268 1.00 69.84 H new ATOM 0 HA GLU A 164 24.594 0.127 3.024 1.00 70.85 H new ATOM 0 HB2 GLU A 164 24.267 -2.608 3.630 1.00 68.77 H new ATOM 0 HB3 GLU A 164 24.473 -2.001 2.208 1.00 68.77 H new ATOM 0 HG2 GLU A 164 26.718 -1.423 2.870 1.00 67.37 H new ATOM 0 HG3 GLU A 164 26.484 -2.237 4.179 1.00 67.37 H new ATOM 1071 N ALA A 165 22.306 -0.990 4.954 1.00 72.18 N ATOM 1072 CA ALA A 165 20.881 -0.996 5.218 1.00 72.80 C ATOM 1073 C ALA A 165 20.391 0.441 5.193 1.00 73.57 C ATOM 1074 O ALA A 165 19.232 0.701 4.876 1.00 73.72 O ATOM 1075 CB ALA A 165 20.602 -1.624 6.572 1.00 73.25 C ATOM 0 H ALA A 165 22.790 -1.317 5.585 1.00 72.18 H new ATOM 0 HA ALA A 165 20.418 -1.518 4.544 1.00 72.80 H new ATOM 0 HB1 ALA A 165 19.646 -1.623 6.739 1.00 73.25 H new ATOM 0 HB2 ALA A 165 20.930 -2.537 6.579 1.00 73.25 H new ATOM 0 HB3 ALA A 165 21.051 -1.114 7.264 1.00 73.25 H new ATOM 1076 N GLU A 166 21.282 1.367 5.540 1.00 74.86 N ATOM 1077 CA GLU A 166 20.962 2.795 5.555 1.00 76.49 C ATOM 1078 C GLU A 166 20.956 3.307 4.123 1.00 76.94 C ATOM 1079 O GLU A 166 19.967 3.874 3.655 1.00 77.36 O ATOM 1080 CB GLU A 166 22.005 3.574 6.364 1.00 77.09 C ATOM 1081 CG GLU A 166 21.553 4.017 7.750 1.00 78.21 C ATOM 1082 CD GLU A 166 22.700 4.607 8.567 1.00 79.24 C ATOM 1083 OE1 GLU A 166 22.445 5.109 9.687 1.00 77.83 O ATOM 1084 OE2 GLU A 166 23.859 4.559 8.087 1.00 79.73 O ATOM 0 H GLU A 166 22.090 1.186 5.774 1.00 74.86 H new ATOM 0 HA GLU A 166 20.093 2.922 5.967 1.00 76.49 H new ATOM 0 HB2 GLU A 166 22.797 3.023 6.459 1.00 77.09 H new ATOM 0 HB3 GLU A 166 22.265 4.360 5.858 1.00 77.09 H new ATOM 0 HG2 GLU A 166 20.847 4.676 7.663 1.00 78.21 H new ATOM 0 HG3 GLU A 166 21.177 3.259 8.224 1.00 78.21 H new ATOM 1085 N GLU A 167 22.074 3.100 3.437 1.00 77.18 N ATOM 1086 CA GLU A 167 22.226 3.516 2.052 1.00 77.48 C ATOM 1087 C GLU A 167 21.033 3.027 1.220 1.00 77.33 C ATOM 1088 O GLU A 167 20.775 3.528 0.129 1.00 78.41 O ATOM 1089 CB GLU A 167 23.539 2.950 1.496 1.00 78.03 C ATOM 1090 CG GLU A 167 23.784 3.164 0.001 1.00 79.25 C ATOM 1091 CD GLU A 167 23.885 4.626 -0.395 1.00 80.02 C ATOM 1092 OE1 GLU A 167 24.426 5.432 0.394 1.00 81.20 O ATOM 1093 OE2 GLU A 167 23.437 4.965 -1.509 1.00 80.06 O ATOM 0 H GLU A 167 22.768 2.712 3.765 1.00 77.18 H new ATOM 0 HA GLU A 167 22.252 4.484 2.004 1.00 77.48 H new ATOM 0 HB2 GLU A 167 24.275 3.348 1.986 1.00 78.03 H new ATOM 0 HB3 GLU A 167 23.561 1.997 1.676 1.00 78.03 H new ATOM 0 HG2 GLU A 167 24.603 2.711 -0.253 1.00 79.25 H new ATOM 0 HG3 GLU A 167 23.064 2.750 -0.500 1.00 79.25 H new ATOM 1094 N TRP A 168 20.297 2.052 1.738 1.00 75.48 N ATOM 1095 CA TRP A 168 19.150 1.532 1.019 1.00 74.29 C ATOM 1096 C TRP A 168 17.880 2.284 1.414 1.00 73.09 C ATOM 1097 O TRP A 168 17.180 2.828 0.569 1.00 73.18 O ATOM 1098 CB TRP A 168 18.996 0.048 1.318 1.00 75.27 C ATOM 1099 CG TRP A 168 17.970 -0.631 0.488 1.00 77.61 C ATOM 1100 CD1 TRP A 168 18.181 -1.368 -0.642 1.00 78.63 C ATOM 1101 CD2 TRP A 168 16.563 -0.681 0.744 1.00 78.97 C ATOM 1102 NE1 TRP A 168 16.991 -1.887 -1.101 1.00 78.85 N ATOM 1103 CE2 TRP A 168 15.983 -1.481 -0.267 1.00 79.40 C ATOM 1104 CE3 TRP A 168 15.737 -0.133 1.734 1.00 79.36 C ATOM 1105 CZ2 TRP A 168 14.611 -1.746 -0.316 1.00 79.60 C ATOM 1106 CZ3 TRP A 168 14.371 -0.396 1.685 1.00 80.17 C ATOM 1107 CH2 TRP A 168 13.823 -1.199 0.666 1.00 80.37 C ATOM 0 H TRP A 168 20.446 1.682 2.500 1.00 75.48 H new ATOM 0 HA TRP A 168 19.292 1.657 0.068 1.00 74.29 H new ATOM 0 HB2 TRP A 168 19.851 -0.390 1.182 1.00 75.27 H new ATOM 0 HB3 TRP A 168 18.766 -0.062 2.254 1.00 75.27 H new ATOM 0 HD1 TRP A 168 19.009 -1.500 -1.044 1.00 78.63 H new ATOM 0 HE1 TRP A 168 16.896 -2.384 -1.796 1.00 78.85 H new ATOM 0 HE3 TRP A 168 16.094 0.396 2.410 1.00 79.36 H new ATOM 0 HZ2 TRP A 168 14.246 -2.273 -0.989 1.00 79.60 H new ATOM 0 HZ3 TRP A 168 13.812 -0.036 2.335 1.00 80.17 H new ATOM 0 HH2 TRP A 168 12.907 -1.362 0.658 1.00 80.37 H new ATOM 1108 N LEU A 169 17.595 2.313 2.708 1.00 72.31 N ATOM 1109 CA LEU A 169 16.417 2.990 3.244 1.00 71.33 C ATOM 1110 C LEU A 169 16.109 4.360 2.635 1.00 70.31 C ATOM 1111 O LEU A 169 14.940 4.695 2.405 1.00 70.03 O ATOM 1112 CB LEU A 169 16.563 3.148 4.761 1.00 71.51 C ATOM 1113 CG LEU A 169 15.716 2.229 5.638 1.00 71.50 C ATOM 1114 CD1 LEU A 169 15.957 2.524 7.112 1.00 70.54 C ATOM 1115 CD2 LEU A 169 14.252 2.443 5.282 1.00 72.04 C ATOM 0 H LEU A 169 18.083 1.937 3.308 1.00 72.31 H new ATOM 0 HA LEU A 169 15.670 2.420 3.004 1.00 71.33 H new ATOM 0 HB2 LEU A 169 17.495 3.009 4.990 1.00 71.51 H new ATOM 0 HB3 LEU A 169 16.349 4.066 4.991 1.00 71.51 H new ATOM 0 HG LEU A 169 15.962 1.304 5.480 1.00 71.50 H new ATOM 0 HD11 LEU A 169 15.412 1.932 7.654 1.00 70.54 H new ATOM 0 HD12 LEU A 169 16.893 2.383 7.322 1.00 70.54 H new ATOM 0 HD13 LEU A 169 15.719 3.445 7.301 1.00 70.54 H new ATOM 0 HD21 LEU A 169 13.698 1.866 5.830 1.00 72.04 H new ATOM 0 HD22 LEU A 169 14.012 3.369 5.442 1.00 72.04 H new ATOM 0 HD23 LEU A 169 14.112 2.230 4.346 1.00 72.04 H new ATOM 1116 N ASN A 170 17.153 5.149 2.386 1.00 68.39 N ATOM 1117 CA ASN A 170 16.988 6.489 1.833 1.00 66.67 C ATOM 1118 C ASN A 170 17.364 6.618 0.353 1.00 65.34 C ATOM 1119 O ASN A 170 17.705 7.700 -0.129 1.00 65.30 O ATOM 1120 CB ASN A 170 17.774 7.488 2.680 1.00 67.18 C ATOM 1121 CG ASN A 170 19.168 7.004 2.991 1.00 67.65 C ATOM 1122 OD1 ASN A 170 19.985 6.816 2.091 1.00 68.15 O ATOM 1123 ND2 ASN A 170 19.449 6.791 4.273 1.00 67.81 N ATOM 0 H ASN A 170 17.970 4.924 2.532 1.00 68.39 H new ATOM 0 HA ASN A 170 16.039 6.685 1.868 1.00 66.67 H new ATOM 0 HB2 ASN A 170 17.825 8.336 2.212 1.00 67.18 H new ATOM 0 HB3 ASN A 170 17.298 7.651 3.509 1.00 67.18 H new ATOM 0 HD21 ASN A 170 20.229 6.510 4.501 1.00 67.81 H new ATOM 0 HD22 ASN A 170 18.851 6.934 4.874 1.00 67.81 H new ATOM 1124 N THR A 171 17.300 5.498 -0.358 1.00 63.64 N ATOM 1125 CA THR A 171 17.565 5.471 -1.791 1.00 61.15 C ATOM 1126 C THR A 171 16.524 4.556 -2.407 1.00 60.29 C ATOM 1127 O THR A 171 16.700 4.048 -3.513 1.00 62.11 O ATOM 1128 CB THR A 171 18.969 4.927 -2.137 1.00 61.06 C ATOM 1129 OG1 THR A 171 19.046 3.524 -1.849 1.00 57.87 O ATOM 1130 CG2 THR A 171 20.024 5.686 -1.354 1.00 62.10 C ATOM 0 H THR A 171 17.101 4.731 -0.023 1.00 63.64 H new ATOM 0 HA THR A 171 17.526 6.378 -2.133 1.00 61.15 H new ATOM 0 HB THR A 171 19.130 5.054 -3.085 1.00 61.06 H new ATOM 0 HG1 THR A 171 19.704 3.376 -1.348 1.00 57.87 H new ATOM 0 HG21 THR A 171 20.903 5.340 -1.575 1.00 62.10 H new ATOM 0 HG22 THR A 171 19.981 6.628 -1.582 1.00 62.10 H new ATOM 0 HG23 THR A 171 19.864 5.576 -0.404 1.00 62.10 H new ATOM 1131 N HIS A 172 15.440 4.340 -1.672 1.00 58.05 N ATOM 1132 CA HIS A 172 14.360 3.488 -2.139 1.00 56.23 C ATOM 1133 C HIS A 172 13.001 3.941 -1.636 1.00 55.74 C ATOM 1134 O HIS A 172 12.886 4.762 -0.719 1.00 54.38 O ATOM 1135 CB HIS A 172 14.574 2.041 -1.704 1.00 56.36 C ATOM 1136 CG HIS A 172 15.635 1.324 -2.468 1.00 56.94 C ATOM 1137 ND1 HIS A 172 16.969 1.673 -2.403 1.00 57.44 N ATOM 1138 CD2 HIS A 172 15.570 0.259 -3.302 1.00 57.96 C ATOM 1139 CE1 HIS A 172 17.673 0.855 -3.160 1.00 58.92 C ATOM 1140 NE2 HIS A 172 16.848 -0.016 -3.719 1.00 57.97 N ATOM 0 H HIS A 172 15.312 4.682 -0.893 1.00 58.05 H new ATOM 0 HA HIS A 172 14.372 3.553 -3.107 1.00 56.23 H new ATOM 0 HB2 HIS A 172 14.803 2.028 -0.762 1.00 56.36 H new ATOM 0 HB3 HIS A 172 13.738 1.558 -1.800 1.00 56.36 H new ATOM 0 HD1 HIS A 172 17.291 2.323 -1.941 1.00 57.44 H new ATOM 0 HD2 HIS A 172 14.800 -0.202 -3.547 1.00 57.96 H new ATOM 0 HE1 HIS A 172 18.595 0.885 -3.281 1.00 58.92 H new ATOM 1141 N THR A 173 11.976 3.375 -2.265 1.00 55.45 N ATOM 1142 CA THR A 173 10.584 3.644 -1.949 1.00 54.98 C ATOM 1143 C THR A 173 9.951 2.339 -1.501 1.00 53.57 C ATOM 1144 O THR A 173 10.454 1.252 -1.804 1.00 53.13 O ATOM 1145 CB THR A 173 9.814 4.149 -3.180 1.00 57.06 C ATOM 1146 OG1 THR A 173 10.082 3.289 -4.302 1.00 57.98 O ATOM 1147 CG2 THR A 173 10.223 5.581 -3.513 1.00 58.33 C ATOM 0 H THR A 173 12.077 2.809 -2.904 1.00 55.45 H new ATOM 0 HA THR A 173 10.545 4.326 -1.260 1.00 54.98 H new ATOM 0 HB THR A 173 8.864 4.137 -2.984 1.00 57.06 H new ATOM 0 HG1 THR A 173 9.660 3.565 -4.974 1.00 57.98 H new ATOM 0 HG21 THR A 173 9.730 5.886 -4.291 1.00 58.33 H new ATOM 0 HG22 THR A 173 10.025 6.158 -2.759 1.00 58.33 H new ATOM 0 HG23 THR A 173 11.174 5.611 -3.702 1.00 58.33 H new ATOM 1148 N TYR A 174 8.843 2.454 -0.782 1.00 51.52 N ATOM 1149 CA TYR A 174 8.135 1.292 -0.280 1.00 49.23 C ATOM 1150 C TYR A 174 6.996 1.793 0.580 1.00 46.59 C ATOM 1151 O TYR A 174 7.144 2.797 1.268 1.00 44.40 O ATOM 1152 CB TYR A 174 9.085 0.413 0.559 1.00 52.59 C ATOM 1153 CG TYR A 174 9.696 1.091 1.789 1.00 54.96 C ATOM 1154 CD1 TYR A 174 8.951 1.279 2.963 1.00 55.31 C ATOM 1155 CD2 TYR A 174 11.011 1.569 1.767 1.00 55.98 C ATOM 1156 CE1 TYR A 174 9.500 1.932 4.081 1.00 56.19 C ATOM 1157 CE2 TYR A 174 11.569 2.222 2.880 1.00 56.87 C ATOM 1158 CZ TYR A 174 10.809 2.405 4.029 1.00 56.72 C ATOM 1159 OH TYR A 174 11.347 3.087 5.107 1.00 57.34 O ATOM 0 H TYR A 174 8.483 3.206 -0.573 1.00 51.52 H new ATOM 0 HA TYR A 174 7.799 0.754 -1.014 1.00 49.23 H new ATOM 0 HB2 TYR A 174 8.599 -0.374 0.851 1.00 52.59 H new ATOM 0 HB3 TYR A 174 9.806 0.106 -0.013 1.00 52.59 H new ATOM 0 HD1 TYR A 174 8.076 0.965 3.003 1.00 55.31 H new ATOM 0 HD2 TYR A 174 11.526 1.452 1.001 1.00 55.98 H new ATOM 0 HE1 TYR A 174 8.992 2.047 4.851 1.00 56.19 H new ATOM 0 HE2 TYR A 174 12.446 2.531 2.847 1.00 56.87 H new ATOM 0 HH TYR A 174 10.994 2.811 5.818 1.00 57.34 H new ATOM 1160 N GLU A 175 5.854 1.118 0.524 1.00 45.50 N ATOM 1161 CA GLU A 175 4.726 1.512 1.356 1.00 45.27 C ATOM 1162 C GLU A 175 4.517 0.417 2.403 1.00 42.60 C ATOM 1163 O GLU A 175 3.651 0.508 3.278 1.00 41.96 O ATOM 1164 CB GLU A 175 3.456 1.762 0.519 1.00 47.64 C ATOM 1165 CG GLU A 175 3.424 1.146 -0.875 1.00 55.77 C ATOM 1166 CD GLU A 175 4.535 1.661 -1.799 1.00 59.74 C ATOM 1167 OE1 GLU A 175 4.923 2.849 -1.672 1.00 60.46 O ATOM 1168 OE2 GLU A 175 5.008 0.873 -2.660 1.00 61.28 O ATOM 0 H GLU A 175 5.713 0.437 0.018 1.00 45.50 H new ATOM 0 HA GLU A 175 4.916 2.355 1.796 1.00 45.27 H new ATOM 0 HB2 GLU A 175 2.694 1.426 1.016 1.00 47.64 H new ATOM 0 HB3 GLU A 175 3.336 2.720 0.430 1.00 47.64 H new ATOM 0 HG2 GLU A 175 3.500 0.182 -0.796 1.00 55.77 H new ATOM 0 HG3 GLU A 175 2.563 1.331 -1.282 1.00 55.77 H new ATOM 1169 N THR A 176 5.364 -0.603 2.312 1.00 39.79 N ATOM 1170 CA THR A 176 5.357 -1.735 3.226 1.00 36.93 C ATOM 1171 C THR A 176 5.105 -1.287 4.643 1.00 36.64 C ATOM 1172 O THR A 176 5.905 -0.564 5.221 1.00 36.37 O ATOM 1173 CB THR A 176 6.711 -2.427 3.272 1.00 35.03 C ATOM 1174 OG1 THR A 176 7.172 -2.701 1.946 1.00 35.95 O ATOM 1175 CG2 THR A 176 6.600 -3.708 4.046 1.00 34.19 C ATOM 0 H THR A 176 5.970 -0.656 1.704 1.00 39.79 H new ATOM 0 HA THR A 176 4.662 -2.328 2.899 1.00 36.93 H new ATOM 0 HB THR A 176 7.348 -1.841 3.710 1.00 35.03 H new ATOM 0 HG1 THR A 176 7.920 -3.081 1.982 1.00 35.95 H new ATOM 0 HG21 THR A 176 7.465 -4.146 4.073 1.00 34.19 H new ATOM 0 HG22 THR A 176 6.307 -3.515 4.950 1.00 34.19 H new ATOM 0 HG23 THR A 176 5.956 -4.292 3.615 1.00 34.19 H new ATOM 1176 N PRO A 177 3.988 -1.705 5.232 1.00 36.90 N ATOM 1177 CA PRO A 177 3.764 -1.270 6.613 1.00 36.09 C ATOM 1178 C PRO A 177 4.735 -1.989 7.566 1.00 36.10 C ATOM 1179 O PRO A 177 5.069 -3.167 7.369 1.00 35.53 O ATOM 1180 CB PRO A 177 2.316 -1.681 6.876 1.00 35.55 C ATOM 1181 CG PRO A 177 1.696 -1.641 5.493 1.00 37.20 C ATOM 1182 CD PRO A 177 2.766 -2.272 4.643 1.00 36.91 C ATOM 0 HA PRO A 177 3.914 -0.322 6.752 1.00 36.09 H new ATOM 0 HB2 PRO A 177 2.259 -2.566 7.270 1.00 35.55 H new ATOM 0 HB3 PRO A 177 1.874 -1.070 7.486 1.00 35.55 H new ATOM 0 HG2 PRO A 177 0.864 -2.138 5.455 1.00 37.20 H new ATOM 0 HG3 PRO A 177 1.498 -0.734 5.211 1.00 37.20 H new ATOM 0 HD2 PRO A 177 2.751 -3.240 4.698 1.00 36.91 H new ATOM 0 HD3 PRO A 177 2.671 -2.039 3.706 1.00 36.91 H new ATOM 1183 N ILE A 178 5.212 -1.277 8.580 1.00 33.96 N ATOM 1184 CA ILE A 178 6.081 -1.902 9.565 1.00 31.69 C ATOM 1185 C ILE A 178 5.318 -1.777 10.881 1.00 29.95 C ATOM 1186 O ILE A 178 5.154 -0.684 11.422 1.00 29.31 O ATOM 1187 CB ILE A 178 7.434 -1.212 9.625 1.00 31.56 C ATOM 1188 CG1 ILE A 178 8.058 -1.225 8.223 1.00 30.15 C ATOM 1189 CG2 ILE A 178 8.337 -1.943 10.632 1.00 29.27 C ATOM 1190 CD1 ILE A 178 9.247 -0.294 8.053 1.00 33.47 C ATOM 0 H ILE A 178 5.047 -0.444 8.714 1.00 33.96 H new ATOM 0 HA ILE A 178 6.279 -2.827 9.350 1.00 31.69 H new ATOM 0 HB ILE A 178 7.332 -0.293 9.917 1.00 31.56 H new ATOM 0 HG12 ILE A 178 8.338 -2.130 8.015 1.00 30.15 H new ATOM 0 HG13 ILE A 178 7.377 -0.983 7.576 1.00 30.15 H new ATOM 0 HG21 ILE A 178 9.201 -1.503 10.671 1.00 29.27 H new ATOM 0 HG22 ILE A 178 7.925 -1.924 11.510 1.00 29.27 H new ATOM 0 HG23 ILE A 178 8.456 -2.864 10.351 1.00 29.27 H new ATOM 0 HD11 ILE A 178 9.583 -0.360 7.145 1.00 33.47 H new ATOM 0 HD12 ILE A 178 8.971 0.619 8.230 1.00 33.47 H new ATOM 0 HD13 ILE A 178 9.947 -0.546 8.675 1.00 33.47 H new ATOM 1191 N LEU A 179 4.840 -2.916 11.368 1.00 27.14 N ATOM 1192 CA LEU A 179 4.016 -2.971 12.567 1.00 27.06 C ATOM 1193 C LEU A 179 4.615 -3.612 13.808 1.00 27.33 C ATOM 1194 O LEU A 179 5.393 -4.563 13.723 1.00 27.37 O ATOM 1195 CB LEU A 179 2.719 -3.708 12.240 1.00 24.83 C ATOM 1196 CG LEU A 179 2.189 -3.350 10.859 1.00 23.75 C ATOM 1197 CD1 LEU A 179 0.976 -4.201 10.515 1.00 21.21 C ATOM 1198 CD2 LEU A 179 1.876 -1.882 10.839 1.00 19.46 C ATOM 0 H LEU A 179 4.986 -3.684 11.009 1.00 27.14 H new ATOM 0 HA LEU A 179 3.897 -2.038 12.805 1.00 27.06 H new ATOM 0 HB2 LEU A 179 2.871 -4.665 12.289 1.00 24.83 H new ATOM 0 HB3 LEU A 179 2.049 -3.493 12.908 1.00 24.83 H new ATOM 0 HG LEU A 179 2.857 -3.536 10.181 1.00 23.75 H new ATOM 0 HD11 LEU A 179 0.651 -3.960 9.633 1.00 21.21 H new ATOM 0 HD12 LEU A 179 1.225 -5.138 10.523 1.00 21.21 H new ATOM 0 HD13 LEU A 179 0.277 -4.048 11.169 1.00 21.21 H new ATOM 0 HD21 LEU A 179 1.536 -1.635 9.965 1.00 19.46 H new ATOM 0 HD22 LEU A 179 1.207 -1.684 11.513 1.00 19.46 H new ATOM 0 HD23 LEU A 179 2.682 -1.376 11.027 1.00 19.46 H new ATOM 1199 N LYS A 180 4.205 -3.098 14.965 1.00 27.11 N ATOM 1200 CA LYS A 180 4.666 -3.614 16.239 1.00 27.39 C ATOM 1201 C LYS A 180 3.898 -4.881 16.534 1.00 27.90 C ATOM 1202 O LYS A 180 2.679 -4.905 16.426 1.00 28.46 O ATOM 1203 CB LYS A 180 4.414 -2.590 17.367 1.00 27.45 C ATOM 1204 CG LYS A 180 4.819 -3.041 18.791 1.00 26.21 C ATOM 1205 CD LYS A 180 6.338 -3.230 18.949 1.00 29.56 C ATOM 1206 CE LYS A 180 6.760 -3.592 20.387 1.00 30.42 C ATOM 1207 NZ LYS A 180 6.329 -4.970 20.810 1.00 31.76 N ATOM 0 H LYS A 180 3.653 -2.442 15.028 1.00 27.11 H new ATOM 0 HA LYS A 180 5.619 -3.788 16.194 1.00 27.39 H new ATOM 0 HB2 LYS A 180 4.896 -1.776 17.155 1.00 27.45 H new ATOM 0 HB3 LYS A 180 3.470 -2.367 17.373 1.00 27.45 H new ATOM 0 HG2 LYS A 180 4.511 -2.383 19.434 1.00 26.21 H new ATOM 0 HG3 LYS A 180 4.370 -3.875 19.001 1.00 26.21 H new ATOM 0 HD2 LYS A 180 6.635 -3.929 18.346 1.00 29.56 H new ATOM 0 HD3 LYS A 180 6.789 -2.414 18.682 1.00 29.56 H new ATOM 0 HE2 LYS A 180 7.725 -3.526 20.459 1.00 30.42 H new ATOM 0 HE3 LYS A 180 6.384 -2.941 21.000 1.00 30.42 H new ATOM 0 HZ1 LYS A 180 6.752 -5.197 21.560 1.00 31.76 H new ATOM 0 HZ2 LYS A 180 5.450 -4.976 20.952 1.00 31.76 H new ATOM 0 HZ3 LYS A 180 6.529 -5.554 20.169 1.00 31.76 H new ATOM 1208 N TRP A 181 4.617 -5.934 16.888 1.00 30.82 N ATOM 1209 CA TRP A 181 3.993 -7.191 17.249 1.00 35.37 C ATOM 1210 C TRP A 181 3.661 -7.095 18.748 1.00 37.90 C ATOM 1211 O TRP A 181 4.542 -6.887 19.577 1.00 38.45 O ATOM 1212 CB TRP A 181 4.953 -8.344 16.958 1.00 38.17 C ATOM 1213 CG TRP A 181 4.461 -9.684 17.410 1.00 42.62 C ATOM 1214 CD1 TRP A 181 4.757 -10.304 18.582 1.00 42.92 C ATOM 1215 CD2 TRP A 181 3.562 -10.562 16.707 1.00 45.59 C ATOM 1216 NE1 TRP A 181 4.104 -11.511 18.661 1.00 44.93 N ATOM 1217 CE2 TRP A 181 3.360 -11.695 17.521 1.00 45.97 C ATOM 1218 CE3 TRP A 181 2.903 -10.502 15.465 1.00 46.89 C ATOM 1219 CZ2 TRP A 181 2.530 -12.761 17.141 1.00 46.91 C ATOM 1220 CZ3 TRP A 181 2.075 -11.566 15.086 1.00 46.12 C ATOM 1221 CH2 TRP A 181 1.899 -12.676 15.924 1.00 46.10 C ATOM 0 H TRP A 181 5.476 -5.939 16.925 1.00 30.82 H new ATOM 0 HA TRP A 181 3.186 -7.359 16.737 1.00 35.37 H new ATOM 0 HB2 TRP A 181 5.121 -8.378 16.003 1.00 38.17 H new ATOM 0 HB3 TRP A 181 5.802 -8.161 17.389 1.00 38.17 H new ATOM 0 HD1 TRP A 181 5.321 -9.961 19.237 1.00 42.92 H new ATOM 0 HE1 TRP A 181 4.153 -12.063 19.319 1.00 44.93 H new ATOM 0 HE3 TRP A 181 3.015 -9.768 14.905 1.00 46.89 H new ATOM 0 HZ2 TRP A 181 2.411 -13.499 17.694 1.00 46.91 H new ATOM 0 HZ3 TRP A 181 1.636 -11.536 14.267 1.00 46.12 H new ATOM 0 HH2 TRP A 181 1.343 -13.370 15.650 1.00 46.10 H new ATOM 1222 N GLN A 182 2.378 -7.218 19.074 1.00 41.11 N ATOM 1223 CA GLN A 182 1.886 -7.129 20.451 1.00 44.11 C ATOM 1224 C GLN A 182 2.228 -8.345 21.314 1.00 44.38 C ATOM 1225 O GLN A 182 1.323 -9.054 21.765 1.00 43.29 O ATOM 1226 CB GLN A 182 0.358 -6.958 20.457 1.00 48.18 C ATOM 1227 CG GLN A 182 -0.193 -5.762 19.666 1.00 52.17 C ATOM 1228 CD GLN A 182 0.249 -4.425 20.224 1.00 54.84 C ATOM 1229 OE1 GLN A 182 -0.005 -4.099 21.389 1.00 57.01 O ATOM 1230 NE2 GLN A 182 0.917 -3.636 19.391 1.00 57.03 N ATOM 0 H GLN A 182 1.758 -7.358 18.495 1.00 41.11 H new ATOM 0 HA GLN A 182 2.335 -6.360 20.835 1.00 44.11 H new ATOM 0 HB2 GLN A 182 -0.041 -7.768 20.102 1.00 48.18 H new ATOM 0 HB3 GLN A 182 0.064 -6.876 21.378 1.00 48.18 H new ATOM 0 HG2 GLN A 182 0.095 -5.832 18.742 1.00 52.17 H new ATOM 0 HG3 GLN A 182 -1.162 -5.801 19.665 1.00 52.17 H new ATOM 0 HE21 GLN A 182 1.076 -3.896 18.587 1.00 57.03 H new ATOM 0 HE22 GLN A 182 1.191 -2.865 19.656 1.00 57.03 H new ATOM 1231 N THR A 183 3.517 -8.576 21.558 1.00 44.47 N ATOM 1232 CA THR A 183 3.966 -9.713 22.367 1.00 45.17 C ATOM 1233 C THR A 183 3.191 -9.923 23.678 1.00 47.45 C ATOM 1234 O THR A 183 2.957 -11.062 24.100 1.00 47.83 O ATOM 1235 CB THR A 183 5.466 -9.590 22.721 1.00 42.72 C ATOM 1236 OG1 THR A 183 6.260 -9.942 21.587 1.00 39.13 O ATOM 1237 CG2 THR A 183 5.821 -10.514 23.866 1.00 43.31 C ATOM 0 H THR A 183 4.155 -8.081 21.261 1.00 44.47 H new ATOM 0 HA THR A 183 3.795 -10.482 21.800 1.00 45.17 H new ATOM 0 HB THR A 183 5.642 -8.673 22.982 1.00 42.72 H new ATOM 0 HG1 THR A 183 6.814 -9.330 21.432 1.00 39.13 H new ATOM 0 HG21 THR A 183 6.764 -10.424 24.074 1.00 43.31 H new ATOM 0 HG22 THR A 183 5.294 -10.280 24.646 1.00 43.31 H new ATOM 0 HG23 THR A 183 5.633 -11.431 23.612 1.00 43.31 H new ATOM 1238 N ASP A 184 2.808 -8.829 24.329 1.00 49.51 N ATOM 1239 CA ASP A 184 2.086 -8.930 25.588 1.00 50.50 C ATOM 1240 C ASP A 184 0.709 -9.530 25.368 1.00 50.21 C ATOM 1241 O ASP A 184 0.168 -10.198 26.246 1.00 51.30 O ATOM 1242 CB ASP A 184 1.991 -7.554 26.274 1.00 51.54 C ATOM 1243 CG ASP A 184 1.046 -6.589 25.566 1.00 54.72 C ATOM 1244 OD1 ASP A 184 1.039 -6.530 24.314 1.00 56.81 O ATOM 1245 OD2 ASP A 184 0.316 -5.864 26.277 1.00 55.14 O ATOM 0 H ASP A 184 2.956 -8.026 24.060 1.00 49.51 H new ATOM 0 HA ASP A 184 2.579 -9.522 26.177 1.00 50.50 H new ATOM 0 HB2 ASP A 184 1.692 -7.676 27.189 1.00 51.54 H new ATOM 0 HB3 ASP A 184 2.876 -7.158 26.315 1.00 51.54 H new ATOM 1246 N LYS A 185 0.153 -9.326 24.182 1.00 49.62 N ATOM 1247 CA LYS A 185 -1.168 -9.867 23.891 1.00 49.81 C ATOM 1248 C LYS A 185 -1.165 -11.111 22.994 1.00 48.44 C ATOM 1249 O LYS A 185 -2.028 -11.965 23.150 1.00 49.24 O ATOM 1250 CB LYS A 185 -2.050 -8.803 23.237 1.00 50.33 C ATOM 1251 CG LYS A 185 -2.037 -7.443 23.906 1.00 50.68 C ATOM 1252 CD LYS A 185 -2.812 -6.473 23.039 1.00 51.07 C ATOM 1253 CE LYS A 185 -2.488 -5.032 23.346 1.00 52.85 C ATOM 1254 NZ LYS A 185 -3.119 -4.150 22.318 1.00 55.12 N ATOM 0 H LYS A 185 0.516 -8.884 23.540 1.00 49.62 H new ATOM 0 HA LYS A 185 -1.520 -10.139 24.753 1.00 49.81 H new ATOM 0 HB2 LYS A 185 -1.770 -8.695 22.315 1.00 50.33 H new ATOM 0 HB3 LYS A 185 -2.964 -9.129 23.219 1.00 50.33 H new ATOM 0 HG2 LYS A 185 -2.435 -7.498 24.789 1.00 50.68 H new ATOM 0 HG3 LYS A 185 -1.125 -7.134 24.025 1.00 50.68 H new ATOM 0 HD2 LYS A 185 -2.618 -6.653 22.106 1.00 51.07 H new ATOM 0 HD3 LYS A 185 -3.762 -6.621 23.164 1.00 51.07 H new ATOM 0 HE2 LYS A 185 -2.813 -4.799 24.230 1.00 52.85 H new ATOM 0 HE3 LYS A 185 -1.527 -4.901 23.353 1.00 52.85 H new ATOM 0 HZ1 LYS A 185 -2.928 -3.300 22.499 1.00 55.12 H new ATOM 0 HZ2 LYS A 185 -2.804 -4.360 21.513 1.00 55.12 H new ATOM 0 HZ3 LYS A 185 -4.002 -4.264 22.330 1.00 55.12 H new ATOM 1255 N TRP A 186 -0.207 -11.226 22.072 1.00 46.44 N ATOM 1256 CA TRP A 186 -0.184 -12.374 21.165 1.00 43.50 C ATOM 1257 C TRP A 186 0.939 -13.392 21.350 1.00 42.61 C ATOM 1258 O TRP A 186 1.070 -14.307 20.547 1.00 42.03 O ATOM 1259 CB TRP A 186 -0.156 -11.900 19.711 1.00 43.08 C ATOM 1260 CG TRP A 186 -1.034 -10.724 19.421 1.00 44.80 C ATOM 1261 CD1 TRP A 186 -2.267 -10.456 19.954 1.00 45.30 C ATOM 1262 CD2 TRP A 186 -0.781 -9.691 18.459 1.00 45.14 C ATOM 1263 NE1 TRP A 186 -2.799 -9.323 19.376 1.00 45.67 N ATOM 1264 CE2 TRP A 186 -1.909 -8.837 18.455 1.00 44.84 C ATOM 1265 CE3 TRP A 186 0.284 -9.409 17.595 1.00 44.58 C ATOM 1266 CZ2 TRP A 186 -1.995 -7.719 17.622 1.00 45.22 C ATOM 1267 CZ3 TRP A 186 0.193 -8.293 16.764 1.00 44.94 C ATOM 1268 CH2 TRP A 186 -0.940 -7.465 16.785 1.00 44.73 C ATOM 0 H TRP A 186 0.429 -10.659 21.956 1.00 46.44 H new ATOM 0 HA TRP A 186 -0.999 -12.846 21.396 1.00 43.50 H new ATOM 0 HB2 TRP A 186 0.757 -11.673 19.475 1.00 43.08 H new ATOM 0 HB3 TRP A 186 -0.422 -12.636 19.138 1.00 43.08 H new ATOM 0 HD1 TRP A 186 -2.685 -10.965 20.611 1.00 45.30 H new ATOM 0 HE1 TRP A 186 -3.564 -8.978 19.563 1.00 45.67 H new ATOM 0 HE3 TRP A 186 1.037 -9.955 17.576 1.00 44.58 H new ATOM 0 HZ2 TRP A 186 -2.743 -7.166 17.635 1.00 45.22 H new ATOM 0 HZ3 TRP A 186 0.894 -8.094 16.187 1.00 44.94 H new ATOM 0 HH2 TRP A 186 -0.976 -6.728 16.219 1.00 44.73 H new ATOM 1269 N GLY A 187 1.752 -13.246 22.386 1.00 42.31 N ATOM 1270 CA GLY A 187 2.832 -14.196 22.590 1.00 42.98 C ATOM 1271 C GLY A 187 4.004 -13.924 21.664 1.00 44.65 C ATOM 1272 O GLY A 187 3.905 -13.074 20.783 1.00 45.24 O ATOM 0 H GLY A 187 1.698 -12.618 22.971 1.00 42.31 H new ATOM 0 HA2 GLY A 187 3.131 -14.153 23.512 1.00 42.98 H new ATOM 0 HA3 GLY A 187 2.504 -15.096 22.440 1.00 42.98 H new ATOM 1273 N GLU A 188 5.108 -14.645 21.858 1.00 45.35 N ATOM 1274 CA GLU A 188 6.315 -14.472 21.054 1.00 46.64 C ATOM 1275 C GLU A 188 6.066 -14.437 19.548 1.00 46.92 C ATOM 1276 O GLU A 188 5.246 -15.192 19.022 1.00 47.61 O ATOM 1277 CB GLU A 188 7.316 -15.576 21.383 1.00 48.56 C ATOM 1278 CG GLU A 188 7.851 -15.512 22.807 1.00 53.95 C ATOM 1279 CD GLU A 188 8.851 -14.378 23.039 1.00 56.61 C ATOM 1280 OE1 GLU A 188 9.318 -14.221 24.193 1.00 57.21 O ATOM 1281 OE2 GLU A 188 9.173 -13.646 22.074 1.00 59.55 O ATOM 0 H GLU A 188 5.177 -15.252 22.464 1.00 45.35 H new ATOM 0 HA GLU A 188 6.670 -13.600 21.288 1.00 46.64 H new ATOM 0 HB2 GLU A 188 6.893 -16.438 21.243 1.00 48.56 H new ATOM 0 HB3 GLU A 188 8.060 -15.522 20.763 1.00 48.56 H new ATOM 0 HG2 GLU A 188 7.106 -15.406 23.419 1.00 53.95 H new ATOM 0 HG3 GLU A 188 8.277 -16.357 23.022 1.00 53.95 H new ATOM 1282 N ILE A 189 6.789 -13.557 18.860 1.00 47.44 N ATOM 1283 CA ILE A 189 6.655 -13.394 17.413 1.00 46.57 C ATOM 1284 C ILE A 189 7.088 -14.688 16.709 1.00 47.13 C ATOM 1285 O ILE A 189 8.000 -15.363 17.171 1.00 47.42 O ATOM 1286 CB ILE A 189 7.489 -12.172 16.931 1.00 44.31 C ATOM 1287 CG1 ILE A 189 7.352 -12.008 15.418 1.00 44.80 C ATOM 1288 CG2 ILE A 189 8.929 -12.324 17.365 1.00 42.37 C ATOM 1289 CD1 ILE A 189 8.205 -10.906 14.831 1.00 44.66 C ATOM 0 H ILE A 189 7.372 -13.037 19.219 1.00 47.44 H new ATOM 0 HA ILE A 189 5.727 -13.222 17.187 1.00 46.57 H new ATOM 0 HB ILE A 189 7.149 -11.361 17.341 1.00 44.31 H new ATOM 0 HG12 ILE A 189 7.586 -12.846 14.990 1.00 44.80 H new ATOM 0 HG13 ILE A 189 6.422 -11.831 15.205 1.00 44.80 H new ATOM 0 HG21 ILE A 189 9.441 -11.559 17.061 1.00 42.37 H new ATOM 0 HG22 ILE A 189 8.972 -12.377 18.333 1.00 42.37 H new ATOM 0 HG23 ILE A 189 9.299 -13.134 16.981 1.00 42.37 H new ATOM 0 HD11 ILE A 189 8.064 -10.864 13.872 1.00 44.66 H new ATOM 0 HD12 ILE A 189 7.958 -10.058 15.231 1.00 44.66 H new ATOM 0 HD13 ILE A 189 9.140 -11.089 15.012 1.00 44.66 H new ATOM 1290 N LYS A 190 6.428 -15.030 15.601 1.00 47.15 N ATOM 1291 CA LYS A 190 6.716 -16.271 14.876 1.00 48.01 C ATOM 1292 C LYS A 190 8.165 -16.516 14.443 1.00 48.68 C ATOM 1293 O LYS A 190 8.560 -17.670 14.254 1.00 49.94 O ATOM 1294 CB LYS A 190 5.800 -16.404 13.643 1.00 49.01 C ATOM 1295 CG LYS A 190 4.296 -16.536 13.938 1.00 49.76 C ATOM 1296 CD LYS A 190 3.894 -17.882 14.575 1.00 49.29 C ATOM 1297 CE LYS A 190 4.061 -19.067 13.613 1.00 49.49 C ATOM 1298 NZ LYS A 190 2.845 -19.957 13.554 1.00 46.88 N ATOM 0 H LYS A 190 5.805 -14.553 15.250 1.00 47.15 H new ATOM 0 HA LYS A 190 6.540 -16.953 15.543 1.00 48.01 H new ATOM 0 HB2 LYS A 190 5.934 -15.629 13.076 1.00 49.01 H new ATOM 0 HB3 LYS A 190 6.082 -17.180 13.134 1.00 49.01 H new ATOM 0 HG2 LYS A 190 4.028 -15.816 14.531 1.00 49.76 H new ATOM 0 HG3 LYS A 190 3.803 -16.421 13.111 1.00 49.76 H new ATOM 0 HD2 LYS A 190 4.433 -18.035 15.367 1.00 49.29 H new ATOM 0 HD3 LYS A 190 2.970 -17.834 14.866 1.00 49.29 H new ATOM 0 HE2 LYS A 190 4.252 -18.730 12.724 1.00 49.49 H new ATOM 0 HE3 LYS A 190 4.828 -19.594 13.888 1.00 49.49 H new ATOM 0 HZ1 LYS A 190 2.993 -20.625 12.985 1.00 46.88 H new ATOM 0 HZ2 LYS A 190 2.680 -20.288 14.363 1.00 46.88 H new ATOM 0 HZ3 LYS A 190 2.143 -19.484 13.279 1.00 46.88 H new ATOM 1299 N ALA A 191 8.952 -15.456 14.277 1.00 48.49 N ATOM 1300 CA ALA A 191 10.349 -15.599 13.850 1.00 49.93 C ATOM 1301 C ALA A 191 11.280 -15.696 15.053 1.00 51.68 C ATOM 1302 O ALA A 191 12.499 -15.508 14.948 1.00 50.34 O ATOM 1303 CB ALA A 191 10.750 -14.423 12.985 1.00 49.84 C ATOM 0 H ALA A 191 8.700 -14.644 14.406 1.00 48.49 H new ATOM 0 HA ALA A 191 10.426 -16.418 13.336 1.00 49.93 H new ATOM 0 HB1 ALA A 191 11.674 -14.525 12.707 1.00 49.84 H new ATOM 0 HB2 ALA A 191 10.179 -14.388 12.201 1.00 49.84 H new ATOM 0 HB3 ALA A 191 10.654 -13.601 13.491 1.00 49.84 H new ATOM 1304 N ASP A 192 10.681 -16.010 16.194 1.00 53.46 N ATOM 1305 CA ASP A 192 11.399 -16.126 17.450 1.00 56.06 C ATOM 1306 C ASP A 192 12.196 -17.420 17.601 1.00 58.27 C ATOM 1307 O ASP A 192 11.848 -18.466 17.034 1.00 58.12 O ATOM 1308 CB ASP A 192 10.404 -15.975 18.608 1.00 55.92 C ATOM 1309 CG ASP A 192 11.072 -15.989 19.957 1.00 56.33 C ATOM 1310 OD1 ASP A 192 11.422 -17.091 20.423 1.00 58.40 O ATOM 1311 OD2 ASP A 192 11.256 -14.902 20.549 1.00 55.54 O ATOM 0 H ASP A 192 9.837 -16.163 16.259 1.00 53.46 H new ATOM 0 HA ASP A 192 12.059 -15.415 17.462 1.00 56.06 H new ATOM 0 HB2 ASP A 192 9.915 -15.144 18.502 1.00 55.92 H new ATOM 0 HB3 ASP A 192 9.754 -16.694 18.566 1.00 55.92 H new ATOM 1312 N TYR A 193 13.283 -17.321 18.364 1.00 60.61 N ATOM 1313 CA TYR A 193 14.150 -18.458 18.650 1.00 61.91 C ATOM 1314 C TYR A 193 13.931 -18.861 20.116 1.00 62.23 C ATOM 1315 O TYR A 193 13.465 -19.997 20.347 1.00 61.12 O ATOM 1316 CB TYR A 193 15.627 -18.089 18.443 1.00 62.98 C ATOM 1317 CG TYR A 193 15.989 -17.507 17.087 1.00 63.54 C ATOM 1318 CD1 TYR A 193 15.636 -16.201 16.746 1.00 64.28 C ATOM 1319 CD2 TYR A 193 16.733 -18.249 16.162 1.00 63.29 C ATOM 1320 CE1 TYR A 193 16.025 -15.648 15.520 1.00 64.25 C ATOM 1321 CE2 TYR A 193 17.123 -17.704 14.935 1.00 62.04 C ATOM 1322 CZ TYR A 193 16.768 -16.405 14.626 1.00 63.08 C ATOM 1323 OH TYR A 193 17.167 -15.852 13.436 1.00 62.79 O ATOM 0 H TYR A 193 13.538 -16.587 18.732 1.00 60.61 H new ATOM 0 HA TYR A 193 13.934 -19.188 18.049 1.00 61.91 H new ATOM 0 HB2 TYR A 193 15.880 -17.449 19.127 1.00 62.98 H new ATOM 0 HB3 TYR A 193 16.163 -18.885 18.586 1.00 62.98 H new ATOM 0 HD1 TYR A 193 15.136 -15.691 17.341 1.00 64.28 H new ATOM 0 HD2 TYR A 193 16.973 -19.124 16.368 1.00 63.29 H new ATOM 0 HE1 TYR A 193 15.786 -14.775 15.305 1.00 64.25 H new ATOM 0 HE2 TYR A 193 17.617 -18.211 14.332 1.00 62.04 H new ATOM 0 HH TYR A 193 17.606 -16.418 12.997 1.00 62.79 H new TER 1324 TYR A 193 HETATM 1325 MG MG A 401 13.021 -8.930 18.472 1.00 35.01 MG HETATM 1326 MG MG A 402 12.490 -12.901 20.463 1.00 26.94 MG HETATM 1327 O HOH B 7 14.139 -2.551 20.721 1.00 30.71 O HETATM 1328 O HOH B 8 8.711 7.311 35.201 1.00 29.55 O HETATM 1329 O HOH C 12 18.742 4.721 28.078 1.00 20.63 O HETATM 1330 O HOH C 15 26.764 -0.014 22.492 1.00 41.55 O HETATM 1331 O HOH A 1 13.486 -14.478 21.943 1.00 30.37 O HETATM 1332 O HOH A 2 19.627 -17.149 11.223 1.00 50.82 O HETATM 1333 O HOH A 3 13.330 -6.270 14.223 1.00 32.33 O HETATM 1334 O HOH A 4 11.396 -8.807 16.102 1.00 19.47 O HETATM 1335 O HOH A 5 -0.862 -8.337 2.228 1.00 30.21 O HETATM 1336 O HOH A 7 23.043 6.325 3.381 1.00 38.91 O HETATM 1337 O HOH A 8 4.016 -6.100 25.241 1.00 29.96 O HETATM 1338 O HOH A 9 21.273 10.567 13.624 1.00 28.50 O HETATM 1339 O HOH A 11 2.490 -0.959 15.067 1.00 18.65 O HETATM 1340 O HOH A 13 26.118 5.834 8.782 1.00 40.26 O HETATM 1341 O HOH A 14 5.835 1.989 11.678 1.00 30.93 O HETATM 1342 O HOH A 16 15.938 -15.658 1.244 1.00 44.17 O HETATM 1343 O HOH A 17 3.149 -2.727 0.829 1.00 29.72 O HETATM 1344 O HOH A 18 18.113 -8.798 0.841 1.00 52.46 O HETATM 1345 O HOH A 19 18.014 -9.032 -1.228 1.00 56.34 O HETATM 1346 O HOH A 20 8.910 3.276 7.944 1.00 22.18 O CONECT 111 1325 CONECT 329 1325 CONECT 330 1326 CONECT 611 1325 CONECT 612 1325 CONECT 807 1325 CONECT 1311 1326 CONECT 1325 111 329 611 612 CONECT 1325 807 1334 CONECT 1326 330 1311 1331 CONECT 1331 1326 CONECT 1334 1325 END