USER MOD reduce.3.24.130724 H: found=0, std=0, add=2057, rem=0, adj=66 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER MEMBRANE PROTEIN/AGONIST 23-JUL-12 4G8N TITLE CRYSTAL STRUCTURE OF THE KAINATE RECEPTOR GLUK3 LIGAND-BINDING DOMAIN TITLE 2 IN COMPLEX WITH THE AGONIST G8M COMPND MOL_ID: 1; COMPND 2 MOLECULE: GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 3; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 432-546, 669-806; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 GENE: GRIK3; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: ORIGAMI2; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: POPINJ KEYWDS MEMBRANE PROTEIN, IONOTROPIC GLUTAMATE RECEPTOR, LIGAND BINDING KEYWDS 2 DOMAIN, AGONIST COMPLEX, MEMBRANE PROTEIN-AGONIST COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR R.VENSKUTONYTE,J.S.KASTRUP,K.FRYDENVANG,M.GAJHEDE REVDAT 2 14-NOV-12 4G8N 1 JRNL REVDAT 1 29-AUG-12 4G8N 0 JRNL AUTH L.JUKNAITE,R.VENSKUTONYTE,Z.ASSAF,S.FAURE,T.GEFFLAUT, JRNL AUTH 2 D.J.AITKEN,B.NIELSEN,M.GAJHEDE,J.S.KASTRUP,L.BUNCH, JRNL AUTH 3 K.FRYDENVANG,D.S.PICKERING JRNL TITL PHARMACOLOGICAL AND STRUCTURAL CHARACTERIZATION OF JRNL TITL 2 CONFORMATIONALLY RESTRICTED (S)-GLUTAMATE ANALOGUES AT JRNL TITL 3 IONOTROPIC GLUTAMATE RECEPTORS. JRNL REF J.STRUCT.BIOL. V. 180 39 2012 JRNL REFN ISSN 1047-8477 JRNL PMID 22789682 JRNL DOI 10.1016/J.JSB.2012.07.001 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH R.VENSKUTONYTE,K.FRYDENVANG,M.GAJHEDE,L.BUNCH,D.S.PICKERING, REMARK 1 AUTH 2 J.S.KASTRUP REMARK 1 TITL BINDING SITE AND INTERLOBE INTERACTIONS OF THE IONOTROPIC REMARK 1 TITL 2 GLUTAMATE RECEPTOR GLUK3 LIGAND BINDING DOMAIN REVEALED BY REMARK 1 TITL 3 HIGH RESOLUTION CRYSTAL STRUCTURE IN COMPLEX WITH REMARK 1 TITL 4 (S)-GLUTAMATE. REMARK 1 REF J. STRUCT. BIOL. V. 176 307 2011 REMARK 1 REFN ISSN 1047-8477 REMARK 1 PMID 21907808 REMARK 2 REMARK 2 RESOLUTION. 2.30 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.7.3_928) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE- REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO, REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH, REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER REMARK 3 : ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.30 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.69 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.380 REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 13368 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.173 REMARK 3 R VALUE (WORKING SET) : 0.170 REMARK 3 FREE R VALUE : 0.228 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.930 REMARK 3 FREE R VALUE TEST SET COUNT : 659 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 29.6912 - 3.9305 1.00 2702 145 0.1732 0.2126 REMARK 3 2 3.9305 - 3.1209 1.00 2548 122 0.1566 0.2168 REMARK 3 3 3.1209 - 2.7267 1.00 2526 113 0.1632 0.2375 REMARK 3 4 2.7267 - 2.4775 1.00 2479 138 0.1832 0.2436 REMARK 3 5 2.4775 - 2.3000 1.00 2454 141 0.1918 0.2694 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.00 REMARK 3 SHRINKAGE RADIUS : 0.73 REMARK 3 K_SOL : 0.40 REMARK 3 B_SOL : 41.05 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.290 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 20.570 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 31.10 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 28.62 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.16010 REMARK 3 B22 (A**2) : -0.16010 REMARK 3 B33 (A**2) : 0.32020 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.010 2100 REMARK 3 ANGLE : 1.075 2813 REMARK 3 CHIRALITY : 0.073 313 REMARK 3 PLANARITY : 0.004 356 REMARK 3 DIHEDRAL : 13.838 783 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 4G8N COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-AUG-12. REMARK 100 THE RCSB ID CODE IS RCSB073876. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 15-APR-11 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : MAX II REMARK 200 BEAMLINE : I911-3 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.00 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 225 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 13403 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.300 REMARK 200 RESOLUTION RANGE LOW (A) : 67.821 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 7.900 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.07800 REMARK 200 FOR THE DATA SET : 9.3000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.30 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.42 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 8.10 REMARK 200 R MERGE FOR SHELL (I) : 0.37800 REMARK 200 R SYM FOR SHELL (I) : 0.37800 REMARK 200 FOR SHELL : 2.000 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: PDB ENTRY 3S9E REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 49.35 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.43 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 2.2M SODIUM/POTASSIUM PHOSPHATE. REMARK 280 CRYSTALS WERE GROWN IN THE PRESENCE OF GLUTAMATE AND SOAKED WITH REMARK 280 NEW LIGAND G8M, PH 8.5, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y,X,Z+1/4 REMARK 290 4555 Y,-X,Z+3/4 REMARK 290 5555 -X,Y,-Z REMARK 290 6555 X,-Y,-Z+1/2 REMARK 290 7555 Y,X,-Z+3/4 REMARK 290 8555 -Y,-X,-Z+1/4 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 61.44050 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 30.72025 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 92.16075 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 61.44050 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 92.16075 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 30.72025 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2860 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 22650 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -52.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 444 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 462 LIES ON A SPECIAL POSITION. REMARK 375 K K A 305 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 464 LIES ON A SPECIAL POSITION. 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 1 REMARK 465 PRO A 2 REMARK 465 GLY A 3 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 SER A 168 NH2 ARG A 180 2.10 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 SER A 113 -159.68 -141.13 REMARK 500 SER A 255 112.89 -38.45 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 K A 304 K REMARK 620 N RES CSSEQI ATOM REMARK 620 1 SER A 24 O REMARK 620 2 HOH A 511 O 68.3 REMARK 620 3 HOH A 458 O 98.7 103.8 REMARK 620 4 ARG A 26 O 82.3 131.7 118.2 REMARK 620 5 HOH A 461 O 108.6 80.8 151.9 73.3 REMARK 620 6 HOH A 433 O 148.7 141.5 69.0 79.2 89.9 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 K A 305 K REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASN A 5 O REMARK 620 2 SER A 52 OG 108.1 REMARK 620 3 HOH A 402 O 70.8 74.7 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 G8M A 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 302 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 303 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 304 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 305 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3S9E RELATED DB: PDB DBREF 4G8N A 4 118 UNP P42264 GRIK3_RAT 432 546 DBREF 4G8N A 121 258 UNP P42264 GRIK3_RAT 669 806 SEQADV 4G8N GLY A 1 UNP P42264 EXPRESSION TAG SEQADV 4G8N PRO A 2 UNP P42264 EXPRESSION TAG SEQADV 4G8N GLY A 3 UNP P42264 EXPRESSION TAG SEQADV 4G8N GLY A 119 UNP P42264 LINKER SEQADV 4G8N THR A 120 UNP P42264 LINKER SEQRES 1 A 258 GLY PRO GLY THR ASN ARG SER LEU ILE VAL THR THR LEU SEQRES 2 A 258 LEU GLU GLU PRO PHE VAL MET PHE ARG LYS SER ASP ARG SEQRES 3 A 258 THR LEU TYR GLY ASN ASP ARG PHE GLU GLY TYR CYS ILE SEQRES 4 A 258 ASP LEU LEU LYS GLU LEU ALA HIS ILE LEU GLY PHE SER SEQRES 5 A 258 TYR GLU ILE ARG LEU VAL GLU ASP GLY LYS TYR GLY ALA SEQRES 6 A 258 GLN ASP ASP LYS GLY GLN TRP ASN GLY MET VAL LYS GLU SEQRES 7 A 258 LEU ILE ASP HIS LYS ALA ASP LEU ALA VAL ALA PRO LEU SEQRES 8 A 258 THR ILE THR HIS VAL ARG GLU LYS ALA ILE ASP PHE SER SEQRES 9 A 258 LYS PRO PHE MET THR LEU GLY VAL SER ILE LEU TYR ARG SEQRES 10 A 258 LYS GLY THR PRO ILE ASP SER ALA ASP ASP LEU ALA LYS SEQRES 11 A 258 GLN THR LYS ILE GLU TYR GLY ALA VAL LYS ASP GLY ALA SEQRES 12 A 258 THR MET THR PHE PHE LYS LYS SER LYS ILE SER THR PHE SEQRES 13 A 258 GLU LYS MET TRP ALA PHE MET SER SER LYS PRO SER ALA SEQRES 14 A 258 LEU VAL LYS ASN ASN GLU GLU GLY ILE GLN ARG THR LEU SEQRES 15 A 258 THR ALA ASP TYR ALA LEU LEU MET GLU SER THR THR ILE SEQRES 16 A 258 GLU TYR ILE THR GLN ARG ASN CYS ASN LEU THR GLN ILE SEQRES 17 A 258 GLY GLY LEU ILE ASP SER LYS GLY TYR GLY ILE GLY THR SEQRES 18 A 258 PRO MET GLY SER PRO TYR ARG ASP LYS ILE THR ILE ALA SEQRES 19 A 258 ILE LEU GLN LEU GLN GLU GLU ASP LYS LEU HIS ILE MET SEQRES 20 A 258 LYS GLU LYS TRP TRP ARG GLY SER GLY CYS PRO HET G8M A 301 12 HET CL A 302 1 HET CL A 303 1 HET K A 304 1 HET K A 305 1 HETNAM G8M (1S,2R)-2-[(S)-AMINO(CARBOXY) HETNAM 2 G8M METHYL]CYCLOBUTANECARBOXYLIC ACID HETNAM CL CHLORIDE ION HETNAM K POTASSIUM ION HETSYN G8M (2S,1'R,2'S)-2-(2'-CARBOXYCYCLOBUTYL)GLYCINE FORMUL 2 G8M C7 H11 N O4 FORMUL 3 CL 2(CL 1-) FORMUL 5 K 2(K 1+) FORMUL 7 HOH *129(H2 O) HELIX 1 1 TYR A 29 ASP A 32 5 4 HELIX 2 2 GLY A 36 GLY A 50 1 15 HELIX 3 3 ASN A 73 ASP A 81 1 9 HELIX 4 4 VAL A 96 LYS A 99 5 4 HELIX 5 5 SER A 124 LYS A 130 1 7 HELIX 6 6 GLY A 142 SER A 151 1 10 HELIX 7 7 ILE A 153 SER A 164 1 12 HELIX 8 8 ASN A 173 ALA A 184 1 12 HELIX 9 9 SER A 192 GLN A 200 1 9 HELIX 10 10 TYR A 227 GLU A 241 1 15 HELIX 11 11 ASP A 242 ARG A 253 1 12 SHEET 1 A 3 TYR A 53 LEU A 57 0 SHEET 2 A 3 LEU A 8 THR A 12 1 N VAL A 10 O ARG A 56 SHEET 3 A 3 LEU A 86 ALA A 87 1 O LEU A 86 N THR A 11 SHEET 1 B 2 MET A 20 PHE A 21 0 SHEET 2 B 2 PHE A 34 GLU A 35 -1 O GLU A 35 N MET A 20 SHEET 1 C 2 ILE A 101 PHE A 103 0 SHEET 2 C 2 GLY A 220 PRO A 222 -1 O THR A 221 N ASP A 102 SHEET 1 D 2 MET A 108 LEU A 110 0 SHEET 2 D 2 LYS A 215 TYR A 217 -1 O LYS A 215 N LEU A 110 SHEET 1 E 4 GLU A 135 ALA A 138 0 SHEET 2 E 4 TYR A 186 GLU A 191 1 O LEU A 189 N GLY A 137 SHEET 3 E 4 VAL A 112 ARG A 117 -1 N SER A 113 O MET A 190 SHEET 4 E 4 LEU A 205 ILE A 208 -1 O ILE A 208 N ILE A 114 SSBOND *** CYS A 203 CYS A 257 1555 1555 2.04 LINK O SER A 24 K K A 304 1555 1555 2.71 LINK K K A 304 O HOH A 511 1555 1555 2.72 LINK K K A 304 O HOH A 458 1555 1555 2.77 LINK O ARG A 26 K K A 304 1555 1555 2.79 LINK O ASN A 5 K K A 305 1555 1555 2.80 LINK K K A 304 O HOH A 461 1555 1555 2.85 LINK OG SER A 52 K K A 305 1555 1555 2.89 LINK K K A 304 O HOH A 433 1555 1555 2.92 LINK K K A 305 O HOH A 402 1555 1555 2.96 CISPEP 1 GLU A 16 PRO A 17 0 -3.28 SITE *** AC1 13 TYR A 63 PRO A 90 LEU A 91 THR A 92 SITE *** AC1 13 ARG A 97 GLY A 142 ALA A 143 THR A 144 SITE *** AC1 13 GLU A 191 TYR A 217 HOH A 405 HOH A 415 SITE *** AC1 13 HOH A 416 SITE *** AC2 2 ARG A 33 LEU A 57 SITE *** AC3 4 GLN A 239 ASP A 242 LEU A 244 HIS A 245 SITE *** AC4 6 SER A 24 ARG A 26 HOH A 433 HOH A 458 SITE *** AC4 6 HOH A 461 HOH A 511 SITE *** AC5 3 ASN A 5 SER A 52 HOH A 402 CRYST1 67.821 67.821 122.881 90.00 90.00 90.00 P 41 2 2 8 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 0.014745 0.000000 0.000000 0.00000 SCALE2 0.000000 0.014745 0.000000 0.00000 SCALE3 0.000000 0.000000 0.008138 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 301 G8M HXT : A 301 G8M OXT : A 301 G8M C :(short bond) USER MOD NoAdj-H: A 301 G8M HE2 : A 301 G8M OE2 : A 301 G8M CD :(short bond) USER MOD NoAdj-H: A 301 G8M HB2 : A 301 G8M CB : A 301 G8M CA :(H bumps) USER MOD Set 1.1: A 174 ASN : amide:sc= 0.361 K(o=-0.6,f=-1.7) USER MOD Set 1.2: A 190 MET CE :methyl -121:sc= -0.966 (180deg=-2.34!) USER MOD Set 2.1: A 113 SER OG : rot 85:sc= 1 USER MOD Set 2.2: A 207 GLN : amide:sc= 0.641 X(o=1.6,f=1.3) USER MOD Set 3.1: A 37 TYR OH : rot 180:sc= 1.24 USER MOD Set 3.2: A 108 MET CE :methyl -127:sc= -0.0449 (180deg=-0.34) USER MOD Set 4.1: A 105 LYS NZ :NH3+ -158:sc= 1.24 (180deg=0) USER MOD Set 4.2: A 239 GLN : amide:sc= 1.11 K(o=2.3,f=-13!) USER MOD Set 5.1: A 4 THR OG1 : rot -38:sc= 0.0742 USER MOD Set 5.2: A 5 ASN : amide:sc= 0 X(o=0.074,f=0.066) USER MOD Single : A 7 SER OG : rot -37:sc= 1.24 USER MOD Single : A 11 THR OG1 : rot 91:sc= 1.32 USER MOD Single : A 12 THR OG1 : rot 90:sc= 0.946 USER MOD Single : A 20 MET CE :methyl 180:sc= -0.0514 (180deg=-0.0514) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 140:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.86 K(o=1.9,f=-4.3!) USER MOD Single : A 38 CYS SG : rot 160:sc= -1.32 USER MOD Single : A 43 LYS NZ :NH3+ -127:sc= 0.462 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 36:sc= 0.715 USER MOD Single : A 62 LYS NZ :NH3+ -178:sc= 0.534 (180deg=0.531) USER MOD Single : A 63 TYR OH : rot -176:sc= 0.793 USER MOD Single : A 66 GLN : amide:sc= 0.0297 K(o=0.03,f=-0.84) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.56! K(o=-1.6!,f=-0.1) USER MOD Single : A 73 ASN : amide:sc= 0.0363 K(o=0.036,f=-5.8!) USER MOD Single : A 75 MET CE :methyl -116:sc= -0.239 (180deg=-0.879) USER MOD Single : A 77 LYS NZ :NH3+ 167:sc= 0.947 (180deg=0.86) USER MOD Single : A 82 HIS : no HE2:sc= 0.164 X(o=0.16,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot -169:sc= 0.379 USER MOD Single : A 94 THR OG1 : rot -176:sc= 0.192 USER MOD Single : A 95 HIS : no HD1:sc= 1.06 K(o=1.1,f=-1.8!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 80:sc= 1.06 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 170:sc= 0.736 (180deg=0.681) USER MOD Single : A 120 THR OG1 : rot -163:sc= 1.37 USER MOD Single : A 124 SER OG : rot -150:sc= -0.206 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 GLN : amide:sc= 1.95 K(o=2,f=-8!) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ 169:sc= -0.027 (180deg=-0.114) USER MOD Single : A 136 TYR OH : rot -165:sc= 0.447 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 THR OG1 : rot 124:sc= 2.14 USER MOD Single : A 145 MET CE :methyl 177:sc= 0 (180deg=-0.00654) USER MOD Single : A 146 THR OG1 : rot 84:sc= 0.227 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 SER OG : rot 87:sc= 1.34 USER MOD Single : A 152 LYS NZ :NH3+ 136:sc= 0.0252 (180deg=0) USER MOD Single : A 154 SER OG : rot -20:sc= 0.301 USER MOD Single : A 155 THR OG1 : rot -152:sc= 1.74 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 MET CE :methyl 167:sc= -0.0544 (180deg=-0.245) USER MOD Single : A 163 MET CE :methyl -162:sc= -0.0653 (180deg=-0.488) USER MOD Single : A 164 SER OG : rot -91:sc= 1.27 USER MOD Single : A 165 SER OG : rot -60:sc= 0.709 USER MOD Single : A 166 LYS NZ :NH3+ 171:sc= -1.17 (180deg=-1.48) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 172 LYS NZ :NH3+ -163:sc= 0.755 (180deg=0.602) USER MOD Single : A 173 ASN : amide:sc= 0.295 K(o=0.29,f=-5!) USER MOD Single : A 179 GLN : amide:sc=-0.00702 K(o=-0.007,f=-1.1) USER MOD Single : A 181 THR OG1 : rot -37:sc= 0.992 USER MOD Single : A 183 THR OG1 : rot -76:sc= 0.367 USER MOD Single : A 186 TYR OH : rot 16:sc= 1.05 USER MOD Single : A 192 SER OG : rot 119:sc= 1.29 USER MOD Single : A 193 THR OG1 : rot 175:sc= 0.0257 USER MOD Single : A 194 THR OG1 : rot 154:sc= 0.915 USER MOD Single : A 197 TYR OH : rot 163:sc= 0.191 USER MOD Single : A 199 THR OG1 : rot -75:sc= 0.453 USER MOD Single : A 200 GLN : amide:sc=-0.000292 X(o=-0.00029,f=0) USER MOD Single : A 202 ASN : amide:sc= 0.986 K(o=0.99,f=0.27) USER MOD Single : A 204 ASN : amide:sc= 1.35 K(o=1.4,f=-4.8!) USER MOD Single : A 206 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 214 SER OG : rot 180:sc= 0 USER MOD Single : A 215 LYS NZ :NH3+ -157:sc= 1.77 (180deg=-0.755) USER MOD Single : A 217 TYR OH : rot -3:sc= 0.752 USER MOD Single : A 221 THR OG1 : rot -140:sc=-0.00644 USER MOD Single : A 223 MET CE :methyl 140:sc= -0.0785 (180deg=-0.595) USER MOD Single : A 225 SER OG : rot 87:sc= 1.69 USER MOD Single : A 227 TYR OH : rot 180:sc= 0 USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 232 THR OG1 : rot 77:sc= 0.0759 USER MOD Single : A 237 GLN : amide:sc= -0.0915 K(o=-0.092,f=-2.4!) USER MOD Single : A 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 245 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.018) USER MOD Single : A 247 MET CE :methyl -153:sc= -0.223 (180deg=-1.24!) USER MOD Single : A 248 LYS NZ :NH3+ 145:sc= 0.136 (180deg=-0.13) USER MOD Single : A 250 LYS NZ :NH3+ 171:sc= 0.641 (180deg=0.6) USER MOD Single : A 255 SER OG : rot 93:sc= 0.0212 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 4 1.838 60.259 11.744 1.00 65.09 N ATOM 2 CA THR A 4 2.782 60.131 10.636 1.00 78.52 C ATOM 3 C THR A 4 4.217 60.161 11.157 1.00 78.57 C ATOM 4 O THR A 4 5.173 59.909 10.417 1.00 67.80 O ATOM 5 CB THR A 4 2.589 61.248 9.590 1.00 78.27 C ATOM 6 OG1 THR A 4 2.696 62.527 10.228 1.00 76.39 O ATOM 7 CG2 THR A 4 1.225 61.130 8.921 1.00 78.29 C ATOM 0 HA THR A 4 2.609 59.280 10.205 1.00 78.52 H new ATOM 0 HB THR A 4 3.277 61.158 8.913 1.00 78.27 H new ATOM 0 HG1 THR A 4 2.337 62.493 10.987 1.00 76.39 H new ATOM 0 HG21 THR A 4 1.122 61.840 8.268 1.00 78.29 H new ATOM 0 HG22 THR A 4 1.155 60.270 8.477 1.00 78.29 H new ATOM 0 HG23 THR A 4 0.528 61.205 9.591 1.00 78.29 H new ATOM 8 N ASN A 5 4.354 60.477 12.441 1.00 71.50 N ATOM 9 CA ASN A 5 5.650 60.466 13.106 1.00 66.08 C ATOM 10 C ASN A 5 5.571 59.769 14.461 1.00 55.89 C ATOM 11 O ASN A 5 6.584 59.566 15.130 1.00 50.95 O ATOM 12 CB ASN A 5 6.200 61.889 13.252 1.00 70.27 C ATOM 13 CG ASN A 5 6.874 62.388 11.984 1.00 69.94 C ATOM 14 OD1 ASN A 5 8.089 62.259 11.818 1.00 67.04 O ATOM 15 ND2 ASN A 5 6.084 62.957 11.080 1.00 70.14 N ATOM 0 H ASN A 5 3.699 60.703 12.950 1.00 71.50 H new ATOM 0 HA ASN A 5 6.264 59.961 12.551 1.00 66.08 H new ATOM 0 HB2 ASN A 5 5.475 62.490 13.487 1.00 70.27 H new ATOM 0 HB3 ASN A 5 6.837 61.913 13.983 1.00 70.27 H new ATOM 0 HD21 ASN A 5 6.416 63.253 10.344 1.00 70.14 H new ATOM 0 HD22 ASN A 5 5.240 63.029 11.231 1.00 70.14 H new ATOM 16 N ARG A 6 4.358 59.401 14.861 1.00 56.46 N ATOM 17 CA ARG A 6 4.160 58.665 16.102 1.00 47.16 C ATOM 18 C ARG A 6 4.845 57.307 16.016 1.00 36.50 C ATOM 19 O ARG A 6 5.144 56.815 14.927 1.00 34.03 O ATOM 20 CB ARG A 6 2.671 58.465 16.368 1.00 41.93 C ATOM 21 CG ARG A 6 1.948 57.777 15.228 1.00 35.17 C ATOM 22 CD ARG A 6 0.567 57.320 15.643 1.00 39.83 C ATOM 23 NE ARG A 6 -0.083 56.555 14.582 1.00 38.62 N ATOM 24 CZ ARG A 6 -0.103 55.228 14.521 1.00 37.60 C ATOM 25 NH1 ARG A 6 0.479 54.499 15.472 1.00 29.26 N ATOM 26 NH2 ARG A 6 -0.718 54.629 13.512 1.00 35.73 N ATOM 0 H ARG A 6 3.635 59.569 14.426 1.00 56.46 H new ATOM 0 HA ARG A 6 4.547 59.177 16.829 1.00 47.16 H new ATOM 0 HB2 ARG A 6 2.560 57.941 17.177 1.00 41.93 H new ATOM 0 HB3 ARG A 6 2.259 59.328 16.531 1.00 41.93 H new ATOM 0 HG2 ARG A 6 1.876 58.384 14.475 1.00 35.17 H new ATOM 0 HG3 ARG A 6 2.466 57.014 14.928 1.00 35.17 H new ATOM 0 HD2 ARG A 6 0.632 56.776 16.443 1.00 39.83 H new ATOM 0 HD3 ARG A 6 0.023 58.091 15.868 1.00 39.83 H new ATOM 0 HE ARG A 6 -0.479 56.992 13.956 1.00 38.62 H new ATOM 0 HH11 ARG A 6 0.871 54.887 16.132 1.00 29.26 H new ATOM 0 HH12 ARG A 6 0.462 53.640 15.426 1.00 29.26 H new ATOM 0 HH21 ARG A 6 -1.101 55.099 12.902 1.00 35.73 H new ATOM 0 HH22 ARG A 6 -0.734 53.770 13.467 1.00 35.73 H new ATOM 27 N SER A 7 5.098 56.706 17.168 1.00 35.66 N ATOM 28 CA SER A 7 5.670 55.369 17.206 1.00 28.16 C ATOM 29 C SER A 7 4.622 54.330 16.832 1.00 24.89 C ATOM 30 O SER A 7 3.521 54.341 17.368 1.00 30.84 O ATOM 31 CB SER A 7 6.229 55.076 18.596 1.00 20.37 C ATOM 32 OG SER A 7 7.425 55.809 18.793 1.00 30.24 O ATOM 0 H SER A 7 4.946 57.054 17.940 1.00 35.66 H new ATOM 0 HA SER A 7 6.393 55.324 16.561 1.00 28.16 H new ATOM 0 HB2 SER A 7 5.577 55.315 19.273 1.00 20.37 H new ATOM 0 HB3 SER A 7 6.402 54.126 18.691 1.00 20.37 H new ATOM 0 HG SER A 7 7.861 55.832 18.075 1.00 30.24 H new ATOM 33 N LEU A 8 4.973 53.428 15.924 1.00 17.68 N ATOM 34 CA LEU A 8 4.069 52.350 15.532 1.00 20.63 C ATOM 35 C LEU A 8 3.903 51.363 16.667 1.00 23.42 C ATOM 36 O LEU A 8 4.854 51.075 17.382 1.00 23.71 O ATOM 37 CB LEU A 8 4.628 51.616 14.318 1.00 17.72 C ATOM 38 CG LEU A 8 4.917 52.505 13.120 1.00 22.82 C ATOM 39 CD1 LEU A 8 5.269 51.644 11.912 1.00 18.81 C ATOM 40 CD2 LEU A 8 3.693 53.375 12.856 1.00 27.04 C ATOM 0 H LEU A 8 5.733 53.421 15.521 1.00 17.68 H new ATOM 0 HA LEU A 8 3.208 52.739 15.313 1.00 20.63 H new ATOM 0 HB2 LEU A 8 5.447 51.165 14.576 1.00 17.72 H new ATOM 0 HB3 LEU A 8 3.997 50.929 14.051 1.00 17.72 H new ATOM 0 HG LEU A 8 5.676 53.082 13.296 1.00 22.82 H new ATOM 0 HD11 LEU A 8 5.453 52.215 11.150 1.00 18.81 H new ATOM 0 HD12 LEU A 8 6.054 51.110 12.112 1.00 18.81 H new ATOM 0 HD13 LEU A 8 4.525 51.058 11.704 1.00 18.81 H new ATOM 0 HD21 LEU A 8 3.862 53.949 12.093 1.00 27.04 H new ATOM 0 HD22 LEU A 8 2.927 52.809 12.671 1.00 27.04 H new ATOM 0 HD23 LEU A 8 3.510 53.921 13.636 1.00 27.04 H new ATOM 41 N ILE A 9 2.697 50.842 16.846 1.00 21.67 N ATOM 42 CA ILE A 9 2.512 49.785 17.827 1.00 21.87 C ATOM 43 C ILE A 9 2.842 48.434 17.195 1.00 18.29 C ATOM 44 O ILE A 9 2.277 48.059 16.160 1.00 17.09 O ATOM 45 CB ILE A 9 1.080 49.751 18.382 1.00 25.14 C ATOM 46 CG1 ILE A 9 0.679 51.138 18.900 1.00 22.40 C ATOM 47 CG2 ILE A 9 0.957 48.659 19.468 1.00 19.85 C ATOM 48 CD1 ILE A 9 1.466 51.597 20.120 1.00 21.98 C ATOM 0 H ILE A 9 1.988 51.079 16.421 1.00 21.67 H new ATOM 0 HA ILE A 9 3.112 49.968 18.567 1.00 21.87 H new ATOM 0 HB ILE A 9 0.461 49.521 17.671 1.00 25.14 H new ATOM 0 HG12 ILE A 9 0.798 51.786 18.188 1.00 22.40 H new ATOM 0 HG13 ILE A 9 -0.266 51.130 19.121 1.00 22.40 H new ATOM 0 HG21 ILE A 9 0.050 48.645 19.812 1.00 19.85 H new ATOM 0 HG22 ILE A 9 1.170 47.794 19.083 1.00 19.85 H new ATOM 0 HG23 ILE A 9 1.574 48.851 20.191 1.00 19.85 H new ATOM 0 HD11 ILE A 9 1.160 52.477 20.390 1.00 21.98 H new ATOM 0 HD12 ILE A 9 1.330 50.970 20.848 1.00 21.98 H new ATOM 0 HD13 ILE A 9 2.410 51.636 19.900 1.00 21.98 H new ATOM 49 N VAL A 10 3.764 47.709 17.811 1.00 14.80 N ATOM 50 CA VAL A 10 4.156 46.409 17.289 1.00 16.89 C ATOM 51 C VAL A 10 3.649 45.292 18.180 1.00 21.32 C ATOM 52 O VAL A 10 3.980 45.231 19.358 1.00 21.71 O ATOM 53 CB VAL A 10 5.677 46.298 17.129 1.00 16.74 C ATOM 54 CG1 VAL A 10 6.080 44.866 16.879 1.00 14.00 C ATOM 55 CG2 VAL A 10 6.166 47.203 15.996 1.00 13.99 C ATOM 0 H VAL A 10 4.173 47.949 18.528 1.00 14.80 H new ATOM 0 HA VAL A 10 3.752 46.321 16.412 1.00 16.89 H new ATOM 0 HB VAL A 10 6.094 46.592 17.954 1.00 16.74 H new ATOM 0 HG11 VAL A 10 7.044 44.813 16.780 1.00 14.00 H new ATOM 0 HG12 VAL A 10 5.802 44.316 17.628 1.00 14.00 H new ATOM 0 HG13 VAL A 10 5.654 44.547 16.068 1.00 14.00 H new ATOM 0 HG21 VAL A 10 7.129 47.121 15.908 1.00 13.99 H new ATOM 0 HG22 VAL A 10 5.742 46.938 15.164 1.00 13.99 H new ATOM 0 HG23 VAL A 10 5.937 48.124 16.196 1.00 13.99 H new ATOM 56 N THR A 11 2.818 44.423 17.622 1.00 16.72 N ATOM 57 CA THR A 11 2.372 43.264 18.366 1.00 15.01 C ATOM 58 C THR A 11 3.310 42.123 18.030 1.00 18.46 C ATOM 59 O THR A 11 3.866 42.060 16.930 1.00 15.74 O ATOM 60 CB THR A 11 0.899 42.886 18.060 1.00 12.35 C ATOM 61 OG1 THR A 11 0.490 41.813 18.917 1.00 18.21 O ATOM 62 CG2 THR A 11 0.728 42.446 16.608 1.00 11.69 C ATOM 0 H THR A 11 2.505 44.487 16.823 1.00 16.72 H new ATOM 0 HA THR A 11 2.395 43.464 19.315 1.00 15.01 H new ATOM 0 HB THR A 11 0.352 43.672 18.214 1.00 12.35 H new ATOM 0 HG1 THR A 11 0.152 42.128 19.619 1.00 18.21 H new ATOM 0 HG21 THR A 11 -0.200 42.216 16.446 1.00 11.69 H new ATOM 0 HG22 THR A 11 0.989 43.170 16.017 1.00 11.69 H new ATOM 0 HG23 THR A 11 1.287 41.672 16.436 1.00 11.69 H new ATOM 63 N THR A 12 3.505 41.235 18.993 1.00 15.90 N ATOM 64 CA THR A 12 4.430 40.133 18.836 1.00 16.92 C ATOM 65 C THR A 12 4.134 39.123 19.933 1.00 17.97 C ATOM 66 O THR A 12 3.281 39.368 20.790 1.00 21.86 O ATOM 67 CB THR A 12 5.898 40.616 18.973 1.00 16.32 C ATOM 68 OG1 THR A 12 6.796 39.608 18.483 1.00 20.35 O ATOM 69 CG2 THR A 12 6.223 40.901 20.420 1.00 14.80 C ATOM 0 H THR A 12 3.104 41.256 19.754 1.00 15.90 H new ATOM 0 HA THR A 12 4.322 39.741 17.955 1.00 16.92 H new ATOM 0 HB THR A 12 6.002 41.428 18.452 1.00 16.32 H new ATOM 0 HG1 THR A 12 6.928 39.725 17.662 1.00 20.35 H new ATOM 0 HG21 THR A 12 7.142 41.202 20.492 1.00 14.80 H new ATOM 0 HG22 THR A 12 5.630 41.592 20.755 1.00 14.80 H new ATOM 0 HG23 THR A 12 6.106 40.093 20.943 1.00 14.80 H new ATOM 70 N LEU A 13 4.834 37.993 19.899 1.00 15.22 N ATOM 71 CA LEU A 13 4.852 37.052 21.015 1.00 20.78 C ATOM 72 C LEU A 13 6.206 36.349 21.117 1.00 24.49 C ATOM 73 O LEU A 13 6.989 36.352 20.167 1.00 23.41 O ATOM 74 CB LEU A 13 3.698 36.049 20.936 1.00 21.56 C ATOM 75 CG LEU A 13 3.449 35.228 19.674 1.00 24.09 C ATOM 76 CD1 LEU A 13 4.428 34.080 19.582 1.00 35.87 C ATOM 77 CD2 LEU A 13 2.017 34.682 19.674 1.00 26.97 C ATOM 0 H LEU A 13 5.313 37.750 19.227 1.00 15.22 H new ATOM 0 HA LEU A 13 4.722 37.563 21.829 1.00 20.78 H new ATOM 0 HB2 LEU A 13 3.820 35.420 21.664 1.00 21.56 H new ATOM 0 HB3 LEU A 13 2.882 36.541 21.119 1.00 21.56 H new ATOM 0 HG LEU A 13 3.573 35.807 18.906 1.00 24.09 H new ATOM 0 HD11 LEU A 13 4.255 33.570 18.775 1.00 35.87 H new ATOM 0 HD12 LEU A 13 5.333 34.428 19.556 1.00 35.87 H new ATOM 0 HD13 LEU A 13 4.325 33.504 20.356 1.00 35.87 H new ATOM 0 HD21 LEU A 13 1.869 34.162 18.869 1.00 26.97 H new ATOM 0 HD22 LEU A 13 1.886 34.117 20.452 1.00 26.97 H new ATOM 0 HD23 LEU A 13 1.389 35.421 19.702 1.00 26.97 H new ATOM 78 N LEU A 14 6.475 35.758 22.276 1.00 18.02 N ATOM 79 CA LEU A 14 7.750 35.110 22.536 1.00 21.68 C ATOM 80 C LEU A 14 7.867 33.777 21.798 1.00 20.01 C ATOM 81 O LEU A 14 7.045 32.887 21.963 1.00 20.13 O ATOM 82 CB LEU A 14 7.952 34.908 24.039 1.00 16.02 C ATOM 83 CG LEU A 14 7.942 36.196 24.862 1.00 22.02 C ATOM 84 CD1 LEU A 14 7.744 35.887 26.345 1.00 28.56 C ATOM 85 CD2 LEU A 14 9.223 36.969 24.646 1.00 17.56 C ATOM 0 H LEU A 14 5.921 35.723 22.933 1.00 18.02 H new ATOM 0 HA LEU A 14 8.449 35.694 22.201 1.00 21.68 H new ATOM 0 HB2 LEU A 14 7.255 34.321 24.371 1.00 16.02 H new ATOM 0 HB3 LEU A 14 8.797 34.454 24.181 1.00 16.02 H new ATOM 0 HG LEU A 14 7.199 36.744 24.565 1.00 22.02 H new ATOM 0 HD11 LEU A 14 7.740 36.715 26.851 1.00 28.56 H new ATOM 0 HD12 LEU A 14 6.898 35.429 26.470 1.00 28.56 H new ATOM 0 HD13 LEU A 14 8.467 35.321 26.657 1.00 28.56 H new ATOM 0 HD21 LEU A 14 9.203 37.783 25.174 1.00 17.56 H new ATOM 0 HD22 LEU A 14 9.979 36.426 24.919 1.00 17.56 H new ATOM 0 HD23 LEU A 14 9.310 37.195 23.707 1.00 17.56 H new ATOM 86 N GLU A 15 8.911 33.658 20.992 1.00 17.99 N ATOM 87 CA GLU A 15 9.130 32.485 20.165 1.00 21.48 C ATOM 88 C GLU A 15 10.615 32.450 19.815 1.00 21.01 C ATOM 89 O GLU A 15 11.088 33.290 19.042 1.00 19.72 O ATOM 90 CB GLU A 15 8.305 32.609 18.884 1.00 16.82 C ATOM 91 CG GLU A 15 8.218 31.329 18.074 1.00 23.76 C ATOM 92 CD GLU A 15 7.398 30.269 18.780 1.00 34.40 C ATOM 93 OE1 GLU A 15 6.181 30.481 18.979 1.00 31.04 O ATOM 94 OE2 GLU A 15 7.981 29.232 19.155 1.00 37.48 O ATOM 0 H GLU A 15 9.518 34.262 20.909 1.00 17.99 H new ATOM 0 HA GLU A 15 8.866 31.676 20.630 1.00 21.48 H new ATOM 0 HB2 GLU A 15 7.408 32.895 19.116 1.00 16.82 H new ATOM 0 HB3 GLU A 15 8.690 33.305 18.329 1.00 16.82 H new ATOM 0 HG2 GLU A 15 7.823 31.520 17.209 1.00 23.76 H new ATOM 0 HG3 GLU A 15 9.112 30.990 17.909 1.00 23.76 H new ATOM 95 N GLU A 16 11.363 31.520 20.401 1.00 17.68 N ATOM 96 CA GLU A 16 12.796 31.437 20.112 1.00 17.63 C ATOM 97 C GLU A 16 12.988 30.934 18.681 1.00 16.37 C ATOM 98 O GLU A 16 12.255 30.062 18.229 1.00 16.40 O ATOM 99 CB GLU A 16 13.500 30.483 21.076 1.00 17.73 C ATOM 100 CG GLU A 16 13.344 30.819 22.539 1.00 32.38 C ATOM 101 CD GLU A 16 14.075 29.838 23.451 1.00 40.42 C ATOM 102 OE1 GLU A 16 15.129 29.299 23.035 1.00 33.83 O ATOM 103 OE2 GLU A 16 13.587 29.609 24.582 1.00 44.40 O ATOM 0 H GLU A 16 11.069 30.936 20.960 1.00 17.68 H new ATOM 0 HA GLU A 16 13.183 32.320 20.218 1.00 17.63 H new ATOM 0 HB2 GLU A 16 13.161 29.586 20.927 1.00 17.73 H new ATOM 0 HB3 GLU A 16 14.446 30.468 20.861 1.00 17.73 H new ATOM 0 HG2 GLU A 16 13.680 31.715 22.699 1.00 32.38 H new ATOM 0 HG3 GLU A 16 12.401 30.825 22.767 1.00 32.38 H new ATOM 104 N PRO A 17 13.980 31.475 17.970 1.00 15.56 N ATOM 105 CA PRO A 17 14.856 32.557 18.423 1.00 13.50 C ATOM 106 C PRO A 17 14.463 33.856 17.741 1.00 15.64 C ATOM 107 O PRO A 17 15.308 34.734 17.556 1.00 12.22 O ATOM 108 CB PRO A 17 16.213 32.106 17.910 1.00 13.05 C ATOM 109 CG PRO A 17 15.866 31.522 16.549 1.00 13.91 C ATOM 110 CD PRO A 17 14.483 30.868 16.725 1.00 18.04 C ATOM 0 HA PRO A 17 14.824 32.715 19.380 1.00 13.50 H new ATOM 0 HB2 PRO A 17 16.837 32.845 17.838 1.00 13.05 H new ATOM 0 HB3 PRO A 17 16.620 31.447 18.494 1.00 13.05 H new ATOM 0 HG2 PRO A 17 15.842 32.212 15.868 1.00 13.91 H new ATOM 0 HG3 PRO A 17 16.528 30.870 16.269 1.00 13.91 H new ATOM 0 HD2 PRO A 17 13.899 31.056 15.973 1.00 18.04 H new ATOM 0 HD3 PRO A 17 14.550 29.903 16.798 1.00 18.04 H new ATOM 111 N PHE A 18 13.191 33.969 17.357 1.00 15.89 N ATOM 112 CA PHE A 18 12.695 35.189 16.716 1.00 17.35 C ATOM 113 C PHE A 18 12.532 36.324 17.721 1.00 14.85 C ATOM 114 O PHE A 18 13.011 37.429 17.496 1.00 12.65 O ATOM 115 CB PHE A 18 11.360 34.941 16.001 1.00 13.50 C ATOM 116 CG PHE A 18 11.431 33.861 14.948 1.00 23.03 C ATOM 117 CD1 PHE A 18 11.788 34.167 13.637 1.00 18.87 C ATOM 118 CD2 PHE A 18 11.146 32.542 15.267 1.00 17.13 C ATOM 119 CE1 PHE A 18 11.859 33.173 12.670 1.00 14.39 C ATOM 120 CE2 PHE A 18 11.208 31.552 14.298 1.00 16.02 C ATOM 121 CZ PHE A 18 11.571 31.871 13.001 1.00 13.26 C ATOM 0 H PHE A 18 12.600 33.352 17.458 1.00 15.89 H new ATOM 0 HA PHE A 18 13.360 35.449 16.059 1.00 17.35 H new ATOM 0 HB2 PHE A 18 10.690 34.698 16.659 1.00 13.50 H new ATOM 0 HB3 PHE A 18 11.065 35.767 15.587 1.00 13.50 H new ATOM 0 HD1 PHE A 18 11.981 35.047 13.407 1.00 18.87 H new ATOM 0 HD2 PHE A 18 10.911 32.319 16.139 1.00 17.13 H new ATOM 0 HE1 PHE A 18 12.101 33.389 11.798 1.00 14.39 H new ATOM 0 HE2 PHE A 18 11.005 30.672 14.520 1.00 16.02 H new ATOM 0 HZ PHE A 18 11.620 31.205 12.354 1.00 13.26 H new ATOM 122 N VAL A 19 11.831 36.041 18.815 1.00 11.32 N ATOM 123 CA VAL A 19 11.523 37.044 19.823 1.00 13.14 C ATOM 124 C VAL A 19 11.683 36.427 21.212 1.00 21.16 C ATOM 125 O VAL A 19 10.990 35.463 21.555 1.00 19.58 O ATOM 126 CB VAL A 19 10.078 37.550 19.678 1.00 16.12 C ATOM 127 CG1 VAL A 19 9.732 38.500 20.821 1.00 18.55 C ATOM 128 CG2 VAL A 19 9.868 38.219 18.324 1.00 16.57 C ATOM 0 H VAL A 19 11.521 35.259 18.992 1.00 11.32 H new ATOM 0 HA VAL A 19 12.131 37.790 19.704 1.00 13.14 H new ATOM 0 HB VAL A 19 9.480 36.788 19.725 1.00 16.12 H new ATOM 0 HG11 VAL A 19 8.819 38.812 20.718 1.00 18.55 H new ATOM 0 HG12 VAL A 19 9.821 38.034 21.667 1.00 18.55 H new ATOM 0 HG13 VAL A 19 10.336 39.259 20.805 1.00 18.55 H new ATOM 0 HG21 VAL A 19 8.952 38.530 18.255 1.00 16.57 H new ATOM 0 HG22 VAL A 19 10.472 38.973 18.238 1.00 16.57 H new ATOM 0 HG23 VAL A 19 10.047 37.580 17.616 1.00 16.57 H new ATOM 129 N MET A 20 12.596 36.983 22.006 1.00 15.99 N ATOM 130 CA MET A 20 12.935 36.425 23.311 1.00 16.33 C ATOM 131 C MET A 20 13.181 37.545 24.313 1.00 22.23 C ATOM 132 O MET A 20 13.500 38.669 23.919 1.00 20.26 O ATOM 133 CB MET A 20 14.213 35.592 23.196 1.00 15.78 C ATOM 134 CG MET A 20 14.240 34.636 22.011 1.00 18.06 C ATOM 135 SD MET A 20 15.726 33.629 21.972 1.00 31.17 S ATOM 136 CE MET A 20 16.879 34.716 21.122 1.00 19.09 C ATOM 0 H MET A 20 13.035 37.694 21.802 1.00 15.99 H new ATOM 0 HA MET A 20 12.197 35.872 23.612 1.00 16.33 H new ATOM 0 HB2 MET A 20 14.972 36.192 23.130 1.00 15.78 H new ATOM 0 HB3 MET A 20 14.326 35.080 24.012 1.00 15.78 H new ATOM 0 HG2 MET A 20 13.462 34.058 22.048 1.00 18.06 H new ATOM 0 HG3 MET A 20 14.176 35.145 21.188 1.00 18.06 H new ATOM 0 HE1 MET A 20 17.738 34.274 21.038 1.00 19.09 H new ATOM 0 HE2 MET A 20 16.536 34.926 20.239 1.00 19.09 H new ATOM 0 HE3 MET A 20 16.986 35.536 21.630 1.00 19.09 H new ATOM 137 N PHE A 21 13.033 37.242 25.602 1.00 20.21 N ATOM 138 CA PHE A 21 13.411 38.174 26.660 1.00 17.68 C ATOM 139 C PHE A 21 14.909 38.102 26.793 1.00 17.80 C ATOM 140 O PHE A 21 15.448 37.022 27.007 1.00 19.06 O ATOM 141 CB PHE A 21 12.794 37.767 28.004 1.00 24.34 C ATOM 142 CG PHE A 21 11.365 38.208 28.180 1.00 23.52 C ATOM 143 CD1 PHE A 21 10.930 39.420 27.665 1.00 19.90 C ATOM 144 CD2 PHE A 21 10.461 37.408 28.859 1.00 24.78 C ATOM 145 CE1 PHE A 21 9.624 39.828 27.824 1.00 21.04 C ATOM 146 CE2 PHE A 21 9.143 37.801 29.017 1.00 22.79 C ATOM 147 CZ PHE A 21 8.725 39.014 28.504 1.00 26.05 C ATOM 0 H PHE A 21 12.713 36.496 25.885 1.00 20.21 H new ATOM 0 HA PHE A 21 13.099 39.065 26.436 1.00 17.68 H new ATOM 0 HB2 PHE A 21 12.838 36.802 28.091 1.00 24.34 H new ATOM 0 HB3 PHE A 21 13.329 38.141 28.722 1.00 24.34 H new ATOM 0 HD1 PHE A 21 11.528 39.965 27.206 1.00 19.90 H new ATOM 0 HD2 PHE A 21 10.743 36.596 29.214 1.00 24.78 H new ATOM 0 HE1 PHE A 21 9.345 40.645 27.478 1.00 21.04 H new ATOM 0 HE2 PHE A 21 8.542 37.251 29.466 1.00 22.79 H new ATOM 0 HZ PHE A 21 7.842 39.286 28.614 1.00 26.05 H new ATOM 148 N ARG A 22 15.605 39.227 26.660 1.00 17.69 N ATOM 149 CA ARG A 22 17.055 39.153 26.759 1.00 23.25 C ATOM 150 C ARG A 22 17.473 39.044 28.226 1.00 23.69 C ATOM 151 O ARG A 22 16.724 39.414 29.128 1.00 20.06 O ATOM 152 CB ARG A 22 17.758 40.305 26.022 1.00 24.99 C ATOM 153 CG ARG A 22 17.609 41.630 26.679 1.00 21.07 C ATOM 154 CD ARG A 22 18.291 42.764 25.924 1.00 20.98 C ATOM 155 NE ARG A 22 18.270 43.932 26.800 1.00 17.45 N ATOM 156 CZ ARG A 22 19.212 44.180 27.701 1.00 19.46 C ATOM 157 NH1 ARG A 22 20.258 43.372 27.790 1.00 21.41 N ATOM 158 NH2 ARG A 22 19.119 45.233 28.494 1.00 24.56 N ATOM 0 H ARG A 22 15.275 40.008 26.519 1.00 17.69 H new ATOM 0 HA ARG A 22 17.349 38.348 26.304 1.00 23.25 H new ATOM 0 HB2 ARG A 22 18.702 40.098 25.945 1.00 24.99 H new ATOM 0 HB3 ARG A 22 17.406 40.361 25.120 1.00 24.99 H new ATOM 0 HG2 ARG A 22 16.665 41.833 26.770 1.00 21.07 H new ATOM 0 HG3 ARG A 22 17.976 41.581 27.576 1.00 21.07 H new ATOM 0 HD2 ARG A 22 19.202 42.524 25.694 1.00 20.98 H new ATOM 0 HD3 ARG A 22 17.828 42.950 25.092 1.00 20.98 H new ATOM 0 HE ARG A 22 17.616 44.486 26.729 1.00 17.45 H new ATOM 0 HH11 ARG A 22 20.323 42.693 27.266 1.00 21.41 H new ATOM 0 HH12 ARG A 22 20.872 43.526 28.372 1.00 21.41 H new ATOM 0 HH21 ARG A 22 18.445 45.763 28.428 1.00 24.56 H new ATOM 0 HH22 ARG A 22 19.733 45.388 29.076 1.00 24.56 H new ATOM 159 N LYS A 23 18.665 38.506 28.443 1.00 29.73 N ATOM 160 CA LYS A 23 19.184 38.228 29.776 1.00 28.84 C ATOM 161 C LYS A 23 19.816 39.468 30.404 1.00 34.17 C ATOM 162 O LYS A 23 20.546 40.208 29.740 1.00 36.70 O ATOM 163 CB LYS A 23 20.214 37.087 29.694 1.00 41.52 C ATOM 164 CG LYS A 23 21.030 36.851 30.970 1.00 62.22 C ATOM 165 CD LYS A 23 22.341 36.106 30.685 1.00 64.91 C ATOM 166 CE LYS A 23 23.176 35.927 31.953 1.00 70.86 C ATOM 167 NZ LYS A 23 24.541 35.386 31.672 1.00 78.00 N ATOM 0 H LYS A 23 19.205 38.288 27.810 1.00 29.73 H new ATOM 0 HA LYS A 23 18.444 37.961 30.343 1.00 28.84 H new ATOM 0 HB2 LYS A 23 19.749 36.266 29.468 1.00 41.52 H new ATOM 0 HB3 LYS A 23 20.827 37.275 28.966 1.00 41.52 H new ATOM 0 HG2 LYS A 23 21.228 37.703 31.389 1.00 62.22 H new ATOM 0 HG3 LYS A 23 20.500 36.341 31.602 1.00 62.22 H new ATOM 0 HD2 LYS A 23 22.143 35.237 30.302 1.00 64.91 H new ATOM 0 HD3 LYS A 23 22.855 36.596 30.025 1.00 64.91 H new ATOM 0 HE2 LYS A 23 23.257 36.781 32.406 1.00 70.86 H new ATOM 0 HE3 LYS A 23 22.713 35.328 32.559 1.00 70.86 H new ATOM 0 HZ1 LYS A 23 24.989 35.299 32.436 1.00 78.00 H new ATOM 0 HZ2 LYS A 23 24.470 34.591 31.278 1.00 78.00 H new ATOM 0 HZ3 LYS A 23 24.978 35.945 31.135 1.00 78.00 H new ATOM 168 N SER A 24 19.536 39.684 31.686 1.00 28.01 N ATOM 169 CA SER A 24 20.055 40.841 32.407 1.00 32.09 C ATOM 170 C SER A 24 19.839 40.692 33.906 1.00 33.23 C ATOM 171 O SER A 24 18.863 40.087 34.332 1.00 29.57 O ATOM 172 CB SER A 24 19.354 42.114 31.945 1.00 26.38 C ATOM 173 OG SER A 24 19.826 43.223 32.680 1.00 35.23 O ATOM 0 H SER A 24 19.041 39.165 32.161 1.00 28.01 H new ATOM 0 HA SER A 24 21.005 40.897 32.221 1.00 32.09 H new ATOM 0 HB2 SER A 24 19.513 42.253 30.998 1.00 26.38 H new ATOM 0 HB3 SER A 24 18.395 42.024 32.062 1.00 26.38 H new ATOM 0 HG SER A 24 19.914 43.882 32.167 1.00 35.23 H new ATOM 174 N ASP A 25 20.737 41.264 34.701 1.00 33.78 N ATOM 175 CA ASP A 25 20.614 41.199 36.157 1.00 41.28 C ATOM 176 C ASP A 25 19.495 42.088 36.661 1.00 39.95 C ATOM 177 O ASP A 25 18.744 41.712 37.565 1.00 58.61 O ATOM 178 CB ASP A 25 21.924 41.591 36.831 1.00 42.20 C ATOM 179 CG ASP A 25 23.076 40.718 36.395 1.00 57.76 C ATOM 180 OD1 ASP A 25 22.856 39.498 36.215 1.00 54.99 O ATOM 181 OD2 ASP A 25 24.192 41.254 36.215 1.00 72.45 O ATOM 0 H ASP A 25 21.426 41.695 34.419 1.00 33.78 H new ATOM 0 HA ASP A 25 20.402 40.280 36.385 1.00 41.28 H new ATOM 0 HB2 ASP A 25 22.127 42.517 36.625 1.00 42.20 H new ATOM 0 HB3 ASP A 25 21.821 41.530 37.794 1.00 42.20 H new ATOM 182 N ARG A 26 19.374 43.263 36.064 1.00 31.15 N ATOM 183 CA ARG A 26 18.340 44.194 36.469 1.00 28.60 C ATOM 184 C ARG A 26 17.008 43.911 35.785 1.00 28.17 C ATOM 185 O ARG A 26 16.910 43.081 34.879 1.00 26.82 O ATOM 186 CB ARG A 26 18.784 45.632 36.210 1.00 29.27 C ATOM 187 CG ARG A 26 18.987 45.970 34.761 1.00 35.36 C ATOM 188 CD ARG A 26 19.460 47.407 34.589 1.00 31.41 C ATOM 189 NE ARG A 26 18.858 47.999 33.400 1.00 41.91 N ATOM 190 CZ ARG A 26 19.379 47.916 32.180 1.00 49.21 C ATOM 191 NH1 ARG A 26 20.529 47.275 31.995 1.00 46.66 N ATOM 192 NH2 ARG A 26 18.751 48.475 31.148 1.00 39.78 N ATOM 0 H ARG A 26 19.879 43.539 35.425 1.00 31.15 H new ATOM 0 HA ARG A 26 18.202 44.074 37.422 1.00 28.60 H new ATOM 0 HB2 ARG A 26 18.121 46.235 36.581 1.00 29.27 H new ATOM 0 HB3 ARG A 26 19.613 45.793 36.687 1.00 29.27 H new ATOM 0 HG2 ARG A 26 19.638 45.364 34.374 1.00 35.36 H new ATOM 0 HG3 ARG A 26 18.156 45.841 34.277 1.00 35.36 H new ATOM 0 HD2 ARG A 26 19.224 47.928 35.372 1.00 31.41 H new ATOM 0 HD3 ARG A 26 20.427 47.429 34.515 1.00 31.41 H new ATOM 0 HE ARG A 26 18.119 48.429 33.494 1.00 41.91 H new ATOM 0 HH11 ARG A 26 20.933 46.916 32.664 1.00 46.66 H new ATOM 0 HH12 ARG A 26 20.868 47.220 31.207 1.00 46.66 H new ATOM 0 HH21 ARG A 26 18.008 48.890 31.270 1.00 39.78 H new ATOM 0 HH22 ARG A 26 19.088 48.421 30.359 1.00 39.78 H new ATOM 193 N THR A 27 15.972 44.600 36.235 1.00 23.95 N ATOM 194 CA THR A 27 14.659 44.452 35.630 1.00 23.87 C ATOM 195 C THR A 27 14.567 45.375 34.426 1.00 23.90 C ATOM 196 O THR A 27 14.831 46.577 34.530 1.00 16.41 O ATOM 197 CB THR A 27 13.561 44.822 36.621 1.00 22.13 C ATOM 198 OG1 THR A 27 13.668 43.978 37.773 1.00 24.88 O ATOM 199 CG2 THR A 27 12.195 44.651 35.981 1.00 20.16 C ATOM 0 H THR A 27 16.007 45.158 36.889 1.00 23.95 H new ATOM 0 HA THR A 27 14.540 43.527 35.364 1.00 23.87 H new ATOM 0 HB THR A 27 13.664 45.750 36.883 1.00 22.13 H new ATOM 0 HG1 THR A 27 13.066 44.178 38.324 1.00 24.88 H new ATOM 0 HG21 THR A 27 11.506 44.889 36.621 1.00 20.16 H new ATOM 0 HG22 THR A 27 12.127 45.227 35.204 1.00 20.16 H new ATOM 0 HG23 THR A 27 12.078 43.727 35.709 1.00 20.16 H new ATOM 200 N LEU A 28 14.213 44.798 33.284 1.00 25.19 N ATOM 201 CA LEU A 28 14.121 45.538 32.034 1.00 18.85 C ATOM 202 C LEU A 28 12.696 46.015 31.772 1.00 22.37 C ATOM 203 O LEU A 28 11.723 45.478 32.319 1.00 19.07 O ATOM 204 CB LEU A 28 14.590 44.662 30.877 1.00 19.70 C ATOM 205 CG LEU A 28 15.985 44.055 31.027 1.00 24.56 C ATOM 206 CD1 LEU A 28 16.355 43.256 29.779 1.00 17.85 C ATOM 207 CD2 LEU A 28 17.031 45.134 31.327 1.00 20.29 C ATOM 0 H LEU A 28 14.019 43.963 33.213 1.00 25.19 H new ATOM 0 HA LEU A 28 14.692 46.319 32.107 1.00 18.85 H new ATOM 0 HB2 LEU A 28 13.952 43.940 30.760 1.00 19.70 H new ATOM 0 HB3 LEU A 28 14.571 45.191 30.064 1.00 19.70 H new ATOM 0 HG LEU A 28 15.972 43.448 31.783 1.00 24.56 H new ATOM 0 HD11 LEU A 28 17.241 42.877 29.888 1.00 17.85 H new ATOM 0 HD12 LEU A 28 15.712 42.541 29.650 1.00 17.85 H new ATOM 0 HD13 LEU A 28 16.347 43.841 29.006 1.00 17.85 H new ATOM 0 HD21 LEU A 28 17.905 44.722 31.417 1.00 20.29 H new ATOM 0 HD22 LEU A 28 17.050 45.777 30.601 1.00 20.29 H new ATOM 0 HD23 LEU A 28 16.801 45.587 32.153 1.00 20.29 H new ATOM 208 N TYR A 29 12.580 47.023 30.917 1.00 19.48 N ATOM 209 CA TYR A 29 11.277 47.530 30.502 1.00 17.81 C ATOM 210 C TYR A 29 11.332 48.046 29.063 1.00 20.11 C ATOM 211 O TYR A 29 12.417 48.267 28.512 1.00 16.78 O ATOM 212 CB TYR A 29 10.833 48.656 31.443 1.00 24.56 C ATOM 213 CG TYR A 29 11.807 49.817 31.522 1.00 22.97 C ATOM 214 CD1 TYR A 29 11.703 50.908 30.655 1.00 30.75 C ATOM 215 CD2 TYR A 29 12.839 49.821 32.456 1.00 30.00 C ATOM 216 CE1 TYR A 29 12.589 51.984 30.737 1.00 28.71 C ATOM 217 CE2 TYR A 29 13.737 50.880 32.535 1.00 32.46 C ATOM 218 CZ TYR A 29 13.606 51.958 31.679 1.00 32.44 C ATOM 219 OH TYR A 29 14.502 53.005 31.765 1.00 43.79 O ATOM 0 H TYR A 29 13.249 47.431 30.562 1.00 19.48 H new ATOM 0 HA TYR A 29 10.635 46.804 30.545 1.00 17.81 H new ATOM 0 HB2 TYR A 29 9.971 48.989 31.149 1.00 24.56 H new ATOM 0 HB3 TYR A 29 10.708 48.290 32.333 1.00 24.56 H new ATOM 0 HD1 TYR A 29 11.031 50.918 30.012 1.00 30.75 H new ATOM 0 HD2 TYR A 29 12.930 49.102 33.038 1.00 30.00 H new ATOM 0 HE1 TYR A 29 12.498 52.712 30.165 1.00 28.71 H new ATOM 0 HE2 TYR A 29 14.424 50.863 33.162 1.00 32.46 H new ATOM 0 HH TYR A 29 15.056 52.850 32.377 1.00 43.79 H new ATOM 220 N GLY A 30 10.160 48.265 28.474 1.00 20.98 N ATOM 221 CA GLY A 30 10.065 48.769 27.115 1.00 18.77 C ATOM 222 C GLY A 30 10.668 47.829 26.075 1.00 18.49 C ATOM 223 O GLY A 30 10.726 46.609 26.263 1.00 18.38 O ATOM 0 H GLY A 30 9.401 48.125 28.853 1.00 20.98 H new ATOM 0 HA2 GLY A 30 9.132 48.923 26.899 1.00 18.77 H new ATOM 0 HA3 GLY A 30 10.514 49.627 27.064 1.00 18.77 H new ATOM 224 N ASN A 31 11.126 48.411 24.974 1.00 19.14 N ATOM 225 CA ASN A 31 11.658 47.651 23.856 1.00 18.62 C ATOM 226 C ASN A 31 12.907 46.879 24.261 1.00 20.24 C ATOM 227 O ASN A 31 13.234 45.853 23.674 1.00 17.59 O ATOM 228 CB ASN A 31 11.967 48.587 22.680 1.00 14.52 C ATOM 229 CG ASN A 31 10.718 49.265 22.132 1.00 17.47 C ATOM 230 OD1 ASN A 31 9.607 48.772 22.317 1.00 15.30 O ATOM 231 ND2 ASN A 31 10.897 50.401 21.453 1.00 12.28 N ATOM 0 H ASN A 31 11.136 49.263 24.855 1.00 19.14 H new ATOM 0 HA ASN A 31 10.986 47.008 23.580 1.00 18.62 H new ATOM 0 HB2 ASN A 31 12.600 49.264 22.967 1.00 14.52 H new ATOM 0 HB3 ASN A 31 12.394 48.081 21.971 1.00 14.52 H new ATOM 0 HD21 ASN A 31 10.220 50.817 21.125 1.00 12.28 H new ATOM 0 HD22 ASN A 31 11.690 50.716 21.344 1.00 12.28 H new ATOM 232 N ASP A 32 13.579 47.385 25.288 1.00 15.09 N ATOM 233 CA ASP A 32 14.849 46.848 25.767 1.00 17.22 C ATOM 234 C ASP A 32 14.714 45.414 26.298 1.00 19.05 C ATOM 235 O ASP A 32 15.703 44.708 26.454 1.00 23.60 O ATOM 236 CB ASP A 32 15.370 47.766 26.875 1.00 17.69 C ATOM 237 CG ASP A 32 16.781 47.445 27.298 1.00 24.34 C ATOM 238 OD1 ASP A 32 17.644 47.284 26.408 1.00 22.56 O ATOM 239 OD2 ASP A 32 17.022 47.370 28.528 1.00 27.55 O ATOM 0 H ASP A 32 13.304 48.065 25.737 1.00 15.09 H new ATOM 0 HA ASP A 32 15.469 46.814 25.022 1.00 17.22 H new ATOM 0 HB2 ASP A 32 15.332 48.686 26.570 1.00 17.69 H new ATOM 0 HB3 ASP A 32 14.784 47.698 27.645 1.00 17.69 H new ATOM 240 N ARG A 33 13.487 44.988 26.579 1.00 16.48 N ATOM 241 CA ARG A 33 13.249 43.645 27.101 1.00 16.96 C ATOM 242 C ARG A 33 13.548 42.574 26.060 1.00 19.45 C ATOM 243 O ARG A 33 13.833 41.425 26.405 1.00 21.89 O ATOM 244 CB ARG A 33 11.790 43.501 27.555 1.00 15.41 C ATOM 245 CG ARG A 33 11.419 44.267 28.832 1.00 15.43 C ATOM 246 CD ARG A 33 9.898 44.249 29.046 1.00 16.99 C ATOM 247 NE ARG A 33 9.205 45.014 28.009 1.00 15.82 N ATOM 248 CZ ARG A 33 7.935 44.839 27.653 1.00 21.62 C ATOM 249 NH1 ARG A 33 7.200 43.910 28.244 1.00 14.90 N ATOM 250 NH2 ARG A 33 7.400 45.597 26.693 1.00 16.52 N ATOM 0 H ARG A 33 12.777 45.462 26.475 1.00 16.48 H new ATOM 0 HA ARG A 33 13.847 43.521 27.855 1.00 16.96 H new ATOM 0 HB2 ARG A 33 11.212 43.802 26.836 1.00 15.41 H new ATOM 0 HB3 ARG A 33 11.602 42.560 27.695 1.00 15.41 H new ATOM 0 HG2 ARG A 33 11.864 43.868 29.596 1.00 15.43 H new ATOM 0 HG3 ARG A 33 11.732 45.183 28.769 1.00 15.43 H new ATOM 0 HD2 ARG A 33 9.580 43.333 29.042 1.00 16.99 H new ATOM 0 HD3 ARG A 33 9.688 44.618 29.918 1.00 16.99 H new ATOM 0 HE ARG A 33 9.652 45.623 27.598 1.00 15.82 H new ATOM 0 HH11 ARG A 33 7.543 43.418 28.860 1.00 14.90 H new ATOM 0 HH12 ARG A 33 6.379 43.799 28.012 1.00 14.90 H new ATOM 0 HH21 ARG A 33 7.876 46.199 26.305 1.00 16.52 H new ATOM 0 HH22 ARG A 33 6.579 45.484 26.463 1.00 16.52 H new ATOM 251 N PHE A 34 13.481 42.957 24.786 1.00 16.21 N ATOM 252 CA PHE A 34 13.402 41.993 23.690 1.00 16.58 C ATOM 253 C PHE A 34 14.661 41.879 22.824 1.00 20.69 C ATOM 254 O PHE A 34 15.358 42.871 22.558 1.00 20.54 O ATOM 255 CB PHE A 34 12.220 42.343 22.777 1.00 14.88 C ATOM 256 CG PHE A 34 10.918 42.511 23.500 1.00 14.49 C ATOM 257 CD1 PHE A 34 10.218 41.408 23.962 1.00 17.04 C ATOM 258 CD2 PHE A 34 10.381 43.772 23.698 1.00 13.98 C ATOM 259 CE1 PHE A 34 9.022 41.563 24.612 1.00 17.12 C ATOM 260 CE2 PHE A 34 9.191 43.942 24.349 1.00 12.57 C ATOM 261 CZ PHE A 34 8.504 42.844 24.814 1.00 16.64 C ATOM 0 H PHE A 34 13.480 43.779 24.534 1.00 16.21 H new ATOM 0 HA PHE A 34 13.291 41.133 24.124 1.00 16.58 H new ATOM 0 HB2 PHE A 34 12.423 43.164 22.301 1.00 14.88 H new ATOM 0 HB3 PHE A 34 12.121 41.646 22.110 1.00 14.88 H new ATOM 0 HD1 PHE A 34 10.563 40.555 23.830 1.00 17.04 H new ATOM 0 HD2 PHE A 34 10.839 44.517 23.382 1.00 13.98 H new ATOM 0 HE1 PHE A 34 8.557 40.818 24.918 1.00 17.12 H new ATOM 0 HE2 PHE A 34 8.847 44.796 24.477 1.00 12.57 H new ATOM 0 HZ PHE A 34 7.696 42.955 25.262 1.00 16.64 H new ATOM 262 N GLU A 35 14.915 40.666 22.348 1.00 14.46 N ATOM 263 CA GLU A 35 15.983 40.424 21.385 1.00 14.40 C ATOM 264 C GLU A 35 15.612 39.204 20.542 1.00 16.22 C ATOM 265 O GLU A 35 14.694 38.464 20.894 1.00 13.97 O ATOM 266 CB GLU A 35 17.320 40.188 22.097 1.00 16.37 C ATOM 267 CG GLU A 35 17.407 38.832 22.797 1.00 22.30 C ATOM 268 CD GLU A 35 18.798 38.521 23.336 1.00 22.54 C ATOM 269 OE1 GLU A 35 19.718 39.354 23.177 1.00 30.28 O ATOM 270 OE2 GLU A 35 18.966 37.437 23.923 1.00 26.90 O ATOM 0 H GLU A 35 14.475 39.962 22.573 1.00 14.46 H new ATOM 0 HA GLU A 35 16.085 41.203 20.817 1.00 14.40 H new ATOM 0 HB2 GLU A 35 18.039 40.257 21.450 1.00 16.37 H new ATOM 0 HB3 GLU A 35 17.459 40.891 22.751 1.00 16.37 H new ATOM 0 HG2 GLU A 35 16.771 38.811 23.529 1.00 22.30 H new ATOM 0 HG3 GLU A 35 17.145 38.136 22.174 1.00 22.30 H new ATOM 271 N GLY A 36 16.330 39.003 19.440 1.00 11.08 N ATOM 272 CA GLY A 36 16.067 37.909 18.534 1.00 11.36 C ATOM 273 C GLY A 36 16.110 38.326 17.072 1.00 15.02 C ATOM 274 O GLY A 36 16.292 39.498 16.742 1.00 12.80 O ATOM 0 H GLY A 36 16.986 39.505 19.202 1.00 11.08 H new ATOM 0 HA2 GLY A 36 16.719 37.207 18.684 1.00 11.36 H new ATOM 0 HA3 GLY A 36 15.195 37.533 18.733 1.00 11.36 H new ATOM 275 N TYR A 37 15.944 37.347 16.191 1.00 12.28 N ATOM 276 CA TYR A 37 15.904 37.586 14.762 1.00 16.28 C ATOM 277 C TYR A 37 14.878 38.666 14.366 1.00 14.97 C ATOM 278 O TYR A 37 15.199 39.589 13.626 1.00 17.43 O ATOM 279 CB TYR A 37 15.615 36.271 14.034 1.00 13.11 C ATOM 280 CG TYR A 37 15.463 36.405 12.530 1.00 11.84 C ATOM 281 CD1 TYR A 37 16.500 36.044 11.670 1.00 13.73 C ATOM 282 CD2 TYR A 37 14.279 36.886 11.968 1.00 13.57 C ATOM 283 CE1 TYR A 37 16.361 36.160 10.281 1.00 16.49 C ATOM 284 CE2 TYR A 37 14.128 37.006 10.598 1.00 18.53 C ATOM 285 CZ TYR A 37 15.168 36.632 9.757 1.00 16.65 C ATOM 286 OH TYR A 37 15.006 36.751 8.404 1.00 22.44 O ATOM 0 H TYR A 37 15.851 36.521 16.411 1.00 12.28 H new ATOM 0 HA TYR A 37 16.773 37.926 14.496 1.00 16.28 H new ATOM 0 HB2 TYR A 37 16.333 35.646 14.221 1.00 13.11 H new ATOM 0 HB3 TYR A 37 14.802 35.885 14.397 1.00 13.11 H new ATOM 0 HD1 TYR A 37 17.297 35.721 12.025 1.00 13.73 H new ATOM 0 HD2 TYR A 37 13.577 37.131 12.526 1.00 13.57 H new ATOM 0 HE1 TYR A 37 17.061 35.923 9.717 1.00 16.49 H new ATOM 0 HE2 TYR A 37 13.334 37.335 10.242 1.00 18.53 H new ATOM 0 HH TYR A 37 14.237 37.047 8.239 1.00 22.44 H new ATOM 287 N CYS A 38 13.653 38.549 14.861 1.00 15.33 N ATOM 288 CA CYS A 38 12.608 39.503 14.508 1.00 16.10 C ATOM 289 C CYS A 38 12.853 40.889 15.094 1.00 18.04 C ATOM 290 O CYS A 38 12.457 41.894 14.504 1.00 19.52 O ATOM 291 CB CYS A 38 11.231 38.969 14.888 1.00 14.56 C ATOM 292 SG CYS A 38 10.690 37.660 13.768 1.00 33.00 S ATOM 0 H CYS A 38 13.406 37.927 15.401 1.00 15.33 H new ATOM 0 HA CYS A 38 12.636 39.608 13.544 1.00 16.10 H new ATOM 0 HB2 CYS A 38 11.255 38.629 15.796 1.00 14.56 H new ATOM 0 HB3 CYS A 38 10.587 39.694 14.874 1.00 14.56 H new ATOM 0 HG CYS A 38 9.831 37.010 14.297 1.00 33.00 H new ATOM 293 N ILE A 39 13.542 40.949 16.227 1.00 17.23 N ATOM 294 CA ILE A 39 13.913 42.240 16.809 1.00 14.18 C ATOM 295 C ILE A 39 15.010 42.922 15.981 1.00 17.59 C ATOM 296 O ILE A 39 14.964 44.138 15.754 1.00 15.91 O ATOM 297 CB ILE A 39 14.342 42.107 18.298 1.00 14.21 C ATOM 298 CG1 ILE A 39 13.305 41.300 19.077 1.00 20.51 C ATOM 299 CG2 ILE A 39 14.458 43.461 18.940 1.00 15.60 C ATOM 300 CD1 ILE A 39 11.879 41.824 18.933 1.00 16.27 C ATOM 0 H ILE A 39 13.804 40.262 16.674 1.00 17.23 H new ATOM 0 HA ILE A 39 13.122 42.801 16.787 1.00 14.18 H new ATOM 0 HB ILE A 39 15.202 41.658 18.318 1.00 14.21 H new ATOM 0 HG12 ILE A 39 13.333 40.378 18.777 1.00 20.51 H new ATOM 0 HG13 ILE A 39 13.547 41.300 20.016 1.00 20.51 H new ATOM 0 HG21 ILE A 39 14.726 43.358 19.867 1.00 15.60 H new ATOM 0 HG22 ILE A 39 15.122 43.987 18.468 1.00 15.60 H new ATOM 0 HG23 ILE A 39 13.601 43.913 18.900 1.00 15.60 H new ATOM 0 HD11 ILE A 39 11.276 41.268 19.451 1.00 16.27 H new ATOM 0 HD12 ILE A 39 11.835 42.737 19.258 1.00 16.27 H new ATOM 0 HD13 ILE A 39 11.618 41.801 17.999 1.00 16.27 H new ATOM 301 N ASP A 40 15.990 42.136 15.529 1.00 17.98 N ATOM 302 CA ASP A 40 17.032 42.639 14.633 1.00 19.34 C ATOM 303 C ASP A 40 16.429 43.178 13.337 1.00 16.58 C ATOM 304 O ASP A 40 16.801 44.249 12.859 1.00 15.60 O ATOM 305 CB ASP A 40 18.030 41.530 14.295 1.00 14.96 C ATOM 306 CG ASP A 40 19.118 41.386 15.338 1.00 20.23 C ATOM 307 OD1 ASP A 40 18.982 41.983 16.424 1.00 18.84 O ATOM 308 OD2 ASP A 40 20.104 40.666 15.073 1.00 18.69 O ATOM 0 H ASP A 40 16.068 41.304 15.731 1.00 17.98 H new ATOM 0 HA ASP A 40 17.490 43.360 15.093 1.00 19.34 H new ATOM 0 HB2 ASP A 40 17.556 40.688 14.209 1.00 14.96 H new ATOM 0 HB3 ASP A 40 18.435 41.716 13.434 1.00 14.96 H new ATOM 309 N LEU A 41 15.494 42.418 12.781 1.00 12.82 N ATOM 310 CA LEU A 41 14.839 42.786 11.526 1.00 19.85 C ATOM 311 C LEU A 41 14.090 44.092 11.701 1.00 17.41 C ATOM 312 O LEU A 41 14.217 45.016 10.890 1.00 16.39 O ATOM 313 CB LEU A 41 13.857 41.690 11.100 1.00 18.11 C ATOM 314 CG LEU A 41 13.029 41.978 9.850 1.00 19.39 C ATOM 315 CD1 LEU A 41 13.923 42.273 8.650 1.00 18.61 C ATOM 316 CD2 LEU A 41 12.134 40.799 9.553 1.00 19.56 C ATOM 0 H LEU A 41 15.220 41.676 13.117 1.00 12.82 H new ATOM 0 HA LEU A 41 15.517 42.890 10.840 1.00 19.85 H new ATOM 0 HB2 LEU A 41 14.357 40.872 10.953 1.00 18.11 H new ATOM 0 HB3 LEU A 41 13.249 41.522 11.837 1.00 18.11 H new ATOM 0 HG LEU A 41 12.486 42.764 10.017 1.00 19.39 H new ATOM 0 HD11 LEU A 41 13.372 42.452 7.872 1.00 18.61 H new ATOM 0 HD12 LEU A 41 14.475 43.048 8.840 1.00 18.61 H new ATOM 0 HD13 LEU A 41 14.492 41.507 8.474 1.00 18.61 H new ATOM 0 HD21 LEU A 41 11.609 40.983 8.759 1.00 19.56 H new ATOM 0 HD22 LEU A 41 12.677 40.009 9.405 1.00 19.56 H new ATOM 0 HD23 LEU A 41 11.540 40.646 10.305 1.00 19.56 H new ATOM 317 N LEU A 42 13.320 44.163 12.782 1.00 12.98 N ATOM 318 CA LEU A 42 12.581 45.371 13.104 1.00 14.22 C ATOM 319 C LEU A 42 13.512 46.577 13.224 1.00 16.18 C ATOM 320 O LEU A 42 13.249 47.621 12.642 1.00 16.31 O ATOM 321 CB LEU A 42 11.786 45.179 14.384 1.00 11.28 C ATOM 322 CG LEU A 42 11.080 46.405 14.950 1.00 21.74 C ATOM 323 CD1 LEU A 42 10.082 47.012 13.935 1.00 13.23 C ATOM 324 CD2 LEU A 42 10.388 46.047 16.259 1.00 14.91 C ATOM 0 H LEU A 42 13.214 43.519 13.342 1.00 12.98 H new ATOM 0 HA LEU A 42 11.963 45.547 12.377 1.00 14.22 H new ATOM 0 HB2 LEU A 42 11.118 44.494 14.224 1.00 11.28 H new ATOM 0 HB3 LEU A 42 12.387 44.837 15.064 1.00 11.28 H new ATOM 0 HG LEU A 42 11.748 47.085 15.127 1.00 21.74 H new ATOM 0 HD11 LEU A 42 9.652 47.788 14.328 1.00 13.23 H new ATOM 0 HD12 LEU A 42 10.558 47.278 13.133 1.00 13.23 H new ATOM 0 HD13 LEU A 42 9.409 46.351 13.708 1.00 13.23 H new ATOM 0 HD21 LEU A 42 9.941 46.831 16.614 1.00 14.91 H new ATOM 0 HD22 LEU A 42 9.735 45.348 16.099 1.00 14.91 H new ATOM 0 HD23 LEU A 42 11.047 45.734 16.898 1.00 14.91 H new ATOM 325 N LYS A 43 14.603 46.421 13.965 1.00 15.30 N ATOM 326 CA LYS A 43 15.563 47.501 14.153 1.00 17.07 C ATOM 327 C LYS A 43 16.129 47.967 12.822 1.00 19.08 C ATOM 328 O LYS A 43 16.266 49.169 12.573 1.00 17.95 O ATOM 329 CB LYS A 43 16.704 47.053 15.074 1.00 15.89 C ATOM 330 CG LYS A 43 16.432 47.376 16.528 1.00 25.95 C ATOM 331 CD LYS A 43 17.078 46.404 17.479 1.00 23.72 C ATOM 332 CE LYS A 43 18.552 46.658 17.655 1.00 27.75 C ATOM 333 NZ LYS A 43 19.017 45.909 18.868 1.00 36.64 N ATOM 0 H LYS A 43 14.807 45.691 14.371 1.00 15.30 H new ATOM 0 HA LYS A 43 15.095 48.244 14.566 1.00 17.07 H new ATOM 0 HB2 LYS A 43 16.838 46.097 14.977 1.00 15.89 H new ATOM 0 HB3 LYS A 43 17.528 47.485 14.798 1.00 15.89 H new ATOM 0 HG2 LYS A 43 16.753 48.271 16.721 1.00 25.95 H new ATOM 0 HG3 LYS A 43 15.474 47.380 16.679 1.00 25.95 H new ATOM 0 HD2 LYS A 43 16.638 46.460 18.342 1.00 23.72 H new ATOM 0 HD3 LYS A 43 16.946 45.500 17.152 1.00 23.72 H new ATOM 0 HE2 LYS A 43 19.041 46.367 16.870 1.00 27.75 H new ATOM 0 HE3 LYS A 43 18.721 47.607 17.759 1.00 27.75 H new ATOM 0 HZ1 LYS A 43 19.440 46.467 19.417 1.00 36.64 H new ATOM 0 HZ2 LYS A 43 18.315 45.556 19.287 1.00 36.64 H new ATOM 0 HZ3 LYS A 43 19.572 45.259 18.621 1.00 36.64 H new ATOM 334 N GLU A 44 16.454 47.006 11.970 1.00 15.80 N ATOM 335 CA GLU A 44 17.032 47.321 10.672 1.00 14.33 C ATOM 336 C GLU A 44 16.029 48.102 9.826 1.00 16.45 C ATOM 337 O GLU A 44 16.385 49.109 9.204 1.00 16.63 O ATOM 338 CB GLU A 44 17.462 46.040 9.964 1.00 18.44 C ATOM 339 CG GLU A 44 18.587 46.234 8.992 1.00 32.14 C ATOM 340 CD GLU A 44 19.680 47.124 9.551 1.00 36.30 C ATOM 341 OE1 GLU A 44 20.182 46.846 10.672 1.00 26.13 O ATOM 342 OE2 GLU A 44 20.015 48.111 8.861 1.00 30.34 O ATOM 0 H GLU A 44 16.349 46.166 12.123 1.00 15.80 H new ATOM 0 HA GLU A 44 17.818 47.875 10.800 1.00 14.33 H new ATOM 0 HB2 GLU A 44 17.730 45.387 10.629 1.00 18.44 H new ATOM 0 HB3 GLU A 44 16.699 45.669 9.493 1.00 18.44 H new ATOM 0 HG2 GLU A 44 18.963 45.371 8.758 1.00 32.14 H new ATOM 0 HG3 GLU A 44 18.242 46.624 8.174 1.00 32.14 H new ATOM 343 N LEU A 45 14.774 47.650 9.831 1.00 13.74 N ATOM 344 CA LEU A 45 13.715 48.330 9.097 1.00 13.38 C ATOM 345 C LEU A 45 13.496 49.743 9.629 1.00 19.40 C ATOM 346 O LEU A 45 13.326 50.683 8.847 1.00 19.84 O ATOM 347 CB LEU A 45 12.399 47.550 9.162 1.00 10.92 C ATOM 348 CG LEU A 45 12.392 46.154 8.537 1.00 19.81 C ATOM 349 CD1 LEU A 45 11.135 45.421 8.931 1.00 18.97 C ATOM 350 CD2 LEU A 45 12.517 46.199 7.034 1.00 19.94 C ATOM 0 H LEU A 45 14.518 46.948 10.256 1.00 13.74 H new ATOM 0 HA LEU A 45 14.001 48.382 8.171 1.00 13.38 H new ATOM 0 HB2 LEU A 45 12.144 47.465 10.094 1.00 10.92 H new ATOM 0 HB3 LEU A 45 11.712 48.079 8.727 1.00 10.92 H new ATOM 0 HG LEU A 45 13.167 45.680 8.876 1.00 19.81 H new ATOM 0 HD11 LEU A 45 11.137 44.537 8.532 1.00 18.97 H new ATOM 0 HD12 LEU A 45 11.097 45.339 9.897 1.00 18.97 H new ATOM 0 HD13 LEU A 45 10.361 45.915 8.619 1.00 18.97 H new ATOM 0 HD21 LEU A 45 12.508 45.295 6.681 1.00 19.94 H new ATOM 0 HD22 LEU A 45 11.773 46.698 6.662 1.00 19.94 H new ATOM 0 HD23 LEU A 45 13.350 46.632 6.791 1.00 19.94 H new ATOM 351 N ALA A 46 13.489 49.892 10.953 1.00 12.40 N ATOM 352 CA ALA A 46 13.218 51.193 11.555 1.00 14.82 C ATOM 353 C ALA A 46 14.364 52.155 11.218 1.00 17.61 C ATOM 354 O ALA A 46 14.167 53.354 11.043 1.00 14.64 O ATOM 355 CB ALA A 46 13.049 51.055 13.052 1.00 13.45 C ATOM 0 H ALA A 46 13.637 49.258 11.514 1.00 12.40 H new ATOM 0 HA ALA A 46 12.391 51.551 11.195 1.00 14.82 H new ATOM 0 HB1 ALA A 46 12.870 51.926 13.439 1.00 13.45 H new ATOM 0 HB2 ALA A 46 12.307 50.459 13.241 1.00 13.45 H new ATOM 0 HB3 ALA A 46 13.862 50.691 13.437 1.00 13.45 H new ATOM 356 N HIS A 47 15.570 51.611 11.130 1.00 14.35 N ATOM 357 CA HIS A 47 16.726 52.411 10.762 1.00 16.78 C ATOM 358 C HIS A 47 16.588 52.883 9.308 1.00 15.69 C ATOM 359 O HIS A 47 16.674 54.078 9.016 1.00 13.44 O ATOM 360 CB HIS A 47 17.980 51.578 10.945 1.00 14.21 C ATOM 361 CG HIS A 47 19.213 52.204 10.386 1.00 17.53 C ATOM 362 ND1 HIS A 47 19.888 53.218 11.028 1.00 14.12 N ATOM 363 CD2 HIS A 47 19.915 51.934 9.259 1.00 16.47 C ATOM 364 CE1 HIS A 47 20.945 53.558 10.312 1.00 18.29 C ATOM 365 NE2 HIS A 47 20.982 52.795 9.232 1.00 21.81 N ATOM 0 H HIS A 47 15.739 50.781 11.279 1.00 14.35 H new ATOM 0 HA HIS A 47 16.784 53.195 11.330 1.00 16.78 H new ATOM 0 HB2 HIS A 47 18.113 51.414 11.892 1.00 14.21 H new ATOM 0 HB3 HIS A 47 17.848 50.714 10.524 1.00 14.21 H new ATOM 0 HD2 HIS A 47 19.711 51.286 8.623 1.00 16.47 H new ATOM 0 HE1 HIS A 47 21.559 54.221 10.530 1.00 18.29 H new ATOM 0 HE2 HIS A 47 21.578 52.833 8.613 1.00 21.81 H new ATOM 366 N ILE A 48 16.319 51.937 8.417 1.00 14.30 N ATOM 367 CA ILE A 48 16.185 52.222 7.001 1.00 13.36 C ATOM 368 C ILE A 48 15.066 53.214 6.706 1.00 19.25 C ATOM 369 O ILE A 48 15.251 54.153 5.927 1.00 19.07 O ATOM 370 CB ILE A 48 16.015 50.931 6.184 1.00 19.03 C ATOM 371 CG1 ILE A 48 17.358 50.190 6.105 1.00 15.78 C ATOM 372 CG2 ILE A 48 15.509 51.243 4.776 1.00 18.25 C ATOM 373 CD1 ILE A 48 17.226 48.694 5.895 1.00 14.30 C ATOM 0 H ILE A 48 16.209 51.109 8.620 1.00 14.30 H new ATOM 0 HA ILE A 48 17.013 52.646 6.725 1.00 13.36 H new ATOM 0 HB ILE A 48 15.360 50.368 6.626 1.00 19.03 H new ATOM 0 HG12 ILE A 48 17.881 50.564 5.379 1.00 15.78 H new ATOM 0 HG13 ILE A 48 17.854 50.350 6.923 1.00 15.78 H new ATOM 0 HG21 ILE A 48 15.409 50.417 4.278 1.00 18.25 H new ATOM 0 HG22 ILE A 48 14.651 51.692 4.832 1.00 18.25 H new ATOM 0 HG23 ILE A 48 16.146 51.818 4.323 1.00 18.25 H new ATOM 0 HD11 ILE A 48 18.109 48.294 5.855 1.00 14.30 H new ATOM 0 HD12 ILE A 48 16.728 48.306 6.632 1.00 14.30 H new ATOM 0 HD13 ILE A 48 16.756 48.524 5.063 1.00 14.30 H new ATOM 374 N LEU A 49 13.929 53.040 7.367 1.00 15.63 N ATOM 375 CA LEU A 49 12.733 53.794 7.019 1.00 17.20 C ATOM 376 C LEU A 49 12.479 54.990 7.936 1.00 22.64 C ATOM 377 O LEU A 49 11.603 55.817 7.668 1.00 18.56 O ATOM 378 CB LEU A 49 11.528 52.850 7.009 1.00 20.03 C ATOM 379 CG LEU A 49 11.649 51.746 5.950 1.00 22.61 C ATOM 380 CD1 LEU A 49 10.571 50.703 6.127 1.00 21.09 C ATOM 381 CD2 LEU A 49 11.560 52.356 4.560 1.00 24.48 C ATOM 0 H LEU A 49 13.829 52.490 8.021 1.00 15.63 H new ATOM 0 HA LEU A 49 12.873 54.168 6.135 1.00 17.20 H new ATOM 0 HB2 LEU A 49 11.433 52.444 7.885 1.00 20.03 H new ATOM 0 HB3 LEU A 49 10.721 53.363 6.845 1.00 20.03 H new ATOM 0 HG LEU A 49 12.509 51.311 6.058 1.00 22.61 H new ATOM 0 HD11 LEU A 49 10.669 50.018 5.447 1.00 21.09 H new ATOM 0 HD12 LEU A 49 10.651 50.300 7.006 1.00 21.09 H new ATOM 0 HD13 LEU A 49 9.700 51.120 6.042 1.00 21.09 H new ATOM 0 HD21 LEU A 49 11.637 51.655 3.893 1.00 24.48 H new ATOM 0 HD22 LEU A 49 10.707 52.807 4.458 1.00 24.48 H new ATOM 0 HD23 LEU A 49 12.279 52.996 4.440 1.00 24.48 H new ATOM 382 N GLY A 50 13.252 55.087 9.015 1.00 18.91 N ATOM 383 CA GLY A 50 13.098 56.189 9.943 1.00 16.14 C ATOM 384 C GLY A 50 11.766 56.184 10.671 1.00 17.21 C ATOM 385 O GLY A 50 11.060 57.189 10.690 1.00 14.43 O ATOM 0 H GLY A 50 13.868 54.524 9.223 1.00 18.91 H new ATOM 0 HA2 GLY A 50 13.815 56.156 10.595 1.00 16.14 H new ATOM 0 HA3 GLY A 50 13.192 57.025 9.460 1.00 16.14 H new ATOM 386 N PHE A 51 11.402 55.055 11.271 1.00 12.93 N ATOM 387 CA PHE A 51 10.247 55.054 12.167 1.00 15.31 C ATOM 388 C PHE A 51 10.647 54.506 13.531 1.00 18.95 C ATOM 389 O PHE A 51 11.710 53.904 13.667 1.00 20.68 O ATOM 390 CB PHE A 51 9.037 54.300 11.574 1.00 10.09 C ATOM 391 CG PHE A 51 9.247 52.822 11.411 1.00 10.06 C ATOM 392 CD1 PHE A 51 8.918 51.948 12.426 1.00 18.28 C ATOM 393 CD2 PHE A 51 9.754 52.304 10.229 1.00 16.22 C ATOM 394 CE1 PHE A 51 9.113 50.572 12.281 1.00 16.04 C ATOM 395 CE2 PHE A 51 9.949 50.937 10.070 1.00 15.05 C ATOM 396 CZ PHE A 51 9.627 50.069 11.107 1.00 14.71 C ATOM 0 H PHE A 51 11.797 54.297 11.178 1.00 12.93 H new ATOM 0 HA PHE A 51 9.955 55.973 12.277 1.00 15.31 H new ATOM 0 HB2 PHE A 51 8.267 54.445 12.146 1.00 10.09 H new ATOM 0 HB3 PHE A 51 8.824 54.683 10.709 1.00 10.09 H new ATOM 0 HD1 PHE A 51 8.561 52.279 13.218 1.00 18.28 H new ATOM 0 HD2 PHE A 51 9.967 52.881 9.531 1.00 16.22 H new ATOM 0 HE1 PHE A 51 8.896 49.996 12.978 1.00 16.04 H new ATOM 0 HE2 PHE A 51 10.294 50.604 9.273 1.00 15.05 H new ATOM 0 HZ PHE A 51 9.758 49.154 11.008 1.00 14.71 H new ATOM 397 N SER A 52 9.810 54.741 14.538 1.00 17.34 N ATOM 398 CA SER A 52 10.043 54.217 15.878 1.00 15.77 C ATOM 399 C SER A 52 8.836 53.392 16.256 1.00 15.80 C ATOM 400 O SER A 52 7.833 53.415 15.557 1.00 20.25 O ATOM 401 CB SER A 52 10.270 55.349 16.889 1.00 16.60 C ATOM 402 OG SER A 52 9.156 56.218 16.960 1.00 18.16 O ATOM 0 H SER A 52 9.092 55.208 14.462 1.00 17.34 H new ATOM 0 HA SER A 52 10.845 53.672 15.888 1.00 15.77 H new ATOM 0 HB2 SER A 52 10.442 54.971 17.765 1.00 16.60 H new ATOM 0 HB3 SER A 52 11.059 55.854 16.638 1.00 16.60 H new ATOM 403 N TYR A 53 8.924 52.668 17.361 1.00 14.47 N ATOM 404 CA TYR A 53 7.904 51.689 17.699 1.00 18.25 C ATOM 405 C TYR A 53 7.871 51.388 19.191 1.00 18.28 C ATOM 406 O TYR A 53 8.852 51.616 19.900 1.00 18.26 O ATOM 407 CB TYR A 53 8.172 50.395 16.932 1.00 14.24 C ATOM 408 CG TYR A 53 9.620 49.944 17.044 1.00 15.79 C ATOM 409 CD1 TYR A 53 10.075 49.259 18.173 1.00 14.80 C ATOM 410 CD2 TYR A 53 10.534 50.219 16.033 1.00 14.42 C ATOM 411 CE1 TYR A 53 11.401 48.859 18.285 1.00 16.15 C ATOM 412 CE2 TYR A 53 11.858 49.820 16.137 1.00 18.02 C ATOM 413 CZ TYR A 53 12.282 49.140 17.263 1.00 15.02 C ATOM 414 OH TYR A 53 13.590 48.750 17.370 1.00 17.22 O ATOM 0 H TYR A 53 9.567 52.728 17.929 1.00 14.47 H new ATOM 0 HA TYR A 53 7.043 52.062 17.452 1.00 18.25 H new ATOM 0 HB2 TYR A 53 7.591 49.696 17.270 1.00 14.24 H new ATOM 0 HB3 TYR A 53 7.947 50.524 15.997 1.00 14.24 H new ATOM 0 HD1 TYR A 53 9.480 49.067 18.862 1.00 14.80 H new ATOM 0 HD2 TYR A 53 10.253 50.678 15.275 1.00 14.42 H new ATOM 0 HE1 TYR A 53 11.692 48.406 19.043 1.00 16.15 H new ATOM 0 HE2 TYR A 53 12.458 50.009 15.452 1.00 18.02 H new ATOM 0 HH TYR A 53 13.631 48.010 17.766 1.00 17.22 H new ATOM 415 N GLU A 54 6.729 50.876 19.649 1.00 19.12 N ATOM 416 CA GLU A 54 6.597 50.297 20.978 1.00 17.56 C ATOM 417 C GLU A 54 6.190 48.818 20.854 1.00 18.02 C ATOM 418 O GLU A 54 5.163 48.487 20.269 1.00 17.85 O ATOM 419 CB GLU A 54 5.564 51.072 21.795 1.00 25.49 C ATOM 420 CG GLU A 54 5.398 50.577 23.232 1.00 27.18 C ATOM 421 CD GLU A 54 4.132 51.117 23.894 1.00 40.28 C ATOM 422 OE1 GLU A 54 3.603 52.145 23.420 1.00 44.53 O ATOM 423 OE2 GLU A 54 3.656 50.509 24.879 1.00 39.13 O ATOM 0 H GLU A 54 6.003 50.857 19.189 1.00 19.12 H new ATOM 0 HA GLU A 54 7.449 50.353 21.438 1.00 17.56 H new ATOM 0 HB2 GLU A 54 5.818 52.008 21.814 1.00 25.49 H new ATOM 0 HB3 GLU A 54 4.706 51.020 21.345 1.00 25.49 H new ATOM 0 HG2 GLU A 54 5.373 49.607 23.236 1.00 27.18 H new ATOM 0 HG3 GLU A 54 6.171 50.843 23.754 1.00 27.18 H new ATOM 424 N ILE A 55 7.007 47.921 21.387 1.00 19.27 N ATOM 425 CA ILE A 55 6.703 46.496 21.303 1.00 16.40 C ATOM 426 C ILE A 55 5.761 46.068 22.426 1.00 17.57 C ATOM 427 O ILE A 55 5.987 46.397 23.582 1.00 16.37 O ATOM 428 CB ILE A 55 7.983 45.643 21.296 1.00 15.75 C ATOM 429 CG1 ILE A 55 8.855 46.018 20.092 1.00 17.60 C ATOM 430 CG2 ILE A 55 7.639 44.159 21.214 1.00 15.53 C ATOM 431 CD1 ILE A 55 10.324 45.611 20.220 1.00 12.93 C ATOM 0 H ILE A 55 7.737 48.112 21.799 1.00 19.27 H new ATOM 0 HA ILE A 55 6.250 46.344 20.459 1.00 16.40 H new ATOM 0 HB ILE A 55 8.466 45.814 22.120 1.00 15.75 H new ATOM 0 HG12 ILE A 55 8.485 45.603 19.297 1.00 17.60 H new ATOM 0 HG13 ILE A 55 8.808 46.978 19.959 1.00 17.60 H new ATOM 0 HG21 ILE A 55 8.456 43.637 21.211 1.00 15.53 H new ATOM 0 HG22 ILE A 55 7.099 43.909 21.980 1.00 15.53 H new ATOM 0 HG23 ILE A 55 7.142 43.986 20.399 1.00 15.53 H new ATOM 0 HD11 ILE A 55 10.806 45.882 19.423 1.00 12.93 H new ATOM 0 HD12 ILE A 55 10.714 46.044 20.995 1.00 12.93 H new ATOM 0 HD13 ILE A 55 10.386 44.648 20.323 1.00 12.93 H new ATOM 432 N ARG A 56 4.682 45.375 22.064 1.00 20.69 N ATOM 433 CA ARG A 56 3.727 44.845 23.029 1.00 20.04 C ATOM 434 C ARG A 56 3.438 43.372 22.768 1.00 24.01 C ATOM 435 O ARG A 56 3.227 42.965 21.625 1.00 20.42 O ATOM 436 CB ARG A 56 2.407 45.606 22.960 1.00 16.93 C ATOM 437 CG ARG A 56 2.459 47.039 23.441 1.00 22.78 C ATOM 438 CD ARG A 56 1.067 47.664 23.309 1.00 30.78 C ATOM 439 NE ARG A 56 1.076 49.111 23.495 1.00 29.55 N ATOM 440 CZ ARG A 56 0.058 49.909 23.182 1.00 34.10 C ATOM 441 NH1 ARG A 56 -1.055 49.394 22.666 1.00 31.47 N ATOM 442 NH2 ARG A 56 0.158 51.220 23.374 1.00 26.72 N ATOM 0 H ARG A 56 4.485 45.199 21.246 1.00 20.69 H new ATOM 0 HA ARG A 56 4.126 44.949 23.907 1.00 20.04 H new ATOM 0 HB2 ARG A 56 2.095 45.600 22.041 1.00 16.93 H new ATOM 0 HB3 ARG A 56 1.747 45.128 23.486 1.00 16.93 H new ATOM 0 HG2 ARG A 56 2.754 47.071 24.365 1.00 22.78 H new ATOM 0 HG3 ARG A 56 3.103 47.544 22.920 1.00 22.78 H new ATOM 0 HD2 ARG A 56 0.706 47.457 22.433 1.00 30.78 H new ATOM 0 HD3 ARG A 56 0.473 47.262 23.962 1.00 30.78 H new ATOM 0 HE ARG A 56 1.783 49.471 23.828 1.00 29.55 H new ATOM 0 HH11 ARG A 56 -1.116 48.546 22.535 1.00 31.47 H new ATOM 0 HH12 ARG A 56 -1.713 49.909 22.463 1.00 31.47 H new ATOM 0 HH21 ARG A 56 0.881 51.553 23.701 1.00 26.72 H new ATOM 0 HH22 ARG A 56 -0.500 51.736 23.172 1.00 26.72 H new ATOM 443 N LEU A 57 3.398 42.579 23.833 1.00 20.59 N ATOM 444 CA LEU A 57 3.086 41.160 23.703 1.00 23.62 C ATOM 445 C LEU A 57 1.581 40.920 23.565 1.00 20.18 C ATOM 446 O LEU A 57 0.791 41.464 24.325 1.00 25.17 O ATOM 447 CB LEU A 57 3.663 40.388 24.889 1.00 24.46 C ATOM 448 CG LEU A 57 5.198 40.275 24.877 1.00 22.12 C ATOM 449 CD1 LEU A 57 5.760 40.048 26.282 1.00 19.81 C ATOM 450 CD2 LEU A 57 5.613 39.144 23.955 1.00 23.25 C ATOM 0 H LEU A 57 3.548 42.842 24.638 1.00 20.59 H new ATOM 0 HA LEU A 57 3.498 40.833 22.888 1.00 23.62 H new ATOM 0 HB2 LEU A 57 3.387 40.823 25.711 1.00 24.46 H new ATOM 0 HB3 LEU A 57 3.283 39.496 24.898 1.00 24.46 H new ATOM 0 HG LEU A 57 5.562 41.113 24.552 1.00 22.12 H new ATOM 0 HD11 LEU A 57 6.727 39.982 26.237 1.00 19.81 H new ATOM 0 HD12 LEU A 57 5.513 40.792 26.853 1.00 19.81 H new ATOM 0 HD13 LEU A 57 5.397 39.226 26.647 1.00 19.81 H new ATOM 0 HD21 LEU A 57 6.580 39.072 23.946 1.00 23.25 H new ATOM 0 HD22 LEU A 57 5.230 38.311 24.271 1.00 23.25 H new ATOM 0 HD23 LEU A 57 5.295 39.325 23.057 1.00 23.25 H new ATOM 451 N VAL A 58 1.183 40.124 22.577 1.00 18.60 N ATOM 452 CA VAL A 58 -0.237 39.842 22.375 1.00 22.04 C ATOM 453 C VAL A 58 -0.747 39.093 23.612 1.00 22.04 C ATOM 454 O VAL A 58 -0.102 38.164 24.096 1.00 13.87 O ATOM 455 CB VAL A 58 -0.495 39.046 21.057 1.00 20.27 C ATOM 456 CG1 VAL A 58 0.201 37.667 21.087 1.00 14.69 C ATOM 457 CG2 VAL A 58 -1.990 38.904 20.788 1.00 18.58 C ATOM 0 H VAL A 58 1.712 39.740 22.018 1.00 18.60 H new ATOM 0 HA VAL A 58 -0.726 40.673 22.271 1.00 22.04 H new ATOM 0 HB VAL A 58 -0.108 39.552 20.326 1.00 20.27 H new ATOM 0 HG11 VAL A 58 0.023 37.197 20.257 1.00 14.69 H new ATOM 0 HG12 VAL A 58 1.158 37.789 21.191 1.00 14.69 H new ATOM 0 HG13 VAL A 58 -0.141 37.148 21.832 1.00 14.69 H new ATOM 0 HG21 VAL A 58 -2.125 38.407 19.966 1.00 18.58 H new ATOM 0 HG22 VAL A 58 -2.408 38.430 21.524 1.00 18.58 H new ATOM 0 HG23 VAL A 58 -2.389 39.784 20.703 1.00 18.58 H new ATOM 458 N GLU A 59 -1.888 39.514 24.141 1.00 23.42 N ATOM 459 CA GLU A 59 -2.316 39.021 25.450 1.00 24.34 C ATOM 460 C GLU A 59 -2.640 37.523 25.480 1.00 28.01 C ATOM 461 O GLU A 59 -2.215 36.806 26.381 1.00 25.95 O ATOM 462 CB GLU A 59 -3.500 39.831 25.969 1.00 35.90 C ATOM 463 CG GLU A 59 -3.887 39.447 27.387 1.00 56.44 C ATOM 464 CD GLU A 59 -5.081 40.221 27.904 1.00 68.69 C ATOM 465 OE1 GLU A 59 -5.887 40.700 27.075 1.00 67.63 O ATOM 466 OE2 GLU A 59 -5.212 40.347 29.142 1.00 79.82 O ATOM 0 H GLU A 59 -2.423 40.075 23.769 1.00 23.42 H new ATOM 0 HA GLU A 59 -1.553 39.141 26.037 1.00 24.34 H new ATOM 0 HB2 GLU A 59 -3.280 40.775 25.941 1.00 35.90 H new ATOM 0 HB3 GLU A 59 -4.261 39.700 25.382 1.00 35.90 H new ATOM 0 HG2 GLU A 59 -4.085 38.498 27.417 1.00 56.44 H new ATOM 0 HG3 GLU A 59 -3.131 39.598 27.975 1.00 56.44 H new ATOM 467 N ASP A 60 -3.369 37.047 24.477 1.00 19.78 N ATOM 468 CA ASP A 60 -3.791 35.659 24.460 1.00 17.22 C ATOM 469 C ASP A 60 -2.696 34.709 23.999 1.00 20.07 C ATOM 470 O ASP A 60 -2.906 33.506 23.955 1.00 29.39 O ATOM 471 CB ASP A 60 -5.075 35.476 23.628 1.00 24.94 C ATOM 472 CG ASP A 60 -4.883 35.780 22.132 1.00 27.94 C ATOM 473 OD1 ASP A 60 -3.736 35.853 21.640 1.00 27.91 O ATOM 474 OD2 ASP A 60 -5.905 35.929 21.435 1.00 30.06 O ATOM 0 H ASP A 60 -3.627 37.511 23.801 1.00 19.78 H new ATOM 0 HA ASP A 60 -3.987 35.423 25.380 1.00 17.22 H new ATOM 0 HB2 ASP A 60 -5.390 34.564 23.728 1.00 24.94 H new ATOM 0 HB3 ASP A 60 -5.767 36.055 23.983 1.00 24.94 H new ATOM 475 N GLY A 61 -1.530 35.248 23.655 1.00 19.71 N ATOM 476 CA GLY A 61 -0.401 34.413 23.273 1.00 19.72 C ATOM 477 C GLY A 61 -0.597 33.566 22.022 1.00 23.02 C ATOM 478 O GLY A 61 0.078 32.556 21.839 1.00 27.62 O ATOM 0 H GLY A 61 -1.374 36.094 23.637 1.00 19.71 H new ATOM 0 HA2 GLY A 61 0.371 34.984 23.139 1.00 19.72 H new ATOM 0 HA3 GLY A 61 -0.192 33.822 24.014 1.00 19.72 H new ATOM 479 N LYS A 62 -1.507 33.978 21.147 1.00 18.17 N ATOM 480 CA LYS A 62 -1.802 33.200 19.956 1.00 20.43 C ATOM 481 C LYS A 62 -1.363 33.925 18.690 1.00 22.28 C ATOM 482 O LYS A 62 -1.285 35.159 18.656 1.00 15.45 O ATOM 483 CB LYS A 62 -3.298 32.906 19.867 1.00 19.81 C ATOM 484 CG LYS A 62 -3.855 32.063 21.001 1.00 23.06 C ATOM 485 CD LYS A 62 -5.375 32.020 20.900 1.00 31.54 C ATOM 486 CE LYS A 62 -6.021 31.279 22.060 1.00 36.02 C ATOM 487 NZ LYS A 62 -5.896 29.812 21.901 1.00 40.64 N ATOM 0 H LYS A 62 -1.962 34.703 21.226 1.00 18.17 H new ATOM 0 HA LYS A 62 -1.306 32.369 20.027 1.00 20.43 H new ATOM 0 HB2 LYS A 62 -3.778 33.748 19.842 1.00 19.81 H new ATOM 0 HB3 LYS A 62 -3.476 32.453 19.028 1.00 19.81 H new ATOM 0 HG2 LYS A 62 -3.492 31.164 20.958 1.00 23.06 H new ATOM 0 HG3 LYS A 62 -3.588 32.436 21.856 1.00 23.06 H new ATOM 0 HD2 LYS A 62 -5.719 32.926 20.869 1.00 31.54 H new ATOM 0 HD3 LYS A 62 -5.628 31.592 20.067 1.00 31.54 H new ATOM 0 HE2 LYS A 62 -5.605 31.552 22.892 1.00 36.02 H new ATOM 0 HE3 LYS A 62 -6.959 31.521 22.119 1.00 36.02 H new ATOM 0 HZ1 LYS A 62 -6.307 29.404 22.577 1.00 40.64 H new ATOM 0 HZ2 LYS A 62 -6.271 29.563 21.133 1.00 40.64 H new ATOM 0 HZ3 LYS A 62 -5.035 29.586 21.897 1.00 40.64 H new ATOM 488 N TYR A 63 -1.089 33.151 17.646 1.00 16.50 N ATOM 489 CA TYR A 63 -0.778 33.728 16.343 1.00 17.07 C ATOM 490 C TYR A 63 -2.057 34.188 15.667 1.00 17.81 C ATOM 491 O TYR A 63 -2.151 35.340 15.247 1.00 20.38 O ATOM 492 CB TYR A 63 -0.015 32.738 15.465 1.00 19.26 C ATOM 493 CG TYR A 63 1.433 32.600 15.868 1.00 18.31 C ATOM 494 CD1 TYR A 63 2.425 33.335 15.226 1.00 15.87 C ATOM 495 CD2 TYR A 63 1.804 31.764 16.918 1.00 13.93 C ATOM 496 CE1 TYR A 63 3.748 33.230 15.608 1.00 16.46 C ATOM 497 CE2 TYR A 63 3.119 31.654 17.301 1.00 18.72 C ATOM 498 CZ TYR A 63 4.082 32.384 16.642 1.00 20.02 C ATOM 499 OH TYR A 63 5.384 32.259 17.030 1.00 25.43 O ATOM 0 H TYR A 63 -1.078 32.291 17.670 1.00 16.50 H new ATOM 0 HA TYR A 63 -0.201 34.496 16.475 1.00 17.07 H new ATOM 0 HB2 TYR A 63 -0.445 31.870 15.514 1.00 19.26 H new ATOM 0 HB3 TYR A 63 -0.064 33.027 14.540 1.00 19.26 H new ATOM 0 HD1 TYR A 63 2.194 33.906 14.529 1.00 15.87 H new ATOM 0 HD2 TYR A 63 1.153 31.274 17.366 1.00 13.93 H new ATOM 0 HE1 TYR A 63 4.405 33.724 15.173 1.00 16.46 H new ATOM 0 HE2 TYR A 63 3.357 31.090 18.001 1.00 18.72 H new ATOM 0 HH TYR A 63 5.443 31.674 17.630 1.00 25.43 H new ATOM 500 N GLY A 64 -3.043 33.297 15.575 1.00 16.24 N ATOM 501 CA GLY A 64 -4.365 33.701 15.126 1.00 19.02 C ATOM 502 C GLY A 64 -5.089 32.710 14.240 1.00 24.30 C ATOM 503 O GLY A 64 -4.542 32.227 13.242 1.00 24.30 O ATOM 0 H GLY A 64 -2.965 32.462 15.767 1.00 16.24 H new ATOM 0 HA2 GLY A 64 -4.915 33.874 15.906 1.00 19.02 H new ATOM 0 HA3 GLY A 64 -4.283 34.540 14.645 1.00 19.02 H new ATOM 504 N ALA A 65 -6.332 32.410 14.604 1.00 22.04 N ATOM 505 CA ALA A 65 -7.187 31.548 13.801 1.00 20.03 C ATOM 506 C ALA A 65 -8.645 31.964 13.948 1.00 26.89 C ATOM 507 O ALA A 65 -9.018 32.685 14.874 1.00 26.18 O ATOM 508 CB ALA A 65 -7.013 30.077 14.197 1.00 24.03 C ATOM 0 H ALA A 65 -6.702 32.701 15.324 1.00 22.04 H new ATOM 0 HA ALA A 65 -6.924 31.644 12.872 1.00 20.03 H new ATOM 0 HB1 ALA A 65 -7.592 29.524 13.649 1.00 24.03 H new ATOM 0 HB2 ALA A 65 -6.090 29.812 14.061 1.00 24.03 H new ATOM 0 HB3 ALA A 65 -7.247 29.963 15.131 1.00 24.03 H new ATOM 509 N GLN A 66 -9.462 31.499 13.015 1.00 27.94 N ATOM 510 CA GLN A 66 -10.871 31.843 12.969 1.00 30.50 C ATOM 511 C GLN A 66 -11.665 30.706 13.593 1.00 42.36 C ATOM 512 O GLN A 66 -11.489 29.549 13.207 1.00 44.89 O ATOM 513 CB GLN A 66 -11.286 32.001 11.514 1.00 34.66 C ATOM 514 CG GLN A 66 -11.931 33.324 11.161 1.00 40.71 C ATOM 515 CD GLN A 66 -12.270 33.417 9.681 1.00 39.12 C ATOM 516 OE1 GLN A 66 -11.716 32.683 8.855 1.00 33.49 O ATOM 517 NE2 GLN A 66 -13.182 34.321 9.339 1.00 42.84 N ATOM 0 H GLN A 66 -9.211 30.970 12.385 1.00 27.94 H new ATOM 0 HA GLN A 66 -11.036 32.668 13.451 1.00 30.50 H new ATOM 0 HB2 GLN A 66 -10.502 31.882 10.955 1.00 34.66 H new ATOM 0 HB3 GLN A 66 -11.904 31.288 11.291 1.00 34.66 H new ATOM 0 HG2 GLN A 66 -12.739 33.439 11.685 1.00 40.71 H new ATOM 0 HG3 GLN A 66 -11.333 34.049 11.401 1.00 40.71 H new ATOM 0 HE21 GLN A 66 -13.546 34.814 9.942 1.00 42.84 H new ATOM 0 HE22 GLN A 66 -13.408 34.413 8.514 1.00 42.84 H new ATOM 518 N ASP A 67 -12.525 31.012 14.564 1.00 37.65 N ATOM 519 CA ASP A 67 -13.424 29.982 15.078 1.00 46.93 C ATOM 520 C ASP A 67 -14.575 29.753 14.102 1.00 49.95 C ATOM 521 O ASP A 67 -14.662 30.421 13.067 1.00 39.30 O ATOM 522 CB ASP A 67 -13.919 30.273 16.504 1.00 47.11 C ATOM 523 CG ASP A 67 -14.699 31.567 16.618 1.00 47.26 C ATOM 524 OD1 ASP A 67 -14.726 32.116 17.742 1.00 44.57 O ATOM 525 OD2 ASP A 67 -15.286 32.029 15.610 1.00 45.82 O ATOM 0 H ASP A 67 -12.603 31.787 14.929 1.00 37.65 H new ATOM 0 HA ASP A 67 -12.915 29.159 15.148 1.00 46.93 H new ATOM 0 HB2 ASP A 67 -14.479 29.539 16.801 1.00 47.11 H new ATOM 0 HB3 ASP A 67 -13.157 30.309 17.103 1.00 47.11 H new ATOM 526 N ASP A 68 -15.459 28.816 14.427 1.00 57.21 N ATOM 527 CA ASP A 68 -16.487 28.414 13.469 1.00 66.77 C ATOM 528 C ASP A 68 -17.572 29.469 13.220 1.00 61.62 C ATOM 529 O ASP A 68 -18.482 29.246 12.427 1.00 68.79 O ATOM 530 CB ASP A 68 -17.072 27.044 13.830 1.00 65.65 C ATOM 531 CG ASP A 68 -16.168 25.895 13.389 1.00 76.95 C ATOM 532 OD1 ASP A 68 -15.783 25.862 12.197 1.00 64.97 O ATOM 533 OD2 ASP A 68 -15.828 25.036 14.233 1.00 77.85 O ATOM 0 H ASP A 68 -15.483 28.406 15.183 1.00 57.21 H new ATOM 0 HA ASP A 68 -16.035 28.333 12.615 1.00 66.77 H new ATOM 0 HB2 ASP A 68 -17.209 26.995 14.789 1.00 65.65 H new ATOM 0 HB3 ASP A 68 -17.943 26.946 13.414 1.00 65.65 H new ATOM 534 N LYS A 69 -17.450 30.621 13.877 1.00 62.66 N ATOM 535 CA LYS A 69 -18.324 31.764 13.618 1.00 56.17 C ATOM 536 C LYS A 69 -17.583 32.906 12.916 1.00 62.14 C ATOM 537 O LYS A 69 -18.068 34.040 12.880 1.00 60.01 O ATOM 538 CB LYS A 69 -18.949 32.267 14.921 1.00 64.29 C ATOM 539 CG LYS A 69 -19.896 31.273 15.576 1.00 78.24 C ATOM 540 CD LYS A 69 -21.045 30.901 14.639 1.00 85.21 C ATOM 541 CE LYS A 69 -21.918 29.797 15.227 1.00 87.31 C ATOM 542 NZ LYS A 69 -23.003 29.385 14.288 1.00 81.12 N ATOM 0 H LYS A 69 -16.858 30.762 14.485 1.00 62.66 H new ATOM 0 HA LYS A 69 -19.026 31.459 13.023 1.00 56.17 H new ATOM 0 HB2 LYS A 69 -18.240 32.485 15.546 1.00 64.29 H new ATOM 0 HB3 LYS A 69 -19.431 33.089 14.741 1.00 64.29 H new ATOM 0 HG2 LYS A 69 -19.407 30.473 15.825 1.00 78.24 H new ATOM 0 HG3 LYS A 69 -20.253 31.654 16.394 1.00 78.24 H new ATOM 0 HD2 LYS A 69 -21.588 31.686 14.466 1.00 85.21 H new ATOM 0 HD3 LYS A 69 -20.686 30.610 13.786 1.00 85.21 H new ATOM 0 HE2 LYS A 69 -21.366 29.028 15.440 1.00 87.31 H new ATOM 0 HE3 LYS A 69 -22.310 30.104 16.059 1.00 87.31 H new ATOM 0 HZ1 LYS A 69 -23.491 28.742 14.662 1.00 81.12 H new ATOM 0 HZ2 LYS A 69 -23.523 30.085 14.109 1.00 81.12 H new ATOM 0 HZ3 LYS A 69 -22.643 29.082 13.532 1.00 81.12 H new ATOM 543 N GLY A 70 -16.405 32.606 12.372 1.00 55.18 N ATOM 544 CA GLY A 70 -15.623 33.581 11.629 1.00 51.19 C ATOM 545 C GLY A 70 -14.921 34.628 12.481 1.00 49.57 C ATOM 546 O GLY A 70 -14.438 35.640 11.967 1.00 46.42 O ATOM 0 H GLY A 70 -16.039 31.829 12.426 1.00 55.18 H new ATOM 0 HA2 GLY A 70 -14.956 33.109 11.106 1.00 51.19 H new ATOM 0 HA3 GLY A 70 -16.208 34.034 11.001 1.00 51.19 H new ATOM 547 N GLN A 71 -14.859 34.386 13.785 1.00 41.62 N ATOM 548 CA GLN A 71 -14.244 35.334 14.702 1.00 41.57 C ATOM 549 C GLN A 71 -12.764 35.001 14.864 1.00 36.62 C ATOM 550 O GLN A 71 -12.406 33.836 15.057 1.00 33.91 O ATOM 551 CB GLN A 71 -14.959 35.299 16.056 1.00 42.05 C ATOM 552 CG GLN A 71 -14.611 36.443 16.990 1.00 53.09 C ATOM 553 CD GLN A 71 -15.217 37.769 16.549 1.00 68.63 C ATOM 554 OE1 GLN A 71 -14.796 38.839 17.002 1.00 67.26 O ATOM 555 NE2 GLN A 71 -16.213 37.705 15.667 1.00 67.72 N ATOM 0 H GLN A 71 -15.168 33.676 14.159 1.00 41.62 H new ATOM 0 HA GLN A 71 -14.325 36.230 14.340 1.00 41.57 H new ATOM 0 HB2 GLN A 71 -15.917 35.304 15.902 1.00 42.05 H new ATOM 0 HB3 GLN A 71 -14.747 34.462 16.498 1.00 42.05 H new ATOM 0 HG2 GLN A 71 -14.922 36.231 17.884 1.00 53.09 H new ATOM 0 HG3 GLN A 71 -13.646 36.533 17.039 1.00 53.09 H new ATOM 0 HE21 GLN A 71 -16.479 36.942 15.374 1.00 67.72 H new ATOM 0 HE22 GLN A 71 -16.590 38.427 15.391 1.00 67.72 H new ATOM 556 N TRP A 72 -11.917 36.026 14.773 1.00 27.73 N ATOM 557 CA TRP A 72 -10.460 35.867 14.844 1.00 27.76 C ATOM 558 C TRP A 72 -9.889 36.119 16.244 1.00 27.70 C ATOM 559 O TRP A 72 -10.491 36.825 17.050 1.00 32.57 O ATOM 560 CB TRP A 72 -9.781 36.846 13.885 1.00 17.54 C ATOM 561 CG TRP A 72 -9.840 36.483 12.434 1.00 24.16 C ATOM 562 CD1 TRP A 72 -10.721 36.955 11.504 1.00 22.33 C ATOM 563 CD2 TRP A 72 -8.958 35.594 11.735 1.00 22.80 C ATOM 564 NE1 TRP A 72 -10.443 36.415 10.272 1.00 24.86 N ATOM 565 CE2 TRP A 72 -9.369 35.573 10.388 1.00 25.85 C ATOM 566 CE3 TRP A 72 -7.865 34.809 12.120 1.00 19.05 C ATOM 567 CZ2 TRP A 72 -8.726 34.804 9.425 1.00 24.29 C ATOM 568 CZ3 TRP A 72 -7.229 34.052 11.170 1.00 24.93 C ATOM 569 CH2 TRP A 72 -7.659 34.054 9.830 1.00 25.83 C ATOM 0 H TRP A 72 -12.172 36.841 14.667 1.00 27.73 H new ATOM 0 HA TRP A 72 -10.282 34.944 14.604 1.00 27.76 H new ATOM 0 HB2 TRP A 72 -10.188 37.719 13.999 1.00 17.54 H new ATOM 0 HB3 TRP A 72 -8.850 36.931 14.142 1.00 17.54 H new ATOM 0 HD1 TRP A 72 -11.410 37.555 11.679 1.00 22.33 H new ATOM 0 HE1 TRP A 72 -10.873 36.579 9.546 1.00 24.86 H new ATOM 0 HE3 TRP A 72 -7.576 34.801 13.004 1.00 19.05 H new ATOM 0 HZ2 TRP A 72 -9.011 34.800 8.540 1.00 24.29 H new ATOM 0 HZ3 TRP A 72 -6.501 33.528 11.415 1.00 24.93 H new ATOM 0 HH2 TRP A 72 -7.207 33.533 9.206 1.00 25.83 H new ATOM 570 N ASN A 73 -8.708 35.569 16.511 1.00 25.87 N ATOM 571 CA ASN A 73 -7.989 35.845 17.756 1.00 23.93 C ATOM 572 C ASN A 73 -6.486 36.080 17.526 1.00 26.36 C ATOM 573 O ASN A 73 -6.038 36.213 16.388 1.00 23.68 O ATOM 574 CB ASN A 73 -8.213 34.723 18.777 1.00 19.21 C ATOM 575 CG ASN A 73 -7.731 33.371 18.277 1.00 26.21 C ATOM 576 OD1 ASN A 73 -6.969 33.278 17.305 1.00 20.43 O ATOM 577 ND2 ASN A 73 -8.174 32.310 18.944 1.00 22.43 N ATOM 0 H ASN A 73 -8.301 35.028 15.980 1.00 25.87 H new ATOM 0 HA ASN A 73 -8.354 36.669 18.115 1.00 23.93 H new ATOM 0 HB2 ASN A 73 -7.750 34.943 19.601 1.00 19.21 H new ATOM 0 HB3 ASN A 73 -9.158 34.667 18.989 1.00 19.21 H new ATOM 0 HD21 ASN A 73 -7.932 31.520 18.705 1.00 22.43 H new ATOM 0 HD22 ASN A 73 -8.702 32.413 19.615 1.00 22.43 H new ATOM 578 N GLY A 74 -5.714 36.136 18.608 1.00 22.56 N ATOM 579 CA GLY A 74 -4.271 36.252 18.499 1.00 19.20 C ATOM 580 C GLY A 74 -3.824 37.561 17.867 1.00 23.97 C ATOM 581 O GLY A 74 -4.546 38.554 17.900 1.00 22.90 O ATOM 0 H GLY A 74 -6.011 36.108 19.415 1.00 22.56 H new ATOM 0 HA2 GLY A 74 -3.878 36.175 19.382 1.00 19.20 H new ATOM 0 HA3 GLY A 74 -3.931 35.512 17.972 1.00 19.20 H new ATOM 582 N MET A 75 -2.633 37.549 17.276 1.00 16.26 N ATOM 583 CA MET A 75 -2.082 38.717 16.619 1.00 15.73 C ATOM 584 C MET A 75 -2.919 39.125 15.410 1.00 17.08 C ATOM 585 O MET A 75 -3.029 40.305 15.093 1.00 16.11 O ATOM 586 CB MET A 75 -0.627 38.458 16.192 1.00 17.38 C ATOM 587 CG MET A 75 0.365 38.324 17.358 1.00 18.08 C ATOM 588 SD MET A 75 2.099 38.238 16.841 1.00 18.80 S ATOM 589 CE MET A 75 2.142 36.621 16.072 1.00 11.11 C ATOM 0 H MET A 75 -2.123 36.857 17.247 1.00 16.26 H new ATOM 0 HA MET A 75 -2.100 39.448 17.256 1.00 15.73 H new ATOM 0 HB2 MET A 75 -0.597 37.646 15.662 1.00 17.38 H new ATOM 0 HB3 MET A 75 -0.337 39.183 15.617 1.00 17.38 H new ATOM 0 HG2 MET A 75 0.252 39.080 17.956 1.00 18.08 H new ATOM 0 HG3 MET A 75 0.148 37.526 17.865 1.00 18.08 H new ATOM 0 HE1 MET A 75 2.737 36.041 16.572 1.00 11.11 H new ATOM 0 HE2 MET A 75 1.249 36.241 16.067 1.00 11.11 H new ATOM 0 HE3 MET A 75 2.463 36.704 15.160 1.00 11.11 H new ATOM 590 N VAL A 76 -3.508 38.146 14.737 1.00 16.43 N ATOM 591 CA VAL A 76 -4.330 38.451 13.583 1.00 20.40 C ATOM 592 C VAL A 76 -5.484 39.367 13.991 1.00 20.26 C ATOM 593 O VAL A 76 -5.779 40.349 13.303 1.00 20.02 O ATOM 594 CB VAL A 76 -4.851 37.175 12.898 1.00 16.51 C ATOM 595 CG1 VAL A 76 -5.826 37.540 11.787 1.00 16.75 C ATOM 596 CG2 VAL A 76 -3.690 36.367 12.347 1.00 15.71 C ATOM 0 H VAL A 76 -3.445 37.310 14.930 1.00 16.43 H new ATOM 0 HA VAL A 76 -3.777 38.914 12.934 1.00 20.40 H new ATOM 0 HB VAL A 76 -5.319 36.633 13.552 1.00 16.51 H new ATOM 0 HG11 VAL A 76 -6.149 36.731 11.361 1.00 16.75 H new ATOM 0 HG12 VAL A 76 -6.575 38.029 12.162 1.00 16.75 H new ATOM 0 HG13 VAL A 76 -5.376 38.093 11.130 1.00 16.75 H new ATOM 0 HG21 VAL A 76 -4.028 35.566 11.918 1.00 15.71 H new ATOM 0 HG22 VAL A 76 -3.203 36.900 11.699 1.00 15.71 H new ATOM 0 HG23 VAL A 76 -3.095 36.119 13.072 1.00 15.71 H new ATOM 597 N LYS A 77 -6.098 39.064 15.136 1.00 18.88 N ATOM 598 CA LYS A 77 -7.183 39.886 15.675 1.00 19.30 C ATOM 599 C LYS A 77 -6.716 41.298 16.036 1.00 25.70 C ATOM 600 O LYS A 77 -7.421 42.271 15.760 1.00 26.11 O ATOM 601 CB LYS A 77 -7.797 39.209 16.903 1.00 28.38 C ATOM 602 CG LYS A 77 -8.944 39.966 17.553 1.00 29.14 C ATOM 603 CD LYS A 77 -10.064 40.234 16.565 1.00 36.05 C ATOM 604 CE LYS A 77 -11.344 40.639 17.285 1.00 38.12 C ATOM 605 NZ LYS A 77 -12.231 41.430 16.400 1.00 30.38 N ATOM 0 H LYS A 77 -5.899 38.381 15.619 1.00 18.88 H new ATOM 0 HA LYS A 77 -7.853 39.970 14.979 1.00 19.30 H new ATOM 0 HB2 LYS A 77 -8.114 38.329 16.645 1.00 28.38 H new ATOM 0 HB3 LYS A 77 -7.100 39.077 17.564 1.00 28.38 H new ATOM 0 HG2 LYS A 77 -9.287 39.454 18.302 1.00 29.14 H new ATOM 0 HG3 LYS A 77 -8.617 40.807 17.910 1.00 29.14 H new ATOM 0 HD2 LYS A 77 -9.798 40.937 15.952 1.00 36.05 H new ATOM 0 HD3 LYS A 77 -10.226 39.440 16.032 1.00 36.05 H new ATOM 0 HE2 LYS A 77 -11.811 39.845 17.590 1.00 38.12 H new ATOM 0 HE3 LYS A 77 -11.124 41.159 18.074 1.00 38.12 H new ATOM 0 HZ1 LYS A 77 -13.039 41.493 16.768 1.00 30.38 H new ATOM 0 HZ2 LYS A 77 -11.891 42.245 16.290 1.00 30.38 H new ATOM 0 HZ3 LYS A 77 -12.297 41.028 15.609 1.00 30.38 H new ATOM 606 N GLU A 78 -5.535 41.398 16.659 1.00 22.60 N ATOM 607 CA GLU A 78 -4.942 42.685 17.012 1.00 19.12 C ATOM 608 C GLU A 78 -4.810 43.581 15.782 1.00 20.98 C ATOM 609 O GLU A 78 -5.084 44.777 15.836 1.00 16.92 O ATOM 610 CB GLU A 78 -3.564 42.489 17.631 1.00 18.35 C ATOM 611 CG GLU A 78 -3.572 41.730 18.945 1.00 31.00 C ATOM 612 CD GLU A 78 -4.318 42.468 20.039 1.00 33.85 C ATOM 613 OE1 GLU A 78 -3.827 43.531 20.489 1.00 36.32 O ATOM 614 OE2 GLU A 78 -5.400 41.987 20.444 1.00 37.75 O ATOM 0 H GLU A 78 -5.059 40.719 16.887 1.00 22.60 H new ATOM 0 HA GLU A 78 -5.530 43.110 17.656 1.00 19.12 H new ATOM 0 HB2 GLU A 78 -3.002 42.015 16.999 1.00 18.35 H new ATOM 0 HB3 GLU A 78 -3.159 43.359 17.774 1.00 18.35 H new ATOM 0 HG2 GLU A 78 -3.980 40.860 18.810 1.00 31.00 H new ATOM 0 HG3 GLU A 78 -2.658 41.574 19.230 1.00 31.00 H new ATOM 615 N LEU A 79 -4.384 42.991 14.672 1.00 20.17 N ATOM 616 CA LEU A 79 -4.260 43.741 13.428 1.00 25.54 C ATOM 617 C LEU A 79 -5.646 44.105 12.867 1.00 22.41 C ATOM 618 O LEU A 79 -5.876 45.235 12.442 1.00 22.74 O ATOM 619 CB LEU A 79 -3.443 42.957 12.393 1.00 15.09 C ATOM 620 CG LEU A 79 -1.976 42.679 12.723 1.00 18.09 C ATOM 621 CD1 LEU A 79 -1.348 41.818 11.626 1.00 17.64 C ATOM 622 CD2 LEU A 79 -1.191 43.970 12.911 1.00 12.95 C ATOM 0 H LEU A 79 -4.163 42.162 14.617 1.00 20.17 H new ATOM 0 HA LEU A 79 -3.787 44.565 13.622 1.00 25.54 H new ATOM 0 HB2 LEU A 79 -3.884 42.106 12.245 1.00 15.09 H new ATOM 0 HB3 LEU A 79 -3.475 43.443 11.554 1.00 15.09 H new ATOM 0 HG LEU A 79 -1.942 42.195 13.563 1.00 18.09 H new ATOM 0 HD11 LEU A 79 -0.418 41.646 11.842 1.00 17.64 H new ATOM 0 HD12 LEU A 79 -1.826 40.976 11.562 1.00 17.64 H new ATOM 0 HD13 LEU A 79 -1.401 42.285 10.778 1.00 17.64 H new ATOM 0 HD21 LEU A 79 -0.267 43.760 13.119 1.00 12.95 H new ATOM 0 HD22 LEU A 79 -1.228 44.493 12.095 1.00 12.95 H new ATOM 0 HD23 LEU A 79 -1.577 44.481 13.639 1.00 12.95 H new ATOM 623 N ILE A 80 -6.562 43.143 12.874 1.00 22.23 N ATOM 624 CA ILE A 80 -7.921 43.393 12.399 1.00 24.61 C ATOM 625 C ILE A 80 -8.571 44.577 13.108 1.00 25.76 C ATOM 626 O ILE A 80 -9.139 45.444 12.452 1.00 24.11 O ATOM 627 CB ILE A 80 -8.805 42.164 12.564 1.00 18.68 C ATOM 628 CG1 ILE A 80 -8.439 41.111 11.525 1.00 23.52 C ATOM 629 CG2 ILE A 80 -10.277 42.525 12.417 1.00 23.94 C ATOM 630 CD1 ILE A 80 -9.146 39.811 11.756 1.00 21.58 C ATOM 0 H ILE A 80 -6.419 42.341 13.149 1.00 22.23 H new ATOM 0 HA ILE A 80 -7.841 43.605 11.456 1.00 24.61 H new ATOM 0 HB ILE A 80 -8.658 41.809 13.455 1.00 18.68 H new ATOM 0 HG12 ILE A 80 -8.659 41.443 10.640 1.00 23.52 H new ATOM 0 HG13 ILE A 80 -7.481 40.963 11.542 1.00 23.52 H new ATOM 0 HG21 ILE A 80 -10.818 41.728 12.526 1.00 23.94 H new ATOM 0 HG22 ILE A 80 -10.520 43.175 13.094 1.00 23.94 H new ATOM 0 HG23 ILE A 80 -10.431 42.902 11.537 1.00 23.94 H new ATOM 0 HD11 ILE A 80 -8.883 39.174 11.073 1.00 21.58 H new ATOM 0 HD12 ILE A 80 -8.908 39.464 12.630 1.00 21.58 H new ATOM 0 HD13 ILE A 80 -10.105 39.952 11.714 1.00 21.58 H new ATOM 631 N ASP A 81 -8.461 44.612 14.438 1.00 23.73 N ATOM 632 CA ASP A 81 -9.044 45.683 15.252 1.00 25.42 C ATOM 633 C ASP A 81 -8.202 46.950 15.232 1.00 25.06 C ATOM 634 O ASP A 81 -8.518 47.905 15.930 1.00 32.36 O ATOM 635 CB ASP A 81 -9.198 45.248 16.718 1.00 27.27 C ATOM 636 CG ASP A 81 -10.210 44.132 16.906 1.00 25.92 C ATOM 637 OD1 ASP A 81 -11.116 43.986 16.064 1.00 39.22 O ATOM 638 OD2 ASP A 81 -10.099 43.402 17.911 1.00 36.68 O ATOM 0 H ASP A 81 -8.045 44.014 14.895 1.00 23.73 H new ATOM 0 HA ASP A 81 -9.911 45.867 14.859 1.00 25.42 H new ATOM 0 HB2 ASP A 81 -8.337 44.956 17.055 1.00 27.27 H new ATOM 0 HB3 ASP A 81 -9.466 46.013 17.250 1.00 27.27 H new ATOM 639 N HIS A 82 -7.120 46.946 14.459 1.00 21.88 N ATOM 640 CA HIS A 82 -6.191 48.070 14.428 1.00 23.56 C ATOM 641 C HIS A 82 -5.644 48.460 15.810 1.00 26.22 C ATOM 642 O HIS A 82 -5.417 49.640 16.083 1.00 24.95 O ATOM 643 CB HIS A 82 -6.835 49.291 13.778 1.00 28.71 C ATOM 644 CG HIS A 82 -7.089 49.140 12.315 1.00 26.74 C ATOM 645 ND1 HIS A 82 -6.444 49.905 11.367 1.00 32.51 N ATOM 646 CD2 HIS A 82 -7.928 48.323 11.634 1.00 28.11 C ATOM 647 CE1 HIS A 82 -6.869 49.562 10.163 1.00 29.26 C ATOM 648 NE2 HIS A 82 -7.768 48.601 10.298 1.00 34.44 N ATOM 0 H HIS A 82 -6.905 46.295 13.940 1.00 21.88 H new ATOM 0 HA HIS A 82 -5.438 47.766 13.898 1.00 23.56 H new ATOM 0 HB2 HIS A 82 -7.676 49.478 14.225 1.00 28.71 H new ATOM 0 HB3 HIS A 82 -6.262 50.061 13.919 1.00 28.71 H new ATOM 0 HD1 HIS A 82 -5.857 50.511 11.533 1.00 32.51 H new ATOM 0 HD2 HIS A 82 -8.504 47.692 12.002 1.00 28.11 H new ATOM 0 HE1 HIS A 82 -6.585 49.933 9.359 1.00 29.26 H new ATOM 649 N LYS A 83 -5.420 47.473 16.672 1.00 22.03 N ATOM 650 CA LYS A 83 -4.763 47.724 17.951 1.00 27.46 C ATOM 651 C LYS A 83 -3.241 47.693 17.815 1.00 26.63 C ATOM 652 O LYS A 83 -2.518 48.087 18.722 1.00 30.35 O ATOM 653 CB LYS A 83 -5.247 46.738 19.013 1.00 26.51 C ATOM 654 CG LYS A 83 -6.743 46.877 19.280 1.00 29.88 C ATOM 655 CD LYS A 83 -7.233 45.901 20.335 1.00 47.61 C ATOM 656 CE LYS A 83 -8.754 45.911 20.438 1.00 33.08 C ATOM 657 NZ LYS A 83 -9.214 45.108 21.606 1.00 55.98 N ATOM 0 H LYS A 83 -5.640 46.653 16.536 1.00 22.03 H new ATOM 0 HA LYS A 83 -5.007 48.617 18.239 1.00 27.46 H new ATOM 0 HB2 LYS A 83 -5.053 45.832 18.725 1.00 26.51 H new ATOM 0 HB3 LYS A 83 -4.757 46.885 19.837 1.00 26.51 H new ATOM 0 HG2 LYS A 83 -6.935 47.783 19.567 1.00 29.88 H new ATOM 0 HG3 LYS A 83 -7.232 46.731 18.455 1.00 29.88 H new ATOM 0 HD2 LYS A 83 -6.928 45.006 20.117 1.00 47.61 H new ATOM 0 HD3 LYS A 83 -6.847 46.131 21.195 1.00 47.61 H new ATOM 0 HE2 LYS A 83 -9.070 46.824 20.524 1.00 33.08 H new ATOM 0 HE3 LYS A 83 -9.139 45.553 19.623 1.00 33.08 H new ATOM 0 HZ1 LYS A 83 -10.103 45.127 21.648 1.00 55.98 H new ATOM 0 HZ2 LYS A 83 -8.939 44.266 21.515 1.00 55.98 H new ATOM 0 HZ3 LYS A 83 -8.875 45.451 22.354 1.00 55.98 H new ATOM 658 N ALA A 84 -2.757 47.230 16.671 1.00 19.61 N ATOM 659 CA ALA A 84 -1.329 47.289 16.394 1.00 23.77 C ATOM 660 C ALA A 84 -1.133 47.673 14.937 1.00 18.05 C ATOM 661 O ALA A 84 -1.989 47.409 14.100 1.00 22.30 O ATOM 662 CB ALA A 84 -0.656 45.958 16.699 1.00 13.65 C ATOM 0 H ALA A 84 -3.233 46.880 16.046 1.00 19.61 H new ATOM 0 HA ALA A 84 -0.917 47.955 16.966 1.00 23.77 H new ATOM 0 HB1 ALA A 84 0.293 46.023 16.507 1.00 13.65 H new ATOM 0 HB2 ALA A 84 -0.781 45.739 17.636 1.00 13.65 H new ATOM 0 HB3 ALA A 84 -1.050 45.263 16.149 1.00 13.65 H new ATOM 663 N ASP A 85 -0.013 48.312 14.644 1.00 13.34 N ATOM 664 CA ASP A 85 0.301 48.697 13.280 1.00 19.40 C ATOM 665 C ASP A 85 1.029 47.569 12.565 1.00 18.91 C ATOM 666 O ASP A 85 0.879 47.381 11.359 1.00 18.70 O ATOM 667 CB ASP A 85 1.141 49.976 13.275 1.00 15.31 C ATOM 668 CG ASP A 85 0.386 51.160 13.858 1.00 21.05 C ATOM 669 OD1 ASP A 85 -0.552 51.629 13.185 1.00 29.47 O ATOM 670 OD2 ASP A 85 0.719 51.614 14.979 1.00 21.68 O ATOM 0 H ASP A 85 0.582 48.533 15.224 1.00 13.34 H new ATOM 0 HA ASP A 85 -0.526 48.871 12.805 1.00 19.40 H new ATOM 0 HB2 ASP A 85 1.953 49.830 13.784 1.00 15.31 H new ATOM 0 HB3 ASP A 85 1.409 50.181 12.366 1.00 15.31 H new ATOM 671 N LEU A 86 1.811 46.809 13.321 1.00 14.13 N ATOM 672 CA LEU A 86 2.601 45.745 12.727 1.00 19.42 C ATOM 673 C LEU A 86 2.555 44.517 13.608 1.00 18.36 C ATOM 674 O LEU A 86 2.499 44.622 14.835 1.00 18.91 O ATOM 675 CB LEU A 86 4.067 46.177 12.564 1.00 14.80 C ATOM 676 CG LEU A 86 4.408 47.436 11.774 1.00 21.83 C ATOM 677 CD1 LEU A 86 5.927 47.647 11.812 1.00 15.72 C ATOM 678 CD2 LEU A 86 3.896 47.336 10.324 1.00 15.55 C ATOM 0 H LEU A 86 1.897 46.893 14.173 1.00 14.13 H new ATOM 0 HA LEU A 86 2.227 45.546 11.854 1.00 19.42 H new ATOM 0 HB2 LEU A 86 4.436 46.286 13.454 1.00 14.80 H new ATOM 0 HB3 LEU A 86 4.541 45.439 12.149 1.00 14.80 H new ATOM 0 HG LEU A 86 3.967 48.200 12.178 1.00 21.83 H new ATOM 0 HD11 LEU A 86 6.156 48.446 11.312 1.00 15.72 H new ATOM 0 HD12 LEU A 86 6.217 47.748 12.732 1.00 15.72 H new ATOM 0 HD13 LEU A 86 6.370 46.881 11.416 1.00 15.72 H new ATOM 0 HD21 LEU A 86 4.125 48.147 9.843 1.00 15.55 H new ATOM 0 HD22 LEU A 86 4.308 46.574 9.887 1.00 15.55 H new ATOM 0 HD23 LEU A 86 2.933 47.224 10.328 1.00 15.55 H new ATOM 679 N ALA A 87 2.591 43.349 12.981 1.00 18.54 N ATOM 680 CA ALA A 87 2.858 42.126 13.720 1.00 14.51 C ATOM 681 C ALA A 87 4.239 41.664 13.307 1.00 16.01 C ATOM 682 O ALA A 87 4.447 41.218 12.174 1.00 13.72 O ATOM 683 CB ALA A 87 1.816 41.049 13.429 1.00 10.59 C ATOM 0 H ALA A 87 2.465 43.244 12.137 1.00 18.54 H new ATOM 0 HA ALA A 87 2.813 42.292 14.675 1.00 14.51 H new ATOM 0 HB1 ALA A 87 2.025 40.250 13.938 1.00 10.59 H new ATOM 0 HB2 ALA A 87 0.937 41.372 13.682 1.00 10.59 H new ATOM 0 HB3 ALA A 87 1.822 40.840 12.482 1.00 10.59 H new ATOM 684 N VAL A 88 5.186 41.776 14.227 1.00 17.90 N ATOM 685 CA VAL A 88 6.556 41.390 13.928 1.00 15.04 C ATOM 686 C VAL A 88 6.887 40.129 14.700 1.00 21.23 C ATOM 687 O VAL A 88 7.133 40.159 15.914 1.00 19.84 O ATOM 688 CB VAL A 88 7.542 42.533 14.218 1.00 23.32 C ATOM 689 CG1 VAL A 88 8.968 42.125 13.827 1.00 19.83 C ATOM 690 CG2 VAL A 88 7.100 43.808 13.460 1.00 11.24 C ATOM 0 H VAL A 88 5.058 42.071 15.025 1.00 17.90 H new ATOM 0 HA VAL A 88 6.642 41.205 12.980 1.00 15.04 H new ATOM 0 HB VAL A 88 7.539 42.722 15.169 1.00 23.32 H new ATOM 0 HG11 VAL A 88 9.577 42.856 14.016 1.00 19.83 H new ATOM 0 HG12 VAL A 88 9.233 41.344 14.337 1.00 19.83 H new ATOM 0 HG13 VAL A 88 8.997 41.917 12.880 1.00 19.83 H new ATOM 0 HG21 VAL A 88 7.724 44.527 13.645 1.00 11.24 H new ATOM 0 HG22 VAL A 88 7.086 43.630 12.507 1.00 11.24 H new ATOM 0 HG23 VAL A 88 6.212 44.067 13.753 1.00 11.24 H new ATOM 691 N ALA A 89 6.880 39.017 13.972 1.00 21.13 N ATOM 692 CA ALA A 89 6.926 37.688 14.563 1.00 15.13 C ATOM 693 C ALA A 89 7.071 36.707 13.413 1.00 18.22 C ATOM 694 O ALA A 89 6.999 37.104 12.247 1.00 16.42 O ATOM 695 CB ALA A 89 5.622 37.419 15.329 1.00 12.19 C ATOM 0 H ALA A 89 6.848 39.015 13.113 1.00 21.13 H new ATOM 0 HA ALA A 89 7.663 37.601 15.187 1.00 15.13 H new ATOM 0 HB1 ALA A 89 5.654 36.533 15.722 1.00 12.19 H new ATOM 0 HB2 ALA A 89 5.517 38.080 16.031 1.00 12.19 H new ATOM 0 HB3 ALA A 89 4.870 37.474 14.718 1.00 12.19 H new ATOM 696 N PRO A 90 7.281 35.421 13.719 1.00 19.49 N ATOM 697 CA PRO A 90 7.205 34.483 12.593 1.00 16.19 C ATOM 698 C PRO A 90 5.736 34.182 12.261 1.00 14.61 C ATOM 699 O PRO A 90 5.207 33.122 12.571 1.00 13.80 O ATOM 700 CB PRO A 90 7.957 33.253 13.105 1.00 14.98 C ATOM 701 CG PRO A 90 7.817 33.328 14.612 1.00 17.60 C ATOM 702 CD PRO A 90 7.773 34.791 14.958 1.00 15.44 C ATOM 0 HA PRO A 90 7.590 34.819 11.768 1.00 16.19 H new ATOM 0 HB2 PRO A 90 7.575 32.433 12.754 1.00 14.98 H new ATOM 0 HB3 PRO A 90 8.888 33.270 12.835 1.00 14.98 H new ATOM 0 HG2 PRO A 90 7.010 32.878 14.908 1.00 17.60 H new ATOM 0 HG3 PRO A 90 8.563 32.891 15.051 1.00 17.60 H new ATOM 0 HD2 PRO A 90 7.181 34.964 15.706 1.00 15.44 H new ATOM 0 HD3 PRO A 90 8.649 35.126 15.206 1.00 15.44 H new ATOM 703 N LEU A 91 5.100 35.153 11.615 1.00 17.13 N ATOM 704 CA LEU A 91 3.695 35.095 11.275 1.00 15.59 C ATOM 705 C LEU A 91 3.519 34.621 9.843 1.00 15.86 C ATOM 706 O LEU A 91 3.823 35.336 8.872 1.00 13.76 O ATOM 707 CB LEU A 91 3.053 36.471 11.446 1.00 13.94 C ATOM 708 CG LEU A 91 1.532 36.508 11.251 1.00 13.73 C ATOM 709 CD1 LEU A 91 0.826 35.810 12.396 1.00 11.68 C ATOM 710 CD2 LEU A 91 1.075 37.933 11.145 1.00 10.66 C ATOM 0 H LEU A 91 5.486 35.877 11.359 1.00 17.13 H new ATOM 0 HA LEU A 91 3.260 34.466 11.871 1.00 15.59 H new ATOM 0 HB2 LEU A 91 3.259 36.801 12.335 1.00 13.94 H new ATOM 0 HB3 LEU A 91 3.461 37.084 10.814 1.00 13.94 H new ATOM 0 HG LEU A 91 1.309 36.039 10.432 1.00 13.73 H new ATOM 0 HD11 LEU A 91 -0.133 35.844 12.254 1.00 11.68 H new ATOM 0 HD12 LEU A 91 1.113 34.884 12.438 1.00 11.68 H new ATOM 0 HD13 LEU A 91 1.045 36.254 13.230 1.00 11.68 H new ATOM 0 HD21 LEU A 91 0.113 37.956 11.022 1.00 10.66 H new ATOM 0 HD22 LEU A 91 1.308 38.409 11.957 1.00 10.66 H new ATOM 0 HD23 LEU A 91 1.508 38.356 10.387 1.00 10.66 H new ATOM 711 N THR A 92 3.015 33.405 9.725 1.00 16.08 N ATOM 712 CA THR A 92 2.883 32.743 8.440 1.00 18.72 C ATOM 713 C THR A 92 1.871 33.429 7.528 1.00 15.03 C ATOM 714 O THR A 92 0.735 33.688 7.917 1.00 13.65 O ATOM 715 CB THR A 92 2.509 31.272 8.651 1.00 15.97 C ATOM 716 OG1 THR A 92 3.478 30.672 9.523 1.00 14.32 O ATOM 717 CG2 THR A 92 2.471 30.529 7.324 1.00 16.96 C ATOM 0 H THR A 92 2.738 32.937 10.391 1.00 16.08 H new ATOM 0 HA THR A 92 3.742 32.800 7.993 1.00 18.72 H new ATOM 0 HB THR A 92 1.626 31.219 9.048 1.00 15.97 H new ATOM 0 HG1 THR A 92 3.370 29.839 9.531 1.00 14.32 H new ATOM 0 HG21 THR A 92 2.233 29.602 7.479 1.00 16.96 H new ATOM 0 HG22 THR A 92 1.812 30.939 6.742 1.00 16.96 H new ATOM 0 HG23 THR A 92 3.344 30.572 6.904 1.00 16.96 H new ATOM 718 N ILE A 93 2.304 33.740 6.314 1.00 15.83 N ATOM 719 CA ILE A 93 1.418 34.305 5.305 1.00 14.93 C ATOM 720 C ILE A 93 0.540 33.169 4.786 1.00 21.62 C ATOM 721 O ILE A 93 1.055 32.163 4.298 1.00 19.00 O ATOM 722 CB ILE A 93 2.220 34.882 4.137 1.00 11.81 C ATOM 723 CG1 ILE A 93 3.094 36.044 4.618 1.00 17.51 C ATOM 724 CG2 ILE A 93 1.281 35.333 3.022 1.00 15.57 C ATOM 725 CD1 ILE A 93 4.276 36.364 3.700 1.00 11.88 C ATOM 0 H ILE A 93 3.116 33.630 6.052 1.00 15.83 H new ATOM 0 HA ILE A 93 0.890 35.020 5.694 1.00 14.93 H new ATOM 0 HB ILE A 93 2.801 34.191 3.783 1.00 11.81 H new ATOM 0 HG12 ILE A 93 2.541 36.836 4.705 1.00 17.51 H new ATOM 0 HG13 ILE A 93 3.432 35.836 5.503 1.00 17.51 H new ATOM 0 HG21 ILE A 93 1.801 35.696 2.288 1.00 15.57 H new ATOM 0 HG22 ILE A 93 0.764 34.575 2.707 1.00 15.57 H new ATOM 0 HG23 ILE A 93 0.680 36.015 3.361 1.00 15.57 H new ATOM 0 HD11 ILE A 93 4.780 37.107 4.068 1.00 11.88 H new ATOM 0 HD12 ILE A 93 4.851 35.586 3.630 1.00 11.88 H new ATOM 0 HD13 ILE A 93 3.947 36.602 2.819 1.00 11.88 H new ATOM 726 N THR A 94 -0.777 33.299 4.919 1.00 19.27 N ATOM 727 CA THR A 94 -1.667 32.250 4.419 1.00 17.23 C ATOM 728 C THR A 94 -2.859 32.836 3.706 1.00 20.58 C ATOM 729 O THR A 94 -3.206 34.006 3.889 1.00 21.13 O ATOM 730 CB THR A 94 -2.205 31.320 5.525 1.00 17.80 C ATOM 731 OG1 THR A 94 -3.160 32.030 6.331 1.00 20.90 O ATOM 732 CG2 THR A 94 -1.070 30.780 6.397 1.00 16.58 C ATOM 0 H THR A 94 -1.170 33.970 5.287 1.00 19.27 H new ATOM 0 HA THR A 94 -1.117 31.730 3.813 1.00 17.23 H new ATOM 0 HB THR A 94 -2.639 30.562 5.104 1.00 17.80 H new ATOM 0 HG1 THR A 94 -3.413 31.539 6.964 1.00 20.90 H new ATOM 0 HG21 THR A 94 -1.436 30.200 7.082 1.00 16.58 H new ATOM 0 HG22 THR A 94 -0.449 30.278 5.846 1.00 16.58 H new ATOM 0 HG23 THR A 94 -0.603 31.520 6.816 1.00 16.58 H new ATOM 733 N HIS A 95 -3.493 31.994 2.905 1.00 21.83 N ATOM 734 CA HIS A 95 -4.615 32.399 2.082 1.00 22.48 C ATOM 735 C HIS A 95 -5.781 32.830 2.973 1.00 20.59 C ATOM 736 O HIS A 95 -6.398 33.877 2.752 1.00 22.64 O ATOM 737 CB HIS A 95 -5.005 31.251 1.148 1.00 14.55 C ATOM 738 CG HIS A 95 -6.336 31.437 0.493 1.00 23.85 C ATOM 739 ND1 HIS A 95 -6.666 32.576 -0.210 1.00 23.44 N ATOM 740 CD2 HIS A 95 -7.424 30.629 0.438 1.00 18.77 C ATOM 741 CE1 HIS A 95 -7.900 32.461 -0.673 1.00 26.42 C ATOM 742 NE2 HIS A 95 -8.382 31.290 -0.291 1.00 25.58 N ATOM 0 H HIS A 95 -3.281 31.164 2.824 1.00 21.83 H new ATOM 0 HA HIS A 95 -4.368 33.159 1.533 1.00 22.48 H new ATOM 0 HB2 HIS A 95 -4.326 31.158 0.462 1.00 14.55 H new ATOM 0 HB3 HIS A 95 -5.014 30.423 1.653 1.00 14.55 H new ATOM 0 HD2 HIS A 95 -7.506 29.786 0.822 1.00 18.77 H new ATOM 0 HE1 HIS A 95 -8.352 33.096 -1.181 1.00 26.42 H new ATOM 0 HE2 HIS A 95 -9.168 30.991 -0.470 1.00 25.58 H new ATOM 743 N VAL A 96 -6.058 32.048 4.005 1.00 15.01 N ATOM 744 CA VAL A 96 -7.157 32.390 4.909 1.00 19.52 C ATOM 745 C VAL A 96 -6.914 33.725 5.640 1.00 20.09 C ATOM 746 O VAL A 96 -7.822 34.538 5.744 1.00 22.10 O ATOM 747 CB VAL A 96 -7.506 31.225 5.884 1.00 22.81 C ATOM 748 CG1 VAL A 96 -6.255 30.622 6.472 1.00 32.38 C ATOM 749 CG2 VAL A 96 -8.415 31.701 6.984 1.00 35.34 C ATOM 0 H VAL A 96 -5.633 31.326 4.202 1.00 15.01 H new ATOM 0 HA VAL A 96 -7.943 32.522 4.356 1.00 19.52 H new ATOM 0 HB VAL A 96 -7.968 30.542 5.374 1.00 22.81 H new ATOM 0 HG11 VAL A 96 -6.495 29.901 7.074 1.00 32.38 H new ATOM 0 HG12 VAL A 96 -5.697 30.275 5.759 1.00 32.38 H new ATOM 0 HG13 VAL A 96 -5.767 31.302 6.962 1.00 32.38 H new ATOM 0 HG21 VAL A 96 -8.619 30.962 7.578 1.00 35.34 H new ATOM 0 HG22 VAL A 96 -7.976 32.406 7.485 1.00 35.34 H new ATOM 0 HG23 VAL A 96 -9.237 32.043 6.599 1.00 35.34 H new ATOM 750 N ARG A 97 -5.685 33.972 6.096 1.00 18.55 N ATOM 751 CA ARG A 97 -5.363 35.236 6.766 1.00 16.38 C ATOM 752 C ARG A 97 -5.396 36.430 5.807 1.00 20.13 C ATOM 753 O ARG A 97 -5.740 37.539 6.204 1.00 19.10 O ATOM 754 CB ARG A 97 -4.000 35.159 7.464 1.00 16.05 C ATOM 755 CG ARG A 97 -3.917 34.092 8.551 1.00 15.69 C ATOM 756 CD ARG A 97 -2.577 34.119 9.275 1.00 14.47 C ATOM 757 NE ARG A 97 -2.610 33.328 10.505 1.00 16.79 N ATOM 758 CZ ARG A 97 -1.549 32.750 11.064 1.00 18.22 C ATOM 759 NH1 ARG A 97 -1.687 32.055 12.186 1.00 18.01 N ATOM 760 NH2 ARG A 97 -0.348 32.865 10.507 1.00 16.74 N ATOM 0 H ARG A 97 -5.025 33.424 6.028 1.00 18.55 H new ATOM 0 HA ARG A 97 -6.052 35.377 7.434 1.00 16.38 H new ATOM 0 HB2 ARG A 97 -3.316 34.983 6.799 1.00 16.05 H new ATOM 0 HB3 ARG A 97 -3.799 36.023 7.856 1.00 16.05 H new ATOM 0 HG2 ARG A 97 -4.633 34.227 9.192 1.00 15.69 H new ATOM 0 HG3 ARG A 97 -4.052 33.217 8.155 1.00 15.69 H new ATOM 0 HD2 ARG A 97 -1.885 33.776 8.688 1.00 14.47 H new ATOM 0 HD3 ARG A 97 -2.341 35.036 9.486 1.00 14.47 H new ATOM 0 HE ARG A 97 -3.370 33.229 10.895 1.00 16.79 H new ATOM 0 HH11 ARG A 97 -2.462 31.978 12.552 1.00 18.01 H new ATOM 0 HH12 ARG A 97 -1.002 31.681 12.547 1.00 18.01 H new ATOM 0 HH21 ARG A 97 -0.252 33.315 9.781 1.00 16.74 H new ATOM 0 HH22 ARG A 97 0.334 32.489 10.873 1.00 16.74 H new ATOM 761 N GLU A 98 -5.045 36.202 4.543 1.00 19.11 N ATOM 762 CA GLU A 98 -5.015 37.282 3.553 1.00 21.51 C ATOM 763 C GLU A 98 -6.413 37.769 3.205 1.00 19.98 C ATOM 764 O GLU A 98 -6.566 38.780 2.534 1.00 22.13 O ATOM 765 CB GLU A 98 -4.260 36.870 2.273 1.00 18.97 C ATOM 766 CG GLU A 98 -2.745 36.816 2.434 1.00 20.27 C ATOM 767 CD GLU A 98 -2.028 36.292 1.193 1.00 33.98 C ATOM 768 OE1 GLU A 98 -2.512 35.324 0.570 1.00 37.05 O ATOM 769 OE2 GLU A 98 -0.973 36.851 0.838 1.00 35.16 O ATOM 0 H GLU A 98 -4.821 35.430 4.237 1.00 19.11 H new ATOM 0 HA GLU A 98 -4.532 38.016 3.964 1.00 21.51 H new ATOM 0 HB2 GLU A 98 -4.577 35.998 1.989 1.00 18.97 H new ATOM 0 HB3 GLU A 98 -4.478 37.496 1.565 1.00 18.97 H new ATOM 0 HG2 GLU A 98 -2.415 37.705 2.640 1.00 20.27 H new ATOM 0 HG3 GLU A 98 -2.526 36.250 3.191 1.00 20.27 H new ATOM 770 N LYS A 99 -7.434 37.053 3.659 1.00 19.55 N ATOM 771 CA LYS A 99 -8.806 37.538 3.502 1.00 26.01 C ATOM 772 C LYS A 99 -9.118 38.652 4.498 1.00 23.56 C ATOM 773 O LYS A 99 -10.055 39.419 4.290 1.00 20.27 O ATOM 774 CB LYS A 99 -9.822 36.399 3.668 1.00 19.03 C ATOM 775 CG LYS A 99 -9.645 35.250 2.683 1.00 26.72 C ATOM 776 CD LYS A 99 -10.705 34.176 2.869 1.00 29.56 C ATOM 777 CE LYS A 99 -10.455 32.998 1.946 1.00 44.92 C ATOM 778 NZ LYS A 99 -11.456 31.901 2.137 1.00 52.76 N ATOM 0 H LYS A 99 -7.360 36.294 4.056 1.00 19.55 H new ATOM 0 HA LYS A 99 -8.880 37.894 2.603 1.00 26.01 H new ATOM 0 HB2 LYS A 99 -9.756 36.050 4.571 1.00 19.03 H new ATOM 0 HB3 LYS A 99 -10.716 36.761 3.569 1.00 19.03 H new ATOM 0 HG2 LYS A 99 -9.687 35.592 1.776 1.00 26.72 H new ATOM 0 HG3 LYS A 99 -8.765 34.859 2.798 1.00 26.72 H new ATOM 0 HD2 LYS A 99 -10.706 33.874 3.791 1.00 29.56 H new ATOM 0 HD3 LYS A 99 -11.583 34.549 2.692 1.00 29.56 H new ATOM 0 HE2 LYS A 99 -10.482 33.301 1.025 1.00 44.92 H new ATOM 0 HE3 LYS A 99 -9.563 32.650 2.104 1.00 44.92 H new ATOM 0 HZ1 LYS A 99 -11.274 31.232 1.579 1.00 52.76 H new ATOM 0 HZ2 LYS A 99 -11.417 31.606 2.976 1.00 52.76 H new ATOM 0 HZ3 LYS A 99 -12.273 32.212 1.970 1.00 52.76 H new ATOM 779 N ALA A 100 -8.342 38.735 5.579 1.00 18.11 N ATOM 780 CA ALA A 100 -8.626 39.698 6.661 1.00 20.88 C ATOM 781 C ALA A 100 -7.514 40.703 6.972 1.00 21.01 C ATOM 782 O ALA A 100 -7.786 41.816 7.422 1.00 20.03 O ATOM 783 CB ALA A 100 -9.040 38.972 7.946 1.00 19.82 C ATOM 0 H ALA A 100 -7.647 38.246 5.710 1.00 18.11 H new ATOM 0 HA ALA A 100 -9.359 40.229 6.312 1.00 20.88 H new ATOM 0 HB1 ALA A 100 -9.221 39.623 8.642 1.00 19.82 H new ATOM 0 HB2 ALA A 100 -9.839 38.447 7.779 1.00 19.82 H new ATOM 0 HB3 ALA A 100 -8.322 38.385 8.232 1.00 19.82 H new ATOM 784 N ILE A 101 -6.261 40.314 6.766 1.00 21.22 N ATOM 785 CA ILE A 101 -5.156 41.239 7.013 1.00 19.41 C ATOM 786 C ILE A 101 -4.162 41.232 5.850 1.00 20.59 C ATOM 787 O ILE A 101 -4.269 40.427 4.931 1.00 23.26 O ATOM 788 CB ILE A 101 -4.400 40.888 8.319 1.00 18.29 C ATOM 789 CG1 ILE A 101 -3.819 39.467 8.234 1.00 17.67 C ATOM 790 CG2 ILE A 101 -5.302 41.067 9.536 1.00 14.79 C ATOM 791 CD1 ILE A 101 -2.743 39.168 9.287 1.00 15.64 C ATOM 0 H ILE A 101 -6.029 39.534 6.488 1.00 21.22 H new ATOM 0 HA ILE A 101 -5.547 42.122 7.101 1.00 19.41 H new ATOM 0 HB ILE A 101 -3.657 41.503 8.425 1.00 18.29 H new ATOM 0 HG12 ILE A 101 -4.541 38.826 8.332 1.00 17.67 H new ATOM 0 HG13 ILE A 101 -3.440 39.335 7.351 1.00 17.67 H new ATOM 0 HG21 ILE A 101 -4.809 40.842 10.340 1.00 14.79 H new ATOM 0 HG22 ILE A 101 -5.599 41.989 9.586 1.00 14.79 H new ATOM 0 HG23 ILE A 101 -6.073 40.484 9.456 1.00 14.79 H new ATOM 0 HD11 ILE A 101 -2.423 38.259 9.174 1.00 15.64 H new ATOM 0 HD12 ILE A 101 -2.003 39.786 9.179 1.00 15.64 H new ATOM 0 HD13 ILE A 101 -3.121 39.269 10.174 1.00 15.64 H new ATOM 792 N AASP A 102 -3.191 42.135 5.906 0.47 19.75 N ATOM 793 N BASP A 102 -3.187 42.130 5.896 0.53 19.74 N ATOM 794 CA AASP A 102 -2.142 42.180 4.902 0.47 16.88 C ATOM 795 CA BASP A 102 -2.153 42.145 4.877 0.53 16.91 C ATOM 796 C AASP A 102 -0.785 41.774 5.484 0.47 18.18 C ATOM 797 C BASP A 102 -0.798 41.756 5.474 0.53 18.18 C ATOM 798 O AASP A 102 -0.608 41.725 6.701 0.47 18.44 O ATOM 799 O BASP A 102 -0.634 41.702 6.693 0.53 18.20 O ATOM 800 CB AASP A 102 -2.080 43.565 4.258 0.47 19.50 C ATOM 801 CB BASP A 102 -2.095 43.512 4.196 0.53 19.30 C ATOM 802 CG AASP A 102 -3.132 43.749 3.180 0.47 22.23 C ATOM 803 CG BASP A 102 -1.296 43.489 2.898 0.53 25.09 C ATOM 804 OD1AASP A 102 -3.689 42.730 2.714 0.47 22.76 O ATOM 805 OD1BASP A 102 -1.083 42.390 2.321 0.53 23.11 O ATOM 806 OD2AASP A 102 -3.403 44.905 2.791 0.47 26.03 O ATOM 807 OD2BASP A 102 -0.875 44.578 2.461 0.53 24.87 O ATOM 0 H AASP A 102 -3.123 42.732 6.521 0.47 19.74 H new ATOM 0 H BASP A 102 -3.107 42.733 6.504 0.53 19.74 H new ATOM 0 HA AASP A 102 -2.359 41.533 4.213 0.47 16.91 H new ATOM 0 HA BASP A 102 -2.374 41.486 4.201 0.53 16.91 H new ATOM 0 HB2AASP A 102 -2.199 44.243 4.942 0.47 19.30 H new ATOM 0 HB2BASP A 102 -2.997 43.815 4.011 0.53 19.30 H new ATOM 0 HB3AASP A 102 -1.200 43.701 3.874 0.47 19.30 H new ATOM 0 HB3BASP A 102 -1.699 44.156 4.804 0.53 19.30 H new ATOM 808 N PHE A 103 0.161 41.466 4.604 1.00 15.89 N ATOM 809 CA PHE A 103 1.493 41.063 5.010 1.00 16.17 C ATOM 810 C PHE A 103 2.498 41.742 4.105 1.00 18.80 C ATOM 811 O PHE A 103 2.229 41.956 2.931 1.00 20.54 O ATOM 812 CB PHE A 103 1.699 39.563 4.804 1.00 16.78 C ATOM 813 CG PHE A 103 0.839 38.691 5.664 1.00 15.38 C ATOM 814 CD1 PHE A 103 1.305 38.230 6.881 1.00 15.30 C ATOM 815 CD2 PHE A 103 -0.412 38.290 5.232 1.00 16.20 C ATOM 816 CE1 PHE A 103 0.526 37.400 7.668 1.00 16.95 C ATOM 817 CE2 PHE A 103 -1.195 37.463 6.011 1.00 16.48 C ATOM 818 CZ PHE A 103 -0.724 37.019 7.234 1.00 16.22 C ATOM 0 H APHE A 103 0.044 41.486 3.752 0.47 15.89 H new ATOM 0 H BPHE A 103 0.052 41.499 3.752 0.53 15.89 H new ATOM 0 HA PHE A 103 1.604 41.298 5.945 1.00 16.17 H new ATOM 0 HB2 PHE A 103 1.527 39.350 3.874 1.00 16.78 H new ATOM 0 HB3 PHE A 103 2.629 39.350 4.976 1.00 16.78 H new ATOM 0 HD1 PHE A 103 2.151 38.480 7.174 1.00 15.30 H new ATOM 0 HD2 PHE A 103 -0.729 38.581 4.407 1.00 16.20 H new ATOM 0 HE1 PHE A 103 0.846 37.100 8.488 1.00 16.95 H new ATOM 0 HE2 PHE A 103 -2.038 37.204 5.715 1.00 16.48 H new ATOM 0 HZ PHE A 103 -1.251 36.464 7.762 1.00 16.22 H new ATOM 819 N SER A 104 3.675 42.031 4.642 1.00 14.37 N ATOM 820 CA SER A 104 4.807 42.437 3.835 1.00 14.65 C ATOM 821 C SER A 104 5.137 41.279 2.929 1.00 12.53 C ATOM 822 O SER A 104 4.653 40.166 3.139 1.00 14.66 O ATOM 823 CB SER A 104 6.022 42.685 4.742 1.00 14.93 C ATOM 824 OG SER A 104 6.467 41.452 5.326 1.00 14.44 O ATOM 0 H SER A 104 3.837 41.996 5.486 1.00 14.37 H new ATOM 0 HA SER A 104 4.599 43.244 3.338 1.00 14.65 H new ATOM 0 HB2 SER A 104 6.741 43.085 4.228 1.00 14.93 H new ATOM 0 HB3 SER A 104 5.788 43.316 5.441 1.00 14.93 H new ATOM 0 HG SER A 104 6.934 41.030 4.769 1.00 14.44 H new ATOM 825 N LYS A 105 6.003 41.507 1.952 1.00 17.11 N ATOM 826 CA LYS A 105 6.588 40.386 1.216 1.00 15.49 C ATOM 827 C LYS A 105 7.256 39.440 2.235 1.00 16.75 C ATOM 828 O LYS A 105 7.629 39.862 3.328 1.00 19.24 O ATOM 829 CB LYS A 105 7.616 40.889 0.197 1.00 15.91 C ATOM 830 CG LYS A 105 8.991 41.159 0.789 1.00 16.22 C ATOM 831 CD LYS A 105 10.036 41.501 -0.279 1.00 22.32 C ATOM 832 CE LYS A 105 10.295 40.354 -1.242 1.00 23.41 C ATOM 833 NZ LYS A 105 11.085 39.218 -0.666 1.00 24.34 N ATOM 0 H LYS A 105 6.264 42.287 1.700 1.00 17.11 H new ATOM 0 HA LYS A 105 5.897 39.914 0.726 1.00 15.49 H new ATOM 0 HB2 LYS A 105 7.702 40.233 -0.512 1.00 15.91 H new ATOM 0 HB3 LYS A 105 7.283 41.704 -0.209 1.00 15.91 H new ATOM 0 HG2 LYS A 105 8.929 41.891 1.422 1.00 16.22 H new ATOM 0 HG3 LYS A 105 9.284 40.379 1.286 1.00 16.22 H new ATOM 0 HD2 LYS A 105 9.738 42.277 -0.780 1.00 22.32 H new ATOM 0 HD3 LYS A 105 10.868 41.746 0.156 1.00 22.32 H new ATOM 0 HE2 LYS A 105 9.443 40.013 -1.556 1.00 23.41 H new ATOM 0 HE3 LYS A 105 10.765 40.699 -2.017 1.00 23.41 H new ATOM 0 HZ1 LYS A 105 11.465 38.756 -1.325 1.00 24.34 H new ATOM 0 HZ2 LYS A 105 11.716 39.538 -0.126 1.00 24.34 H new ATOM 0 HZ3 LYS A 105 10.543 38.684 -0.204 1.00 24.34 H new ATOM 834 N PRO A 106 7.387 38.154 1.890 1.00 16.80 N ATOM 835 CA PRO A 106 8.022 37.175 2.779 1.00 13.37 C ATOM 836 C PRO A 106 9.460 37.519 3.190 1.00 16.27 C ATOM 837 O PRO A 106 10.276 37.893 2.339 1.00 14.35 O ATOM 838 CB PRO A 106 8.044 35.895 1.927 1.00 16.99 C ATOM 839 CG PRO A 106 6.989 36.085 0.908 1.00 15.03 C ATOM 840 CD PRO A 106 6.869 37.539 0.653 1.00 14.79 C ATOM 0 HA PRO A 106 7.535 37.119 3.616 1.00 13.37 H new ATOM 0 HB2 PRO A 106 8.911 35.765 1.513 1.00 16.99 H new ATOM 0 HB3 PRO A 106 7.869 35.110 2.470 1.00 16.99 H new ATOM 0 HG2 PRO A 106 7.215 35.613 0.091 1.00 15.03 H new ATOM 0 HG3 PRO A 106 6.145 35.723 1.220 1.00 15.03 H new ATOM 0 HD2 PRO A 106 7.385 37.809 -0.123 1.00 14.79 H new ATOM 0 HD3 PRO A 106 5.949 37.797 0.485 1.00 14.79 H new ATOM 841 N PHE A 107 9.785 37.363 4.472 1.00 13.54 N ATOM 842 CA PHE A 107 11.164 37.570 4.911 1.00 14.37 C ATOM 843 C PHE A 107 11.916 36.252 5.119 1.00 15.37 C ATOM 844 O PHE A 107 13.144 36.220 5.230 1.00 18.36 O ATOM 845 CB PHE A 107 11.281 38.559 6.108 1.00 13.86 C ATOM 846 CG PHE A 107 10.632 38.096 7.399 1.00 13.46 C ATOM 847 CD1 PHE A 107 11.299 37.237 8.264 1.00 13.98 C ATOM 848 CD2 PHE A 107 9.375 38.568 7.771 1.00 11.98 C ATOM 849 CE1 PHE A 107 10.713 36.830 9.480 1.00 13.64 C ATOM 850 CE2 PHE A 107 8.774 38.168 8.973 1.00 12.91 C ATOM 851 CZ PHE A 107 9.440 37.287 9.825 1.00 13.80 C ATOM 0 H PHE A 107 9.233 37.142 5.094 1.00 13.54 H new ATOM 0 HA PHE A 107 11.621 38.014 4.180 1.00 14.37 H new ATOM 0 HB2 PHE A 107 12.221 38.727 6.278 1.00 13.86 H new ATOM 0 HB3 PHE A 107 10.884 39.405 5.849 1.00 13.86 H new ATOM 0 HD1 PHE A 107 12.145 36.926 8.037 1.00 13.98 H new ATOM 0 HD2 PHE A 107 8.926 39.160 7.211 1.00 11.98 H new ATOM 0 HE1 PHE A 107 11.174 36.258 10.051 1.00 13.64 H new ATOM 0 HE2 PHE A 107 7.932 38.490 9.202 1.00 12.91 H new ATOM 0 HZ PHE A 107 9.039 37.007 10.616 1.00 13.80 H new ATOM 852 N MET A 108 11.172 35.157 5.113 1.00 14.28 N ATOM 853 CA MET A 108 11.757 33.840 5.339 1.00 14.45 C ATOM 854 C MET A 108 10.840 32.769 4.754 1.00 17.14 C ATOM 855 O MET A 108 9.609 32.891 4.795 1.00 15.71 O ATOM 856 CB MET A 108 11.979 33.597 6.847 1.00 16.62 C ATOM 857 CG MET A 108 12.710 32.294 7.189 1.00 18.20 C ATOM 858 SD MET A 108 13.015 32.063 8.965 1.00 19.91 S ATOM 859 CE MET A 108 14.228 33.335 9.271 1.00 17.10 C ATOM 0 H MET A 108 10.322 35.152 4.980 1.00 14.28 H new ATOM 0 HA MET A 108 12.620 33.796 4.898 1.00 14.45 H new ATOM 0 HB2 MET A 108 12.484 34.341 7.210 1.00 16.62 H new ATOM 0 HB3 MET A 108 11.117 33.595 7.292 1.00 16.62 H new ATOM 0 HG2 MET A 108 12.189 31.545 6.860 1.00 18.20 H new ATOM 0 HG3 MET A 108 13.559 32.277 6.719 1.00 18.20 H new ATOM 0 HE1 MET A 108 15.004 32.945 9.703 1.00 17.10 H new ATOM 0 HE2 MET A 108 14.495 33.737 8.430 1.00 17.10 H new ATOM 0 HE3 MET A 108 13.846 34.015 9.847 1.00 17.10 H new ATOM 860 N THR A 109 11.451 31.733 4.198 1.00 15.33 N ATOM 861 CA THR A 109 10.727 30.606 3.632 1.00 19.95 C ATOM 862 C THR A 109 10.781 29.431 4.594 1.00 21.57 C ATOM 863 O THR A 109 11.821 29.162 5.195 1.00 19.35 O ATOM 864 CB THR A 109 11.340 30.189 2.275 1.00 21.20 C ATOM 865 OG1 THR A 109 11.017 31.182 1.292 1.00 20.42 O ATOM 866 CG2 THR A 109 10.822 28.828 1.828 1.00 14.77 C ATOM 0 H THR A 109 12.306 31.664 4.138 1.00 15.33 H new ATOM 0 HA THR A 109 9.805 30.872 3.489 1.00 19.95 H new ATOM 0 HB THR A 109 12.302 30.120 2.376 1.00 21.20 H new ATOM 0 HG1 THR A 109 11.348 30.962 0.552 1.00 20.42 H new ATOM 0 HG21 THR A 109 11.222 28.593 0.976 1.00 14.77 H new ATOM 0 HG22 THR A 109 11.056 28.159 2.490 1.00 14.77 H new ATOM 0 HG23 THR A 109 9.857 28.864 1.732 1.00 14.77 H new ATOM 867 N LEU A 110 9.656 28.736 4.737 1.00 15.84 N ATOM 868 CA LEU A 110 9.571 27.588 5.615 1.00 17.31 C ATOM 869 C LEU A 110 8.497 26.634 5.107 1.00 21.75 C ATOM 870 O LEU A 110 7.724 26.964 4.208 1.00 19.06 O ATOM 871 CB LEU A 110 9.180 28.048 7.019 1.00 15.90 C ATOM 872 CG LEU A 110 7.797 28.675 6.890 1.00 19.17 C ATOM 873 CD1 LEU A 110 6.810 28.044 7.806 1.00 22.42 C ATOM 874 CD2 LEU A 110 7.839 30.181 7.048 1.00 17.90 C ATOM 0 H LEU A 110 8.924 28.921 4.325 1.00 15.84 H new ATOM 0 HA LEU A 110 10.432 27.141 5.635 1.00 17.31 H new ATOM 0 HB2 LEU A 110 9.165 27.301 7.637 1.00 15.90 H new ATOM 0 HB3 LEU A 110 9.820 28.689 7.365 1.00 15.90 H new ATOM 0 HG LEU A 110 7.492 28.497 5.986 1.00 19.17 H new ATOM 0 HD11 LEU A 110 5.946 28.470 7.694 1.00 22.42 H new ATOM 0 HD12 LEU A 110 6.734 27.099 7.599 1.00 22.42 H new ATOM 0 HD13 LEU A 110 7.106 28.151 8.724 1.00 22.42 H new ATOM 0 HD21 LEU A 110 6.943 30.541 6.960 1.00 17.90 H new ATOM 0 HD22 LEU A 110 8.192 30.405 7.923 1.00 17.90 H new ATOM 0 HD23 LEU A 110 8.409 30.563 6.362 1.00 17.90 H new ATOM 875 N GLY A 111 8.431 25.457 5.714 1.00 23.26 N ATOM 876 CA GLY A 111 7.342 24.534 5.459 1.00 20.37 C ATOM 877 C GLY A 111 7.026 23.748 6.710 1.00 18.45 C ATOM 878 O GLY A 111 7.836 23.677 7.634 1.00 19.71 O ATOM 0 H GLY A 111 9.013 25.174 6.281 1.00 23.26 H new ATOM 0 HA2 GLY A 111 6.556 25.022 5.168 1.00 20.37 H new ATOM 0 HA3 GLY A 111 7.583 23.929 4.740 1.00 20.37 H new ATOM 879 N VAL A 112 5.838 23.165 6.743 1.00 16.34 N ATOM 880 CA VAL A 112 5.425 22.332 7.859 1.00 19.90 C ATOM 881 C VAL A 112 6.127 20.987 7.770 1.00 20.38 C ATOM 882 O VAL A 112 6.170 20.369 6.707 1.00 22.35 O ATOM 883 CB VAL A 112 3.900 22.104 7.847 1.00 21.79 C ATOM 884 CG1 VAL A 112 3.515 20.977 8.809 1.00 19.30 C ATOM 885 CG2 VAL A 112 3.161 23.405 8.174 1.00 20.01 C ATOM 0 H VAL A 112 5.249 23.241 6.120 1.00 16.34 H new ATOM 0 HA VAL A 112 5.664 22.785 8.682 1.00 19.90 H new ATOM 0 HB VAL A 112 3.633 21.830 6.956 1.00 21.79 H new ATOM 0 HG11 VAL A 112 2.554 20.848 8.788 1.00 19.30 H new ATOM 0 HG12 VAL A 112 3.957 20.157 8.540 1.00 19.30 H new ATOM 0 HG13 VAL A 112 3.790 21.212 9.709 1.00 19.30 H new ATOM 0 HG21 VAL A 112 2.204 23.246 8.163 1.00 20.01 H new ATOM 0 HG22 VAL A 112 3.426 23.716 9.054 1.00 20.01 H new ATOM 0 HG23 VAL A 112 3.384 24.079 7.513 1.00 20.01 H new ATOM 886 N SER A 113 6.710 20.558 8.880 1.00 20.03 N ATOM 887 CA SER A 113 7.254 19.215 8.986 1.00 19.03 C ATOM 888 C SER A 113 6.982 18.631 10.374 1.00 21.69 C ATOM 889 O SER A 113 6.085 19.091 11.090 1.00 19.35 O ATOM 890 CB SER A 113 8.749 19.201 8.679 1.00 17.22 C ATOM 891 OG SER A 113 9.205 17.872 8.488 1.00 22.08 O ATOM 0 H SER A 113 6.801 21.035 9.590 1.00 20.03 H new ATOM 0 HA SER A 113 6.809 18.659 8.327 1.00 19.03 H new ATOM 0 HB2 SER A 113 8.926 19.727 7.883 1.00 17.22 H new ATOM 0 HB3 SER A 113 9.238 19.615 9.407 1.00 17.22 H new ATOM 0 HG SER A 113 9.073 17.642 7.691 1.00 22.08 H new ATOM 892 N ILE A 114 7.758 17.620 10.747 1.00 20.72 N ATOM 893 CA ILE A 114 7.479 16.856 11.953 1.00 20.49 C ATOM 894 C ILE A 114 8.669 16.867 12.898 1.00 22.03 C ATOM 895 O ILE A 114 9.805 16.594 12.489 1.00 19.19 O ATOM 896 CB ILE A 114 7.145 15.386 11.613 1.00 23.85 C ATOM 897 CG1 ILE A 114 5.934 15.300 10.690 1.00 26.17 C ATOM 898 CG2 ILE A 114 6.889 14.584 12.872 1.00 21.93 C ATOM 899 CD1 ILE A 114 5.743 13.917 10.074 1.00 27.46 C ATOM 0 H ILE A 114 8.453 17.361 10.313 1.00 20.72 H new ATOM 0 HA ILE A 114 6.717 17.276 12.382 1.00 20.49 H new ATOM 0 HB ILE A 114 7.913 15.010 11.154 1.00 23.85 H new ATOM 0 HG12 ILE A 114 5.137 15.538 11.189 1.00 26.17 H new ATOM 0 HG13 ILE A 114 6.029 15.953 9.980 1.00 26.17 H new ATOM 0 HG21 ILE A 114 6.682 13.667 12.635 1.00 21.93 H new ATOM 0 HG22 ILE A 114 7.680 14.602 13.434 1.00 21.93 H new ATOM 0 HG23 ILE A 114 6.141 14.969 13.355 1.00 21.93 H new ATOM 0 HD11 ILE A 114 4.961 13.924 9.500 1.00 27.46 H new ATOM 0 HD12 ILE A 114 6.526 13.685 9.551 1.00 27.46 H new ATOM 0 HD13 ILE A 114 5.620 13.263 10.779 1.00 27.46 H new ATOM 900 N LEU A 115 8.404 17.192 14.160 1.00 21.70 N ATOM 901 CA LEU A 115 9.415 17.122 15.206 1.00 21.98 C ATOM 902 C LEU A 115 9.174 15.910 16.105 1.00 27.91 C ATOM 903 O LEU A 115 8.063 15.729 16.622 1.00 26.36 O ATOM 904 CB LEU A 115 9.370 18.381 16.062 1.00 15.85 C ATOM 905 CG LEU A 115 10.402 18.444 17.194 1.00 20.82 C ATOM 906 CD1 LEU A 115 11.785 18.748 16.635 1.00 19.95 C ATOM 907 CD2 LEU A 115 10.010 19.453 18.281 1.00 20.67 C ATOM 0 H LEU A 115 7.633 17.459 14.432 1.00 21.70 H new ATOM 0 HA LEU A 115 10.283 17.042 14.780 1.00 21.98 H new ATOM 0 HB2 LEU A 115 9.498 19.151 15.485 1.00 15.85 H new ATOM 0 HB3 LEU A 115 8.484 18.460 16.448 1.00 15.85 H new ATOM 0 HG LEU A 115 10.424 17.572 17.618 1.00 20.82 H new ATOM 0 HD11 LEU A 115 12.427 18.785 17.361 1.00 19.95 H new ATOM 0 HD12 LEU A 115 12.043 18.051 16.011 1.00 19.95 H new ATOM 0 HD13 LEU A 115 11.768 19.602 16.176 1.00 19.95 H new ATOM 0 HD21 LEU A 115 10.688 19.461 18.975 1.00 20.67 H new ATOM 0 HD22 LEU A 115 9.938 20.338 17.890 1.00 20.67 H new ATOM 0 HD23 LEU A 115 9.157 19.199 18.666 1.00 20.67 H new ATOM 908 N TYR A 116 10.212 15.100 16.314 1.00 22.97 N ATOM 909 CA TYR A 116 10.102 13.919 17.176 1.00 31.82 C ATOM 910 C TYR A 116 11.466 13.443 17.675 1.00 30.09 C ATOM 911 O TYR A 116 12.495 13.850 17.145 1.00 29.18 O ATOM 912 CB TYR A 116 9.378 12.773 16.452 1.00 31.55 C ATOM 913 CG TYR A 116 8.888 11.702 17.405 1.00 44.40 C ATOM 914 CD1 TYR A 116 8.144 12.044 18.527 1.00 45.09 C ATOM 915 CD2 TYR A 116 9.175 10.358 17.198 1.00 45.62 C ATOM 916 CE1 TYR A 116 7.697 11.084 19.418 1.00 49.09 C ATOM 917 CE2 TYR A 116 8.724 9.383 18.088 1.00 45.02 C ATOM 918 CZ TYR A 116 7.986 9.755 19.196 1.00 55.29 C ATOM 919 OH TYR A 116 7.533 8.805 20.094 1.00 61.13 O ATOM 0 H TYR A 116 10.990 15.216 15.966 1.00 22.97 H new ATOM 0 HA TYR A 116 9.579 14.184 17.948 1.00 31.82 H new ATOM 0 HB2 TYR A 116 8.624 13.132 15.958 1.00 31.55 H new ATOM 0 HB3 TYR A 116 9.978 12.374 15.803 1.00 31.55 H new ATOM 0 HD1 TYR A 116 7.942 12.938 18.683 1.00 45.09 H new ATOM 0 HD2 TYR A 116 9.675 10.105 16.456 1.00 45.62 H new ATOM 0 HE1 TYR A 116 7.203 11.335 20.165 1.00 49.09 H new ATOM 0 HE2 TYR A 116 8.919 8.486 17.936 1.00 45.02 H new ATOM 0 HH TYR A 116 7.776 8.042 19.841 1.00 61.13 H new ATOM 920 N ARG A 117 11.471 12.588 18.695 1.00 30.39 N ATOM 921 CA ARG A 117 12.720 12.001 19.198 1.00 32.26 C ATOM 922 C ARG A 117 13.368 11.062 18.184 1.00 34.56 C ATOM 923 O ARG A 117 12.685 10.439 17.372 1.00 35.39 O ATOM 924 CB ARG A 117 12.494 11.242 20.509 1.00 39.40 C ATOM 925 CG ARG A 117 12.358 12.118 21.749 1.00 38.65 C ATOM 926 CD ARG A 117 12.439 11.276 23.032 1.00 44.90 C ATOM 927 NE ARG A 117 11.493 10.161 23.004 1.00 61.78 N ATOM 928 CZ ARG A 117 10.248 10.218 23.477 1.00 64.19 C ATOM 929 NH1 ARG A 117 9.797 11.338 24.028 1.00 52.85 N ATOM 930 NH2 ARG A 117 9.453 9.155 23.398 1.00 58.23 N ATOM 0 H ARG A 117 10.764 12.332 19.112 1.00 30.39 H new ATOM 0 HA ARG A 117 13.321 12.746 19.356 1.00 32.26 H new ATOM 0 HB2 ARG A 117 11.692 10.704 20.421 1.00 39.40 H new ATOM 0 HB3 ARG A 117 13.233 10.629 20.643 1.00 39.40 H new ATOM 0 HG2 ARG A 117 13.059 12.788 21.754 1.00 38.65 H new ATOM 0 HG3 ARG A 117 11.512 12.592 21.723 1.00 38.65 H new ATOM 0 HD2 ARG A 117 13.340 10.934 23.139 1.00 44.90 H new ATOM 0 HD3 ARG A 117 12.255 11.838 23.801 1.00 44.90 H new ATOM 0 HE ARG A 117 11.758 9.419 22.659 1.00 61.78 H new ATOM 0 HH11 ARG A 117 10.308 12.028 24.080 1.00 52.85 H new ATOM 0 HH12 ARG A 117 8.994 11.374 24.333 1.00 52.85 H new ATOM 0 HH21 ARG A 117 9.742 8.428 23.041 1.00 58.23 H new ATOM 0 HH22 ARG A 117 8.650 9.195 23.704 1.00 58.23 H new ATOM 931 N LYS A 118 14.692 10.961 18.233 1.00 33.96 N ATOM 932 CA LYS A 118 15.418 10.086 17.318 1.00 37.60 C ATOM 933 C LYS A 118 15.153 8.609 17.611 1.00 39.27 C ATOM 934 O LYS A 118 14.975 8.216 18.765 1.00 35.11 O ATOM 935 CB LYS A 118 16.921 10.374 17.375 1.00 29.65 C ATOM 936 CG LYS A 118 17.365 11.556 16.530 1.00 31.58 C ATOM 937 CD LYS A 118 18.814 11.926 16.809 1.00 34.76 C ATOM 938 CE LYS A 118 19.192 13.222 16.101 1.00 35.97 C ATOM 939 NZ LYS A 118 20.528 13.733 16.533 1.00 46.03 N ATOM 0 H LYS A 118 15.189 11.390 18.788 1.00 33.96 H new ATOM 0 HA LYS A 118 15.093 10.273 16.423 1.00 37.60 H new ATOM 0 HB2 LYS A 118 17.173 10.537 18.297 1.00 29.65 H new ATOM 0 HB3 LYS A 118 17.402 9.583 17.084 1.00 29.65 H new ATOM 0 HG2 LYS A 118 17.260 11.341 15.590 1.00 31.58 H new ATOM 0 HG3 LYS A 118 16.794 12.319 16.712 1.00 31.58 H new ATOM 0 HD2 LYS A 118 18.948 12.024 17.765 1.00 34.76 H new ATOM 0 HD3 LYS A 118 19.397 11.210 16.513 1.00 34.76 H new ATOM 0 HE2 LYS A 118 19.199 13.075 15.142 1.00 35.97 H new ATOM 0 HE3 LYS A 118 18.517 13.895 16.280 1.00 35.97 H new ATOM 0 HZ1 LYS A 118 20.777 14.401 16.001 1.00 46.03 H new ATOM 0 HZ2 LYS A 118 20.477 14.026 17.372 1.00 46.03 H new ATOM 0 HZ3 LYS A 118 21.127 13.077 16.484 1.00 46.03 H new ATOM 940 N GLY A 119 15.120 7.799 16.556 1.00 42.53 N ATOM 941 CA GLY A 119 15.039 6.354 16.704 1.00 56.95 C ATOM 942 C GLY A 119 13.657 5.745 16.570 1.00 55.66 C ATOM 943 O GLY A 119 13.329 4.763 17.238 1.00 62.09 O ATOM 0 H GLY A 119 15.144 8.072 15.741 1.00 42.53 H new ATOM 0 HA2 GLY A 119 15.618 5.946 16.041 1.00 56.95 H new ATOM 0 HA3 GLY A 119 15.394 6.116 17.575 1.00 56.95 H new ATOM 944 N THR A 120 12.843 6.332 15.704 1.00 62.17 N ATOM 945 CA THR A 120 11.511 5.817 15.432 1.00 54.64 C ATOM 946 C THR A 120 11.532 5.219 14.037 1.00 59.28 C ATOM 947 O THR A 120 12.253 5.702 13.161 1.00 59.24 O ATOM 948 CB THR A 120 10.469 6.948 15.464 1.00 55.59 C ATOM 949 OG1 THR A 120 10.802 7.876 16.501 1.00 64.10 O ATOM 950 CG2 THR A 120 9.084 6.405 15.717 1.00 57.81 C ATOM 0 H THR A 120 13.047 7.039 15.258 1.00 62.17 H new ATOM 0 HA THR A 120 11.272 5.160 16.104 1.00 54.64 H new ATOM 0 HB THR A 120 10.477 7.390 14.601 1.00 55.59 H new ATOM 0 HG1 THR A 120 10.133 8.353 16.676 1.00 64.10 H new ATOM 0 HG21 THR A 120 8.447 7.137 15.732 1.00 57.81 H new ATOM 0 HG22 THR A 120 8.846 5.784 15.011 1.00 57.81 H new ATOM 0 HG23 THR A 120 9.068 5.945 16.571 1.00 57.81 H new ATOM 951 N PRO A 121 10.757 4.152 13.818 1.00 60.87 N ATOM 952 CA PRO A 121 10.641 3.685 12.435 1.00 66.97 C ATOM 953 C PRO A 121 9.906 4.722 11.588 1.00 60.13 C ATOM 954 O PRO A 121 10.068 4.748 10.366 1.00 66.49 O ATOM 955 CB PRO A 121 9.804 2.407 12.566 1.00 61.73 C ATOM 956 CG PRO A 121 9.075 2.558 13.864 1.00 61.62 C ATOM 957 CD PRO A 121 10.025 3.290 14.760 1.00 60.35 C ATOM 0 HA PRO A 121 11.498 3.536 12.005 1.00 66.97 H new ATOM 0 HB2 PRO A 121 9.186 2.313 11.824 1.00 61.73 H new ATOM 0 HB3 PRO A 121 10.366 1.617 12.568 1.00 61.73 H new ATOM 0 HG2 PRO A 121 8.250 3.054 13.747 1.00 61.62 H new ATOM 0 HG3 PRO A 121 8.837 1.694 14.236 1.00 61.62 H new ATOM 0 HD2 PRO A 121 9.558 3.808 15.434 1.00 60.35 H new ATOM 0 HD3 PRO A 121 10.619 2.683 15.229 1.00 60.35 H new ATOM 958 N ILE A 122 9.118 5.566 12.249 1.00 51.36 N ATOM 959 CA ILE A 122 8.315 6.591 11.587 1.00 48.75 C ATOM 960 C ILE A 122 9.198 7.520 10.760 1.00 45.38 C ATOM 961 O ILE A 122 10.149 8.101 11.273 1.00 43.02 O ATOM 962 CB ILE A 122 7.483 7.398 12.613 1.00 49.29 C ATOM 963 CG1 ILE A 122 6.140 6.710 12.878 1.00 53.35 C ATOM 964 CG2 ILE A 122 7.215 8.805 12.114 1.00 49.32 C ATOM 965 CD1 ILE A 122 6.241 5.365 13.554 1.00 58.48 C ATOM 0 H ILE A 122 9.034 5.559 13.105 1.00 51.36 H new ATOM 0 HA ILE A 122 7.698 6.143 10.988 1.00 48.75 H new ATOM 0 HB ILE A 122 7.999 7.441 13.433 1.00 49.29 H new ATOM 0 HG12 ILE A 122 5.595 7.294 13.428 1.00 53.35 H new ATOM 0 HG13 ILE A 122 5.675 6.600 12.034 1.00 53.35 H new ATOM 0 HG21 ILE A 122 6.693 9.289 12.773 1.00 49.32 H new ATOM 0 HG22 ILE A 122 8.058 9.263 11.970 1.00 49.32 H new ATOM 0 HG23 ILE A 122 6.722 8.764 11.279 1.00 49.32 H new ATOM 0 HD11 ILE A 122 5.352 5.000 13.684 1.00 58.48 H new ATOM 0 HD12 ILE A 122 6.759 4.762 12.999 1.00 58.48 H new ATOM 0 HD13 ILE A 122 6.677 5.467 14.414 1.00 58.48 H new ATOM 966 N ASP A 123 8.895 7.640 9.472 1.00 42.84 N ATOM 967 CA ASP A 123 9.742 8.428 8.581 1.00 42.69 C ATOM 968 C ASP A 123 8.936 9.368 7.694 1.00 40.56 C ATOM 969 O ASP A 123 9.480 9.945 6.752 1.00 40.64 O ATOM 970 CB ASP A 123 10.611 7.511 7.711 1.00 53.11 C ATOM 971 CG ASP A 123 11.895 8.193 7.236 1.00 71.33 C ATOM 972 OD1 ASP A 123 12.908 8.138 7.969 1.00 75.61 O ATOM 973 OD2 ASP A 123 11.895 8.781 6.130 1.00 58.49 O ATOM 0 H ASP A 123 8.211 7.278 9.096 1.00 42.84 H new ATOM 0 HA ASP A 123 10.311 8.973 9.146 1.00 42.69 H new ATOM 0 HB2 ASP A 123 10.840 6.714 8.215 1.00 53.11 H new ATOM 0 HB3 ASP A 123 10.098 7.222 6.940 1.00 53.11 H new ATOM 974 N SER A 124 7.646 9.521 7.989 1.00 32.53 N ATOM 975 CA SER A 124 6.791 10.404 7.199 1.00 32.84 C ATOM 976 C SER A 124 5.474 10.673 7.910 1.00 32.06 C ATOM 977 O SER A 124 5.135 10.007 8.885 1.00 33.50 O ATOM 978 CB SER A 124 6.488 9.780 5.840 1.00 34.06 C ATOM 979 OG SER A 124 5.521 8.751 5.985 1.00 41.10 O ATOM 0 H SER A 124 7.248 9.124 8.640 1.00 32.53 H new ATOM 0 HA SER A 124 7.270 11.239 7.082 1.00 32.84 H new ATOM 0 HB2 SER A 124 6.160 10.459 5.229 1.00 34.06 H new ATOM 0 HB3 SER A 124 7.301 9.419 5.453 1.00 34.06 H new ATOM 0 HG SER A 124 5.643 8.166 5.394 1.00 41.10 H new ATOM 980 N ALA A 125 4.735 11.657 7.410 1.00 28.95 N ATOM 981 CA ALA A 125 3.399 11.944 7.908 1.00 27.57 C ATOM 982 C ALA A 125 2.489 10.725 7.723 1.00 33.57 C ATOM 983 O ALA A 125 1.667 10.426 8.592 1.00 30.17 O ATOM 984 CB ALA A 125 2.820 13.148 7.182 1.00 25.67 C ATOM 0 H ALA A 125 4.994 12.175 6.774 1.00 28.95 H new ATOM 0 HA ALA A 125 3.455 12.146 8.855 1.00 27.57 H new ATOM 0 HB1 ALA A 125 1.930 13.332 7.520 1.00 25.67 H new ATOM 0 HB2 ALA A 125 3.388 13.920 7.331 1.00 25.67 H new ATOM 0 HB3 ALA A 125 2.772 12.961 6.231 1.00 25.67 H new ATOM 985 N ASP A 126 2.638 10.045 6.581 1.00 30.28 N ATOM 986 CA ASP A 126 1.930 8.795 6.302 1.00 38.71 C ATOM 987 C ASP A 126 2.069 7.773 7.437 1.00 33.29 C ATOM 988 O ASP A 126 1.082 7.187 7.863 1.00 33.27 O ATOM 989 CB ASP A 126 2.393 8.188 4.967 1.00 40.49 C ATOM 990 CG ASP A 126 1.737 8.855 3.751 1.00 53.19 C ATOM 991 OD1 ASP A 126 0.597 9.348 3.882 1.00 55.71 O ATOM 992 OD2 ASP A 126 2.351 8.883 2.658 1.00 55.74 O ATOM 0 H ASP A 126 3.157 10.300 5.944 1.00 30.28 H new ATOM 0 HA ASP A 126 0.988 9.018 6.235 1.00 38.71 H new ATOM 0 HB2 ASP A 126 3.357 8.271 4.896 1.00 40.49 H new ATOM 0 HB3 ASP A 126 2.189 7.240 4.960 1.00 40.49 H new ATOM 993 N ASP A 127 3.286 7.585 7.943 1.00 36.25 N ATOM 994 CA ASP A 127 3.520 6.669 9.064 1.00 36.65 C ATOM 995 C ASP A 127 2.846 7.105 10.358 1.00 36.73 C ATOM 996 O ASP A 127 2.435 6.269 11.156 1.00 39.22 O ATOM 997 CB ASP A 127 5.010 6.509 9.336 1.00 40.10 C ATOM 998 CG ASP A 127 5.742 5.857 8.195 1.00 45.63 C ATOM 999 OD1 ASP A 127 5.066 5.287 7.309 1.00 49.32 O ATOM 1000 OD2 ASP A 127 6.992 5.907 8.195 1.00 44.58 O ATOM 0 H ASP A 127 3.993 7.979 7.652 1.00 36.25 H new ATOM 0 HA ASP A 127 3.127 5.826 8.788 1.00 36.65 H new ATOM 0 HB2 ASP A 127 5.399 7.381 9.509 1.00 40.10 H new ATOM 0 HB3 ASP A 127 5.133 5.979 10.139 1.00 40.10 H new ATOM 1001 N LEU A 128 2.764 8.411 10.579 1.00 31.41 N ATOM 1002 CA LEU A 128 2.143 8.937 11.786 1.00 30.94 C ATOM 1003 C LEU A 128 0.659 8.682 11.730 1.00 36.56 C ATOM 1004 O LEU A 128 0.057 8.223 12.704 1.00 36.76 O ATOM 1005 CB LEU A 128 2.355 10.447 11.898 1.00 29.73 C ATOM 1006 CG LEU A 128 3.519 11.008 12.699 1.00 34.59 C ATOM 1007 CD1 LEU A 128 3.440 12.536 12.682 1.00 35.06 C ATOM 1008 CD2 LEU A 128 3.506 10.480 14.125 1.00 30.11 C ATOM 0 H LEU A 128 3.063 9.011 10.040 1.00 31.41 H new ATOM 0 HA LEU A 128 2.547 8.497 12.550 1.00 30.94 H new ATOM 0 HB2 LEU A 128 2.437 10.792 10.995 1.00 29.73 H new ATOM 0 HB3 LEU A 128 1.543 10.823 12.273 1.00 29.73 H new ATOM 0 HG LEU A 128 4.353 10.723 12.295 1.00 34.59 H new ATOM 0 HD11 LEU A 128 4.179 12.904 13.191 1.00 35.06 H new ATOM 0 HD12 LEU A 128 3.489 12.853 11.766 1.00 35.06 H new ATOM 0 HD13 LEU A 128 2.602 12.821 13.078 1.00 35.06 H new ATOM 0 HD21 LEU A 128 4.256 10.851 14.615 1.00 30.11 H new ATOM 0 HD22 LEU A 128 2.678 10.739 14.559 1.00 30.11 H new ATOM 0 HD23 LEU A 128 3.576 9.513 14.113 1.00 30.11 H new ATOM 1009 N ALA A 129 0.086 8.996 10.571 1.00 33.14 N ATOM 1010 CA ALA A 129 -1.357 8.992 10.363 1.00 36.21 C ATOM 1011 C ALA A 129 -1.971 7.608 10.496 1.00 40.71 C ATOM 1012 O ALA A 129 -3.158 7.473 10.801 1.00 38.19 O ATOM 1013 CB ALA A 129 -1.685 9.576 8.994 1.00 31.45 C ATOM 0 H ALA A 129 0.534 9.221 9.872 1.00 33.14 H new ATOM 0 HA ALA A 129 -1.745 9.541 11.062 1.00 36.21 H new ATOM 0 HB1 ALA A 129 -2.646 9.571 8.861 1.00 31.45 H new ATOM 0 HB2 ALA A 129 -1.357 10.488 8.944 1.00 31.45 H new ATOM 0 HB3 ALA A 129 -1.261 9.042 8.304 1.00 31.45 H new ATOM 1014 N LYS A 130 -1.163 6.581 10.261 1.00 41.15 N ATOM 1015 CA LYS A 130 -1.677 5.222 10.242 1.00 46.16 C ATOM 1016 C LYS A 130 -1.429 4.484 11.554 1.00 46.65 C ATOM 1017 O LYS A 130 -1.495 3.257 11.604 1.00 53.39 O ATOM 1018 CB LYS A 130 -1.125 4.442 9.042 1.00 39.18 C ATOM 1019 CG LYS A 130 0.352 4.118 9.105 1.00 47.76 C ATOM 1020 CD LYS A 130 0.807 3.497 7.790 1.00 59.39 C ATOM 1021 CE LYS A 130 2.273 3.085 7.829 1.00 62.42 C ATOM 1022 NZ LYS A 130 2.737 2.610 6.489 1.00 57.60 N ATOM 0 H LYS A 130 -0.319 6.651 10.111 1.00 41.15 H new ATOM 0 HA LYS A 130 -2.640 5.285 10.142 1.00 46.16 H new ATOM 0 HB2 LYS A 130 -1.620 3.612 8.959 1.00 39.18 H new ATOM 0 HB3 LYS A 130 -1.294 4.955 8.236 1.00 39.18 H new ATOM 0 HG2 LYS A 130 0.860 4.925 9.283 1.00 47.76 H new ATOM 0 HG3 LYS A 130 0.525 3.506 9.837 1.00 47.76 H new ATOM 0 HD2 LYS A 130 0.259 2.721 7.593 1.00 59.39 H new ATOM 0 HD3 LYS A 130 0.669 4.131 7.069 1.00 59.39 H new ATOM 0 HE2 LYS A 130 2.815 3.837 8.114 1.00 62.42 H new ATOM 0 HE3 LYS A 130 2.396 2.381 8.485 1.00 62.42 H new ATOM 0 HZ1 LYS A 130 3.594 2.376 6.537 1.00 57.60 H new ATOM 0 HZ2 LYS A 130 2.251 1.908 6.238 1.00 57.60 H new ATOM 0 HZ3 LYS A 130 2.642 3.264 5.893 1.00 57.60 H new ATOM 1023 N GLN A 131 -1.155 5.240 12.614 1.00 46.55 N ATOM 1024 CA GLN A 131 -1.001 4.664 13.949 1.00 44.18 C ATOM 1025 C GLN A 131 -1.558 5.616 15.013 1.00 44.53 C ATOM 1026 O GLN A 131 -1.924 6.744 14.694 1.00 45.39 O ATOM 1027 CB GLN A 131 0.464 4.293 14.216 1.00 40.80 C ATOM 1028 CG GLN A 131 1.464 5.436 14.071 1.00 40.88 C ATOM 1029 CD GLN A 131 1.530 6.309 15.310 1.00 42.16 C ATOM 1030 OE1 GLN A 131 1.903 5.847 16.386 1.00 48.90 O ATOM 1031 NE2 GLN A 131 1.144 7.570 15.168 1.00 37.38 N ATOM 0 H GLN A 131 -1.054 6.093 12.582 1.00 46.55 H new ATOM 0 HA GLN A 131 -1.516 3.844 13.997 1.00 44.18 H new ATOM 0 HB2 GLN A 131 0.533 3.935 15.115 1.00 40.80 H new ATOM 0 HB3 GLN A 131 0.718 3.582 13.607 1.00 40.80 H new ATOM 0 HG2 GLN A 131 2.344 5.071 13.889 1.00 40.88 H new ATOM 0 HG3 GLN A 131 1.219 5.981 13.307 1.00 40.88 H new ATOM 0 HE21 GLN A 131 0.889 7.858 14.399 1.00 37.38 H new ATOM 0 HE22 GLN A 131 1.148 8.100 15.845 1.00 37.38 H new ATOM 1032 N THR A 132 -1.646 5.158 16.262 1.00 40.22 N ATOM 1033 CA THR A 132 -2.088 6.023 17.366 1.00 48.41 C ATOM 1034 C THR A 132 -1.203 5.904 18.610 1.00 49.57 C ATOM 1035 O THR A 132 -1.400 6.627 19.589 1.00 47.84 O ATOM 1036 CB THR A 132 -3.559 5.758 17.798 1.00 52.29 C ATOM 1037 OG1 THR A 132 -3.769 4.352 17.976 1.00 57.01 O ATOM 1038 CG2 THR A 132 -4.539 6.287 16.766 1.00 52.07 C ATOM 0 H THR A 132 -1.456 4.352 16.494 1.00 40.22 H new ATOM 0 HA THR A 132 -2.016 6.919 17.002 1.00 48.41 H new ATOM 0 HB THR A 132 -3.713 6.223 18.635 1.00 52.29 H new ATOM 0 HG1 THR A 132 -4.564 4.215 18.210 1.00 57.01 H new ATOM 0 HG21 THR A 132 -5.446 6.109 17.060 1.00 52.07 H new ATOM 0 HG22 THR A 132 -4.415 7.243 16.662 1.00 52.07 H new ATOM 0 HG23 THR A 132 -4.383 5.847 15.916 1.00 52.07 H new ATOM 1039 N LYS A 133 -0.252 4.977 18.571 1.00 46.59 N ATOM 1040 CA LYS A 133 0.697 4.798 19.660 1.00 49.34 C ATOM 1041 C LYS A 133 1.410 6.119 19.921 1.00 49.01 C ATOM 1042 O LYS A 133 1.350 6.684 21.018 1.00 39.84 O ATOM 1043 CB LYS A 133 1.712 3.718 19.287 1.00 52.04 C ATOM 1044 CG LYS A 133 2.839 3.538 20.292 1.00 65.92 C ATOM 1045 CD LYS A 133 3.861 2.522 19.794 1.00 76.31 C ATOM 1046 CE LYS A 133 5.025 2.376 20.766 1.00 83.14 C ATOM 1047 NZ LYS A 133 4.582 1.880 22.100 1.00 81.66 N ATOM 0 H LYS A 133 -0.140 4.435 17.913 1.00 46.59 H new ATOM 0 HA LYS A 133 0.228 4.521 20.462 1.00 49.34 H new ATOM 0 HB2 LYS A 133 1.246 2.873 19.186 1.00 52.04 H new ATOM 0 HB3 LYS A 133 2.096 3.935 18.423 1.00 52.04 H new ATOM 0 HG2 LYS A 133 3.275 4.390 20.449 1.00 65.92 H new ATOM 0 HG3 LYS A 133 2.475 3.245 21.142 1.00 65.92 H new ATOM 0 HD2 LYS A 133 3.430 1.662 19.672 1.00 76.31 H new ATOM 0 HD3 LYS A 133 4.196 2.797 18.926 1.00 76.31 H new ATOM 0 HE2 LYS A 133 5.679 1.763 20.395 1.00 83.14 H new ATOM 0 HE3 LYS A 133 5.467 3.233 20.871 1.00 83.14 H new ATOM 0 HZ1 LYS A 133 5.294 1.656 22.585 1.00 81.66 H new ATOM 0 HZ2 LYS A 133 4.127 2.520 22.519 1.00 81.66 H new ATOM 0 HZ3 LYS A 133 4.060 1.167 21.994 1.00 81.66 H new ATOM 1048 N ILE A 134 2.083 6.610 18.891 1.00 40.17 N ATOM 1049 CA ILE A 134 2.674 7.933 18.934 1.00 43.10 C ATOM 1050 C ILE A 134 1.584 8.974 18.725 1.00 35.75 C ATOM 1051 O ILE A 134 0.953 9.029 17.677 1.00 36.93 O ATOM 1052 CB ILE A 134 3.750 8.080 17.860 1.00 43.25 C ATOM 1053 CG1 ILE A 134 4.843 7.033 18.092 1.00 39.37 C ATOM 1054 CG2 ILE A 134 4.311 9.494 17.855 1.00 37.00 C ATOM 1055 CD1 ILE A 134 5.780 6.866 16.928 1.00 43.94 C ATOM 0 H ILE A 134 2.209 6.187 18.153 1.00 40.17 H new ATOM 0 HA ILE A 134 3.091 8.065 19.800 1.00 43.10 H new ATOM 0 HB ILE A 134 3.361 7.926 16.985 1.00 43.25 H new ATOM 0 HG12 ILE A 134 5.356 7.282 18.877 1.00 39.37 H new ATOM 0 HG13 ILE A 134 4.425 6.179 18.285 1.00 39.37 H new ATOM 0 HG21 ILE A 134 4.992 9.570 17.168 1.00 37.00 H new ATOM 0 HG22 ILE A 134 3.597 10.125 17.673 1.00 37.00 H new ATOM 0 HG23 ILE A 134 4.702 9.690 18.721 1.00 37.00 H new ATOM 0 HD11 ILE A 134 6.444 6.192 17.141 1.00 43.94 H new ATOM 0 HD12 ILE A 134 5.278 6.589 16.145 1.00 43.94 H new ATOM 0 HD13 ILE A 134 6.223 7.709 16.746 1.00 43.94 H new ATOM 1056 N GLU A 135 1.336 9.773 19.751 1.00 32.60 N ATOM 1057 CA GLU A 135 0.372 10.850 19.640 1.00 41.10 C ATOM 1058 C GLU A 135 0.999 11.971 18.807 1.00 39.17 C ATOM 1059 O GLU A 135 2.224 12.060 18.692 1.00 31.71 O ATOM 1060 CB GLU A 135 -0.023 11.344 21.035 1.00 40.25 C ATOM 1061 CG GLU A 135 -0.945 12.555 21.047 1.00 50.01 C ATOM 1062 CD GLU A 135 -1.518 12.839 22.415 1.00 56.79 C ATOM 1063 OE1 GLU A 135 -2.229 11.956 22.943 1.00 58.49 O ATOM 1064 OE2 GLU A 135 -1.258 13.940 22.959 1.00 55.29 O ATOM 0 H GLU A 135 1.716 9.707 20.520 1.00 32.60 H new ATOM 0 HA GLU A 135 -0.436 10.541 19.201 1.00 41.10 H new ATOM 0 HB2 GLU A 135 -0.457 10.618 21.510 1.00 40.25 H new ATOM 0 HB3 GLU A 135 0.784 11.563 21.527 1.00 40.25 H new ATOM 0 HG2 GLU A 135 -0.455 13.333 20.738 1.00 50.01 H new ATOM 0 HG3 GLU A 135 -1.671 12.410 20.420 1.00 50.01 H new ATOM 1065 N TYR A 136 0.167 12.805 18.198 1.00 31.36 N ATOM 1066 CA TYR A 136 0.680 13.937 17.452 1.00 26.38 C ATOM 1067 C TYR A 136 -0.271 15.130 17.456 1.00 33.88 C ATOM 1068 O TYR A 136 -1.485 14.979 17.627 1.00 38.94 O ATOM 1069 CB TYR A 136 1.029 13.523 16.028 1.00 28.08 C ATOM 1070 CG TYR A 136 -0.106 12.894 15.262 1.00 30.70 C ATOM 1071 CD1 TYR A 136 -1.008 13.677 14.558 1.00 28.32 C ATOM 1072 CD2 TYR A 136 -0.265 11.513 15.226 1.00 34.77 C ATOM 1073 CE1 TYR A 136 -2.041 13.105 13.842 1.00 33.91 C ATOM 1074 CE2 TYR A 136 -1.297 10.929 14.513 1.00 34.04 C ATOM 1075 CZ TYR A 136 -2.182 11.731 13.821 1.00 34.80 C ATOM 1076 OH TYR A 136 -3.210 11.165 13.104 1.00 36.87 O ATOM 0 H TYR A 136 -0.690 12.732 18.205 1.00 31.36 H new ATOM 0 HA TYR A 136 1.488 14.229 17.903 1.00 26.38 H new ATOM 0 HB2 TYR A 136 1.337 14.304 15.543 1.00 28.08 H new ATOM 0 HB3 TYR A 136 1.770 12.897 16.058 1.00 28.08 H new ATOM 0 HD1 TYR A 136 -0.916 14.602 14.568 1.00 28.32 H new ATOM 0 HD2 TYR A 136 0.333 10.972 15.689 1.00 34.77 H new ATOM 0 HE1 TYR A 136 -2.640 13.643 13.376 1.00 33.91 H new ATOM 0 HE2 TYR A 136 -1.394 10.004 14.500 1.00 34.04 H new ATOM 0 HH TYR A 136 -3.305 10.363 13.336 1.00 36.87 H new ATOM 1077 N GLY A 137 0.290 16.319 17.271 1.00 24.64 N ATOM 1078 CA GLY A 137 -0.513 17.524 17.245 1.00 28.46 C ATOM 1079 C GLY A 137 0.237 18.727 16.720 1.00 21.90 C ATOM 1080 O GLY A 137 1.231 18.593 15.997 1.00 25.42 O ATOM 0 H GLY A 137 1.133 16.445 17.159 1.00 24.64 H new ATOM 0 HA2 GLY A 137 -1.296 17.372 16.693 1.00 28.46 H new ATOM 0 HA3 GLY A 137 -0.830 17.714 18.142 1.00 28.46 H new ATOM 1081 N ALA A 138 -0.247 19.907 17.094 1.00 22.09 N ATOM 1082 CA ALA A 138 0.281 21.173 16.598 1.00 23.36 C ATOM 1083 C ALA A 138 -0.125 22.289 17.543 1.00 21.89 C ATOM 1084 O ALA A 138 -0.996 22.101 18.392 1.00 23.37 O ATOM 1085 CB ALA A 138 -0.257 21.463 15.178 1.00 24.46 C ATOM 0 H ALA A 138 -0.898 19.996 17.649 1.00 22.09 H new ATOM 0 HA ALA A 138 1.248 21.119 16.554 1.00 23.36 H new ATOM 0 HB1 ALA A 138 0.102 22.307 14.862 1.00 24.46 H new ATOM 0 HB2 ALA A 138 0.014 20.751 14.577 1.00 24.46 H new ATOM 0 HB3 ALA A 138 -1.225 21.513 15.203 1.00 24.46 H new ATOM 1086 N VAL A 139 0.509 23.447 17.392 1.00 20.76 N ATOM 1087 CA VAL A 139 0.156 24.629 18.168 1.00 20.13 C ATOM 1088 C VAL A 139 -1.279 25.013 17.840 1.00 25.44 C ATOM 1089 O VAL A 139 -1.673 25.050 16.670 1.00 22.83 O ATOM 1090 CB VAL A 139 1.119 25.815 17.878 1.00 20.78 C ATOM 1091 CG1 VAL A 139 0.543 27.131 18.367 1.00 15.41 C ATOM 1092 CG2 VAL A 139 2.510 25.553 18.488 1.00 18.17 C ATOM 0 H VAL A 139 1.155 23.569 16.838 1.00 20.76 H new ATOM 0 HA VAL A 139 0.239 24.423 19.112 1.00 20.13 H new ATOM 0 HB VAL A 139 1.222 25.885 16.916 1.00 20.78 H new ATOM 0 HG11 VAL A 139 1.165 27.849 18.172 1.00 15.41 H new ATOM 0 HG12 VAL A 139 -0.299 27.303 17.918 1.00 15.41 H new ATOM 0 HG13 VAL A 139 0.394 27.084 19.324 1.00 15.41 H new ATOM 0 HG21 VAL A 139 3.094 26.303 18.296 1.00 18.17 H new ATOM 0 HG22 VAL A 139 2.427 25.446 19.448 1.00 18.17 H new ATOM 0 HG23 VAL A 139 2.885 24.745 18.104 1.00 18.17 H new ATOM 1093 N LYS A 140 -2.063 25.270 18.880 1.00 20.80 N ATOM 1094 CA LYS A 140 -3.458 25.639 18.718 1.00 23.09 C ATOM 1095 C LYS A 140 -3.621 27.065 18.183 1.00 26.29 C ATOM 1096 O LYS A 140 -2.939 27.994 18.623 1.00 20.69 O ATOM 1097 CB LYS A 140 -4.188 25.491 20.055 1.00 26.30 C ATOM 1098 CG LYS A 140 -5.699 25.675 19.977 1.00 30.62 C ATOM 1099 CD LYS A 140 -6.350 25.204 21.269 1.00 42.56 C ATOM 1100 CE LYS A 140 -7.374 26.203 21.792 1.00 48.03 C ATOM 1101 NZ LYS A 140 -8.591 26.238 20.942 1.00 49.59 N ATOM 0 H LYS A 140 -1.799 25.235 19.698 1.00 20.80 H new ATOM 0 HA LYS A 140 -3.847 25.040 18.062 1.00 23.09 H new ATOM 0 HB2 LYS A 140 -4.000 24.611 20.417 1.00 26.30 H new ATOM 0 HB3 LYS A 140 -3.827 26.139 20.681 1.00 26.30 H new ATOM 0 HG2 LYS A 140 -5.911 26.609 19.821 1.00 30.62 H new ATOM 0 HG3 LYS A 140 -6.055 25.175 19.226 1.00 30.62 H new ATOM 0 HD2 LYS A 140 -6.782 24.349 21.119 1.00 42.56 H new ATOM 0 HD3 LYS A 140 -5.666 25.062 21.942 1.00 42.56 H new ATOM 0 HE2 LYS A 140 -7.620 25.969 22.701 1.00 48.03 H new ATOM 0 HE3 LYS A 140 -6.976 27.087 21.825 1.00 48.03 H new ATOM 0 HZ1 LYS A 140 -9.168 26.829 21.273 1.00 49.59 H new ATOM 0 HZ2 LYS A 140 -8.368 26.474 20.113 1.00 49.59 H new ATOM 0 HZ3 LYS A 140 -8.968 25.432 20.929 1.00 49.59 H new ATOM 1102 N ASP A 141 -4.524 27.213 17.217 1.00 22.58 N ATOM 1103 CA ASP A 141 -4.897 28.511 16.652 1.00 21.91 C ATOM 1104 C ASP A 141 -3.795 29.250 15.897 1.00 21.34 C ATOM 1105 O ASP A 141 -3.716 30.482 15.943 1.00 21.88 O ATOM 1106 CB ASP A 141 -5.541 29.416 17.707 1.00 25.04 C ATOM 1107 CG ASP A 141 -6.880 28.881 18.188 1.00 31.96 C ATOM 1108 OD1 ASP A 141 -7.466 28.024 17.486 1.00 31.52 O ATOM 1109 OD2 ASP A 141 -7.342 29.310 19.265 1.00 33.66 O ATOM 0 H ASP A 141 -4.945 26.551 16.864 1.00 22.58 H new ATOM 0 HA ASP A 141 -5.551 28.290 15.970 1.00 21.91 H new ATOM 0 HB2 ASP A 141 -4.940 29.505 18.463 1.00 25.04 H new ATOM 0 HB3 ASP A 141 -5.664 30.304 17.336 1.00 25.04 H new ATOM 1110 N GLY A 142 -2.962 28.486 15.197 1.00 21.25 N ATOM 1111 CA GLY A 142 -1.969 29.036 14.293 1.00 21.38 C ATOM 1112 C GLY A 142 -2.116 28.494 12.875 1.00 22.35 C ATOM 1113 O GLY A 142 -3.112 27.866 12.533 1.00 20.19 O ATOM 0 H GLY A 142 -2.960 27.627 15.236 1.00 21.25 H new ATOM 0 HA2 GLY A 142 -2.048 30.003 14.278 1.00 21.38 H new ATOM 0 HA3 GLY A 142 -1.082 28.830 14.626 1.00 21.38 H new ATOM 1114 N ALA A 143 -1.109 28.737 12.048 1.00 18.29 N ATOM 1115 CA ALA A 143 -1.159 28.360 10.642 1.00 20.77 C ATOM 1116 C ALA A 143 -1.132 26.845 10.429 1.00 18.39 C ATOM 1117 O ALA A 143 -1.781 26.326 9.529 1.00 20.30 O ATOM 1118 CB ALA A 143 -0.013 29.024 9.877 1.00 12.38 C ATOM 0 H ALA A 143 -0.378 29.124 12.284 1.00 18.29 H new ATOM 0 HA ALA A 143 -2.009 28.675 10.296 1.00 20.77 H new ATOM 0 HB1 ALA A 143 -0.055 28.767 8.943 1.00 12.38 H new ATOM 0 HB2 ALA A 143 -0.091 29.988 9.950 1.00 12.38 H new ATOM 0 HB3 ALA A 143 0.835 28.739 10.252 1.00 12.38 H new ATOM 1119 N THR A 144 -0.374 26.143 11.257 1.00 18.47 N ATOM 1120 CA THR A 144 -0.212 24.700 11.104 1.00 20.81 C ATOM 1121 C THR A 144 -1.519 23.960 11.377 1.00 20.70 C ATOM 1122 O THR A 144 -1.959 23.133 10.577 1.00 21.80 O ATOM 1123 CB THR A 144 0.899 24.187 12.025 1.00 21.38 C ATOM 1124 OG1 THR A 144 2.125 24.860 11.698 1.00 20.88 O ATOM 1125 CG2 THR A 144 1.081 22.695 11.858 1.00 18.97 C ATOM 0 H THR A 144 0.059 26.482 11.918 1.00 18.47 H new ATOM 0 HA THR A 144 0.039 24.525 10.184 1.00 20.81 H new ATOM 0 HB THR A 144 0.655 24.367 12.947 1.00 21.38 H new ATOM 0 HG1 THR A 144 2.432 25.232 12.385 1.00 20.88 H new ATOM 0 HG21 THR A 144 1.787 22.387 12.447 1.00 18.97 H new ATOM 0 HG22 THR A 144 0.253 22.241 12.081 1.00 18.97 H new ATOM 0 HG23 THR A 144 1.319 22.499 10.938 1.00 18.97 H new ATOM 1126 N MET A 145 -2.143 24.279 12.505 1.00 21.81 N ATOM 1127 CA MET A 145 -3.459 23.758 12.817 1.00 23.75 C ATOM 1128 C MET A 145 -4.427 24.017 11.662 1.00 27.13 C ATOM 1129 O MET A 145 -5.094 23.096 11.181 1.00 23.88 O ATOM 1130 CB MET A 145 -4.018 24.410 14.079 1.00 19.39 C ATOM 1131 CG MET A 145 -5.439 23.953 14.375 1.00 23.93 C ATOM 1132 SD MET A 145 -6.271 24.867 15.677 1.00 26.73 S ATOM 1133 CE MET A 145 -7.106 26.104 14.683 1.00 23.41 C ATOM 0 H MET A 145 -1.815 24.800 13.105 1.00 21.81 H new ATOM 0 HA MET A 145 -3.368 22.803 12.961 1.00 23.75 H new ATOM 0 HB2 MET A 145 -3.447 24.196 14.833 1.00 19.39 H new ATOM 0 HB3 MET A 145 -4.004 25.375 13.977 1.00 19.39 H new ATOM 0 HG2 MET A 145 -5.964 24.024 13.562 1.00 23.93 H new ATOM 0 HG3 MET A 145 -5.419 23.014 14.619 1.00 23.93 H new ATOM 0 HE1 MET A 145 -7.653 26.664 15.256 1.00 23.41 H new ATOM 0 HE2 MET A 145 -6.448 26.652 14.228 1.00 23.41 H new ATOM 0 HE3 MET A 145 -7.670 25.665 14.027 1.00 23.41 H new ATOM 1134 N THR A 146 -4.494 25.272 11.221 1.00 20.58 N ATOM 1135 CA THR A 146 -5.412 25.662 10.152 1.00 21.73 C ATOM 1136 C THR A 146 -5.157 24.865 8.855 1.00 24.98 C ATOM 1137 O THR A 146 -6.098 24.459 8.173 1.00 26.26 O ATOM 1138 CB THR A 146 -5.367 27.192 9.907 1.00 23.80 C ATOM 1139 OG1 THR A 146 -5.849 27.870 11.071 1.00 21.84 O ATOM 1140 CG2 THR A 146 -6.230 27.595 8.715 1.00 21.36 C ATOM 0 H THR A 146 -4.014 25.915 11.529 1.00 20.58 H new ATOM 0 HA THR A 146 -6.310 25.439 10.444 1.00 21.73 H new ATOM 0 HB THR A 146 -4.448 27.438 9.719 1.00 23.80 H new ATOM 0 HG1 THR A 146 -5.223 27.956 11.625 1.00 21.84 H new ATOM 0 HG21 THR A 146 -6.180 28.556 8.589 1.00 21.36 H new ATOM 0 HG22 THR A 146 -5.909 27.148 7.917 1.00 21.36 H new ATOM 0 HG23 THR A 146 -7.151 27.338 8.880 1.00 21.36 H new ATOM 1141 N PHE A 147 -3.888 24.624 8.535 1.00 19.92 N ATOM 1142 CA PHE A 147 -3.542 23.831 7.363 1.00 24.74 C ATOM 1143 C PHE A 147 -4.191 22.447 7.393 1.00 26.59 C ATOM 1144 O PHE A 147 -4.725 21.977 6.395 1.00 24.50 O ATOM 1145 CB PHE A 147 -2.028 23.644 7.263 1.00 23.79 C ATOM 1146 CG PHE A 147 -1.616 22.652 6.205 1.00 22.56 C ATOM 1147 CD1 PHE A 147 -1.535 23.033 4.871 1.00 28.41 C ATOM 1148 CD2 PHE A 147 -1.309 21.340 6.540 1.00 21.88 C ATOM 1149 CE1 PHE A 147 -1.160 22.119 3.883 1.00 28.00 C ATOM 1150 CE2 PHE A 147 -0.936 20.425 5.559 1.00 26.16 C ATOM 1151 CZ PHE A 147 -0.863 20.814 4.229 1.00 22.13 C ATOM 0 H PHE A 147 -3.214 24.911 8.985 1.00 19.92 H new ATOM 0 HA PHE A 147 -3.875 24.320 6.594 1.00 24.74 H new ATOM 0 HB2 PHE A 147 -1.615 24.501 7.072 1.00 23.79 H new ATOM 0 HB3 PHE A 147 -1.688 23.350 8.122 1.00 23.79 H new ATOM 0 HD1 PHE A 147 -1.733 23.910 4.632 1.00 28.41 H new ATOM 0 HD2 PHE A 147 -1.353 21.070 7.429 1.00 21.88 H new ATOM 0 HE1 PHE A 147 -1.110 22.388 2.994 1.00 28.00 H new ATOM 0 HE2 PHE A 147 -0.735 19.549 5.796 1.00 26.16 H new ATOM 0 HZ PHE A 147 -0.616 20.201 3.575 1.00 22.13 H new ATOM 1152 N PHE A 148 -4.105 21.787 8.540 1.00 26.62 N ATOM 1153 CA PHE A 148 -4.607 20.432 8.670 1.00 24.50 C ATOM 1154 C PHE A 148 -6.121 20.406 8.674 1.00 24.93 C ATOM 1155 O PHE A 148 -6.724 19.566 8.022 1.00 27.01 O ATOM 1156 CB PHE A 148 -4.040 19.752 9.915 1.00 17.59 C ATOM 1157 CG PHE A 148 -2.670 19.213 9.711 1.00 24.37 C ATOM 1158 CD1 PHE A 148 -1.562 19.937 10.107 1.00 23.59 C ATOM 1159 CD2 PHE A 148 -2.485 18.000 9.074 1.00 24.39 C ATOM 1160 CE1 PHE A 148 -0.303 19.455 9.897 1.00 23.48 C ATOM 1161 CE2 PHE A 148 -1.230 17.514 8.860 1.00 21.27 C ATOM 1162 CZ PHE A 148 -0.134 18.240 9.276 1.00 26.61 C ATOM 0 H PHE A 148 -3.757 22.110 9.257 1.00 26.62 H new ATOM 0 HA PHE A 148 -4.306 19.931 7.896 1.00 24.50 H new ATOM 0 HB2 PHE A 148 -4.026 20.389 10.647 1.00 17.59 H new ATOM 0 HB3 PHE A 148 -4.630 19.029 10.179 1.00 17.59 H new ATOM 0 HD1 PHE A 148 -1.676 20.762 10.521 1.00 23.59 H new ATOM 0 HD2 PHE A 148 -3.223 17.512 8.789 1.00 24.39 H new ATOM 0 HE1 PHE A 148 0.437 19.946 10.173 1.00 23.48 H new ATOM 0 HE2 PHE A 148 -1.113 16.695 8.435 1.00 21.27 H new ATOM 0 HZ PHE A 148 0.723 17.907 9.136 1.00 26.61 H new ATOM 1163 N LYS A 149 -6.717 21.342 9.399 1.00 21.86 N ATOM 1164 CA LYS A 149 -8.167 21.500 9.448 1.00 31.55 C ATOM 1165 C LYS A 149 -8.778 21.720 8.060 1.00 31.13 C ATOM 1166 O LYS A 149 -9.902 21.291 7.802 1.00 36.35 O ATOM 1167 CB LYS A 149 -8.528 22.654 10.390 1.00 25.55 C ATOM 1168 CG LYS A 149 -10.018 22.938 10.564 1.00 30.86 C ATOM 1169 CD LYS A 149 -10.221 23.928 11.724 1.00 33.97 C ATOM 1170 CE LYS A 149 -11.670 24.345 11.901 1.00 35.90 C ATOM 1171 NZ LYS A 149 -11.882 25.121 13.162 1.00 37.36 N ATOM 0 H LYS A 149 -6.289 21.910 9.882 1.00 21.86 H new ATOM 0 HA LYS A 149 -8.544 20.674 9.789 1.00 31.55 H new ATOM 0 HB2 LYS A 149 -8.149 22.466 11.263 1.00 25.55 H new ATOM 0 HB3 LYS A 149 -8.100 23.460 10.063 1.00 25.55 H new ATOM 0 HG2 LYS A 149 -10.385 23.306 9.745 1.00 30.86 H new ATOM 0 HG3 LYS A 149 -10.495 22.113 10.743 1.00 30.86 H new ATOM 0 HD2 LYS A 149 -9.903 23.524 12.547 1.00 33.97 H new ATOM 0 HD3 LYS A 149 -9.679 24.717 11.568 1.00 33.97 H new ATOM 0 HE2 LYS A 149 -11.946 24.882 11.142 1.00 35.90 H new ATOM 0 HE3 LYS A 149 -12.234 23.556 11.910 1.00 35.90 H new ATOM 0 HZ1 LYS A 149 -12.740 25.347 13.231 1.00 37.36 H new ATOM 0 HZ2 LYS A 149 -11.650 24.621 13.861 1.00 37.36 H new ATOM 0 HZ3 LYS A 149 -11.382 25.857 13.145 1.00 37.36 H new ATOM 1172 N LYS A 150 -8.035 22.362 7.164 1.00 27.08 N ATOM 1173 CA LYS A 150 -8.567 22.698 5.840 1.00 31.48 C ATOM 1174 C LYS A 150 -8.116 21.744 4.736 1.00 30.51 C ATOM 1175 O LYS A 150 -8.563 21.857 3.592 1.00 28.44 O ATOM 1176 CB LYS A 150 -8.184 24.131 5.439 1.00 33.41 C ATOM 1177 CG LYS A 150 -8.783 25.244 6.291 1.00 41.10 C ATOM 1178 CD LYS A 150 -10.297 25.274 6.197 1.00 54.39 C ATOM 1179 CE LYS A 150 -10.850 26.670 6.477 1.00 65.98 C ATOM 1180 NZ LYS A 150 -10.562 27.154 7.858 1.00 65.82 N ATOM 0 H LYS A 150 -7.223 22.612 7.299 1.00 27.08 H new ATOM 0 HA LYS A 150 -9.530 22.614 5.926 1.00 31.48 H new ATOM 0 HB2 LYS A 150 -7.218 24.209 5.469 1.00 33.41 H new ATOM 0 HB3 LYS A 150 -8.452 24.273 4.518 1.00 33.41 H new ATOM 0 HG2 LYS A 150 -8.519 25.121 7.216 1.00 41.10 H new ATOM 0 HG3 LYS A 150 -8.424 26.099 6.005 1.00 41.10 H new ATOM 0 HD2 LYS A 150 -10.573 24.987 5.312 1.00 54.39 H new ATOM 0 HD3 LYS A 150 -10.674 24.643 6.830 1.00 54.39 H new ATOM 0 HE2 LYS A 150 -10.473 27.294 5.837 1.00 65.98 H new ATOM 0 HE3 LYS A 150 -11.810 26.665 6.337 1.00 65.98 H new ATOM 0 HZ1 LYS A 150 -10.905 27.968 7.965 1.00 65.82 H new ATOM 0 HZ2 LYS A 150 -10.927 26.598 8.450 1.00 65.82 H new ATOM 0 HZ3 LYS A 150 -9.682 27.185 7.984 1.00 65.82 H new ATOM 1181 N SER A 151 -7.221 20.814 5.052 1.00 31.39 N ATOM 1182 CA SER A 151 -6.690 19.964 3.992 1.00 25.36 C ATOM 1183 C SER A 151 -7.721 18.937 3.528 1.00 29.29 C ATOM 1184 O SER A 151 -8.553 18.474 4.314 1.00 24.56 O ATOM 1185 CB SER A 151 -5.398 19.276 4.405 1.00 24.06 C ATOM 1186 OG SER A 151 -4.853 18.574 3.296 1.00 28.89 O ATOM 0 H SER A 151 -6.917 20.662 5.842 1.00 31.39 H new ATOM 0 HA SER A 151 -6.486 20.548 3.244 1.00 25.36 H new ATOM 0 HB2 SER A 151 -4.761 19.932 4.728 1.00 24.06 H new ATOM 0 HB3 SER A 151 -5.568 18.662 5.136 1.00 24.06 H new ATOM 0 HG SER A 151 -4.370 19.093 2.845 1.00 28.89 H new ATOM 1187 N LYS A 152 -7.665 18.615 2.238 1.00 22.31 N ATOM 1188 CA LYS A 152 -8.523 17.602 1.640 1.00 30.21 C ATOM 1189 C LYS A 152 -7.679 16.418 1.185 1.00 29.87 C ATOM 1190 O LYS A 152 -8.174 15.514 0.522 1.00 29.93 O ATOM 1191 CB LYS A 152 -9.308 18.178 0.457 1.00 24.21 C ATOM 1192 CG LYS A 152 -10.280 19.279 0.842 1.00 26.02 C ATOM 1193 CD LYS A 152 -11.278 18.773 1.859 1.00 23.98 C ATOM 1194 CE LYS A 152 -12.228 19.883 2.299 1.00 39.26 C ATOM 1195 NZ LYS A 152 -13.135 19.420 3.403 1.00 40.06 N ATOM 0 H LYS A 152 -7.122 18.983 1.682 1.00 22.31 H new ATOM 0 HA LYS A 152 -9.161 17.304 2.307 1.00 30.21 H new ATOM 0 HB2 LYS A 152 -8.682 18.526 -0.197 1.00 24.21 H new ATOM 0 HB3 LYS A 152 -9.799 17.461 0.026 1.00 24.21 H new ATOM 0 HG2 LYS A 152 -9.793 20.035 1.207 1.00 26.02 H new ATOM 0 HG3 LYS A 152 -10.747 19.596 0.053 1.00 26.02 H new ATOM 0 HD2 LYS A 152 -11.787 18.040 1.479 1.00 23.98 H new ATOM 0 HD3 LYS A 152 -10.807 18.422 2.631 1.00 23.98 H new ATOM 0 HE2 LYS A 152 -11.716 20.650 2.599 1.00 39.26 H new ATOM 0 HE3 LYS A 152 -12.760 20.175 1.542 1.00 39.26 H new ATOM 0 HZ1 LYS A 152 -13.185 20.050 4.030 1.00 40.06 H new ATOM 0 HZ2 LYS A 152 -13.947 19.264 3.074 1.00 40.06 H new ATOM 0 HZ3 LYS A 152 -12.811 18.672 3.760 1.00 40.06 H new ATOM 1196 N ILE A 153 -6.394 16.453 1.525 1.00 23.05 N ATOM 1197 CA ILE A 153 -5.497 15.334 1.281 1.00 27.43 C ATOM 1198 C ILE A 153 -5.713 14.279 2.376 1.00 32.45 C ATOM 1199 O ILE A 153 -5.693 14.601 3.570 1.00 27.60 O ATOM 1200 CB ILE A 153 -4.034 15.808 1.261 1.00 29.88 C ATOM 1201 CG1 ILE A 153 -3.797 16.694 0.033 1.00 28.49 C ATOM 1202 CG2 ILE A 153 -3.083 14.614 1.275 1.00 30.92 C ATOM 1203 CD1 ILE A 153 -2.418 17.323 -0.044 1.00 23.30 C ATOM 0 H ILE A 153 -6.019 17.128 1.904 1.00 23.05 H new ATOM 0 HA ILE A 153 -5.691 14.944 0.414 1.00 27.43 H new ATOM 0 HB ILE A 153 -3.856 16.332 2.058 1.00 29.88 H new ATOM 0 HG12 ILE A 153 -3.941 16.163 -0.766 1.00 28.49 H new ATOM 0 HG13 ILE A 153 -4.461 17.401 0.027 1.00 28.49 H new ATOM 0 HG21 ILE A 153 -2.166 14.930 1.262 1.00 30.92 H new ATOM 0 HG22 ILE A 153 -3.233 14.090 2.078 1.00 30.92 H new ATOM 0 HG23 ILE A 153 -3.245 14.062 0.494 1.00 30.92 H new ATOM 0 HD11 ILE A 153 -2.353 17.864 -0.846 1.00 23.30 H new ATOM 0 HD12 ILE A 153 -2.273 17.882 0.735 1.00 23.30 H new ATOM 0 HD13 ILE A 153 -1.745 16.625 -0.070 1.00 23.30 H new ATOM 1204 N SER A 154 -5.928 13.033 1.957 1.00 31.08 N ATOM 1205 CA SER A 154 -6.411 11.966 2.839 1.00 35.61 C ATOM 1206 C SER A 154 -5.588 11.811 4.114 1.00 29.05 C ATOM 1207 O SER A 154 -6.128 11.818 5.223 1.00 28.89 O ATOM 1208 CB SER A 154 -6.454 10.631 2.087 1.00 37.88 C ATOM 1209 OG SER A 154 -7.222 10.741 0.903 1.00 50.22 O ATOM 0 H SER A 154 -5.797 12.779 1.146 1.00 31.08 H new ATOM 0 HA SER A 154 -7.305 12.226 3.111 1.00 35.61 H new ATOM 0 HB2 SER A 154 -5.552 10.351 1.867 1.00 37.88 H new ATOM 0 HB3 SER A 154 -6.832 9.945 2.659 1.00 37.88 H new ATOM 0 HG SER A 154 -7.729 11.408 0.959 1.00 50.22 H new ATOM 1210 N THR A 155 -4.280 11.670 3.941 1.00 30.80 N ATOM 1211 CA THR A 155 -3.364 11.562 5.067 1.00 29.41 C ATOM 1212 C THR A 155 -3.587 12.674 6.092 1.00 29.11 C ATOM 1213 O THR A 155 -3.731 12.407 7.283 1.00 26.10 O ATOM 1214 CB THR A 155 -1.919 11.604 4.585 1.00 26.05 C ATOM 1215 OG1 THR A 155 -1.709 10.531 3.662 1.00 28.01 O ATOM 1216 CG2 THR A 155 -0.956 11.464 5.760 1.00 26.06 C ATOM 0 H THR A 155 -3.900 11.634 3.170 1.00 30.80 H new ATOM 0 HA THR A 155 -3.542 10.711 5.497 1.00 29.41 H new ATOM 0 HB THR A 155 -1.752 12.456 4.152 1.00 26.05 H new ATOM 0 HG1 THR A 155 -0.903 10.297 3.683 1.00 28.01 H new ATOM 0 HG21 THR A 155 -0.042 11.493 5.435 1.00 26.06 H new ATOM 0 HG22 THR A 155 -1.100 12.192 6.385 1.00 26.06 H new ATOM 0 HG23 THR A 155 -1.113 10.618 6.208 1.00 26.06 H new ATOM 1217 N PHE A 156 -3.643 13.917 5.615 1.00 27.99 N ATOM 1218 CA PHE A 156 -3.772 15.077 6.497 1.00 25.00 C ATOM 1219 C PHE A 156 -5.188 15.168 7.066 1.00 25.12 C ATOM 1220 O PHE A 156 -5.397 15.694 8.163 1.00 24.84 O ATOM 1221 CB PHE A 156 -3.391 16.372 5.760 1.00 24.90 C ATOM 1222 CG PHE A 156 -2.041 16.315 5.084 1.00 25.07 C ATOM 1223 CD1 PHE A 156 -1.024 15.517 5.588 1.00 24.38 C ATOM 1224 CD2 PHE A 156 -1.796 17.046 3.941 1.00 22.08 C ATOM 1225 CE1 PHE A 156 0.209 15.456 4.959 1.00 22.77 C ATOM 1226 CE2 PHE A 156 -0.566 16.995 3.315 1.00 27.05 C ATOM 1227 CZ PHE A 156 0.439 16.200 3.826 1.00 23.35 C ATOM 0 H PHE A 156 -3.608 14.111 4.778 1.00 27.99 H new ATOM 0 HA PHE A 156 -3.156 14.964 7.238 1.00 25.00 H new ATOM 0 HB2 PHE A 156 -4.069 16.566 5.094 1.00 24.90 H new ATOM 0 HB3 PHE A 156 -3.396 17.107 6.392 1.00 24.90 H new ATOM 0 HD1 PHE A 156 -1.172 15.017 6.358 1.00 24.38 H new ATOM 0 HD2 PHE A 156 -2.469 17.581 3.586 1.00 22.08 H new ATOM 0 HE1 PHE A 156 0.880 14.912 5.303 1.00 22.77 H new ATOM 0 HE2 PHE A 156 -0.415 17.498 2.547 1.00 27.05 H new ATOM 0 HZ PHE A 156 1.268 16.168 3.406 1.00 23.35 H new ATOM 1228 N GLU A 157 -6.158 14.660 6.312 1.00 22.93 N ATOM 1229 CA GLU A 157 -7.533 14.564 6.798 1.00 29.14 C ATOM 1230 C GLU A 157 -7.615 13.636 8.008 1.00 29.00 C ATOM 1231 O GLU A 157 -8.263 13.959 9.003 1.00 27.32 O ATOM 1232 CB GLU A 157 -8.478 14.073 5.693 1.00 29.78 C ATOM 1233 CG GLU A 157 -8.801 15.118 4.624 1.00 30.24 C ATOM 1234 CD GLU A 157 -9.790 14.612 3.574 1.00 38.47 C ATOM 1235 OE1 GLU A 157 -9.566 13.519 3.005 1.00 37.70 O ATOM 1236 OE2 GLU A 157 -10.798 15.309 3.320 1.00 40.77 O ATOM 0 H GLU A 157 -6.041 14.364 5.513 1.00 22.93 H new ATOM 0 HA GLU A 157 -7.813 15.453 7.066 1.00 29.14 H new ATOM 0 HB2 GLU A 157 -8.081 13.300 5.263 1.00 29.78 H new ATOM 0 HB3 GLU A 157 -9.307 13.777 6.100 1.00 29.78 H new ATOM 0 HG2 GLU A 157 -9.167 15.908 5.051 1.00 30.24 H new ATOM 0 HG3 GLU A 157 -7.980 15.388 4.184 1.00 30.24 H new ATOM 1237 N LYS A 158 -6.949 12.486 7.918 1.00 28.98 N ATOM 1238 CA LYS A 158 -6.926 11.531 9.022 1.00 29.52 C ATOM 1239 C LYS A 158 -6.203 12.133 10.226 1.00 34.57 C ATOM 1240 O LYS A 158 -6.655 11.989 11.364 1.00 32.23 O ATOM 1241 CB LYS A 158 -6.245 10.226 8.609 1.00 35.67 C ATOM 1242 CG LYS A 158 -6.871 9.506 7.413 1.00 41.61 C ATOM 1243 CD LYS A 158 -6.133 8.189 7.126 1.00 46.78 C ATOM 1244 CE LYS A 158 -6.677 7.477 5.884 1.00 59.10 C ATOM 1245 NZ LYS A 158 -6.026 7.918 4.610 1.00 49.69 N ATOM 0 H LYS A 158 -6.504 12.240 7.225 1.00 28.98 H new ATOM 0 HA LYS A 158 -7.844 11.333 9.264 1.00 29.52 H new ATOM 0 HB2 LYS A 158 -5.316 10.415 8.403 1.00 35.67 H new ATOM 0 HB3 LYS A 158 -6.250 9.623 9.368 1.00 35.67 H new ATOM 0 HG2 LYS A 158 -7.807 9.325 7.592 1.00 41.61 H new ATOM 0 HG3 LYS A 158 -6.837 10.078 6.631 1.00 41.61 H new ATOM 0 HD2 LYS A 158 -5.188 8.370 7.005 1.00 46.78 H new ATOM 0 HD3 LYS A 158 -6.213 7.602 7.894 1.00 46.78 H new ATOM 0 HE2 LYS A 158 -6.553 6.521 5.988 1.00 59.10 H new ATOM 0 HE3 LYS A 158 -7.632 7.634 5.822 1.00 59.10 H new ATOM 0 HZ1 LYS A 158 -6.380 7.473 3.926 1.00 49.69 H new ATOM 0 HZ2 LYS A 158 -6.158 8.791 4.496 1.00 49.69 H new ATOM 0 HZ3 LYS A 158 -5.152 7.753 4.650 1.00 49.69 H new ATOM 1246 N MET A 159 -5.089 12.817 9.970 1.00 29.68 N ATOM 1247 CA MET A 159 -4.326 13.463 11.041 1.00 30.24 C ATOM 1248 C MET A 159 -5.163 14.512 11.748 1.00 25.31 C ATOM 1249 O MET A 159 -5.173 14.580 12.974 1.00 29.53 O ATOM 1250 CB MET A 159 -3.014 14.057 10.511 1.00 23.25 C ATOM 1251 CG MET A 159 -2.108 12.998 9.896 1.00 22.87 C ATOM 1252 SD MET A 159 -0.586 13.595 9.138 1.00 30.57 S ATOM 1253 CE MET A 159 0.186 14.398 10.542 1.00 21.50 C ATOM 0 H MET A 159 -4.757 12.920 9.183 1.00 29.68 H new ATOM 0 HA MET A 159 -4.094 12.783 11.692 1.00 30.24 H new ATOM 0 HB2 MET A 159 -3.213 14.735 9.846 1.00 23.25 H new ATOM 0 HB3 MET A 159 -2.545 14.499 11.236 1.00 23.25 H new ATOM 0 HG2 MET A 159 -1.874 12.359 10.587 1.00 22.87 H new ATOM 0 HG3 MET A 159 -2.615 12.516 9.224 1.00 22.87 H new ATOM 0 HE1 MET A 159 1.113 14.593 10.334 1.00 21.50 H new ATOM 0 HE2 MET A 159 -0.281 15.225 10.739 1.00 21.50 H new ATOM 0 HE3 MET A 159 0.144 13.812 11.314 1.00 21.50 H new ATOM 1254 N TRP A 160 -5.892 15.314 10.981 1.00 27.05 N ATOM 1255 CA TRP A 160 -6.762 16.313 11.589 1.00 29.11 C ATOM 1256 C TRP A 160 -7.941 15.680 12.323 1.00 31.82 C ATOM 1257 O TRP A 160 -8.469 16.248 13.281 1.00 28.96 O ATOM 1258 CB TRP A 160 -7.290 17.305 10.559 1.00 27.88 C ATOM 1259 CG TRP A 160 -8.254 18.243 11.189 1.00 28.46 C ATOM 1260 CD1 TRP A 160 -9.600 18.316 10.971 1.00 30.40 C ATOM 1261 CD2 TRP A 160 -7.955 19.214 12.198 1.00 26.83 C ATOM 1262 NE1 TRP A 160 -10.154 19.298 11.762 1.00 23.93 N ATOM 1263 CE2 TRP A 160 -9.165 19.861 12.527 1.00 29.32 C ATOM 1264 CE3 TRP A 160 -6.773 19.619 12.836 1.00 24.06 C ATOM 1265 CZ2 TRP A 160 -9.231 20.889 13.472 1.00 29.47 C ATOM 1266 CZ3 TRP A 160 -6.839 20.635 13.771 1.00 23.31 C ATOM 1267 CH2 TRP A 160 -8.060 21.259 14.082 1.00 29.06 C ATOM 0 H TRP A 160 -5.899 15.298 10.121 1.00 27.05 H new ATOM 0 HA TRP A 160 -6.212 16.786 12.233 1.00 29.11 H new ATOM 0 HB2 TRP A 160 -6.552 17.802 10.172 1.00 27.88 H new ATOM 0 HB3 TRP A 160 -7.722 16.828 9.833 1.00 27.88 H new ATOM 0 HD1 TRP A 160 -10.073 17.781 10.376 1.00 30.40 H new ATOM 0 HE1 TRP A 160 -10.984 19.522 11.774 1.00 23.93 H new ATOM 0 HE3 TRP A 160 -5.961 19.212 12.634 1.00 24.06 H new ATOM 0 HZ2 TRP A 160 -10.037 21.305 13.679 1.00 29.47 H new ATOM 0 HZ3 TRP A 160 -6.062 20.911 14.202 1.00 23.31 H new ATOM 0 HH2 TRP A 160 -8.074 21.939 14.716 1.00 29.06 H new ATOM 1268 N ALA A 161 -8.366 14.511 11.854 1.00 35.14 N ATOM 1269 CA ALA A 161 -9.397 13.756 12.550 1.00 37.11 C ATOM 1270 C ALA A 161 -8.873 13.372 13.926 1.00 31.40 C ATOM 1271 O ALA A 161 -9.568 13.509 14.931 1.00 31.62 O ATOM 1272 CB ALA A 161 -9.791 12.515 11.753 1.00 36.25 C ATOM 0 H ALA A 161 -8.070 14.140 11.137 1.00 35.14 H new ATOM 0 HA ALA A 161 -10.192 14.303 12.646 1.00 37.11 H new ATOM 0 HB1 ALA A 161 -10.478 12.027 12.233 1.00 36.25 H new ATOM 0 HB2 ALA A 161 -10.132 12.782 10.885 1.00 36.25 H new ATOM 0 HB3 ALA A 161 -9.014 11.947 11.634 1.00 36.25 H new ATOM 1273 N PHE A 162 -7.632 12.910 13.977 1.00 26.93 N ATOM 1274 CA PHE A 162 -7.047 12.564 15.263 1.00 32.77 C ATOM 1275 C PHE A 162 -6.878 13.789 16.164 1.00 41.16 C ATOM 1276 O PHE A 162 -7.313 13.782 17.321 1.00 38.73 O ATOM 1277 CB PHE A 162 -5.700 11.879 15.085 1.00 30.61 C ATOM 1278 CG PHE A 162 -5.073 11.466 16.377 1.00 39.78 C ATOM 1279 CD1 PHE A 162 -5.295 10.200 16.892 1.00 34.13 C ATOM 1280 CD2 PHE A 162 -4.271 12.344 17.091 1.00 42.82 C ATOM 1281 CE1 PHE A 162 -4.720 9.811 18.088 1.00 42.22 C ATOM 1282 CE2 PHE A 162 -3.702 11.963 18.296 1.00 43.23 C ATOM 1283 CZ PHE A 162 -3.928 10.691 18.792 1.00 46.21 C ATOM 0 H PHE A 162 -7.121 12.791 13.295 1.00 26.93 H new ATOM 0 HA PHE A 162 -7.665 11.952 15.692 1.00 32.77 H new ATOM 0 HB2 PHE A 162 -5.814 11.097 14.523 1.00 30.61 H new ATOM 0 HB3 PHE A 162 -5.098 12.479 14.618 1.00 30.61 H new ATOM 0 HD1 PHE A 162 -5.837 9.604 16.428 1.00 34.13 H new ATOM 0 HD2 PHE A 162 -4.113 13.198 16.758 1.00 42.82 H new ATOM 0 HE1 PHE A 162 -4.868 8.954 18.417 1.00 42.22 H new ATOM 0 HE2 PHE A 162 -3.170 12.561 18.770 1.00 43.23 H new ATOM 0 HZ PHE A 162 -3.546 10.431 19.599 1.00 46.21 H new ATOM 1284 N MET A 163 -6.230 14.824 15.627 1.00 33.20 N ATOM 1285 CA MET A 163 -5.895 16.028 16.387 1.00 38.66 C ATOM 1286 C MET A 163 -7.096 16.649 17.048 1.00 38.46 C ATOM 1287 O MET A 163 -7.068 16.956 18.234 1.00 41.35 O ATOM 1288 CB MET A 163 -5.277 17.090 15.482 1.00 36.72 C ATOM 1289 CG MET A 163 -3.803 16.974 15.307 1.00 38.96 C ATOM 1290 SD MET A 163 -3.245 18.254 14.187 1.00 32.01 S ATOM 1291 CE MET A 163 -2.736 17.251 12.788 1.00 24.96 C ATOM 0 H MET A 163 -5.971 14.847 14.807 1.00 33.20 H new ATOM 0 HA MET A 163 -5.267 15.740 17.067 1.00 38.66 H new ATOM 0 HB2 MET A 163 -5.699 17.041 14.610 1.00 36.72 H new ATOM 0 HB3 MET A 163 -5.480 17.966 15.846 1.00 36.72 H new ATOM 0 HG2 MET A 163 -3.356 17.061 16.164 1.00 38.96 H new ATOM 0 HG3 MET A 163 -3.575 16.099 14.956 1.00 38.96 H new ATOM 0 HE1 MET A 163 -2.153 17.770 12.213 1.00 24.96 H new ATOM 0 HE2 MET A 163 -2.261 16.468 13.107 1.00 24.96 H new ATOM 0 HE3 MET A 163 -3.519 16.973 12.287 1.00 24.96 H new ATOM 1292 N SER A 164 -8.144 16.849 16.259 1.00 41.01 N ATOM 1293 CA SER A 164 -9.346 17.515 16.735 1.00 35.61 C ATOM 1294 C SER A 164 -10.171 16.640 17.674 1.00 44.62 C ATOM 1295 O SER A 164 -11.146 17.107 18.253 1.00 52.30 O ATOM 1296 CB SER A 164 -10.199 17.957 15.548 1.00 35.45 C ATOM 1297 OG SER A 164 -10.419 16.882 14.655 1.00 41.03 O ATOM 0 H SER A 164 -8.178 16.603 15.436 1.00 41.01 H new ATOM 0 HA SER A 164 -9.061 18.289 17.245 1.00 35.61 H new ATOM 0 HB2 SER A 164 -11.050 18.298 15.866 1.00 35.45 H new ATOM 0 HB3 SER A 164 -9.758 18.685 15.082 1.00 35.45 H new ATOM 0 HG SER A 164 -9.814 16.873 14.072 1.00 41.03 H new ATOM 1298 N SER A 165 -9.786 15.376 17.823 1.00 44.53 N ATOM 1299 CA SER A 165 -10.495 14.473 18.725 1.00 47.52 C ATOM 1300 C SER A 165 -9.826 14.456 20.096 1.00 51.74 C ATOM 1301 O SER A 165 -10.500 14.424 21.121 1.00 57.76 O ATOM 1302 CB SER A 165 -10.563 13.053 18.147 1.00 48.35 C ATOM 1303 OG SER A 165 -9.409 12.293 18.488 1.00 47.50 O ATOM 0 H SER A 165 -9.118 15.022 17.412 1.00 44.53 H new ATOM 0 HA SER A 165 -11.403 14.801 18.824 1.00 47.52 H new ATOM 0 HB2 SER A 165 -11.356 12.605 18.480 1.00 48.35 H new ATOM 0 HB3 SER A 165 -10.647 13.099 17.182 1.00 48.35 H new ATOM 0 HG SER A 165 -8.725 12.667 18.175 1.00 47.50 H new ATOM 1304 N LYS A 166 -8.496 14.473 20.106 1.00 53.88 N ATOM 1305 CA LYS A 166 -7.733 14.578 21.347 1.00 57.30 C ATOM 1306 C LYS A 166 -7.674 16.031 21.813 1.00 63.24 C ATOM 1307 O LYS A 166 -7.210 16.908 21.079 1.00 59.40 O ATOM 1308 CB LYS A 166 -6.307 14.049 21.158 1.00 57.45 C ATOM 1309 CG LYS A 166 -6.144 12.556 21.334 1.00 50.02 C ATOM 1310 CD LYS A 166 -6.754 12.104 22.645 1.00 60.35 C ATOM 1311 CE LYS A 166 -6.082 10.844 23.160 1.00 69.63 C ATOM 1312 NZ LYS A 166 -4.630 11.074 23.408 1.00 57.73 N ATOM 0 H LYS A 166 -8.012 14.424 19.397 1.00 53.88 H new ATOM 0 HA LYS A 166 -8.182 14.041 22.018 1.00 57.30 H new ATOM 0 HB2 LYS A 166 -6.003 14.290 20.269 1.00 57.45 H new ATOM 0 HB3 LYS A 166 -5.724 14.500 21.789 1.00 57.45 H new ATOM 0 HG2 LYS A 166 -6.568 12.090 20.596 1.00 50.02 H new ATOM 0 HG3 LYS A 166 -5.203 12.324 21.312 1.00 50.02 H new ATOM 0 HD2 LYS A 166 -6.670 12.811 23.304 1.00 60.35 H new ATOM 0 HD3 LYS A 166 -7.702 11.941 22.524 1.00 60.35 H new ATOM 0 HE2 LYS A 166 -6.512 10.557 23.981 1.00 69.63 H new ATOM 0 HE3 LYS A 166 -6.194 10.128 22.516 1.00 69.63 H new ATOM 0 HZ1 LYS A 166 -4.285 10.370 23.829 1.00 57.73 H new ATOM 0 HZ2 LYS A 166 -4.211 11.190 22.632 1.00 57.73 H new ATOM 0 HZ3 LYS A 166 -4.526 11.800 23.912 1.00 57.73 H new ATOM 1313 N PRO A 167 -8.146 16.292 23.039 1.00 66.81 N ATOM 1314 CA PRO A 167 -8.124 17.647 23.599 1.00 68.21 C ATOM 1315 C PRO A 167 -6.704 18.061 23.968 1.00 62.30 C ATOM 1316 O PRO A 167 -6.334 19.225 23.824 1.00 64.90 O ATOM 1317 CB PRO A 167 -8.979 17.519 24.870 1.00 79.19 C ATOM 1318 CG PRO A 167 -9.695 16.195 24.754 1.00 65.73 C ATOM 1319 CD PRO A 167 -8.776 15.328 23.955 1.00 74.55 C ATOM 0 HA PRO A 167 -8.451 18.315 22.976 1.00 68.21 H new ATOM 0 HB2 PRO A 167 -8.425 17.546 25.666 1.00 79.19 H new ATOM 0 HB3 PRO A 167 -9.611 18.251 24.939 1.00 79.19 H new ATOM 0 HG2 PRO A 167 -9.868 15.812 25.628 1.00 65.73 H new ATOM 0 HG3 PRO A 167 -10.553 16.297 24.314 1.00 65.73 H new ATOM 0 HD2 PRO A 167 -8.122 14.882 24.516 1.00 74.55 H new ATOM 0 HD3 PRO A 167 -9.258 14.636 23.476 1.00 74.55 H new ATOM 1320 N SER A 168 -5.917 17.101 24.439 1.00 51.60 N ATOM 1321 CA SER A 168 -4.538 17.363 24.828 1.00 54.67 C ATOM 1322 C SER A 168 -3.610 17.578 23.630 1.00 48.54 C ATOM 1323 O SER A 168 -2.501 18.079 23.790 1.00 46.48 O ATOM 1324 CB SER A 168 -4.001 16.202 25.676 1.00 58.20 C ATOM 1325 OG SER A 168 -3.893 15.005 24.913 1.00 45.54 O ATOM 0 H SER A 168 -6.166 16.284 24.542 1.00 51.60 H new ATOM 0 HA SER A 168 -4.548 18.186 25.342 1.00 54.67 H new ATOM 0 HB2 SER A 168 -3.131 16.438 26.035 1.00 58.20 H new ATOM 0 HB3 SER A 168 -4.590 16.053 26.432 1.00 58.20 H new ATOM 0 HG SER A 168 -3.596 14.388 25.400 1.00 45.54 H new ATOM 1326 N ALA A 169 -4.057 17.203 22.436 1.00 46.05 N ATOM 1327 CA ALA A 169 -3.157 17.122 21.282 1.00 38.47 C ATOM 1328 C ALA A 169 -2.659 18.471 20.764 1.00 31.94 C ATOM 1329 O ALA A 169 -1.562 18.563 20.221 1.00 34.02 O ATOM 1330 CB ALA A 169 -3.804 16.325 20.155 1.00 45.85 C ATOM 0 H ALA A 169 -4.874 16.991 22.270 1.00 46.05 H new ATOM 0 HA ALA A 169 -2.367 16.662 21.605 1.00 38.47 H new ATOM 0 HB1 ALA A 169 -3.197 16.281 19.400 1.00 45.85 H new ATOM 0 HB2 ALA A 169 -4.000 15.427 20.465 1.00 45.85 H new ATOM 0 HB3 ALA A 169 -4.627 16.760 19.882 1.00 45.85 H new ATOM 1331 N LEU A 170 -3.473 19.508 20.904 1.00 30.82 N ATOM 1332 CA LEU A 170 -3.068 20.836 20.476 1.00 28.61 C ATOM 1333 C LEU A 170 -2.415 21.573 21.638 1.00 30.83 C ATOM 1334 O LEU A 170 -2.966 21.648 22.733 1.00 36.49 O ATOM 1335 CB LEU A 170 -4.267 21.620 19.946 1.00 28.31 C ATOM 1336 CG LEU A 170 -5.044 20.934 18.818 1.00 29.00 C ATOM 1337 CD1 LEU A 170 -6.183 21.814 18.325 1.00 21.79 C ATOM 1338 CD2 LEU A 170 -4.124 20.567 17.684 1.00 25.67 C ATOM 0 H LEU A 170 -4.262 19.463 21.244 1.00 30.82 H new ATOM 0 HA LEU A 170 -2.424 20.752 19.755 1.00 28.61 H new ATOM 0 HB2 LEU A 170 -4.875 21.790 20.682 1.00 28.31 H new ATOM 0 HB3 LEU A 170 -3.957 22.483 19.629 1.00 28.31 H new ATOM 0 HG LEU A 170 -5.429 20.118 19.173 1.00 29.00 H new ATOM 0 HD11 LEU A 170 -6.659 21.359 17.613 1.00 21.79 H new ATOM 0 HD12 LEU A 170 -6.793 21.994 19.057 1.00 21.79 H new ATOM 0 HD13 LEU A 170 -5.824 22.651 17.990 1.00 21.79 H new ATOM 0 HD21 LEU A 170 -4.633 20.135 16.981 1.00 25.67 H new ATOM 0 HD22 LEU A 170 -3.706 21.369 17.334 1.00 25.67 H new ATOM 0 HD23 LEU A 170 -3.439 19.960 18.006 1.00 25.67 H new ATOM 1339 N VAL A 171 -1.227 22.104 21.403 1.00 27.65 N ATOM 1340 CA VAL A 171 -0.460 22.719 22.477 1.00 24.86 C ATOM 1341 C VAL A 171 -0.629 24.234 22.444 1.00 22.92 C ATOM 1342 O VAL A 171 -1.085 24.788 21.447 1.00 24.72 O ATOM 1343 CB VAL A 171 1.019 22.319 22.389 1.00 26.80 C ATOM 1344 CG1 VAL A 171 1.181 20.845 22.756 1.00 28.45 C ATOM 1345 CG2 VAL A 171 1.568 22.598 20.986 1.00 19.43 C ATOM 0 H VAL A 171 -0.846 22.120 20.632 1.00 27.65 H new ATOM 0 HA VAL A 171 -0.799 22.396 23.326 1.00 24.86 H new ATOM 0 HB VAL A 171 1.528 22.852 23.020 1.00 26.80 H new ATOM 0 HG11 VAL A 171 2.117 20.598 22.699 1.00 28.45 H new ATOM 0 HG12 VAL A 171 0.864 20.700 23.661 1.00 28.45 H new ATOM 0 HG13 VAL A 171 0.665 20.300 22.142 1.00 28.45 H new ATOM 0 HG21 VAL A 171 2.502 22.340 20.947 1.00 19.43 H new ATOM 0 HG22 VAL A 171 1.064 22.087 20.334 1.00 19.43 H new ATOM 0 HG23 VAL A 171 1.485 23.544 20.788 1.00 19.43 H new ATOM 1346 N LYS A 172 -0.286 24.902 23.535 1.00 21.04 N ATOM 1347 CA LYS A 172 -0.493 26.339 23.617 1.00 19.02 C ATOM 1348 C LYS A 172 0.480 27.096 22.706 1.00 21.86 C ATOM 1349 O LYS A 172 0.146 28.156 22.171 1.00 20.54 O ATOM 1350 CB LYS A 172 -0.364 26.816 25.070 1.00 23.36 C ATOM 1351 CG LYS A 172 -0.614 28.310 25.252 1.00 38.85 C ATOM 1352 CD LYS A 172 -1.966 28.727 24.661 1.00 46.83 C ATOM 1353 CE LYS A 172 -1.982 30.191 24.213 1.00 42.84 C ATOM 1354 NZ LYS A 172 -2.131 31.138 25.352 1.00 47.17 N ATOM 0 H LYS A 172 0.066 24.546 24.234 1.00 21.04 H new ATOM 0 HA LYS A 172 -1.392 26.531 23.308 1.00 19.02 H new ATOM 0 HB2 LYS A 172 -0.992 26.322 25.621 1.00 23.36 H new ATOM 0 HB3 LYS A 172 0.525 26.604 25.394 1.00 23.36 H new ATOM 0 HG2 LYS A 172 -0.590 28.531 26.196 1.00 38.85 H new ATOM 0 HG3 LYS A 172 0.097 28.813 24.825 1.00 38.85 H new ATOM 0 HD2 LYS A 172 -2.174 28.158 23.904 1.00 46.83 H new ATOM 0 HD3 LYS A 172 -2.662 28.586 25.322 1.00 46.83 H new ATOM 0 HE2 LYS A 172 -1.160 30.389 23.738 1.00 42.84 H new ATOM 0 HE3 LYS A 172 -2.711 30.326 23.587 1.00 42.84 H new ATOM 0 HZ1 LYS A 172 -2.380 31.935 25.045 1.00 47.17 H new ATOM 0 HZ2 LYS A 172 -2.748 30.831 25.915 1.00 47.17 H new ATOM 0 HZ3 LYS A 172 -1.353 31.215 25.778 1.00 47.17 H new ATOM 1355 N ASN A 173 1.670 26.525 22.525 1.00 16.65 N ATOM 1356 CA ASN A 173 2.755 27.160 21.786 1.00 17.01 C ATOM 1357 C ASN A 173 3.859 26.156 21.486 1.00 19.75 C ATOM 1358 O ASN A 173 3.802 25.020 21.954 1.00 27.58 O ATOM 1359 CB ASN A 173 3.318 28.352 22.564 1.00 18.35 C ATOM 1360 CG ASN A 173 3.679 27.991 23.994 1.00 24.83 C ATOM 1361 OD1 ASN A 173 4.293 26.954 24.251 1.00 19.82 O ATOM 1362 ND2 ASN A 173 3.282 28.840 24.933 1.00 19.26 N ATOM 0 H ASN A 173 1.870 25.747 22.833 1.00 16.65 H new ATOM 0 HA ASN A 173 2.396 27.485 20.945 1.00 17.01 H new ATOM 0 HB2 ASN A 173 4.106 28.689 22.109 1.00 18.35 H new ATOM 0 HB3 ASN A 173 2.665 29.069 22.569 1.00 18.35 H new ATOM 0 HD21 ASN A 173 3.451 28.676 25.760 1.00 19.26 H new ATOM 0 HD22 ASN A 173 2.855 29.554 24.715 1.00 19.26 H new ATOM 1363 N ASN A 174 4.848 26.552 20.689 1.00 22.54 N ATOM 1364 CA ASN A 174 5.884 25.608 20.270 1.00 25.96 C ATOM 1365 C ASN A 174 6.574 25.029 21.486 1.00 19.40 C ATOM 1366 O ASN A 174 6.859 23.840 21.537 1.00 18.80 O ATOM 1367 CB ASN A 174 6.940 26.262 19.364 1.00 19.20 C ATOM 1368 CG ASN A 174 6.481 26.426 17.918 1.00 24.67 C ATOM 1369 OD1 ASN A 174 5.774 25.584 17.360 1.00 25.06 O ATOM 1370 ND2 ASN A 174 6.912 27.512 17.297 1.00 23.31 N ATOM 0 H ASN A 174 4.938 27.351 20.383 1.00 22.54 H new ATOM 0 HA ASN A 174 5.443 24.910 19.762 1.00 25.96 H new ATOM 0 HB2 ASN A 174 7.170 27.133 19.724 1.00 19.20 H new ATOM 0 HB3 ASN A 174 7.748 25.725 19.381 1.00 19.20 H new ATOM 0 HD21 ASN A 174 6.700 27.650 16.475 1.00 23.31 H new ATOM 0 HD22 ASN A 174 7.404 28.080 17.715 1.00 23.31 H new ATOM 1371 N GLU A 175 6.837 25.887 22.462 1.00 19.00 N ATOM 1372 CA GLU A 175 7.579 25.488 23.649 1.00 23.27 C ATOM 1373 C GLU A 175 6.916 24.341 24.394 1.00 24.74 C ATOM 1374 O GLU A 175 7.579 23.375 24.768 1.00 25.78 O ATOM 1375 CB GLU A 175 7.769 26.660 24.600 1.00 25.06 C ATOM 1376 CG GLU A 175 8.491 26.231 25.857 1.00 31.49 C ATOM 1377 CD GLU A 175 8.858 27.380 26.747 1.00 31.12 C ATOM 1378 OE1 GLU A 175 7.953 28.148 27.146 1.00 43.11 O ATOM 1379 OE2 GLU A 175 10.058 27.518 27.042 1.00 33.63 O ATOM 0 H GLU A 175 6.592 26.711 22.456 1.00 19.00 H new ATOM 0 HA GLU A 175 8.444 25.183 23.333 1.00 23.27 H new ATOM 0 HB2 GLU A 175 8.273 27.361 24.157 1.00 25.06 H new ATOM 0 HB3 GLU A 175 6.905 27.035 24.832 1.00 25.06 H new ATOM 0 HG2 GLU A 175 7.930 25.613 26.351 1.00 31.49 H new ATOM 0 HG3 GLU A 175 9.296 25.749 25.612 1.00 31.49 H new ATOM 1380 N GLU A 176 5.608 24.449 24.599 1.00 28.17 N ATOM 1381 CA GLU A 176 4.845 23.377 25.233 1.00 27.26 C ATOM 1382 C GLU A 176 4.902 22.113 24.387 1.00 27.02 C ATOM 1383 O GLU A 176 5.073 21.008 24.908 1.00 27.72 O ATOM 1384 CB GLU A 176 3.395 23.800 25.462 1.00 25.89 C ATOM 1385 CG GLU A 176 2.537 22.692 26.037 1.00 37.92 C ATOM 1386 CD GLU A 176 1.122 23.141 26.352 1.00 36.07 C ATOM 1387 OE1 GLU A 176 0.182 22.365 26.096 1.00 45.17 O ATOM 1388 OE2 GLU A 176 0.952 24.262 26.865 1.00 46.11 O ATOM 0 H GLU A 176 5.141 25.137 24.378 1.00 28.17 H new ATOM 0 HA GLU A 176 5.245 23.191 26.097 1.00 27.26 H new ATOM 0 HB2 GLU A 176 3.377 24.561 26.063 1.00 25.89 H new ATOM 0 HB3 GLU A 176 3.013 24.094 24.620 1.00 25.89 H new ATOM 0 HG2 GLU A 176 2.505 21.955 25.407 1.00 37.92 H new ATOM 0 HG3 GLU A 176 2.952 22.355 26.847 1.00 37.92 H new ATOM 1389 N GLY A 177 4.789 22.288 23.075 1.00 23.68 N ATOM 1390 CA GLY A 177 4.918 21.187 22.138 1.00 21.69 C ATOM 1391 C GLY A 177 6.259 20.473 22.193 1.00 24.09 C ATOM 1392 O GLY A 177 6.310 19.242 22.200 1.00 17.57 O ATOM 0 H GLY A 177 4.635 23.049 22.706 1.00 23.68 H new ATOM 0 HA2 GLY A 177 4.213 20.544 22.312 1.00 21.69 H new ATOM 0 HA3 GLY A 177 4.779 21.523 21.239 1.00 21.69 H new ATOM 1393 N ILE A 178 7.348 21.239 22.215 1.00 22.03 N ATOM 1394 CA ILE A 178 8.688 20.661 22.292 1.00 18.59 C ATOM 1395 C ILE A 178 8.872 19.899 23.609 1.00 24.07 C ATOM 1396 O ILE A 178 9.431 18.804 23.631 1.00 23.97 O ATOM 1397 CB ILE A 178 9.775 21.739 22.155 1.00 22.54 C ATOM 1398 CG1 ILE A 178 9.677 22.412 20.785 1.00 23.55 C ATOM 1399 CG2 ILE A 178 11.171 21.149 22.333 1.00 19.33 C ATOM 1400 CD1 ILE A 178 10.184 23.820 20.793 1.00 24.27 C ATOM 0 H ILE A 178 7.332 22.098 22.186 1.00 22.03 H new ATOM 0 HA ILE A 178 8.781 20.042 21.551 1.00 18.59 H new ATOM 0 HB ILE A 178 9.630 22.396 22.854 1.00 22.54 H new ATOM 0 HG12 ILE A 178 10.182 21.895 20.138 1.00 23.55 H new ATOM 0 HG13 ILE A 178 8.752 22.407 20.492 1.00 23.55 H new ATOM 0 HG21 ILE A 178 11.834 21.852 22.241 1.00 19.33 H new ATOM 0 HG22 ILE A 178 11.244 20.749 23.214 1.00 19.33 H new ATOM 0 HG23 ILE A 178 11.324 20.470 21.657 1.00 19.33 H new ATOM 0 HD11 ILE A 178 10.100 24.199 19.904 1.00 24.27 H new ATOM 0 HD12 ILE A 178 9.665 24.348 21.420 1.00 24.27 H new ATOM 0 HD13 ILE A 178 11.116 23.827 21.060 1.00 24.27 H new ATOM 1401 N GLN A 179 8.376 20.472 24.698 1.00 19.61 N ATOM 1402 CA GLN A 179 8.460 19.816 25.993 1.00 27.18 C ATOM 1403 C GLN A 179 7.707 18.496 25.960 1.00 25.07 C ATOM 1404 O GLN A 179 8.158 17.496 26.516 1.00 31.36 O ATOM 1405 CB GLN A 179 7.931 20.724 27.106 1.00 20.95 C ATOM 1406 CG GLN A 179 8.850 21.887 27.425 1.00 24.26 C ATOM 1407 CD GLN A 179 8.188 22.942 28.297 1.00 23.61 C ATOM 1408 OE1 GLN A 179 6.989 22.884 28.559 1.00 41.07 O ATOM 1409 NE2 GLN A 179 8.964 23.910 28.741 1.00 21.86 N ATOM 0 H GLN A 179 7.988 21.239 24.708 1.00 19.61 H new ATOM 0 HA GLN A 179 9.393 19.633 26.185 1.00 27.18 H new ATOM 0 HB2 GLN A 179 7.062 21.069 26.847 1.00 20.95 H new ATOM 0 HB3 GLN A 179 7.798 20.196 27.909 1.00 20.95 H new ATOM 0 HG2 GLN A 179 9.642 21.553 27.874 1.00 24.26 H new ATOM 0 HG3 GLN A 179 9.145 22.297 26.597 1.00 24.26 H new ATOM 0 HE21 GLN A 179 9.800 23.919 28.538 1.00 21.86 H new ATOM 0 HE22 GLN A 179 8.635 24.533 29.234 1.00 21.86 H new ATOM 1410 N ARG A 180 6.583 18.476 25.262 1.00 25.74 N ATOM 1411 CA ARG A 180 5.817 17.246 25.166 1.00 29.93 C ATOM 1412 C ARG A 180 6.559 16.168 24.375 1.00 24.29 C ATOM 1413 O ARG A 180 6.472 14.999 24.706 1.00 27.58 O ATOM 1414 CB ARG A 180 4.404 17.488 24.612 1.00 31.76 C ATOM 1415 CG ARG A 180 3.516 16.242 24.698 1.00 41.45 C ATOM 1416 CD ARG A 180 2.057 16.541 24.414 1.00 34.83 C ATOM 1417 NE ARG A 180 1.546 17.567 25.316 1.00 43.98 N ATOM 1418 CZ ARG A 180 0.311 18.053 25.264 1.00 54.96 C ATOM 1419 NH1 ARG A 180 -0.072 18.996 26.116 1.00 51.11 N ATOM 1420 NH2 ARG A 180 -0.537 17.597 24.350 1.00 46.78 N ATOM 0 H ARG A 180 6.251 19.150 24.844 1.00 25.74 H new ATOM 0 HA ARG A 180 5.713 16.912 26.071 1.00 29.93 H new ATOM 0 HB2 ARG A 180 3.987 18.213 25.104 1.00 31.76 H new ATOM 0 HB3 ARG A 180 4.467 17.773 23.687 1.00 31.76 H new ATOM 0 HG2 ARG A 180 3.835 15.578 24.067 1.00 41.45 H new ATOM 0 HG3 ARG A 180 3.596 15.853 25.583 1.00 41.45 H new ATOM 0 HD2 ARG A 180 1.957 16.835 23.495 1.00 34.83 H new ATOM 0 HD3 ARG A 180 1.533 15.731 24.511 1.00 34.83 H new ATOM 0 HE ARG A 180 2.077 17.876 25.918 1.00 43.98 H new ATOM 0 HH11 ARG A 180 0.480 19.294 26.704 1.00 51.11 H new ATOM 0 HH12 ARG A 180 -0.872 19.309 26.080 1.00 51.11 H new ATOM 0 HH21 ARG A 180 -0.286 16.990 23.795 1.00 46.78 H new ATOM 0 HH22 ARG A 180 -1.338 17.909 24.313 1.00 46.78 H new ATOM 1421 N THR A 181 7.303 16.549 23.341 1.00 28.89 N ATOM 1422 CA THR A 181 8.050 15.549 22.581 1.00 26.01 C ATOM 1423 C THR A 181 9.202 14.984 23.408 1.00 28.36 C ATOM 1424 O THR A 181 9.688 13.892 23.138 1.00 33.47 O ATOM 1425 CB THR A 181 8.624 16.097 21.253 1.00 22.49 C ATOM 1426 OG1 THR A 181 9.636 17.068 21.543 1.00 31.00 O ATOM 1427 CG2 THR A 181 7.528 16.733 20.395 1.00 21.03 C ATOM 0 H THR A 181 7.389 17.360 23.067 1.00 28.89 H new ATOM 0 HA THR A 181 7.409 14.852 22.369 1.00 26.01 H new ATOM 0 HB THR A 181 9.004 15.358 20.753 1.00 22.49 H new ATOM 0 HG1 THR A 181 9.409 17.517 22.216 1.00 31.00 H new ATOM 0 HG21 THR A 181 7.915 17.067 19.571 1.00 21.03 H new ATOM 0 HG22 THR A 181 6.852 16.069 20.188 1.00 21.03 H new ATOM 0 HG23 THR A 181 7.121 17.467 20.881 1.00 21.03 H new ATOM 1428 N LEU A 182 9.645 15.727 24.414 1.00 25.70 N ATOM 1429 CA LEU A 182 10.768 15.273 25.217 1.00 32.84 C ATOM 1430 C LEU A 182 10.298 14.380 26.362 1.00 34.92 C ATOM 1431 O LEU A 182 11.049 13.557 26.878 1.00 37.73 O ATOM 1432 CB LEU A 182 11.552 16.466 25.763 1.00 31.27 C ATOM 1433 CG LEU A 182 12.257 17.325 24.713 1.00 29.76 C ATOM 1434 CD1 LEU A 182 12.650 18.691 25.279 1.00 26.09 C ATOM 1435 CD2 LEU A 182 13.465 16.592 24.184 1.00 22.78 C ATOM 0 H LEU A 182 9.314 16.486 24.645 1.00 25.70 H new ATOM 0 HA LEU A 182 11.352 14.750 24.646 1.00 32.84 H new ATOM 0 HB2 LEU A 182 10.944 17.031 26.265 1.00 31.27 H new ATOM 0 HB3 LEU A 182 12.216 16.138 26.389 1.00 31.27 H new ATOM 0 HG LEU A 182 11.640 17.485 23.982 1.00 29.76 H new ATOM 0 HD11 LEU A 182 13.094 19.211 24.591 1.00 26.09 H new ATOM 0 HD12 LEU A 182 11.854 19.160 25.575 1.00 26.09 H new ATOM 0 HD13 LEU A 182 13.251 18.569 26.030 1.00 26.09 H new ATOM 0 HD21 LEU A 182 13.910 17.139 23.518 1.00 22.78 H new ATOM 0 HD22 LEU A 182 14.078 16.409 24.913 1.00 22.78 H new ATOM 0 HD23 LEU A 182 13.185 15.756 23.780 1.00 22.78 H new ATOM 1436 N THR A 183 9.043 14.535 26.750 1.00 31.09 N ATOM 1437 CA THR A 183 8.564 13.874 27.954 1.00 37.98 C ATOM 1438 C THR A 183 7.517 12.815 27.670 1.00 37.14 C ATOM 1439 O THR A 183 7.030 12.162 28.592 1.00 44.47 O ATOM 1440 CB THR A 183 7.989 14.893 28.941 1.00 34.54 C ATOM 1441 OG1 THR A 183 6.870 15.563 28.350 1.00 36.86 O ATOM 1442 CG2 THR A 183 9.027 15.914 29.269 1.00 34.09 C ATOM 0 H THR A 183 8.458 15.012 26.338 1.00 31.09 H new ATOM 0 HA THR A 183 9.336 13.433 28.342 1.00 37.98 H new ATOM 0 HB THR A 183 7.711 14.426 29.745 1.00 34.54 H new ATOM 0 HG1 THR A 183 7.144 16.132 27.796 1.00 36.86 H new ATOM 0 HG21 THR A 183 8.661 16.559 29.894 1.00 34.09 H new ATOM 0 HG22 THR A 183 9.796 15.477 29.668 1.00 34.09 H new ATOM 0 HG23 THR A 183 9.300 16.370 28.458 1.00 34.09 H new ATOM 1443 N ALA A 184 7.177 12.638 26.396 1.00 32.78 N ATOM 1444 CA ALA A 184 6.084 11.749 26.037 1.00 32.25 C ATOM 1445 C ALA A 184 6.233 11.205 24.639 1.00 35.38 C ATOM 1446 O ALA A 184 7.088 11.645 23.875 1.00 37.57 O ATOM 1447 CB ALA A 184 4.740 12.460 26.189 1.00 27.29 C ATOM 0 H ALA A 184 7.565 13.021 25.731 1.00 32.78 H new ATOM 0 HA ALA A 184 6.114 10.996 26.648 1.00 32.25 H new ATOM 0 HB1 ALA A 184 4.023 11.853 25.946 1.00 27.29 H new ATOM 0 HB2 ALA A 184 4.625 12.742 27.110 1.00 27.29 H new ATOM 0 HB3 ALA A 184 4.717 13.236 25.608 1.00 27.29 H new ATOM 1448 N ASP A 185 5.398 10.220 24.327 1.00 40.96 N ATOM 1449 CA ASP A 185 5.303 9.669 22.989 1.00 37.67 C ATOM 1450 C ASP A 185 4.451 10.608 22.148 1.00 42.26 C ATOM 1451 O ASP A 185 3.261 10.358 21.936 1.00 38.13 O ATOM 1452 CB ASP A 185 4.664 8.284 23.037 1.00 48.02 C ATOM 1453 CG ASP A 185 5.684 7.173 22.979 1.00 59.01 C ATOM 1454 OD1 ASP A 185 6.838 7.464 22.602 1.00 68.54 O ATOM 1455 OD2 ASP A 185 5.330 6.013 23.295 1.00 67.46 O ATOM 0 H ASP A 185 4.867 9.852 24.894 1.00 40.96 H new ATOM 0 HA ASP A 185 6.187 9.582 22.600 1.00 37.67 H new ATOM 0 HB2 ASP A 185 4.144 8.199 23.852 1.00 48.02 H new ATOM 0 HB3 ASP A 185 4.046 8.191 22.295 1.00 48.02 H new ATOM 1456 N TYR A 186 5.068 11.692 21.681 1.00 37.98 N ATOM 1457 CA TYR A 186 4.345 12.770 21.022 1.00 31.55 C ATOM 1458 C TYR A 186 5.194 13.397 19.936 1.00 32.41 C ATOM 1459 O TYR A 186 6.354 13.723 20.164 1.00 30.46 O ATOM 1460 CB TYR A 186 3.953 13.823 22.049 1.00 30.59 C ATOM 1461 CG TYR A 186 3.201 15.006 21.495 1.00 31.63 C ATOM 1462 CD1 TYR A 186 1.819 14.964 21.334 1.00 29.81 C ATOM 1463 CD2 TYR A 186 3.867 16.184 21.163 1.00 29.84 C ATOM 1464 CE1 TYR A 186 1.118 16.061 20.841 1.00 30.28 C ATOM 1465 CE2 TYR A 186 3.180 17.281 20.665 1.00 25.18 C ATOM 1466 CZ TYR A 186 1.803 17.218 20.509 1.00 29.51 C ATOM 1467 OH TYR A 186 1.119 18.308 20.008 1.00 23.53 O ATOM 0 H TYR A 186 5.916 11.820 21.739 1.00 37.98 H new ATOM 0 HA TYR A 186 3.545 12.405 20.612 1.00 31.55 H new ATOM 0 HB2 TYR A 186 3.408 13.402 22.732 1.00 30.59 H new ATOM 0 HB3 TYR A 186 4.757 14.144 22.486 1.00 30.59 H new ATOM 0 HD1 TYR A 186 1.356 14.190 21.560 1.00 29.81 H new ATOM 0 HD2 TYR A 186 4.788 16.236 21.277 1.00 29.84 H new ATOM 0 HE1 TYR A 186 0.195 16.017 20.735 1.00 30.28 H new ATOM 0 HE2 TYR A 186 3.641 18.056 20.437 1.00 25.18 H new ATOM 0 HH TYR A 186 0.298 18.219 20.163 1.00 23.53 H new ATOM 1468 N ALA A 187 4.612 13.547 18.751 1.00 30.10 N ATOM 1469 CA ALA A 187 5.280 14.212 17.642 1.00 28.20 C ATOM 1470 C ALA A 187 4.603 15.551 17.391 1.00 27.19 C ATOM 1471 O ALA A 187 3.375 15.641 17.387 1.00 24.84 O ATOM 1472 CB ALA A 187 5.240 13.342 16.391 1.00 21.76 C ATOM 0 H ALA A 187 3.820 13.266 18.569 1.00 30.10 H new ATOM 0 HA ALA A 187 6.212 14.360 17.866 1.00 28.20 H new ATOM 0 HB1 ALA A 187 5.689 13.800 15.663 1.00 21.76 H new ATOM 0 HB2 ALA A 187 5.688 12.500 16.568 1.00 21.76 H new ATOM 0 HB3 ALA A 187 4.317 13.171 16.145 1.00 21.76 H new ATOM 1473 N LEU A 188 5.397 16.600 17.202 1.00 27.36 N ATOM 1474 CA LEU A 188 4.830 17.928 16.992 1.00 20.54 C ATOM 1475 C LEU A 188 4.896 18.356 15.532 1.00 18.95 C ATOM 1476 O LEU A 188 5.960 18.366 14.929 1.00 19.92 O ATOM 1477 CB LEU A 188 5.524 18.971 17.871 1.00 20.77 C ATOM 1478 CG LEU A 188 5.021 20.403 17.646 1.00 26.70 C ATOM 1479 CD1 LEU A 188 3.538 20.547 18.029 1.00 21.83 C ATOM 1480 CD2 LEU A 188 5.864 21.404 18.415 1.00 26.77 C ATOM 0 H LEU A 188 6.256 16.566 17.192 1.00 27.36 H new ATOM 0 HA LEU A 188 3.895 17.873 17.246 1.00 20.54 H new ATOM 0 HB2 LEU A 188 5.395 18.734 18.803 1.00 20.77 H new ATOM 0 HB3 LEU A 188 6.479 18.942 17.701 1.00 20.77 H new ATOM 0 HG LEU A 188 5.106 20.592 16.698 1.00 26.70 H new ATOM 0 HD11 LEU A 188 3.251 21.461 17.876 1.00 21.83 H new ATOM 0 HD12 LEU A 188 3.004 19.946 17.487 1.00 21.83 H new ATOM 0 HD13 LEU A 188 3.423 20.325 18.966 1.00 21.83 H new ATOM 0 HD21 LEU A 188 5.527 22.300 18.257 1.00 26.77 H new ATOM 0 HD22 LEU A 188 5.819 21.205 19.363 1.00 26.77 H new ATOM 0 HD23 LEU A 188 6.785 21.348 18.117 1.00 26.77 H new ATOM 1481 N LEU A 189 3.751 18.704 14.961 1.00 22.34 N ATOM 1482 CA LEU A 189 3.747 19.302 13.627 1.00 23.27 C ATOM 1483 C LEU A 189 4.178 20.756 13.788 1.00 22.63 C ATOM 1484 O LEU A 189 3.507 21.554 14.450 1.00 23.77 O ATOM 1485 CB LEU A 189 2.373 19.190 12.954 1.00 20.57 C ATOM 1486 CG LEU A 189 1.969 17.852 12.295 1.00 24.31 C ATOM 1487 CD1 LEU A 189 2.882 17.506 11.122 1.00 30.08 C ATOM 1488 CD2 LEU A 189 1.944 16.697 13.285 1.00 20.52 C ATOM 0 H LEU A 189 2.975 18.606 15.319 1.00 22.34 H new ATOM 0 HA LEU A 189 4.361 18.828 13.044 1.00 23.27 H new ATOM 0 HB2 LEU A 189 1.702 19.402 13.621 1.00 20.57 H new ATOM 0 HB3 LEU A 189 2.323 19.879 12.273 1.00 20.57 H new ATOM 0 HG LEU A 189 1.066 17.980 11.965 1.00 24.31 H new ATOM 0 HD11 LEU A 189 2.602 16.663 10.732 1.00 30.08 H new ATOM 0 HD12 LEU A 189 2.828 18.206 10.452 1.00 30.08 H new ATOM 0 HD13 LEU A 189 3.797 17.429 11.435 1.00 30.08 H new ATOM 0 HD21 LEU A 189 1.686 15.882 12.826 1.00 20.52 H new ATOM 0 HD22 LEU A 189 2.826 16.584 13.673 1.00 20.52 H new ATOM 0 HD23 LEU A 189 1.304 16.887 13.989 1.00 20.52 H new ATOM 1489 N MET A 190 5.306 21.087 13.183 1.00 21.94 N ATOM 1490 CA MET A 190 6.008 22.327 13.481 1.00 23.83 C ATOM 1491 C MET A 190 6.587 22.908 12.185 1.00 22.54 C ATOM 1492 O MET A 190 6.839 22.170 11.228 1.00 20.16 O ATOM 1493 CB MET A 190 7.127 22.015 14.484 1.00 15.64 C ATOM 1494 CG MET A 190 7.984 23.188 14.890 1.00 29.42 C ATOM 1495 SD MET A 190 9.288 22.748 16.056 1.00 28.85 S ATOM 1496 CE MET A 190 8.822 23.765 17.453 1.00 26.32 C ATOM 0 H MET A 190 5.689 20.600 12.587 1.00 21.94 H new ATOM 0 HA MET A 190 5.404 22.982 13.864 1.00 23.83 H new ATOM 0 HB2 MET A 190 6.727 21.635 15.282 1.00 15.64 H new ATOM 0 HB3 MET A 190 7.701 21.333 14.102 1.00 15.64 H new ATOM 0 HG2 MET A 190 8.385 23.577 14.097 1.00 29.42 H new ATOM 0 HG3 MET A 190 7.420 23.870 15.287 1.00 29.42 H new ATOM 0 HE1 MET A 190 9.550 24.367 17.672 1.00 26.32 H new ATOM 0 HE2 MET A 190 8.032 24.281 17.229 1.00 26.32 H new ATOM 0 HE3 MET A 190 8.631 23.198 18.217 1.00 26.32 H new ATOM 1497 N GLU A 191 6.808 24.220 12.149 1.00 19.02 N ATOM 1498 CA GLU A 191 7.407 24.844 10.972 1.00 15.81 C ATOM 1499 C GLU A 191 8.911 24.584 10.932 1.00 17.02 C ATOM 1500 O GLU A 191 9.554 24.524 11.968 1.00 17.74 O ATOM 1501 CB GLU A 191 7.041 26.326 10.905 1.00 18.03 C ATOM 1502 CG GLU A 191 5.532 26.510 10.725 1.00 18.34 C ATOM 1503 CD GLU A 191 5.071 27.947 10.822 1.00 20.84 C ATOM 1504 OE1 GLU A 191 5.612 28.715 11.656 1.00 21.06 O ATOM 1505 OE2 GLU A 191 4.144 28.299 10.063 1.00 19.90 O ATOM 0 H GLU A 191 6.620 24.762 12.789 1.00 19.02 H new ATOM 0 HA GLU A 191 7.042 24.438 10.170 1.00 15.81 H new ATOM 0 HB2 GLU A 191 7.330 26.771 11.717 1.00 18.03 H new ATOM 0 HB3 GLU A 191 7.512 26.746 10.168 1.00 18.03 H new ATOM 0 HG2 GLU A 191 5.273 26.155 9.860 1.00 18.34 H new ATOM 0 HG3 GLU A 191 5.069 25.986 11.397 1.00 18.34 H new ATOM 1506 N SER A 192 9.457 24.419 9.730 1.00 16.92 N ATOM 1507 CA SER A 192 10.781 23.813 9.549 1.00 17.36 C ATOM 1508 C SER A 192 11.976 24.628 10.032 1.00 22.42 C ATOM 1509 O SER A 192 12.997 24.060 10.407 1.00 21.27 O ATOM 1510 CB SER A 192 10.992 23.441 8.081 1.00 21.85 C ATOM 1511 OG SER A 192 10.837 24.575 7.248 1.00 18.22 O ATOM 0 H SER A 192 9.074 24.653 8.996 1.00 16.92 H new ATOM 0 HA SER A 192 10.760 23.033 10.125 1.00 17.36 H new ATOM 0 HB2 SER A 192 11.879 23.066 7.962 1.00 21.85 H new ATOM 0 HB3 SER A 192 10.357 22.755 7.822 1.00 21.85 H new ATOM 0 HG SER A 192 11.556 24.724 6.841 1.00 18.22 H new ATOM 1512 N THR A 193 11.871 25.951 10.003 1.00 20.61 N ATOM 1513 CA THR A 193 12.972 26.785 10.465 1.00 21.83 C ATOM 1514 C THR A 193 13.130 26.660 11.975 1.00 19.88 C ATOM 1515 O THR A 193 14.242 26.735 12.518 1.00 20.10 O ATOM 1516 CB THR A 193 12.755 28.251 10.077 1.00 20.94 C ATOM 1517 OG1 THR A 193 11.378 28.588 10.301 1.00 36.85 O ATOM 1518 CG2 THR A 193 13.064 28.438 8.611 1.00 27.00 C ATOM 0 H THR A 193 11.181 26.381 9.724 1.00 20.61 H new ATOM 0 HA THR A 193 13.784 26.476 10.034 1.00 21.83 H new ATOM 0 HB THR A 193 13.336 28.818 10.609 1.00 20.94 H new ATOM 0 HG1 THR A 193 11.263 29.407 10.156 1.00 36.85 H new ATOM 0 HG21 THR A 193 12.926 29.367 8.367 1.00 27.00 H new ATOM 0 HG22 THR A 193 13.987 28.193 8.441 1.00 27.00 H new ATOM 0 HG23 THR A 193 12.478 27.875 8.082 1.00 27.00 H new ATOM 1519 N THR A 194 12.012 26.458 12.655 1.00 15.35 N ATOM 1520 CA THR A 194 12.059 26.280 14.098 1.00 20.92 C ATOM 1521 C THR A 194 12.612 24.898 14.448 1.00 21.31 C ATOM 1522 O THR A 194 13.370 24.756 15.396 1.00 16.26 O ATOM 1523 CB THR A 194 10.687 26.483 14.764 1.00 17.40 C ATOM 1524 OG1 THR A 194 10.121 27.730 14.340 1.00 18.94 O ATOM 1525 CG2 THR A 194 10.846 26.501 16.263 1.00 20.75 C ATOM 0 H THR A 194 11.226 26.421 12.307 1.00 15.35 H new ATOM 0 HA THR A 194 12.652 26.964 14.446 1.00 20.92 H new ATOM 0 HB THR A 194 10.101 25.754 14.506 1.00 17.40 H new ATOM 0 HG1 THR A 194 9.284 27.690 14.393 1.00 18.94 H new ATOM 0 HG21 THR A 194 9.979 26.629 16.679 1.00 20.75 H new ATOM 0 HG22 THR A 194 11.225 25.658 16.559 1.00 20.75 H new ATOM 0 HG23 THR A 194 11.437 27.227 16.517 1.00 20.75 H new ATOM 1526 N ILE A 195 12.235 23.888 13.668 1.00 22.40 N ATOM 1527 CA ILE A 195 12.745 22.537 13.867 1.00 21.67 C ATOM 1528 C ILE A 195 14.255 22.557 13.726 1.00 21.10 C ATOM 1529 O ILE A 195 14.983 21.987 14.534 1.00 28.92 O ATOM 1530 CB ILE A 195 12.178 21.567 12.833 1.00 18.24 C ATOM 1531 CG1 ILE A 195 10.675 21.377 13.053 1.00 22.49 C ATOM 1532 CG2 ILE A 195 12.944 20.239 12.870 1.00 17.46 C ATOM 1533 CD1 ILE A 195 10.023 20.370 12.103 1.00 19.39 C ATOM 0 H ILE A 195 11.681 23.966 13.015 1.00 22.40 H new ATOM 0 HA ILE A 195 12.478 22.240 14.751 1.00 21.67 H new ATOM 0 HB ILE A 195 12.295 21.940 11.945 1.00 18.24 H new ATOM 0 HG12 ILE A 195 10.526 21.087 13.967 1.00 22.49 H new ATOM 0 HG13 ILE A 195 10.233 22.234 12.952 1.00 22.49 H new ATOM 0 HG21 ILE A 195 12.574 19.633 12.209 1.00 17.46 H new ATOM 0 HG22 ILE A 195 13.880 20.400 12.673 1.00 17.46 H new ATOM 0 HG23 ILE A 195 12.863 19.843 13.752 1.00 17.46 H new ATOM 0 HD11 ILE A 195 9.076 20.304 12.302 1.00 19.39 H new ATOM 0 HD12 ILE A 195 10.141 20.666 11.187 1.00 19.39 H new ATOM 0 HD13 ILE A 195 10.439 19.501 12.217 1.00 19.39 H new ATOM 1534 N GLU A 196 14.716 23.244 12.696 1.00 19.47 N ATOM 1535 CA GLU A 196 16.142 23.377 12.434 1.00 21.79 C ATOM 1536 C GLU A 196 16.865 24.011 13.620 1.00 17.66 C ATOM 1537 O GLU A 196 17.947 23.585 13.985 1.00 22.53 O ATOM 1538 CB GLU A 196 16.356 24.176 11.143 1.00 18.40 C ATOM 1539 CG GLU A 196 17.751 24.714 10.941 1.00 23.37 C ATOM 1540 CD GLU A 196 17.890 25.557 9.660 1.00 38.89 C ATOM 1541 OE1 GLU A 196 16.858 25.906 9.022 1.00 30.44 O ATOM 1542 OE2 GLU A 196 19.049 25.866 9.294 1.00 47.83 O ATOM 0 H GLU A 196 14.213 23.648 12.127 1.00 19.47 H new ATOM 0 HA GLU A 196 16.525 22.494 12.314 1.00 21.79 H new ATOM 0 HB2 GLU A 196 16.132 23.609 10.388 1.00 18.40 H new ATOM 0 HB3 GLU A 196 15.734 24.920 11.134 1.00 18.40 H new ATOM 0 HG2 GLU A 196 17.998 25.255 11.707 1.00 23.37 H new ATOM 0 HG3 GLU A 196 18.376 23.973 10.904 1.00 23.37 H new ATOM 1543 N TYR A 197 16.255 25.014 14.237 1.00 19.41 N ATOM 1544 CA TYR A 197 16.867 25.666 15.393 1.00 22.59 C ATOM 1545 C TYR A 197 16.861 24.738 16.606 1.00 21.68 C ATOM 1546 O TYR A 197 17.858 24.618 17.302 1.00 17.65 O ATOM 1547 CB TYR A 197 16.143 26.978 15.720 1.00 16.71 C ATOM 1548 CG TYR A 197 16.450 27.579 17.080 1.00 15.38 C ATOM 1549 CD1 TYR A 197 17.522 28.444 17.266 1.00 20.38 C ATOM 1550 CD2 TYR A 197 15.644 27.314 18.163 1.00 20.26 C ATOM 1551 CE1 TYR A 197 17.783 29.008 18.509 1.00 20.70 C ATOM 1552 CE2 TYR A 197 15.894 27.870 19.404 1.00 22.76 C ATOM 1553 CZ TYR A 197 16.961 28.713 19.575 1.00 23.00 C ATOM 1554 OH TYR A 197 17.189 29.253 20.827 1.00 30.25 O ATOM 0 H TYR A 197 15.490 25.333 14.006 1.00 19.41 H new ATOM 0 HA TYR A 197 17.789 25.870 15.170 1.00 22.59 H new ATOM 0 HB2 TYR A 197 16.368 27.631 15.038 1.00 16.71 H new ATOM 0 HB3 TYR A 197 15.187 26.824 15.661 1.00 16.71 H new ATOM 0 HD1 TYR A 197 18.074 28.649 16.546 1.00 20.38 H new ATOM 0 HD2 TYR A 197 14.914 26.748 18.058 1.00 20.26 H new ATOM 0 HE1 TYR A 197 18.507 29.581 18.621 1.00 20.70 H new ATOM 0 HE2 TYR A 197 15.338 27.672 20.123 1.00 22.76 H new ATOM 0 HH TYR A 197 16.497 29.175 21.296 1.00 30.25 H new ATOM 1555 N ILE A 198 15.719 24.102 16.856 1.00 22.58 N ATOM 1556 CA ILE A 198 15.548 23.206 17.999 1.00 22.26 C ATOM 1557 C ILE A 198 16.485 21.986 17.958 1.00 22.76 C ATOM 1558 O ILE A 198 17.114 21.659 18.963 1.00 23.48 O ATOM 1559 CB ILE A 198 14.069 22.742 18.135 1.00 23.59 C ATOM 1560 CG1 ILE A 198 13.174 23.932 18.475 1.00 26.67 C ATOM 1561 CG2 ILE A 198 13.924 21.706 19.228 1.00 22.44 C ATOM 1562 CD1 ILE A 198 13.493 24.561 19.833 1.00 29.23 C ATOM 0 H ILE A 198 15.017 24.178 16.365 1.00 22.58 H new ATOM 0 HA ILE A 198 15.792 23.725 18.781 1.00 22.26 H new ATOM 0 HB ILE A 198 13.803 22.354 17.287 1.00 23.59 H new ATOM 0 HG12 ILE A 198 13.266 24.606 17.784 1.00 26.67 H new ATOM 0 HG13 ILE A 198 12.248 23.644 18.468 1.00 26.67 H new ATOM 0 HG21 ILE A 198 12.996 21.433 19.294 1.00 22.44 H new ATOM 0 HG22 ILE A 198 14.474 20.935 19.018 1.00 22.44 H new ATOM 0 HG23 ILE A 198 14.210 22.085 20.074 1.00 22.44 H new ATOM 0 HD11 ILE A 198 12.895 25.308 19.992 1.00 29.23 H new ATOM 0 HD12 ILE A 198 13.376 23.899 20.532 1.00 29.23 H new ATOM 0 HD13 ILE A 198 14.411 24.876 19.837 1.00 29.23 H new ATOM 1563 N THR A 199 16.595 21.338 16.794 1.00 20.91 N ATOM 1564 CA THR A 199 17.406 20.122 16.652 1.00 18.49 C ATOM 1565 C THR A 199 18.927 20.332 16.724 1.00 16.85 C ATOM 1566 O THR A 199 19.668 19.375 16.804 1.00 19.17 O ATOM 1567 CB THR A 199 17.074 19.357 15.346 1.00 20.18 C ATOM 1568 OG1 THR A 199 17.276 20.219 14.225 1.00 21.90 O ATOM 1569 CG2 THR A 199 15.625 18.878 15.346 1.00 22.85 C ATOM 0 H THR A 199 16.205 21.588 16.070 1.00 20.91 H new ATOM 0 HA THR A 199 17.158 19.598 17.430 1.00 18.49 H new ATOM 0 HB THR A 199 17.659 18.585 15.289 1.00 20.18 H new ATOM 0 HG1 THR A 199 16.648 20.775 14.182 1.00 21.90 H new ATOM 0 HG21 THR A 199 15.441 18.403 14.521 1.00 22.85 H new ATOM 0 HG22 THR A 199 15.480 18.284 16.099 1.00 22.85 H new ATOM 0 HG23 THR A 199 15.031 19.642 15.418 1.00 22.85 H new ATOM 1570 N GLN A 200 19.393 21.572 16.664 1.00 17.35 N ATOM 1571 CA GLN A 200 20.811 21.851 16.868 1.00 25.93 C ATOM 1572 C GLN A 200 21.087 21.940 18.356 1.00 21.75 C ATOM 1573 O GLN A 200 22.231 21.931 18.791 1.00 27.30 O ATOM 1574 CB GLN A 200 21.221 23.183 16.229 1.00 25.97 C ATOM 1575 CG GLN A 200 21.132 23.245 14.722 1.00 36.52 C ATOM 1576 CD GLN A 200 21.558 24.612 14.191 1.00 57.05 C ATOM 1577 OE1 GLN A 200 20.746 25.367 13.645 1.00 39.40 O ATOM 1578 NE2 GLN A 200 22.840 24.938 14.361 1.00 57.66 N ATOM 0 H GLN A 200 18.909 22.265 16.507 1.00 17.35 H new ATOM 0 HA GLN A 200 21.319 21.135 16.455 1.00 25.93 H new ATOM 0 HB2 GLN A 200 20.662 23.885 16.598 1.00 25.97 H new ATOM 0 HB3 GLN A 200 22.134 23.380 16.490 1.00 25.97 H new ATOM 0 HG2 GLN A 200 21.695 22.557 14.335 1.00 36.52 H new ATOM 0 HG3 GLN A 200 20.222 23.057 14.443 1.00 36.52 H new ATOM 0 HE21 GLN A 200 23.376 24.387 14.746 1.00 57.66 H new ATOM 0 HE22 GLN A 200 23.130 25.699 14.086 1.00 57.66 H new ATOM 1579 N ARG A 201 20.024 22.061 19.138 1.00 25.15 N ATOM 1580 CA ARG A 201 20.168 22.323 20.560 1.00 20.89 C ATOM 1581 C ARG A 201 19.740 21.139 21.402 1.00 24.77 C ATOM 1582 O ARG A 201 20.415 20.776 22.354 1.00 29.25 O ATOM 1583 CB ARG A 201 19.385 23.577 20.928 1.00 27.25 C ATOM 1584 CG ARG A 201 20.120 24.815 20.479 1.00 24.46 C ATOM 1585 CD ARG A 201 19.256 26.028 20.277 1.00 22.61 C ATOM 1586 NE ARG A 201 20.133 27.121 19.858 1.00 39.44 N ATOM 1587 CZ ARG A 201 20.639 27.260 18.629 1.00 42.75 C ATOM 1588 NH1 ARG A 201 20.334 26.394 17.658 1.00 24.80 N ATOM 1589 NH2 ARG A 201 21.441 28.288 18.363 1.00 40.72 N ATOM 0 H ARG A 201 19.211 21.995 18.865 1.00 25.15 H new ATOM 0 HA ARG A 201 21.108 22.469 20.750 1.00 20.89 H new ATOM 0 HB2 ARG A 201 18.508 23.549 20.516 1.00 27.25 H new ATOM 0 HB3 ARG A 201 19.247 23.608 21.888 1.00 27.25 H new ATOM 0 HG2 ARG A 201 20.802 25.026 21.136 1.00 24.46 H new ATOM 0 HG3 ARG A 201 20.578 24.619 19.647 1.00 24.46 H new ATOM 0 HD2 ARG A 201 18.578 25.857 19.605 1.00 22.61 H new ATOM 0 HD3 ARG A 201 18.791 26.257 21.097 1.00 22.61 H new ATOM 0 HE ARG A 201 20.337 27.716 20.444 1.00 39.44 H new ATOM 0 HH11 ARG A 201 19.805 25.735 17.820 1.00 24.80 H new ATOM 0 HH12 ARG A 201 20.667 26.495 16.871 1.00 24.80 H new ATOM 0 HH21 ARG A 201 21.630 28.857 18.980 1.00 40.72 H new ATOM 0 HH22 ARG A 201 21.770 28.384 17.574 1.00 40.72 H new ATOM 1590 N ASN A 202 18.611 20.542 21.049 1.00 24.72 N ATOM 1591 CA ASN A 202 18.167 19.332 21.717 1.00 25.53 C ATOM 1592 C ASN A 202 18.500 18.139 20.845 1.00 25.32 C ATOM 1593 O ASN A 202 17.755 17.791 19.926 1.00 24.61 O ATOM 1594 CB ASN A 202 16.684 19.406 22.045 1.00 20.59 C ATOM 1595 CG ASN A 202 16.366 20.563 22.966 1.00 25.38 C ATOM 1596 OD1 ASN A 202 16.254 21.702 22.523 1.00 30.01 O ATOM 1597 ND2 ASN A 202 16.232 20.281 24.255 1.00 28.81 N ATOM 0 H ASN A 202 18.089 20.822 20.426 1.00 24.72 H new ATOM 0 HA ASN A 202 18.631 19.234 22.563 1.00 25.53 H new ATOM 0 HB2 ASN A 202 16.176 19.498 21.224 1.00 20.59 H new ATOM 0 HB3 ASN A 202 16.403 18.576 22.461 1.00 20.59 H new ATOM 0 HD21 ASN A 202 16.060 20.909 24.817 1.00 28.81 H new ATOM 0 HD22 ASN A 202 16.317 19.470 24.529 1.00 28.81 H new ATOM 1598 N CYS A 203 19.638 17.527 21.155 1.00 21.04 N ATOM 1599 CA CYS A 203 20.291 16.565 20.279 1.00 24.07 C ATOM 1600 C CYS A 203 19.551 15.243 20.118 1.00 28.09 C ATOM 1601 O CYS A 203 19.843 14.470 19.210 1.00 31.71 O ATOM 1602 CB CYS A 203 21.739 16.345 20.734 1.00 27.71 C ATOM 1603 SG CYS A 203 22.796 17.818 20.480 1.00 42.79 S ATOM 0 H CYS A 203 20.058 17.662 21.893 1.00 21.04 H new ATOM 0 HA CYS A 203 20.280 16.957 19.392 1.00 24.07 H new ATOM 0 HB2 CYS A 203 21.745 16.106 21.674 1.00 27.71 H new ATOM 0 HB3 CYS A 203 22.116 15.595 20.248 1.00 27.71 H new ATOM 1604 N ASN A 204 18.575 14.982 20.973 1.00 23.44 N ATOM 1605 CA ASN A 204 17.788 13.770 20.802 1.00 24.49 C ATOM 1606 C ASN A 204 16.509 13.998 19.978 1.00 31.93 C ATOM 1607 O ASN A 204 15.706 13.085 19.796 1.00 27.93 O ATOM 1608 CB ASN A 204 17.453 13.156 22.158 1.00 31.35 C ATOM 1609 CG ASN A 204 16.634 14.081 23.023 1.00 37.42 C ATOM 1610 OD1 ASN A 204 16.954 15.269 23.171 1.00 29.86 O ATOM 1611 ND2 ASN A 204 15.556 13.550 23.587 1.00 37.72 N ATOM 0 H ASN A 204 18.355 15.477 21.641 1.00 23.44 H new ATOM 0 HA ASN A 204 18.336 13.149 20.297 1.00 24.49 H new ATOM 0 HB2 ASN A 204 16.966 12.328 22.024 1.00 31.35 H new ATOM 0 HB3 ASN A 204 18.276 12.930 22.620 1.00 31.35 H new ATOM 0 HD21 ASN A 204 15.045 14.036 24.080 1.00 37.72 H new ATOM 0 HD22 ASN A 204 15.368 12.720 23.459 1.00 37.72 H new ATOM 1612 N LEU A 205 16.326 15.218 19.479 1.00 23.62 N ATOM 1613 CA LEU A 205 15.188 15.512 18.614 1.00 23.39 C ATOM 1614 C LEU A 205 15.619 15.582 17.154 1.00 22.14 C ATOM 1615 O LEU A 205 16.792 15.806 16.849 1.00 23.12 O ATOM 1616 CB LEU A 205 14.518 16.821 19.032 1.00 19.90 C ATOM 1617 CG LEU A 205 13.929 16.884 20.439 1.00 23.70 C ATOM 1618 CD1 LEU A 205 13.257 18.245 20.681 1.00 22.29 C ATOM 1619 CD2 LEU A 205 12.950 15.740 20.659 1.00 21.24 C ATOM 0 H LEU A 205 16.847 15.886 19.628 1.00 23.62 H new ATOM 0 HA LEU A 205 14.546 14.791 18.709 1.00 23.39 H new ATOM 0 HB2 LEU A 205 15.171 17.533 18.947 1.00 19.90 H new ATOM 0 HB3 LEU A 205 13.807 17.010 18.400 1.00 19.90 H new ATOM 0 HG LEU A 205 14.649 16.788 21.081 1.00 23.70 H new ATOM 0 HD11 LEU A 205 12.888 18.269 21.578 1.00 22.29 H new ATOM 0 HD12 LEU A 205 13.913 18.952 20.583 1.00 22.29 H new ATOM 0 HD13 LEU A 205 12.545 18.374 20.035 1.00 22.29 H new ATOM 0 HD21 LEU A 205 12.585 15.794 21.556 1.00 21.24 H new ATOM 0 HD22 LEU A 205 12.229 15.802 20.013 1.00 21.24 H new ATOM 0 HD23 LEU A 205 13.411 14.894 20.548 1.00 21.24 H new ATOM 1620 N THR A 206 14.675 15.392 16.246 1.00 20.30 N ATOM 1621 CA THR A 206 15.007 15.432 14.836 1.00 19.17 C ATOM 1622 C THR A 206 13.785 15.718 13.992 1.00 25.18 C ATOM 1623 O THR A 206 12.659 15.533 14.441 1.00 26.49 O ATOM 1624 CB THR A 206 15.639 14.113 14.370 1.00 29.70 C ATOM 1625 OG1 THR A 206 16.028 14.223 12.994 1.00 29.77 O ATOM 1626 CG2 THR A 206 14.656 12.965 14.544 1.00 27.92 C ATOM 0 H THR A 206 13.847 15.240 16.423 1.00 20.30 H new ATOM 0 HA THR A 206 15.650 16.149 14.721 1.00 19.17 H new ATOM 0 HB THR A 206 16.424 13.932 14.910 1.00 29.70 H new ATOM 0 HG1 THR A 206 16.375 13.501 12.742 1.00 29.77 H new ATOM 0 HG21 THR A 206 15.067 12.139 14.246 1.00 27.92 H new ATOM 0 HG22 THR A 206 14.413 12.886 15.480 1.00 27.92 H new ATOM 0 HG23 THR A 206 13.860 13.138 14.017 1.00 27.92 H new ATOM 1627 N GLN A 207 14.013 16.192 12.772 1.00 22.65 N ATOM 1628 CA GLN A 207 12.934 16.333 11.814 1.00 25.29 C ATOM 1629 C GLN A 207 12.575 14.967 11.243 1.00 27.22 C ATOM 1630 O GLN A 207 13.449 14.225 10.798 1.00 28.06 O ATOM 1631 CB GLN A 207 13.318 17.283 10.668 1.00 23.61 C ATOM 1632 CG GLN A 207 12.255 17.334 9.561 1.00 23.87 C ATOM 1633 CD GLN A 207 12.478 18.455 8.557 1.00 29.70 C ATOM 1634 OE1 GLN A 207 12.710 19.600 8.931 1.00 32.94 O ATOM 1635 NE2 GLN A 207 12.392 18.128 7.276 1.00 22.78 N ATOM 0 H GLN A 207 14.785 16.436 12.483 1.00 22.65 H new ATOM 0 HA GLN A 207 12.170 16.712 12.277 1.00 25.29 H new ATOM 0 HB2 GLN A 207 13.453 18.175 11.024 1.00 23.61 H new ATOM 0 HB3 GLN A 207 14.164 16.999 10.287 1.00 23.61 H new ATOM 0 HG2 GLN A 207 12.247 16.485 9.091 1.00 23.87 H new ATOM 0 HG3 GLN A 207 11.381 17.442 9.967 1.00 23.87 H new ATOM 0 HE21 GLN A 207 12.228 17.315 7.050 1.00 22.78 H new ATOM 0 HE22 GLN A 207 12.500 18.729 6.671 1.00 22.78 H new ATOM 1636 N ILE A 208 11.290 14.638 11.264 1.00 21.73 N ATOM 1637 CA ILE A 208 10.810 13.448 10.584 1.00 24.94 C ATOM 1638 C ILE A 208 10.216 13.817 9.228 1.00 29.34 C ATOM 1639 O ILE A 208 9.271 14.608 9.134 1.00 24.94 O ATOM 1640 CB ILE A 208 9.724 12.716 11.394 1.00 27.13 C ATOM 1641 CG1 ILE A 208 10.243 12.318 12.779 1.00 21.61 C ATOM 1642 CG2 ILE A 208 9.227 11.500 10.612 1.00 28.28 C ATOM 1643 CD1 ILE A 208 11.370 11.316 12.734 1.00 26.04 C ATOM 0 H ILE A 208 10.681 15.092 11.667 1.00 21.73 H new ATOM 0 HA ILE A 208 11.575 12.861 10.478 1.00 24.94 H new ATOM 0 HB ILE A 208 8.977 13.319 11.533 1.00 27.13 H new ATOM 0 HG12 ILE A 208 10.546 13.114 13.244 1.00 21.61 H new ATOM 0 HG13 ILE A 208 9.511 11.948 13.297 1.00 21.61 H new ATOM 0 HG21 ILE A 208 8.543 11.042 11.126 1.00 28.28 H new ATOM 0 HG22 ILE A 208 8.854 11.790 9.765 1.00 28.28 H new ATOM 0 HG23 ILE A 208 9.968 10.895 10.449 1.00 28.28 H new ATOM 0 HD11 ILE A 208 11.653 11.106 13.638 1.00 26.04 H new ATOM 0 HD12 ILE A 208 11.066 10.507 12.294 1.00 26.04 H new ATOM 0 HD13 ILE A 208 12.117 11.690 12.241 1.00 26.04 H new ATOM 1644 N GLY A 209 10.762 13.233 8.174 1.00 27.70 N ATOM 1645 CA GLY A 209 10.222 13.444 6.850 1.00 23.15 C ATOM 1646 C GLY A 209 10.620 14.783 6.268 1.00 28.14 C ATOM 1647 O GLY A 209 11.547 15.437 6.758 1.00 27.32 O ATOM 0 H GLY A 209 11.445 12.712 8.207 1.00 27.70 H new ATOM 0 HA2 GLY A 209 10.528 12.736 6.262 1.00 23.15 H new ATOM 0 HA3 GLY A 209 9.254 13.385 6.885 1.00 23.15 H new ATOM 1648 N GLY A 210 9.921 15.186 5.210 1.00 23.63 N ATOM 1649 CA GLY A 210 10.267 16.393 4.485 1.00 22.90 C ATOM 1650 C GLY A 210 9.276 17.503 4.752 1.00 28.90 C ATOM 1651 O GLY A 210 8.547 17.479 5.741 1.00 32.72 O ATOM 0 H GLY A 210 9.238 14.767 4.898 1.00 23.63 H new ATOM 0 HA2 GLY A 210 11.156 16.683 4.742 1.00 22.90 H new ATOM 0 HA3 GLY A 210 10.294 16.204 3.534 1.00 22.90 H new ATOM 1652 N LEU A 211 9.250 18.488 3.870 1.00 24.84 N ATOM 1653 CA LEU A 211 8.341 19.608 4.039 1.00 26.78 C ATOM 1654 C LEU A 211 6.979 19.277 3.425 1.00 23.93 C ATOM 1655 O LEU A 211 6.886 18.744 2.328 1.00 30.70 O ATOM 1656 CB LEU A 211 8.948 20.885 3.447 1.00 22.33 C ATOM 1657 CG LEU A 211 9.776 21.728 4.431 1.00 30.39 C ATOM 1658 CD1 LEU A 211 10.869 20.914 5.084 1.00 22.29 C ATOM 1659 CD2 LEU A 211 10.365 22.969 3.754 1.00 25.19 C ATOM 0 H LEU A 211 9.748 18.528 3.170 1.00 24.84 H new ATOM 0 HA LEU A 211 8.203 19.770 4.985 1.00 26.78 H new ATOM 0 HB2 LEU A 211 9.512 20.641 2.697 1.00 22.33 H new ATOM 0 HB3 LEU A 211 8.231 21.435 3.095 1.00 22.33 H new ATOM 0 HG LEU A 211 9.167 22.024 5.126 1.00 30.39 H new ATOM 0 HD11 LEU A 211 11.369 21.476 5.696 1.00 22.29 H new ATOM 0 HD12 LEU A 211 10.474 20.175 5.573 1.00 22.29 H new ATOM 0 HD13 LEU A 211 11.466 20.568 4.402 1.00 22.29 H new ATOM 0 HD21 LEU A 211 10.880 23.477 4.400 1.00 25.19 H new ATOM 0 HD22 LEU A 211 10.943 22.696 3.024 1.00 25.19 H new ATOM 0 HD23 LEU A 211 9.646 23.521 3.408 1.00 25.19 H new ATOM 1660 N ILE A 212 5.923 19.572 4.162 1.00 23.92 N ATOM 1661 CA ILE A 212 4.572 19.241 3.737 1.00 27.39 C ATOM 1662 C ILE A 212 4.022 20.346 2.827 1.00 27.80 C ATOM 1663 O ILE A 212 3.145 20.111 1.997 1.00 26.39 O ATOM 1664 CB ILE A 212 3.683 18.986 4.978 1.00 29.28 C ATOM 1665 CG1 ILE A 212 3.982 17.598 5.548 1.00 32.71 C ATOM 1666 CG2 ILE A 212 2.218 19.103 4.663 1.00 28.00 C ATOM 1667 CD1 ILE A 212 3.116 17.239 6.741 1.00 36.17 C ATOM 0 H ILE A 212 5.967 19.970 4.923 1.00 23.92 H new ATOM 0 HA ILE A 212 4.576 18.424 3.215 1.00 27.39 H new ATOM 0 HB ILE A 212 3.893 19.669 5.634 1.00 29.28 H new ATOM 0 HG12 ILE A 212 3.853 16.935 4.852 1.00 32.71 H new ATOM 0 HG13 ILE A 212 4.915 17.557 5.810 1.00 32.71 H new ATOM 0 HG21 ILE A 212 1.700 18.936 5.466 1.00 28.00 H new ATOM 0 HG22 ILE A 212 2.028 19.996 4.335 1.00 28.00 H new ATOM 0 HG23 ILE A 212 1.980 18.452 3.984 1.00 28.00 H new ATOM 0 HD11 ILE A 212 3.351 16.352 7.056 1.00 36.17 H new ATOM 0 HD12 ILE A 212 3.260 17.883 7.452 1.00 36.17 H new ATOM 0 HD13 ILE A 212 2.182 17.252 6.479 1.00 36.17 H new ATOM 1668 N ASP A 213 4.563 21.551 2.979 1.00 27.22 N ATOM 1669 CA ASP A 213 4.234 22.665 2.095 1.00 22.04 C ATOM 1670 C ASP A 213 5.400 23.638 2.038 1.00 24.10 C ATOM 1671 O ASP A 213 6.428 23.417 2.673 1.00 30.21 O ATOM 1672 CB ASP A 213 2.929 23.370 2.516 1.00 19.65 C ATOM 1673 CG ASP A 213 2.976 23.936 3.941 1.00 25.82 C ATOM 1674 OD1 ASP A 213 4.042 23.906 4.584 1.00 23.97 O ATOM 1675 OD2 ASP A 213 1.933 24.437 4.418 1.00 30.46 O ATOM 0 H ASP A 213 5.130 21.746 3.596 1.00 27.22 H new ATOM 0 HA ASP A 213 4.079 22.311 1.205 1.00 22.04 H new ATOM 0 HB2 ASP A 213 2.744 24.091 1.894 1.00 19.65 H new ATOM 0 HB3 ASP A 213 2.193 22.741 2.449 1.00 19.65 H new ATOM 1676 N SER A 214 5.243 24.705 1.268 1.00 26.70 N ATOM 1677 CA SER A 214 6.249 25.752 1.203 1.00 28.12 C ATOM 1678 C SER A 214 5.570 27.106 1.255 1.00 25.30 C ATOM 1679 O SER A 214 4.735 27.422 0.414 1.00 25.99 O ATOM 1680 CB SER A 214 7.078 25.647 -0.070 1.00 28.24 C ATOM 1681 OG SER A 214 8.180 26.537 -0.013 1.00 35.86 O ATOM 0 H SER A 214 4.554 24.842 0.771 1.00 26.70 H new ATOM 0 HA SER A 214 6.845 25.648 1.961 1.00 28.12 H new ATOM 0 HB2 SER A 214 7.394 24.737 -0.183 1.00 28.24 H new ATOM 0 HB3 SER A 214 6.527 25.854 -0.841 1.00 28.24 H new ATOM 0 HG SER A 214 8.631 26.470 -0.718 1.00 35.86 H new ATOM 1682 N LYS A 215 5.933 27.906 2.246 1.00 22.08 N ATOM 1683 CA LYS A 215 5.296 29.198 2.428 1.00 20.06 C ATOM 1684 C LYS A 215 6.251 30.178 3.087 1.00 17.91 C ATOM 1685 O LYS A 215 7.415 29.854 3.300 1.00 16.08 O ATOM 1686 CB LYS A 215 4.013 29.035 3.241 1.00 18.27 C ATOM 1687 CG LYS A 215 4.200 28.325 4.537 1.00 20.40 C ATOM 1688 CD LYS A 215 2.899 27.655 4.984 1.00 23.68 C ATOM 1689 CE LYS A 215 3.162 26.742 6.178 1.00 20.23 C ATOM 1690 NZ LYS A 215 1.911 26.155 6.729 1.00 21.63 N ATOM 0 H LYS A 215 6.544 27.720 2.822 1.00 22.08 H new ATOM 0 HA LYS A 215 5.061 29.561 1.560 1.00 20.06 H new ATOM 0 HB2 LYS A 215 3.638 29.913 3.415 1.00 18.27 H new ATOM 0 HB3 LYS A 215 3.363 28.550 2.708 1.00 18.27 H new ATOM 0 HG2 LYS A 215 4.898 27.657 4.447 1.00 20.40 H new ATOM 0 HG3 LYS A 215 4.494 28.953 5.215 1.00 20.40 H new ATOM 0 HD2 LYS A 215 2.245 28.330 5.222 1.00 23.68 H new ATOM 0 HD3 LYS A 215 2.523 27.142 4.252 1.00 23.68 H new ATOM 0 HE2 LYS A 215 3.761 26.028 5.910 1.00 20.23 H new ATOM 0 HE3 LYS A 215 3.614 27.245 6.873 1.00 20.23 H new ATOM 0 HZ1 LYS A 215 2.042 25.920 7.577 1.00 21.63 H new ATOM 0 HZ2 LYS A 215 1.257 26.757 6.686 1.00 21.63 H new ATOM 0 HZ3 LYS A 215 1.685 25.437 6.254 1.00 21.63 H new ATOM 1691 N GLY A 216 5.768 31.377 3.402 1.00 14.44 N ATOM 1692 CA GLY A 216 6.634 32.383 3.981 1.00 13.23 C ATOM 1693 C GLY A 216 6.154 32.971 5.291 1.00 15.82 C ATOM 1694 O GLY A 216 4.972 32.862 5.646 1.00 14.39 O ATOM 0 H GLY A 216 4.951 31.621 3.288 1.00 14.44 H new ATOM 0 HA2 GLY A 216 7.511 31.993 4.120 1.00 13.23 H new ATOM 0 HA3 GLY A 216 6.743 33.103 3.340 1.00 13.23 H new ATOM 1695 N TYR A 217 7.085 33.579 6.023 1.00 11.98 N ATOM 1696 CA TYR A 217 6.738 34.488 7.120 1.00 15.84 C ATOM 1697 C TYR A 217 6.639 35.931 6.606 1.00 15.47 C ATOM 1698 O TYR A 217 7.402 36.357 5.740 1.00 12.35 O ATOM 1699 CB TYR A 217 7.803 34.459 8.224 1.00 13.69 C ATOM 1700 CG TYR A 217 7.894 33.172 9.008 1.00 16.94 C ATOM 1701 CD1 TYR A 217 6.755 32.448 9.340 1.00 12.37 C ATOM 1702 CD2 TYR A 217 9.127 32.689 9.423 1.00 15.64 C ATOM 1703 CE1 TYR A 217 6.847 31.286 10.062 1.00 13.67 C ATOM 1704 CE2 TYR A 217 9.236 31.528 10.143 1.00 13.45 C ATOM 1705 CZ TYR A 217 8.100 30.825 10.462 1.00 19.15 C ATOM 1706 OH TYR A 217 8.227 29.661 11.180 1.00 18.08 O ATOM 0 H TYR A 217 7.930 33.479 5.901 1.00 11.98 H new ATOM 0 HA TYR A 217 5.886 34.192 7.477 1.00 15.84 H new ATOM 0 HB2 TYR A 217 8.668 34.636 7.822 1.00 13.69 H new ATOM 0 HB3 TYR A 217 7.624 35.184 8.843 1.00 13.69 H new ATOM 0 HD1 TYR A 217 5.920 32.755 9.069 1.00 12.37 H new ATOM 0 HD2 TYR A 217 9.897 33.164 9.208 1.00 15.64 H new ATOM 0 HE1 TYR A 217 6.080 30.809 10.283 1.00 13.67 H new ATOM 0 HE2 TYR A 217 10.071 31.219 10.413 1.00 13.45 H new ATOM 0 HH TYR A 217 7.465 29.347 11.341 1.00 18.08 H new ATOM 1707 N GLY A 218 5.729 36.704 7.173 1.00 15.26 N ATOM 1708 CA GLY A 218 5.606 38.087 6.768 1.00 14.86 C ATOM 1709 C GLY A 218 5.301 38.962 7.958 1.00 15.98 C ATOM 1710 O GLY A 218 4.787 38.490 8.960 1.00 13.18 O ATOM 0 H GLY A 218 5.181 36.451 7.785 1.00 15.26 H new ATOM 0 HA2 GLY A 218 6.429 38.380 6.347 1.00 14.86 H new ATOM 0 HA3 GLY A 218 4.902 38.174 6.107 1.00 14.86 H new ATOM 1711 N ILE A 219 5.630 40.241 7.848 1.00 13.92 N ATOM 1712 CA ILE A 219 5.224 41.195 8.856 1.00 14.57 C ATOM 1713 C ILE A 219 3.777 41.554 8.607 1.00 16.11 C ATOM 1714 O ILE A 219 3.435 42.074 7.539 1.00 17.49 O ATOM 1715 CB ILE A 219 6.111 42.446 8.823 1.00 12.73 C ATOM 1716 CG1 ILE A 219 7.496 42.083 9.362 1.00 16.14 C ATOM 1717 CG2 ILE A 219 5.509 43.546 9.668 1.00 10.27 C ATOM 1718 CD1 ILE A 219 8.450 43.231 9.363 1.00 22.08 C ATOM 0 H ILE A 219 6.086 40.572 7.199 1.00 13.92 H new ATOM 0 HA ILE A 219 5.322 40.802 9.738 1.00 14.57 H new ATOM 0 HB ILE A 219 6.181 42.765 7.909 1.00 12.73 H new ATOM 0 HG12 ILE A 219 7.405 41.745 10.267 1.00 16.14 H new ATOM 0 HG13 ILE A 219 7.866 41.364 8.827 1.00 16.14 H new ATOM 0 HG21 ILE A 219 6.081 44.329 9.636 1.00 10.27 H new ATOM 0 HG22 ILE A 219 4.631 43.774 9.325 1.00 10.27 H new ATOM 0 HG23 ILE A 219 5.428 43.242 10.586 1.00 10.27 H new ATOM 0 HD11 ILE A 219 9.306 42.940 9.714 1.00 22.08 H new ATOM 0 HD12 ILE A 219 8.566 43.556 8.457 1.00 22.08 H new ATOM 0 HD13 ILE A 219 8.098 43.944 9.919 1.00 22.08 H new ATOM 1719 N GLY A 220 2.924 41.251 9.580 1.00 16.91 N ATOM 1720 CA GLY A 220 1.499 41.500 9.455 1.00 12.19 C ATOM 1721 C GLY A 220 1.180 42.978 9.602 1.00 19.08 C ATOM 1722 O GLY A 220 1.821 43.672 10.385 1.00 16.41 O ATOM 0 H GLY A 220 3.157 40.896 10.328 1.00 16.91 H new ATOM 0 HA2 GLY A 220 1.188 41.185 8.592 1.00 12.19 H new ATOM 0 HA3 GLY A 220 1.020 40.995 10.131 1.00 12.19 H new ATOM 1723 N THR A 221 0.204 43.459 8.833 1.00 16.66 N ATOM 1724 CA THR A 221 -0.344 44.806 9.005 1.00 17.09 C ATOM 1725 C THR A 221 -1.853 44.760 8.863 1.00 16.59 C ATOM 1726 O THR A 221 -2.399 43.801 8.296 1.00 18.20 O ATOM 1727 CB THR A 221 0.151 45.791 7.926 1.00 19.98 C ATOM 1728 OG1 THR A 221 -0.451 45.454 6.669 1.00 18.86 O ATOM 1729 CG2 THR A 221 1.684 45.800 7.808 1.00 11.03 C ATOM 0 H THR A 221 -0.161 43.013 8.195 1.00 16.66 H new ATOM 0 HA THR A 221 -0.055 45.106 9.881 1.00 17.09 H new ATOM 0 HB THR A 221 -0.114 46.687 8.188 1.00 19.98 H new ATOM 0 HG1 THR A 221 0.116 45.539 6.055 1.00 18.86 H new ATOM 0 HG21 THR A 221 1.952 46.430 7.121 1.00 11.03 H new ATOM 0 HG22 THR A 221 2.073 46.063 8.657 1.00 11.03 H new ATOM 0 HG23 THR A 221 1.996 44.912 7.571 1.00 11.03 H new ATOM 1730 N PRO A 222 -2.546 45.788 9.380 1.00 18.97 N ATOM 1731 CA PRO A 222 -3.971 45.853 9.061 1.00 24.88 C ATOM 1732 C PRO A 222 -4.130 46.066 7.564 1.00 23.88 C ATOM 1733 O PRO A 222 -3.280 46.674 6.904 1.00 18.58 O ATOM 1734 CB PRO A 222 -4.458 47.089 9.833 1.00 24.58 C ATOM 1735 CG PRO A 222 -3.430 47.312 10.900 1.00 17.81 C ATOM 1736 CD PRO A 222 -2.135 46.877 10.287 1.00 21.01 C ATOM 0 HA PRO A 222 -4.464 45.051 9.296 1.00 24.88 H new ATOM 0 HB2 PRO A 222 -4.531 47.861 9.250 1.00 24.58 H new ATOM 0 HB3 PRO A 222 -5.336 46.939 10.217 1.00 24.58 H new ATOM 0 HG2 PRO A 222 -3.397 48.244 11.167 1.00 17.81 H new ATOM 0 HG3 PRO A 222 -3.633 46.796 11.696 1.00 17.81 H new ATOM 0 HD2 PRO A 222 -1.704 47.601 9.807 1.00 21.01 H new ATOM 0 HD3 PRO A 222 -1.506 46.568 10.958 1.00 21.01 H new ATOM 1737 N MET A 223 -5.217 45.544 7.027 1.00 23.20 N ATOM 1738 CA MET A 223 -5.436 45.617 5.598 1.00 26.13 C ATOM 1739 C MET A 223 -5.490 47.078 5.198 1.00 28.54 C ATOM 1740 O MET A 223 -6.182 47.876 5.828 1.00 34.77 O ATOM 1741 CB MET A 223 -6.738 44.906 5.267 1.00 27.90 C ATOM 1742 CG MET A 223 -6.919 44.565 3.837 1.00 34.22 C ATOM 1743 SD MET A 223 -8.493 43.723 3.675 1.00 36.77 S ATOM 1744 CE MET A 223 -7.955 42.028 3.689 1.00 18.45 C ATOM 0 H MET A 223 -5.837 45.145 7.470 1.00 23.20 H new ATOM 0 HA MET A 223 -4.718 45.185 5.108 1.00 26.13 H new ATOM 0 HB2 MET A 223 -6.787 44.090 5.789 1.00 27.90 H new ATOM 0 HB3 MET A 223 -7.478 45.467 5.548 1.00 27.90 H new ATOM 0 HG2 MET A 223 -6.904 45.367 3.291 1.00 34.22 H new ATOM 0 HG3 MET A 223 -6.196 43.997 3.528 1.00 34.22 H new ATOM 0 HE1 MET A 223 -8.575 41.496 4.211 1.00 18.45 H new ATOM 0 HE2 MET A 223 -7.925 41.690 2.780 1.00 18.45 H new ATOM 0 HE3 MET A 223 -7.070 41.972 4.083 1.00 18.45 H new ATOM 1745 N GLY A 224 -4.715 47.440 4.184 1.00 37.59 N ATOM 1746 CA GLY A 224 -4.661 48.818 3.731 1.00 36.22 C ATOM 1747 C GLY A 224 -3.826 49.725 4.614 1.00 40.37 C ATOM 1748 O GLY A 224 -4.067 50.931 4.685 1.00 47.54 O ATOM 0 H GLY A 224 -4.211 46.899 3.744 1.00 37.59 H new ATOM 0 HA2 GLY A 224 -4.302 48.839 2.830 1.00 36.22 H new ATOM 0 HA3 GLY A 224 -5.564 49.169 3.684 1.00 36.22 H new ATOM 1749 N SER A 225 -2.844 49.145 5.297 1.00 37.38 N ATOM 1750 CA SER A 225 -1.859 49.924 6.040 1.00 28.94 C ATOM 1751 C SER A 225 -0.977 50.755 5.107 1.00 29.54 C ATOM 1752 O SER A 225 -0.590 50.289 4.040 1.00 38.49 O ATOM 1753 CB SER A 225 -0.970 48.990 6.856 1.00 25.70 C ATOM 1754 OG SER A 225 0.197 49.661 7.303 1.00 25.65 O ATOM 0 H SER A 225 -2.730 48.294 5.343 1.00 37.38 H new ATOM 0 HA SER A 225 -2.344 50.527 6.625 1.00 28.94 H new ATOM 0 HB2 SER A 225 -1.465 48.652 7.619 1.00 25.70 H new ATOM 0 HB3 SER A 225 -0.720 48.223 6.317 1.00 25.70 H new ATOM 0 HG SER A 225 0.035 50.052 8.029 1.00 25.65 H new ATOM 1755 N PRO A 226 -0.645 51.988 5.515 1.00 33.01 N ATOM 1756 CA PRO A 226 0.268 52.837 4.746 1.00 32.82 C ATOM 1757 C PRO A 226 1.739 52.539 4.985 1.00 36.28 C ATOM 1758 O PRO A 226 2.571 53.173 4.334 1.00 35.56 O ATOM 1759 CB PRO A 226 -0.035 54.237 5.279 1.00 33.23 C ATOM 1760 CG PRO A 226 -0.457 54.009 6.681 1.00 32.83 C ATOM 1761 CD PRO A 226 -1.229 52.710 6.660 1.00 39.34 C ATOM 0 HA PRO A 226 0.133 52.707 3.794 1.00 32.82 H new ATOM 0 HB2 PRO A 226 0.746 54.810 5.233 1.00 33.23 H new ATOM 0 HB3 PRO A 226 -0.735 54.669 4.764 1.00 33.23 H new ATOM 0 HG2 PRO A 226 0.310 53.951 7.272 1.00 32.83 H new ATOM 0 HG3 PRO A 226 -1.009 54.739 7.003 1.00 32.83 H new ATOM 0 HD2 PRO A 226 -1.121 52.216 7.488 1.00 39.34 H new ATOM 0 HD3 PRO A 226 -2.180 52.860 6.541 1.00 39.34 H new ATOM 1762 N TYR A 227 2.061 51.623 5.898 1.00 30.56 N ATOM 1763 CA TYR A 227 3.464 51.334 6.197 1.00 27.31 C ATOM 1764 C TYR A 227 3.926 50.067 5.505 1.00 23.19 C ATOM 1765 O TYR A 227 5.123 49.849 5.341 1.00 23.15 O ATOM 1766 CB TYR A 227 3.706 51.203 7.707 1.00 30.54 C ATOM 1767 CG TYR A 227 3.144 52.344 8.526 1.00 35.39 C ATOM 1768 CD1 TYR A 227 3.860 53.523 8.698 1.00 33.79 C ATOM 1769 CD2 TYR A 227 1.895 52.240 9.128 1.00 36.76 C ATOM 1770 CE1 TYR A 227 3.346 54.570 9.443 1.00 34.12 C ATOM 1771 CE2 TYR A 227 1.369 53.281 9.873 1.00 41.26 C ATOM 1772 CZ TYR A 227 2.098 54.446 10.026 1.00 46.33 C ATOM 1773 OH TYR A 227 1.578 55.482 10.774 1.00 58.32 O ATOM 0 H TYR A 227 1.491 51.164 6.350 1.00 30.56 H new ATOM 0 HA TYR A 227 3.979 52.085 5.862 1.00 27.31 H new ATOM 0 HB2 TYR A 227 3.313 50.372 8.016 1.00 30.54 H new ATOM 0 HB3 TYR A 227 4.661 51.143 7.867 1.00 30.54 H new ATOM 0 HD1 TYR A 227 4.699 53.610 8.306 1.00 33.79 H new ATOM 0 HD2 TYR A 227 1.404 51.457 9.028 1.00 36.76 H new ATOM 0 HE1 TYR A 227 3.837 55.352 9.551 1.00 34.12 H new ATOM 0 HE2 TYR A 227 0.531 53.198 10.268 1.00 41.26 H new ATOM 0 HH TYR A 227 0.819 55.266 11.062 1.00 58.32 H new ATOM 1774 N ARG A 228 2.965 49.239 5.108 1.00 20.98 N ATOM 1775 CA ARG A 228 3.232 47.914 4.546 1.00 18.80 C ATOM 1776 C ARG A 228 4.159 47.929 3.320 1.00 25.40 C ATOM 1777 O ARG A 228 5.092 47.128 3.232 1.00 22.77 O ATOM 1778 CB ARG A 228 1.899 47.215 4.240 1.00 23.41 C ATOM 1779 CG ARG A 228 2.004 45.820 3.647 1.00 24.40 C ATOM 1780 CD ARG A 228 1.825 45.839 2.129 1.00 32.17 C ATOM 1781 NE ARG A 228 2.199 44.552 1.549 1.00 38.84 N ATOM 1782 CZ ARG A 228 2.896 44.404 0.425 1.00 31.09 C ATOM 1783 NH1 ARG A 228 3.209 43.189 -0.001 1.00 24.97 N ATOM 1784 NH2 ARG A 228 3.286 45.466 -0.272 1.00 31.22 N ATOM 0 H ARG A 228 2.128 49.431 5.157 1.00 20.98 H new ATOM 0 HA ARG A 228 3.721 47.411 5.216 1.00 18.80 H new ATOM 0 HB2 ARG A 228 1.386 47.161 5.061 1.00 23.41 H new ATOM 0 HB3 ARG A 228 1.395 47.772 3.626 1.00 23.41 H new ATOM 0 HG2 ARG A 228 2.868 45.438 3.867 1.00 24.40 H new ATOM 0 HG3 ARG A 228 1.331 45.247 4.046 1.00 24.40 H new ATOM 0 HD2 ARG A 228 0.902 46.042 1.910 1.00 32.17 H new ATOM 0 HD3 ARG A 228 2.369 46.543 1.743 1.00 32.17 H new ATOM 0 HE ARG A 228 1.952 43.840 1.963 1.00 38.84 H new ATOM 0 HH11 ARG A 228 2.962 42.499 0.449 1.00 24.97 H new ATOM 0 HH12 ARG A 228 3.659 43.091 -0.727 1.00 24.97 H new ATOM 0 HH21 ARG A 228 3.088 46.257 0.002 1.00 31.22 H new ATOM 0 HH22 ARG A 228 3.736 45.363 -0.997 1.00 31.22 H new ATOM 1785 N ASP A 229 3.921 48.853 2.391 1.00 22.48 N ATOM 1786 CA ASP A 229 4.695 48.897 1.152 1.00 22.95 C ATOM 1787 C ASP A 229 6.148 49.271 1.390 1.00 18.43 C ATOM 1788 O ASP A 229 7.047 48.674 0.808 1.00 19.02 O ATOM 1789 CB ASP A 229 4.074 49.854 0.119 1.00 25.77 C ATOM 1790 CG ASP A 229 2.765 49.329 -0.453 1.00 44.04 C ATOM 1791 OD1 ASP A 229 2.447 48.142 -0.217 1.00 43.28 O ATOM 1792 OD2 ASP A 229 2.051 50.093 -1.146 1.00 48.74 O ATOM 0 H ASP A 229 3.317 49.462 2.458 1.00 22.48 H new ATOM 0 HA ASP A 229 4.670 47.996 0.794 1.00 22.95 H new ATOM 0 HB2 ASP A 229 3.918 50.716 0.535 1.00 25.77 H new ATOM 0 HB3 ASP A 229 4.705 49.997 -0.604 1.00 25.77 H new ATOM 1793 N LYS A 230 6.391 50.253 2.243 1.00 16.38 N ATOM 1794 CA LYS A 230 7.771 50.673 2.445 1.00 25.71 C ATOM 1795 C LYS A 230 8.546 49.589 3.192 1.00 19.72 C ATOM 1796 O LYS A 230 9.703 49.323 2.888 1.00 25.63 O ATOM 1797 CB LYS A 230 7.885 52.067 3.100 1.00 29.18 C ATOM 1798 CG LYS A 230 7.177 52.249 4.438 1.00 32.35 C ATOM 1799 CD LYS A 230 7.456 53.657 5.009 1.00 43.29 C ATOM 1800 CE LYS A 230 7.157 53.748 6.512 1.00 55.74 C ATOM 1801 NZ LYS A 230 7.602 55.041 7.146 1.00 53.35 N ATOM 0 H LYS A 230 5.798 50.677 2.700 1.00 16.38 H new ATOM 0 HA LYS A 230 8.183 50.780 1.574 1.00 25.71 H new ATOM 0 HB2 LYS A 230 8.826 52.268 3.224 1.00 29.18 H new ATOM 0 HB3 LYS A 230 7.534 52.724 2.479 1.00 29.18 H new ATOM 0 HG2 LYS A 230 6.222 52.123 4.325 1.00 32.35 H new ATOM 0 HG3 LYS A 230 7.480 51.574 5.065 1.00 32.35 H new ATOM 0 HD2 LYS A 230 8.385 53.889 4.852 1.00 43.29 H new ATOM 0 HD3 LYS A 230 6.917 54.309 4.534 1.00 43.29 H new ATOM 0 HE2 LYS A 230 6.203 53.642 6.650 1.00 55.74 H new ATOM 0 HE3 LYS A 230 7.593 53.009 6.965 1.00 55.74 H new ATOM 0 HZ1 LYS A 230 7.401 55.031 8.013 1.00 53.35 H new ATOM 0 HZ2 LYS A 230 8.482 55.133 7.047 1.00 53.35 H new ATOM 0 HZ3 LYS A 230 7.186 55.723 6.753 1.00 53.35 H new ATOM 1802 N ILE A 231 7.883 48.931 4.134 1.00 20.79 N ATOM 1803 CA ILE A 231 8.470 47.782 4.806 1.00 16.90 C ATOM 1804 C ILE A 231 8.833 46.681 3.805 1.00 19.68 C ATOM 1805 O ILE A 231 9.943 46.135 3.827 1.00 19.97 O ATOM 1806 CB ILE A 231 7.543 47.288 5.929 1.00 16.70 C ATOM 1807 CG1 ILE A 231 7.730 48.205 7.151 1.00 23.16 C ATOM 1808 CG2 ILE A 231 7.828 45.835 6.272 1.00 11.70 C ATOM 1809 CD1 ILE A 231 6.557 48.295 8.066 1.00 22.52 C ATOM 0 H ILE A 231 7.091 49.135 4.399 1.00 20.79 H new ATOM 0 HA ILE A 231 9.303 48.053 5.223 1.00 16.90 H new ATOM 0 HB ILE A 231 6.619 47.327 5.636 1.00 16.70 H new ATOM 0 HG12 ILE A 231 8.494 47.890 7.659 1.00 23.16 H new ATOM 0 HG13 ILE A 231 7.946 49.097 6.837 1.00 23.16 H new ATOM 0 HG21 ILE A 231 7.232 45.547 6.981 1.00 11.70 H new ATOM 0 HG22 ILE A 231 7.686 45.283 5.487 1.00 11.70 H new ATOM 0 HG23 ILE A 231 8.748 45.746 6.567 1.00 11.70 H new ATOM 0 HD11 ILE A 231 6.766 48.891 8.802 1.00 22.52 H new ATOM 0 HD12 ILE A 231 5.792 48.639 7.579 1.00 22.52 H new ATOM 0 HD13 ILE A 231 6.349 47.414 8.413 1.00 22.52 H new ATOM 1810 N THR A 232 7.908 46.389 2.901 1.00 19.03 N ATOM 1811 CA THR A 232 8.155 45.427 1.832 1.00 15.94 C ATOM 1812 C THR A 232 9.372 45.784 0.984 1.00 15.10 C ATOM 1813 O THR A 232 10.184 44.923 0.664 1.00 17.49 O ATOM 1814 CB THR A 232 6.930 45.297 0.918 1.00 16.43 C ATOM 1815 OG1 THR A 232 5.892 44.626 1.629 1.00 21.56 O ATOM 1816 CG2 THR A 232 7.269 44.509 -0.336 1.00 21.90 C ATOM 0 H THR A 232 7.123 46.740 2.888 1.00 19.03 H new ATOM 0 HA THR A 232 8.333 44.580 2.271 1.00 15.94 H new ATOM 0 HB THR A 232 6.642 46.185 0.654 1.00 16.43 H new ATOM 0 HG1 THR A 232 5.530 45.160 2.167 1.00 21.56 H new ATOM 0 HG21 THR A 232 6.481 44.440 -0.898 1.00 21.90 H new ATOM 0 HG22 THR A 232 7.974 44.963 -0.823 1.00 21.90 H new ATOM 0 HG23 THR A 232 7.569 43.620 -0.089 1.00 21.90 H new ATOM 1817 N ILE A 233 9.508 47.055 0.626 1.00 21.91 N ATOM 1818 CA ILE A 233 10.650 47.468 -0.186 1.00 20.02 C ATOM 1819 C ILE A 233 11.944 47.368 0.616 1.00 26.18 C ATOM 1820 O ILE A 233 12.974 46.914 0.103 1.00 27.17 O ATOM 1821 CB ILE A 233 10.495 48.902 -0.726 1.00 27.82 C ATOM 1822 CG1 ILE A 233 9.154 49.072 -1.465 1.00 30.38 C ATOM 1823 CG2 ILE A 233 11.668 49.239 -1.657 1.00 24.09 C ATOM 1824 CD1 ILE A 233 9.083 48.372 -2.819 1.00 27.50 C ATOM 0 H ILE A 233 8.962 47.685 0.837 1.00 21.91 H new ATOM 0 HA ILE A 233 10.685 46.864 -0.944 1.00 20.02 H new ATOM 0 HB ILE A 233 10.501 49.516 0.025 1.00 27.82 H new ATOM 0 HG12 ILE A 233 8.442 48.733 -0.901 1.00 30.38 H new ATOM 0 HG13 ILE A 233 8.987 50.019 -1.594 1.00 30.38 H new ATOM 0 HG21 ILE A 233 11.565 50.143 -1.994 1.00 24.09 H new ATOM 0 HG22 ILE A 233 12.501 49.171 -1.165 1.00 24.09 H new ATOM 0 HG23 ILE A 233 11.680 48.617 -2.401 1.00 24.09 H new ATOM 0 HD11 ILE A 233 8.212 48.526 -3.218 1.00 27.50 H new ATOM 0 HD12 ILE A 233 9.773 48.725 -3.403 1.00 27.50 H new ATOM 0 HD13 ILE A 233 9.219 47.419 -2.698 1.00 27.50 H new ATOM 1825 N ALA A 234 11.875 47.799 1.874 1.00 20.99 N ATOM 1826 CA ALA A 234 12.998 47.705 2.789 1.00 22.78 C ATOM 1827 C ALA A 234 13.455 46.262 2.910 1.00 25.76 C ATOM 1828 O ALA A 234 14.647 45.977 2.823 1.00 26.24 O ATOM 1829 CB ALA A 234 12.619 48.252 4.147 1.00 22.21 C ATOM 0 H ALA A 234 11.171 48.155 2.217 1.00 20.99 H new ATOM 0 HA ALA A 234 13.730 48.235 2.437 1.00 22.78 H new ATOM 0 HB1 ALA A 234 13.378 48.183 4.747 1.00 22.21 H new ATOM 0 HB2 ALA A 234 12.360 49.183 4.060 1.00 22.21 H new ATOM 0 HB3 ALA A 234 11.876 47.742 4.506 1.00 22.21 H new ATOM 1830 N ILE A 235 12.501 45.353 3.097 1.00 22.12 N ATOM 1831 CA ILE A 235 12.825 43.932 3.165 1.00 20.05 C ATOM 1832 C ILE A 235 13.487 43.491 1.872 1.00 24.17 C ATOM 1833 O ILE A 235 14.480 42.762 1.885 1.00 21.59 O ATOM 1834 CB ILE A 235 11.567 43.055 3.443 1.00 15.10 C ATOM 1835 CG1 ILE A 235 11.121 43.205 4.895 1.00 16.93 C ATOM 1836 CG2 ILE A 235 11.849 41.601 3.176 1.00 13.03 C ATOM 1837 CD1 ILE A 235 9.704 42.736 5.162 1.00 17.59 C ATOM 0 H ILE A 235 11.666 45.537 3.186 1.00 22.12 H new ATOM 0 HA ILE A 235 13.437 43.808 3.907 1.00 20.05 H new ATOM 0 HB ILE A 235 10.865 43.360 2.848 1.00 15.10 H new ATOM 0 HG12 ILE A 235 11.729 42.705 5.463 1.00 16.93 H new ATOM 0 HG13 ILE A 235 11.196 44.138 5.151 1.00 16.93 H new ATOM 0 HG21 ILE A 235 11.052 41.078 3.356 1.00 13.03 H new ATOM 0 HG22 ILE A 235 12.107 41.486 2.248 1.00 13.03 H new ATOM 0 HG23 ILE A 235 12.570 41.300 3.751 1.00 13.03 H new ATOM 0 HD11 ILE A 235 9.493 42.862 6.100 1.00 17.59 H new ATOM 0 HD12 ILE A 235 9.085 43.250 4.620 1.00 17.59 H new ATOM 0 HD13 ILE A 235 9.626 41.796 4.937 1.00 17.59 H new ATOM 1838 N LEU A 236 12.931 43.937 0.751 1.00 25.79 N ATOM 1839 CA LEU A 236 13.439 43.520 -0.555 1.00 26.38 C ATOM 1840 C LEU A 236 14.915 43.874 -0.729 1.00 25.69 C ATOM 1841 O LEU A 236 15.710 43.048 -1.170 1.00 30.45 O ATOM 1842 CB LEU A 236 12.589 44.109 -1.683 1.00 28.98 C ATOM 1843 CG LEU A 236 13.051 43.887 -3.124 1.00 38.46 C ATOM 1844 CD1 LEU A 236 13.255 42.410 -3.450 1.00 38.71 C ATOM 1845 CD2 LEU A 236 12.028 44.488 -4.062 1.00 43.27 C ATOM 0 H LEU A 236 12.263 44.478 0.722 1.00 25.79 H new ATOM 0 HA LEU A 236 13.371 42.553 -0.600 1.00 26.38 H new ATOM 0 HB2 LEU A 236 11.693 43.747 -1.600 1.00 28.98 H new ATOM 0 HB3 LEU A 236 12.523 45.066 -1.536 1.00 28.98 H new ATOM 0 HG LEU A 236 13.912 44.320 -3.234 1.00 38.46 H new ATOM 0 HD11 LEU A 236 13.547 42.319 -4.371 1.00 38.71 H new ATOM 0 HD12 LEU A 236 13.929 42.038 -2.860 1.00 38.71 H new ATOM 0 HD13 LEU A 236 12.419 41.933 -3.327 1.00 38.71 H new ATOM 0 HD21 LEU A 236 12.311 44.353 -4.980 1.00 43.27 H new ATOM 0 HD22 LEU A 236 11.169 44.059 -3.923 1.00 43.27 H new ATOM 0 HD23 LEU A 236 11.946 45.438 -3.886 1.00 43.27 H new ATOM 1846 N GLN A 237 15.290 45.090 -0.352 1.00 23.30 N ATOM 1847 CA GLN A 237 16.684 45.482 -0.473 1.00 32.59 C ATOM 1848 C GLN A 237 17.619 44.721 0.486 1.00 40.24 C ATOM 1849 O GLN A 237 18.714 44.319 0.081 1.00 41.74 O ATOM 1850 CB GLN A 237 16.874 47.015 -0.419 1.00 38.03 C ATOM 1851 CG GLN A 237 16.223 47.775 0.744 1.00 37.90 C ATOM 1852 CD GLN A 237 16.120 49.306 0.478 1.00 48.40 C ATOM 1853 OE1 GLN A 237 16.367 50.126 1.371 1.00 35.42 O ATOM 1854 NE2 GLN A 237 15.736 49.681 -0.751 1.00 37.61 N ATOM 0 H GLN A 237 14.765 45.690 -0.031 1.00 23.30 H new ATOM 0 HA GLN A 237 16.959 45.208 -1.362 1.00 32.59 H new ATOM 0 HB2 GLN A 237 17.827 47.197 -0.398 1.00 38.03 H new ATOM 0 HB3 GLN A 237 16.532 47.387 -1.247 1.00 38.03 H new ATOM 0 HG2 GLN A 237 15.335 47.418 0.903 1.00 37.90 H new ATOM 0 HG3 GLN A 237 16.738 47.625 1.552 1.00 37.90 H new ATOM 0 HE21 GLN A 237 15.572 49.086 -1.350 1.00 37.61 H new ATOM 0 HE22 GLN A 237 15.654 50.516 -0.940 1.00 37.61 H new ATOM 1855 N LEU A 238 17.187 44.498 1.729 1.00 28.88 N ATOM 1856 CA LEU A 238 17.973 43.700 2.665 1.00 24.33 C ATOM 1857 C LEU A 238 18.292 42.324 2.064 1.00 28.03 C ATOM 1858 O LEU A 238 19.391 41.794 2.218 1.00 25.79 O ATOM 1859 CB LEU A 238 17.230 43.538 3.986 1.00 25.26 C ATOM 1860 CG LEU A 238 17.116 44.765 4.896 1.00 22.91 C ATOM 1861 CD1 LEU A 238 16.114 44.491 5.993 1.00 20.09 C ATOM 1862 CD2 LEU A 238 18.465 45.109 5.498 1.00 19.42 C ATOM 0 H LEU A 238 16.446 44.799 2.046 1.00 28.88 H new ATOM 0 HA LEU A 238 18.807 44.165 2.834 1.00 24.33 H new ATOM 0 HB2 LEU A 238 16.332 43.230 3.787 1.00 25.26 H new ATOM 0 HB3 LEU A 238 17.667 42.833 4.489 1.00 25.26 H new ATOM 0 HG LEU A 238 16.815 45.521 4.367 1.00 22.91 H new ATOM 0 HD11 LEU A 238 16.043 45.269 6.568 1.00 20.09 H new ATOM 0 HD12 LEU A 238 15.248 44.300 5.600 1.00 20.09 H new ATOM 0 HD13 LEU A 238 16.407 43.728 6.516 1.00 20.09 H new ATOM 0 HD21 LEU A 238 18.375 45.887 6.070 1.00 19.42 H new ATOM 0 HD22 LEU A 238 18.787 44.358 6.021 1.00 19.42 H new ATOM 0 HD23 LEU A 238 19.097 45.302 4.788 1.00 19.42 H new ATOM 1863 N GLN A 239 17.319 41.770 1.360 1.00 25.68 N ATOM 1864 CA GLN A 239 17.437 40.451 0.769 1.00 35.69 C ATOM 1865 C GLN A 239 18.443 40.360 -0.375 1.00 39.55 C ATOM 1866 O GLN A 239 19.058 39.314 -0.577 1.00 43.80 O ATOM 1867 CB GLN A 239 16.073 39.993 0.278 1.00 27.95 C ATOM 1868 CG GLN A 239 15.372 39.114 1.262 1.00 34.48 C ATOM 1869 CD GLN A 239 13.885 39.110 1.057 1.00 29.94 C ATOM 1870 OE1 GLN A 239 13.341 39.993 0.397 1.00 35.34 O ATOM 1871 NE2 GLN A 239 13.206 38.121 1.640 1.00 39.72 N ATOM 0 H GLN A 239 16.564 42.154 1.211 1.00 25.68 H new ATOM 0 HA GLN A 239 17.774 39.872 1.471 1.00 35.69 H new ATOM 0 HB2 GLN A 239 15.522 40.770 0.094 1.00 27.95 H new ATOM 0 HB3 GLN A 239 16.178 39.515 -0.559 1.00 27.95 H new ATOM 0 HG2 GLN A 239 15.710 38.208 1.183 1.00 34.48 H new ATOM 0 HG3 GLN A 239 15.572 39.414 2.162 1.00 34.48 H new ATOM 0 HE21 GLN A 239 13.624 37.522 2.094 1.00 39.72 H new ATOM 0 HE22 GLN A 239 12.350 38.083 1.562 1.00 39.72 H new ATOM 1872 N GLU A 240 18.606 41.444 -1.123 1.00 36.65 N ATOM 1873 CA GLU A 240 19.460 41.409 -2.307 1.00 42.87 C ATOM 1874 C GLU A 240 20.928 41.373 -1.922 1.00 43.08 C ATOM 1875 O GLU A 240 21.772 40.918 -2.698 1.00 41.24 O ATOM 1876 CB GLU A 240 19.195 42.614 -3.206 1.00 42.17 C ATOM 1877 CG GLU A 240 17.822 42.643 -3.841 1.00 38.15 C ATOM 1878 CD GLU A 240 17.555 43.976 -4.504 1.00 57.56 C ATOM 1879 OE1 GLU A 240 18.534 44.619 -4.940 1.00 60.05 O ATOM 1880 OE2 GLU A 240 16.378 44.391 -4.572 1.00 60.91 O ATOM 0 H GLU A 240 18.236 42.204 -0.966 1.00 36.65 H new ATOM 0 HA GLU A 240 19.246 40.599 -2.795 1.00 42.87 H new ATOM 0 HB2 GLU A 240 19.313 43.423 -2.684 1.00 42.17 H new ATOM 0 HB3 GLU A 240 19.863 42.630 -3.909 1.00 42.17 H new ATOM 0 HG2 GLU A 240 17.751 41.932 -4.497 1.00 38.15 H new ATOM 0 HG3 GLU A 240 17.147 42.474 -3.166 1.00 38.15 H new ATOM 1881 N GLU A 241 21.218 41.865 -0.720 1.00 34.74 N ATOM 1882 CA GLU A 241 22.573 41.897 -0.195 1.00 31.74 C ATOM 1883 C GLU A 241 22.749 40.777 0.814 1.00 32.21 C ATOM 1884 O GLU A 241 23.736 40.728 1.555 1.00 32.55 O ATOM 1885 CB GLU A 241 22.826 43.244 0.464 1.00 28.19 C ATOM 1886 CG GLU A 241 22.452 44.389 -0.443 1.00 43.60 C ATOM 1887 CD GLU A 241 22.814 45.728 0.141 1.00 41.00 C ATOM 1888 OE1 GLU A 241 23.999 46.092 0.073 1.00 41.98 O ATOM 1889 OE2 GLU A 241 21.912 46.413 0.667 1.00 42.54 O ATOM 0 H GLU A 241 20.628 42.191 -0.186 1.00 34.74 H new ATOM 0 HA GLU A 241 23.209 41.774 -0.917 1.00 31.74 H new ATOM 0 HB2 GLU A 241 22.315 43.303 1.287 1.00 28.19 H new ATOM 0 HB3 GLU A 241 23.763 43.315 0.706 1.00 28.19 H new ATOM 0 HG2 GLU A 241 22.899 44.280 -1.297 1.00 43.60 H new ATOM 0 HG3 GLU A 241 21.498 44.362 -0.616 1.00 43.60 H new ATOM 1890 N ASP A 242 21.759 39.889 0.845 1.00 37.08 N ATOM 1891 CA ASP A 242 21.772 38.711 1.707 1.00 36.59 C ATOM 1892 C ASP A 242 21.856 39.001 3.213 1.00 28.05 C ATOM 1893 O ASP A 242 22.330 38.163 3.986 1.00 27.04 O ATOM 1894 CB ASP A 242 22.855 37.721 1.256 1.00 35.76 C ATOM 1895 CG ASP A 242 22.394 36.854 0.094 1.00 52.02 C ATOM 1896 OD1 ASP A 242 21.624 35.897 0.340 1.00 62.17 O ATOM 1897 OD2 ASP A 242 22.785 37.128 -1.061 1.00 53.90 O ATOM 0 H ASP A 242 21.052 39.955 0.360 1.00 37.08 H new ATOM 0 HA ASP A 242 20.899 38.303 1.595 1.00 36.59 H new ATOM 0 HB2 ASP A 242 23.651 38.211 0.996 1.00 35.76 H new ATOM 0 HB3 ASP A 242 23.103 37.153 2.002 1.00 35.76 H new ATOM 1898 N LYS A 243 21.359 40.169 3.625 1.00 26.40 N ATOM 1899 CA LYS A 243 21.323 40.542 5.043 1.00 27.95 C ATOM 1900 C LYS A 243 20.445 39.632 5.916 1.00 24.98 C ATOM 1901 O LYS A 243 20.748 39.400 7.084 1.00 25.36 O ATOM 1902 CB LYS A 243 20.861 41.986 5.201 1.00 27.18 C ATOM 1903 CG LYS A 243 21.735 42.997 4.471 1.00 34.13 C ATOM 1904 CD LYS A 243 23.167 43.012 4.994 1.00 37.45 C ATOM 1905 CE LYS A 243 23.998 44.099 4.298 1.00 32.39 C ATOM 1906 NZ LYS A 243 25.421 44.062 4.732 1.00 35.05 N ATOM 0 H LYS A 243 21.035 40.764 3.095 1.00 26.40 H new ATOM 0 HA LYS A 243 22.234 40.434 5.359 1.00 27.95 H new ATOM 0 HB2 LYS A 243 19.951 42.063 4.874 1.00 27.18 H new ATOM 0 HB3 LYS A 243 20.843 42.209 6.145 1.00 27.18 H new ATOM 0 HG2 LYS A 243 21.742 42.790 3.523 1.00 34.13 H new ATOM 0 HG3 LYS A 243 21.349 43.882 4.566 1.00 34.13 H new ATOM 0 HD2 LYS A 243 23.163 43.167 5.952 1.00 37.45 H new ATOM 0 HD3 LYS A 243 23.577 42.145 4.849 1.00 37.45 H new ATOM 0 HE2 LYS A 243 23.949 43.979 3.337 1.00 32.39 H new ATOM 0 HE3 LYS A 243 23.621 44.971 4.495 1.00 32.39 H new ATOM 0 HZ1 LYS A 243 25.876 44.702 4.313 1.00 35.05 H new ATOM 0 HZ2 LYS A 243 25.467 44.193 5.611 1.00 35.05 H new ATOM 0 HZ3 LYS A 243 25.772 43.269 4.532 1.00 35.05 H new ATOM 1907 N LEU A 244 19.346 39.138 5.356 1.00 22.51 N ATOM 1908 CA LEU A 244 18.466 38.254 6.104 1.00 27.84 C ATOM 1909 C LEU A 244 19.100 36.880 6.294 1.00 26.39 C ATOM 1910 O LEU A 244 18.925 36.247 7.336 1.00 21.50 O ATOM 1911 CB LEU A 244 17.101 38.135 5.428 1.00 20.26 C ATOM 1912 CG LEU A 244 16.384 39.475 5.182 1.00 30.82 C ATOM 1913 CD1 LEU A 244 14.891 39.281 4.940 1.00 25.06 C ATOM 1914 CD2 LEU A 244 16.607 40.459 6.306 1.00 22.83 C ATOM 0 H LEU A 244 19.095 39.302 4.550 1.00 22.51 H new ATOM 0 HA LEU A 244 18.332 38.645 6.981 1.00 27.84 H new ATOM 0 HB2 LEU A 244 17.214 37.682 4.578 1.00 20.26 H new ATOM 0 HB3 LEU A 244 16.531 37.573 5.976 1.00 20.26 H new ATOM 0 HG LEU A 244 16.778 39.848 4.378 1.00 30.82 H new ATOM 0 HD11 LEU A 244 14.473 40.143 4.789 1.00 25.06 H new ATOM 0 HD12 LEU A 244 14.760 38.718 4.161 1.00 25.06 H new ATOM 0 HD13 LEU A 244 14.490 38.859 5.715 1.00 25.06 H new ATOM 0 HD21 LEU A 244 16.139 41.286 6.110 1.00 22.83 H new ATOM 0 HD22 LEU A 244 16.269 40.086 7.135 1.00 22.83 H new ATOM 0 HD23 LEU A 244 17.556 40.638 6.396 1.00 22.83 H new ATOM 1915 N HIS A 245 19.841 36.429 5.288 1.00 25.29 N ATOM 1916 CA HIS A 245 20.582 35.172 5.387 1.00 36.07 C ATOM 1917 C HIS A 245 21.572 35.260 6.533 1.00 25.29 C ATOM 1918 O HIS A 245 21.658 34.363 7.363 1.00 28.71 O ATOM 1919 CB HIS A 245 21.330 34.872 4.085 1.00 36.73 C ATOM 1920 CG HIS A 245 22.032 33.549 4.081 1.00 53.65 C ATOM 1921 ND1 HIS A 245 21.535 32.443 3.424 1.00 68.78 N ATOM 1922 CD2 HIS A 245 23.197 33.153 4.652 1.00 60.84 C ATOM 1923 CE1 HIS A 245 22.361 31.425 3.589 1.00 64.55 C ATOM 1924 NE2 HIS A 245 23.377 31.828 4.332 1.00 61.30 N ATOM 0 H HIS A 245 19.930 36.836 4.536 1.00 25.29 H new ATOM 0 HA HIS A 245 19.950 34.454 5.549 1.00 36.07 H new ATOM 0 HB2 HIS A 245 20.701 34.897 3.347 1.00 36.73 H new ATOM 0 HB3 HIS A 245 21.980 35.574 3.927 1.00 36.73 H new ATOM 0 HD2 HIS A 245 23.767 33.679 5.164 1.00 60.84 H new ATOM 0 HE1 HIS A 245 22.247 30.570 3.241 1.00 64.55 H new ATOM 0 HE2 HIS A 245 24.042 31.341 4.576 1.00 61.30 H new ATOM 1925 N ILE A 246 22.305 36.364 6.574 1.00 23.76 N ATOM 1926 CA ILE A 246 23.282 36.604 7.625 1.00 26.30 C ATOM 1927 C ILE A 246 22.633 36.645 8.996 1.00 24.07 C ATOM 1928 O ILE A 246 23.082 35.987 9.922 1.00 24.85 O ATOM 1929 CB ILE A 246 24.026 37.925 7.386 1.00 27.74 C ATOM 1930 CG1 ILE A 246 24.899 37.806 6.132 1.00 35.88 C ATOM 1931 CG2 ILE A 246 24.875 38.291 8.595 1.00 19.89 C ATOM 1932 CD1 ILE A 246 25.324 39.134 5.555 1.00 30.80 C ATOM 0 H ILE A 246 22.250 36.996 5.993 1.00 23.76 H new ATOM 0 HA ILE A 246 23.910 35.865 7.599 1.00 26.30 H new ATOM 0 HB ILE A 246 23.375 38.632 7.252 1.00 27.74 H new ATOM 0 HG12 ILE A 246 25.691 37.289 6.348 1.00 35.88 H new ATOM 0 HG13 ILE A 246 24.412 37.310 5.455 1.00 35.88 H new ATOM 0 HG21 ILE A 246 25.337 39.127 8.425 1.00 19.89 H new ATOM 0 HG22 ILE A 246 24.305 38.389 9.373 1.00 19.89 H new ATOM 0 HG23 ILE A 246 25.526 37.590 8.758 1.00 19.89 H new ATOM 0 HD11 ILE A 246 25.871 38.985 4.768 1.00 30.80 H new ATOM 0 HD12 ILE A 246 24.538 39.647 5.310 1.00 30.80 H new ATOM 0 HD13 ILE A 246 25.837 39.625 6.216 1.00 30.80 H new ATOM 1933 N MET A 247 21.570 37.429 9.106 1.00 26.62 N ATOM 1934 CA MET A 247 20.796 37.560 10.341 1.00 21.52 C ATOM 1935 C MET A 247 20.254 36.201 10.808 1.00 20.65 C ATOM 1936 O MET A 247 20.245 35.904 11.999 1.00 18.50 O ATOM 1937 CB MET A 247 19.663 38.554 10.099 1.00 19.92 C ATOM 1938 CG MET A 247 18.871 38.972 11.307 1.00 26.72 C ATOM 1939 SD MET A 247 17.599 40.168 10.814 1.00 27.07 S ATOM 1940 CE MET A 247 18.651 41.506 10.251 1.00 11.92 C ATOM 0 H MET A 247 21.270 37.909 8.458 1.00 26.62 H new ATOM 0 HA MET A 247 21.371 37.888 11.050 1.00 21.52 H new ATOM 0 HB2 MET A 247 20.039 39.350 9.691 1.00 19.92 H new ATOM 0 HB3 MET A 247 19.051 38.167 9.454 1.00 19.92 H new ATOM 0 HG2 MET A 247 18.458 38.197 11.718 1.00 26.72 H new ATOM 0 HG3 MET A 247 19.459 39.366 11.971 1.00 26.72 H new ATOM 0 HE1 MET A 247 18.183 42.350 10.351 1.00 11.92 H new ATOM 0 HE2 MET A 247 19.464 41.523 10.780 1.00 11.92 H new ATOM 0 HE3 MET A 247 18.876 41.370 9.317 1.00 11.92 H new ATOM 1941 N LYS A 248 19.834 35.362 9.866 1.00 18.61 N ATOM 1942 CA LYS A 248 19.388 34.028 10.229 1.00 18.93 C ATOM 1943 C LYS A 248 20.534 33.223 10.841 1.00 24.49 C ATOM 1944 O LYS A 248 20.355 32.558 11.864 1.00 21.53 O ATOM 1945 CB LYS A 248 18.791 33.289 9.035 1.00 21.17 C ATOM 1946 CG LYS A 248 18.470 31.812 9.322 1.00 25.37 C ATOM 1947 CD LYS A 248 17.429 31.263 8.351 1.00 31.39 C ATOM 1948 CE LYS A 248 17.714 29.815 7.957 1.00 42.39 C ATOM 1949 NZ LYS A 248 17.692 28.866 9.099 1.00 35.05 N ATOM 0 H LYS A 248 19.800 35.544 9.026 1.00 18.61 H new ATOM 0 HA LYS A 248 18.688 34.125 10.894 1.00 18.93 H new ATOM 0 HB2 LYS A 248 17.979 33.741 8.758 1.00 21.17 H new ATOM 0 HB3 LYS A 248 19.411 33.339 8.291 1.00 21.17 H new ATOM 0 HG2 LYS A 248 19.282 31.286 9.258 1.00 25.37 H new ATOM 0 HG3 LYS A 248 18.144 31.722 10.231 1.00 25.37 H new ATOM 0 HD2 LYS A 248 16.550 31.319 8.757 1.00 31.39 H new ATOM 0 HD3 LYS A 248 17.409 31.815 7.554 1.00 31.39 H new ATOM 0 HE2 LYS A 248 17.058 29.533 7.300 1.00 42.39 H new ATOM 0 HE3 LYS A 248 18.583 29.771 7.528 1.00 42.39 H new ATOM 0 HZ1 LYS A 248 17.362 28.085 8.830 1.00 35.05 H new ATOM 0 HZ2 LYS A 248 18.520 28.749 9.404 1.00 35.05 H new ATOM 0 HZ3 LYS A 248 17.181 29.195 9.749 1.00 35.05 H new ATOM 1950 N GLU A 249 21.713 33.310 10.222 1.00 27.00 N ATOM 1951 CA GLU A 249 22.903 32.610 10.703 1.00 23.65 C ATOM 1952 C GLU A 249 23.250 33.040 12.110 1.00 22.80 C ATOM 1953 O GLU A 249 23.541 32.216 12.950 1.00 26.96 O ATOM 1954 CB GLU A 249 24.101 32.861 9.782 1.00 28.75 C ATOM 1955 CG GLU A 249 24.407 31.737 8.808 1.00 37.05 C ATOM 1956 CD GLU A 249 25.209 32.217 7.594 1.00 62.44 C ATOM 1957 OE1 GLU A 249 25.602 33.407 7.562 1.00 57.95 O ATOM 1958 OE2 GLU A 249 25.440 31.408 6.665 1.00 63.13 O ATOM 0 H GLU A 249 21.844 33.777 9.512 1.00 27.00 H new ATOM 0 HA GLU A 249 22.701 31.661 10.702 1.00 23.65 H new ATOM 0 HB2 GLU A 249 23.939 33.673 9.277 1.00 28.75 H new ATOM 0 HB3 GLU A 249 24.886 33.019 10.330 1.00 28.75 H new ATOM 0 HG2 GLU A 249 24.904 31.042 9.266 1.00 37.05 H new ATOM 0 HG3 GLU A 249 23.576 31.339 8.506 1.00 37.05 H new ATOM 1959 N LYS A 250 23.207 34.338 12.371 1.00 26.80 N ATOM 1960 CA LYS A 250 23.491 34.852 13.705 1.00 18.97 C ATOM 1961 C LYS A 250 22.628 34.203 14.804 1.00 22.12 C ATOM 1962 O LYS A 250 23.130 33.866 15.873 1.00 24.26 O ATOM 1963 CB LYS A 250 23.316 36.375 13.731 1.00 22.61 C ATOM 1964 CG LYS A 250 23.124 36.954 15.139 1.00 22.01 C ATOM 1965 CD LYS A 250 23.059 38.497 15.143 1.00 21.69 C ATOM 1966 CE LYS A 250 22.956 39.028 16.590 1.00 18.38 C ATOM 1967 NZ LYS A 250 22.507 40.465 16.697 1.00 21.45 N ATOM 0 H LYS A 250 23.015 34.941 11.789 1.00 26.80 H new ATOM 0 HA LYS A 250 24.412 34.619 13.901 1.00 18.97 H new ATOM 0 HB2 LYS A 250 24.094 36.788 13.324 1.00 22.61 H new ATOM 0 HB3 LYS A 250 22.550 36.613 13.186 1.00 22.61 H new ATOM 0 HG2 LYS A 250 22.307 36.598 15.523 1.00 22.01 H new ATOM 0 HG3 LYS A 250 23.854 36.663 15.707 1.00 22.01 H new ATOM 0 HD2 LYS A 250 23.849 38.861 14.714 1.00 21.69 H new ATOM 0 HD3 LYS A 250 22.294 38.796 14.627 1.00 21.69 H new ATOM 0 HE2 LYS A 250 22.336 38.469 17.084 1.00 18.38 H new ATOM 0 HE3 LYS A 250 23.822 38.939 17.018 1.00 18.38 H new ATOM 0 HZ1 LYS A 250 22.345 40.663 17.549 1.00 21.45 H new ATOM 0 HZ2 LYS A 250 23.146 41.000 16.385 1.00 21.45 H new ATOM 0 HZ3 LYS A 250 21.765 40.581 16.220 1.00 21.45 H new ATOM 1968 N TRP A 251 21.334 34.033 14.551 1.00 19.03 N ATOM 1969 CA TRP A 251 20.436 33.502 15.583 1.00 16.41 C ATOM 1970 C TRP A 251 20.263 31.983 15.555 1.00 18.67 C ATOM 1971 O TRP A 251 19.847 31.394 16.551 1.00 17.45 O ATOM 1972 CB TRP A 251 19.070 34.201 15.536 1.00 15.03 C ATOM 1973 CG TRP A 251 19.188 35.626 15.950 1.00 13.72 C ATOM 1974 CD1 TRP A 251 19.246 36.708 15.134 1.00 12.66 C ATOM 1975 CD2 TRP A 251 19.314 36.119 17.288 1.00 14.41 C ATOM 1976 NE1 TRP A 251 19.396 37.850 15.876 1.00 16.67 N ATOM 1977 CE2 TRP A 251 19.435 37.517 17.204 1.00 13.50 C ATOM 1978 CE3 TRP A 251 19.339 35.514 18.549 1.00 15.94 C ATOM 1979 CZ2 TRP A 251 19.578 38.325 18.331 1.00 12.85 C ATOM 1980 CZ3 TRP A 251 19.485 36.321 19.669 1.00 17.45 C ATOM 1981 CH2 TRP A 251 19.596 37.710 19.551 1.00 13.27 C ATOM 0 H TRP A 251 20.956 34.215 13.800 1.00 19.03 H new ATOM 0 HA TRP A 251 20.874 33.699 16.426 1.00 16.41 H new ATOM 0 HB2 TRP A 251 18.707 34.150 14.638 1.00 15.03 H new ATOM 0 HB3 TRP A 251 18.447 33.741 16.120 1.00 15.03 H new ATOM 0 HD1 TRP A 251 19.192 36.679 14.206 1.00 12.66 H new ATOM 0 HE1 TRP A 251 19.456 38.647 15.559 1.00 16.67 H new ATOM 0 HE3 TRP A 251 19.260 34.591 18.635 1.00 15.94 H new ATOM 0 HZ2 TRP A 251 19.658 39.248 18.255 1.00 12.85 H new ATOM 0 HZ3 TRP A 251 19.509 35.931 20.513 1.00 17.45 H new ATOM 0 HH2 TRP A 251 19.684 38.226 20.320 1.00 13.27 H new ATOM 1982 N TRP A 252 20.575 31.359 14.420 1.00 19.62 N ATOM 1983 CA TRP A 252 20.484 29.902 14.303 1.00 25.99 C ATOM 1984 C TRP A 252 21.821 29.197 14.612 1.00 29.52 C ATOM 1985 O TRP A 252 21.834 28.065 15.080 1.00 40.71 O ATOM 1986 CB TRP A 252 19.975 29.507 12.916 1.00 15.46 C ATOM 1987 CG TRP A 252 18.487 29.349 12.811 1.00 17.43 C ATOM 1988 CD1 TRP A 252 17.804 28.180 12.639 1.00 18.82 C ATOM 1989 CD2 TRP A 252 17.495 30.387 12.854 1.00 14.90 C ATOM 1990 NE1 TRP A 252 16.454 28.422 12.573 1.00 20.78 N ATOM 1991 CE2 TRP A 252 16.237 29.768 12.701 1.00 16.00 C ATOM 1992 CE3 TRP A 252 17.549 31.778 13.009 1.00 14.29 C ATOM 1993 CZ2 TRP A 252 15.043 30.488 12.705 1.00 18.73 C ATOM 1994 CZ3 TRP A 252 16.366 32.494 13.008 1.00 18.68 C ATOM 1995 CH2 TRP A 252 15.125 31.849 12.866 1.00 16.98 C ATOM 0 H TRP A 252 20.841 31.759 13.707 1.00 19.62 H new ATOM 0 HA TRP A 252 19.848 29.604 14.972 1.00 25.99 H new ATOM 0 HB2 TRP A 252 20.262 30.178 12.277 1.00 15.46 H new ATOM 0 HB3 TRP A 252 20.395 28.672 12.657 1.00 15.46 H new ATOM 0 HD1 TRP A 252 18.197 27.339 12.576 1.00 18.82 H new ATOM 0 HE1 TRP A 252 15.844 27.825 12.468 1.00 20.78 H new ATOM 0 HE3 TRP A 252 18.365 32.212 13.111 1.00 14.29 H new ATOM 0 HZ2 TRP A 252 14.222 30.063 12.603 1.00 18.73 H new ATOM 0 HZ3 TRP A 252 16.392 33.419 13.103 1.00 18.68 H new ATOM 0 HH2 TRP A 252 14.344 32.354 12.881 1.00 16.98 H new ATOM 1996 N ARG A 253 22.936 29.875 14.344 1.00 36.10 N ATOM 1997 CA ARG A 253 24.278 29.327 14.580 1.00 48.64 C ATOM 1998 C ARG A 253 24.513 28.920 16.033 1.00 49.82 C ATOM 1999 O ARG A 253 23.973 29.520 16.963 1.00 45.06 O ATOM 2000 CB ARG A 253 25.363 30.340 14.159 1.00 56.78 C ATOM 2001 CG ARG A 253 26.817 29.886 14.321 1.00 79.58 C ATOM 2002 CD ARG A 253 27.821 30.971 13.906 1.00 80.61 C ATOM 2003 NE ARG A 253 29.199 30.563 14.189 1.00 99.94 N ATOM 2004 CZ ARG A 253 30.288 31.225 13.800 1.00105.15 C ATOM 2005 NH1 ARG A 253 30.184 32.344 13.095 1.00 94.73 N ATOM 2006 NH2 ARG A 253 31.492 30.762 14.113 1.00106.07 N ATOM 0 H ARG A 253 22.938 30.671 14.018 1.00 36.10 H new ATOM 0 HA ARG A 253 24.337 28.526 14.036 1.00 48.64 H new ATOM 0 HB2 ARG A 253 25.218 30.571 13.228 1.00 56.78 H new ATOM 0 HB3 ARG A 253 25.238 31.152 14.676 1.00 56.78 H new ATOM 0 HG2 ARG A 253 26.975 29.640 15.246 1.00 79.58 H new ATOM 0 HG3 ARG A 253 26.966 29.090 13.787 1.00 79.58 H new ATOM 0 HD2 ARG A 253 27.725 31.157 12.959 1.00 80.61 H new ATOM 0 HD3 ARG A 253 27.623 31.795 14.378 1.00 80.61 H new ATOM 0 HE ARG A 253 29.314 29.841 14.641 1.00 99.94 H new ATOM 0 HH11 ARG A 253 29.408 32.649 12.885 1.00 94.73 H new ATOM 0 HH12 ARG A 253 30.893 32.764 12.848 1.00 94.73 H new ATOM 0 HH21 ARG A 253 31.569 30.035 14.566 1.00106.07 H new ATOM 0 HH22 ARG A 253 32.195 31.189 13.862 1.00106.07 H new ATOM 2007 N GLY A 254 25.329 27.890 16.216 1.00 60.04 N ATOM 2008 CA GLY A 254 25.798 27.535 17.535 1.00 65.17 C ATOM 2009 C GLY A 254 25.877 26.050 17.807 1.00 66.69 C ATOM 2010 O GLY A 254 26.486 25.291 17.053 1.00 60.85 O ATOM 0 H GLY A 254 25.621 27.386 15.583 1.00 60.04 H new ATOM 0 HA2 GLY A 254 26.678 27.921 17.665 1.00 65.17 H new ATOM 0 HA3 GLY A 254 25.210 27.940 18.192 1.00 65.17 H new ATOM 2011 N SER A 255 25.229 25.662 18.898 1.00 61.84 N ATOM 2012 CA SER A 255 25.362 24.355 19.524 1.00 69.16 C ATOM 2013 C SER A 255 25.494 23.169 18.553 1.00 73.37 C ATOM 2014 O SER A 255 24.565 22.846 17.816 1.00 74.00 O ATOM 2015 CB SER A 255 24.182 24.155 20.482 1.00 69.12 C ATOM 2016 OG SER A 255 23.896 25.347 21.205 1.00 53.97 O ATOM 0 H SER A 255 24.676 26.176 19.311 1.00 61.84 H new ATOM 0 HA SER A 255 26.207 24.359 20.000 1.00 69.16 H new ATOM 0 HB2 SER A 255 23.398 23.882 19.980 1.00 69.12 H new ATOM 0 HB3 SER A 255 24.385 23.438 21.103 1.00 69.12 H new ATOM 0 HG SER A 255 23.309 25.789 20.797 1.00 53.97 H new ATOM 2017 N GLY A 256 26.663 22.536 18.546 1.00 67.27 N ATOM 2018 CA GLY A 256 26.876 21.364 17.714 1.00 71.51 C ATOM 2019 C GLY A 256 26.312 20.108 18.356 1.00 68.00 C ATOM 2020 O GLY A 256 25.927 20.121 19.524 1.00 61.48 O ATOM 0 H GLY A 256 27.343 22.771 19.016 1.00 67.27 H new ATOM 0 HA2 GLY A 256 26.459 21.501 16.849 1.00 71.51 H new ATOM 0 HA3 GLY A 256 27.826 21.248 17.555 1.00 71.51 H new ATOM 2021 N CYS A 257 26.260 19.021 17.591 1.00 66.61 N ATOM 2022 CA CYS A 257 25.765 17.747 18.102 1.00 56.56 C ATOM 2023 C CYS A 257 26.741 16.599 17.820 1.00 58.64 C ATOM 2024 O CYS A 257 27.395 16.581 16.778 1.00 59.12 O ATOM 2025 CB CYS A 257 24.374 17.440 17.537 1.00 51.05 C ATOM 2026 SG CYS A 257 22.996 18.182 18.484 1.00 60.66 S ATOM 0 H CYS A 257 26.509 19.001 16.768 1.00 66.61 H new ATOM 0 HA CYS A 257 25.692 17.828 19.066 1.00 56.56 H new ATOM 0 HB2 CYS A 257 24.331 17.757 16.621 1.00 51.05 H new ATOM 0 HB3 CYS A 257 24.253 16.478 17.510 1.00 51.05 H new ATOM 2027 N PRO A 258 26.853 15.650 18.769 1.00 62.41 N ATOM 2028 CA PRO A 258 27.704 14.448 18.684 1.00 52.87 C ATOM 2029 C PRO A 258 27.481 13.615 17.415 1.00 52.56 C ATOM 2030 O PRO A 258 28.419 12.973 16.910 1.00 38.35 O ATOM 2031 CB PRO A 258 27.275 13.636 19.911 1.00 58.59 C ATOM 2032 CG PRO A 258 26.808 14.662 20.896 1.00 59.15 C ATOM 2033 CD PRO A 258 26.178 15.757 20.079 1.00 53.65 C ATOM 2034 OXT PRO A 258 26.364 13.556 16.875 1.00 46.77 O ATOM 0 HA PRO A 258 28.643 14.690 18.655 1.00 52.87 H new ATOM 0 HB2 PRO A 258 26.567 13.010 19.691 1.00 58.59 H new ATOM 0 HB3 PRO A 258 28.013 13.116 20.266 1.00 58.59 H new ATOM 0 HG2 PRO A 258 26.169 14.281 21.519 1.00 59.15 H new ATOM 0 HG3 PRO A 258 27.549 15.002 21.422 1.00 59.15 H new ATOM 0 HD2 PRO A 258 25.219 15.634 19.997 1.00 53.65 H new ATOM 0 HD3 PRO A 258 26.318 16.628 20.482 1.00 53.65 H new TER 2035 PRO A 258 HETATM 2036 CD G8M A 301 1.986 27.362 13.909 1.00 16.98 C HETATM 2037 OE1 G8M A 301 2.860 26.535 13.612 1.00 19.83 O HETATM 2038 OE2 G8M A 301 0.865 27.301 13.384 1.00 23.80 O HETATM 2039 CG G8M A 301 2.270 28.512 14.912 1.00 19.10 C HETATM 2040 C G8M A 301 1.604 30.997 12.549 1.00 16.33 C HETATM 2041 OXT G8M A 301 1.790 32.073 11.951 1.00 17.63 O HETATM 2042 O G8M A 301 0.492 30.691 12.994 1.00 14.32 O HETATM 2043 CA G8M A 301 2.796 30.047 12.764 1.00 18.15 C HETATM 2044 N G8M A 301 3.984 30.651 12.125 1.00 16.44 N HETATM 2045 CB G8M A 301 3.024 29.704 14.263 1.00 20.70 C HETATM 2046 C6 G8M A 301 4.334 29.024 14.729 1.00 16.34 C HETATM 2047 C7 G8M A 301 3.516 28.265 15.786 1.00 15.78 C HETATM 0 HG2 G8M A 301 1.390 28.618 15.306 1.00 19.10 H new HETATM 0 HA G8M A 301 2.609 29.191 12.347 1.00 18.15 H new HETATM 0 H9 G8M A 301 5.009 29.625 15.082 1.00 16.34 H new HETATM 0 H2 G8M A 301 3.918 31.409 11.725 1.00 16.44 H new HETATM 0 H12 G8M A 301 3.494 28.672 16.666 1.00 15.78 H new HETATM 0 H11 G8M A 301 3.759 27.334 15.910 1.00 15.78 H new HETATM 0 H10 G8M A 301 4.769 28.467 14.065 1.00 16.34 H new HETATM 0 H1 G8M A 301 4.741 30.244 12.153 1.00 16.44 H new HETATM 2048 CL CL A 302 4.361 44.099 26.667 1.00 28.24 CL HETATM 2049 CL CL A 303 18.767 37.401 2.407 1.00 37.34 CL HETATM 2050 K K A 304 16.179 40.438 34.371 1.00 40.34 K HETATM 2051 K K A 305 9.206 58.619 15.359 0.50 40.48 K HETATM 2052 O HOH A 401 2.285 26.408 9.247 1.00 15.47 O HETATM 2053 O HOH A 402 7.606 56.678 13.807 1.00 15.92 O HETATM 2054 O HOH A 403 8.062 47.610 24.595 1.00 15.35 O HETATM 2055 O HOH A 404 -3.841 30.440 8.532 1.00 16.61 O HETATM 2056 O HOH A 405 -1.199 26.037 14.334 1.00 22.56 O HETATM 2057 O HOH A 406 11.511 52.307 18.516 1.00 16.95 O HETATM 2058 O HOH A 407 -4.995 38.893 22.793 1.00 23.88 O HETATM 2059 O HOH A 408 15.039 51.087 16.582 1.00 19.26 O HETATM 2060 O HOH A 409 3.238 32.027 2.415 1.00 19.23 O HETATM 2061 O HOH A 410 7.125 15.454 7.328 1.00 22.66 O HETATM 2062 O HOH A 411 4.268 35.473 24.124 1.00 22.11 O HETATM 2063 O HOH A 412 4.241 28.999 19.622 1.00 25.83 O HETATM 2064 O HOH A 413 13.220 50.112 26.514 1.00 18.16 O HETATM 2065 O HOH A 414 0.350 49.463 9.750 1.00 23.35 O HETATM 2066 O HOH A 415 2.374 23.991 15.114 1.00 16.77 O HETATM 2067 O HOH A 416 5.357 25.857 14.224 1.00 24.66 O HETATM 2068 O HOH A 417 -3.600 8.546 13.316 1.00 31.90 O HETATM 2069 O HOH A 418 -2.786 27.859 7.579 1.00 23.49 O HETATM 2070 O HOH A 419 15.523 48.269 30.120 1.00 22.55 O HETATM 2071 O HOH A 420 -4.536 40.639 1.859 1.00 25.39 O HETATM 2072 O HOH A 421 -1.171 30.415 18.245 1.00 19.32 O HETATM 2073 O HOH A 422 14.214 31.793 3.639 1.00 21.71 O HETATM 2074 O HOH A 423 11.838 18.552 2.257 1.00 23.23 O HETATM 2075 O HOH A 424 0.927 30.300 20.350 1.00 20.53 O HETATM 2076 O HOH A 425 -9.433 13.003 0.453 1.00 34.17 O HETATM 2077 O HOH A 426 19.277 16.743 16.570 1.00 23.15 O HETATM 2078 O HOH A 427 7.356 27.825 14.392 1.00 25.39 O HETATM 2079 O HOH A 428 10.407 28.154 19.508 1.00 26.05 O HETATM 2080 O HOH A 429 -5.877 39.443 20.200 1.00 24.90 O HETATM 2081 O HOH A 430 15.971 34.897 6.665 1.00 24.20 O HETATM 2082 O HOH A 431 12.021 34.338 26.064 1.00 19.92 O HETATM 2083 O HOH A 432 18.152 41.563 18.999 1.00 18.81 O HETATM 2084 O HOH A 433 13.839 41.856 33.366 1.00 27.61 O HETATM 2085 O HOH A 434 -0.140 42.944 21.234 1.00 29.35 O HETATM 2086 O HOH A 435 7.593 41.979 30.615 1.00 23.61 O HETATM 2087 O HOH A 436 16.420 48.679 32.920 1.00 29.22 O HETATM 2088 O HOH A 437 -12.231 16.731 4.976 1.00 32.61 O HETATM 2089 O HOH A 438 -3.794 20.384 1.673 1.00 27.49 O HETATM 2090 O HOH A 439 1.195 20.926 0.024 1.00 25.26 O HETATM 2091 O HOH A 440 6.293 20.067 -0.334 1.00 27.56 O HETATM 2092 O HOH A 441 -8.735 18.295 6.886 1.00 26.50 O HETATM 2093 O HOH A 442 21.572 40.627 26.957 1.00 27.51 O HETATM 2094 O HOH A 443 12.171 27.045 26.094 1.00 28.44 O HETATM 2095 O HOH A 444 0.000 48.564 0.000 0.50 32.02 O HETATM 2096 O HOH A 445 20.385 37.952 26.274 1.00 27.88 O HETATM 2097 O HOH A 446 1.614 50.407 2.301 1.00 36.87 O HETATM 2098 O HOH A 447 -0.734 27.386 6.050 1.00 27.31 O HETATM 2099 O HOH A 448 -9.119 45.626 9.523 1.00 32.45 O HETATM 2100 O HOH A 449 13.240 24.971 5.964 1.00 28.64 O HETATM 2101 O HOH A 450 14.200 40.670 29.188 1.00 26.98 O HETATM 2102 O HOH A 451 14.498 54.412 14.214 1.00 21.20 O HETATM 2103 O HOH A 452 -7.241 44.079 8.566 1.00 28.25 O HETATM 2104 O HOH A 453 -4.381 33.905 -1.176 1.00 28.79 O HETATM 2105 O HOH A 454 -2.452 28.549 21.419 1.00 25.92 O HETATM 2106 O HOH A 455 17.098 17.260 24.408 1.00 29.50 O HETATM 2107 O HOH A 456 -3.225 11.161 1.057 1.00 38.31 O HETATM 2108 O HOH A 457 9.866 29.989 22.272 1.00 35.01 O HETATM 2109 O HOH A 458 15.626 39.712 31.760 1.00 38.84 O HETATM 2110 O HOH A 459 -5.633 12.622 -1.063 1.00 34.54 O HETATM 2111 O HOH A 460 -5.116 31.019 10.806 1.00 27.80 O HETATM 2112 O HOH A 461 15.374 41.012 37.043 1.00 33.19 O HETATM 2113 O HOH A 462 0.000 23.632 0.000 0.50 26.39 O HETATM 2114 O HOH A 463 12.362 41.061 30.738 1.00 26.75 O HETATM 2115 O HOH A 464 16.986 50.839 15.382 0.50 22.92 O HETATM 2116 O HOH A 465 1.837 52.790 -1.583 1.00 33.12 O HETATM 2117 O HOH A 466 19.853 32.192 19.440 1.00 28.86 O HETATM 2118 O HOH A 467 16.017 24.568 22.357 1.00 26.79 O HETATM 2119 O HOH A 468 16.369 32.952 5.056 1.00 33.66 O HETATM 2120 O HOH A 469 14.137 51.158 1.346 1.00 35.72 O HETATM 2121 O HOH A 470 -4.883 23.018 3.408 1.00 36.52 O HETATM 2122 O HOH A 471 11.324 33.402 23.653 1.00 23.39 O HETATM 2123 O HOH A 472 1.889 31.447 23.572 1.00 30.87 O HETATM 2124 O HOH A 473 22.513 40.789 8.675 1.00 30.74 O HETATM 2125 O HOH A 474 18.094 46.702 23.958 1.00 29.05 O HETATM 2126 O HOH A 475 10.063 27.049 30.068 1.00 36.00 O HETATM 2127 O HOH A 476 10.921 27.412 21.981 1.00 29.30 O HETATM 2128 O HOH A 477 3.961 11.088 4.013 1.00 37.20 O HETATM 2129 O HOH A 478 16.981 44.825 22.930 1.00 28.99 O HETATM 2130 O HOH A 479 -7.934 30.571 10.659 1.00 32.56 O HETATM 2131 O HOH A 480 21.802 41.375 12.953 1.00 30.73 O HETATM 2132 O HOH A 481 18.867 36.549 -0.854 1.00 42.00 O HETATM 2133 O HOH A 482 5.860 13.766 5.742 1.00 26.11 O HETATM 2134 O HOH A 483 -2.434 29.478 2.477 1.00 31.84 O HETATM 2135 O HOH A 484 13.952 18.167 4.636 1.00 34.38 O HETATM 2136 O HOH A 485 -11.226 32.750 17.055 1.00 40.16 O HETATM 2137 O HOH A 486 -10.730 19.821 5.493 1.00 32.67 O HETATM 2138 O HOH A 487 6.942 28.861 21.979 1.00 29.83 O HETATM 2139 O HOH A 488 25.692 36.199 10.834 1.00 33.74 O HETATM 2140 O HOH A 489 0.232 25.619 2.860 1.00 34.78 O HETATM 2141 O HOH A 490 7.703 22.161 -0.356 1.00 31.24 O HETATM 2142 O HOH A 491 -5.072 28.875 3.964 1.00 30.40 O HETATM 2143 O HOH A 492 -0.897 2.178 16.990 1.00 47.84 O HETATM 2144 O HOH A 493 7.651 47.706 30.002 1.00 18.59 O HETATM 2145 O HOH A 494 24.073 21.198 20.730 1.00 38.50 O HETATM 2146 O HOH A 495 0.087 38.825 1.258 1.00 28.90 O HETATM 2147 O HOH A 496 2.438 39.581 0.788 1.00 32.66 O HETATM 2148 O HOH A 497 9.892 58.146 7.948 1.00 35.30 O HETATM 2149 O HOH A 498 -4.428 26.724 5.030 1.00 34.45 O HETATM 2150 O HOH A 499 14.623 29.810 5.007 1.00 35.11 O HETATM 2151 O HOH A 500 13.857 14.395 8.006 1.00 32.12 O HETATM 2152 O HOH A 501 7.841 13.695 4.056 1.00 37.48 O HETATM 2153 O HOH A 502 4.421 20.203 27.793 1.00 37.03 O HETATM 2154 O HOH A 503 -3.614 41.833 23.118 1.00 34.86 O HETATM 2155 O HOH A 504 18.820 16.130 13.821 1.00 34.82 O HETATM 2156 O HOH A 505 -9.994 29.197 20.305 1.00 34.30 O HETATM 2157 O HOH A 506 20.736 43.932 17.509 1.00 31.62 O HETATM 2158 O HOH A 507 20.469 43.256 22.440 1.00 42.23 O HETATM 2159 O HOH A 508 20.433 41.528 20.407 1.00 33.91 O HETATM 2160 O HOH A 509 -12.060 37.250 8.314 1.00 34.02 O HETATM 2161 O HOH A 510 12.587 7.806 10.756 1.00 42.41 O HETATM 2162 O HOH A 511 16.907 38.100 35.555 1.00 32.65 O HETATM 2163 O HOH A 512 0.248 52.476 0.010 0.50 40.06 O HETATM 2164 O HOH A 513 10.212 31.073 24.980 1.00 38.25 O HETATM 2165 O HOH A 514 13.061 30.218 29.522 1.00 37.32 O HETATM 2166 O HOH A 515 5.427 9.511 2.129 1.00 41.20 O HETATM 2167 O HOH A 516 10.415 29.589 28.785 1.00 46.19 O HETATM 2168 O HOH A 517 19.571 45.284 12.874 1.00 32.62 O HETATM 2169 O HOH A 518 -8.116 34.274 22.745 1.00 38.49 O HETATM 2170 O HOH A 519 -12.511 45.018 21.907 1.00 42.64 O HETATM 2171 O HOH A 520 -11.890 46.097 11.905 1.00 37.25 O HETATM 2172 O HOH A 521 -2.638 51.081 16.966 1.00 34.55 O HETATM 2173 O HOH A 522 -1.918 9.452 22.763 1.00 45.36 O HETATM 2174 O HOH A 523 4.061 8.770 26.216 1.00 47.08 O HETATM 2175 O HOH A 524 20.541 46.082 2.679 1.00 41.67 O HETATM 2176 O HOH A 525 19.412 33.425 1.952 1.00 46.15 O HETATM 2177 O HOH A 526 3.222 24.694 -1.314 1.00 37.82 O HETATM 2178 O HOH A 527 -4.148 51.279 11.400 1.00 45.03 O HETATM 2179 O HOH A 528 20.689 29.198 9.282 1.00 41.41 O HETATM 2180 O HOH A 529 -7.361 28.395 24.201 1.00 34.07 O CONECT 11 2051 CONECT 171 2050 CONECT 185 2050 CONECT 402 2051 CONECT 1603 2026 CONECT 2026 1603 CONECT 2036 2037 2038 2039 CONECT 2037 2036 CONECT 2038 2036 CONECT 2039 2036 2045 2047 CONECT 2040 2041 2042 2043 CONECT 2041 2040 CONECT 2042 2040 CONECT 2043 2040 2044 2045 CONECT 2044 2043 CONECT 2045 2039 2043 2046 CONECT 2046 2045 2047 CONECT 2047 2039 2046 CONECT 2050 171 185 2084 2109 CONECT 2050 2112 2162 CONECT 2051 11 402 2053 CONECT 2053 2051 CONECT 2084 2050 CONECT 2109 2050 CONECT 2112 2050 CONECT 2162 2050 END