USER MOD reduce.3.24.130724 H: found=0, std=0, add=2157, rem=0, adj=70 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HORMONE/GROWTH FACTOR RECEPTOR 08-MAY-04 1T76 TITLE CRYSTAL STRUCTURE OF THE ANDROGEN RECEPTOR LIGAND BINDING TITLE 2 DOMAIN IN COMPLEX WITH A WXXVW MOTIF COMPND MOL_ID: 1; COMPND 2 MOLECULE: ANDROGEN RECEPTOR; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: LIGAND BINDING DOMAIN; COMPND 5 SYNONYM: DIHYDROTESTOSTERONE RECEPTOR; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: WXXVW MOTIF PEPTIDE; COMPND 9 CHAIN: B; COMPND 0 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PAN TROGLODYTES; SOURCE 3 ORGANISM_COMMON: CHIMPANZEE; SOURCE 4 ORGANISM_TAXID: 9598; SOURCE 5 GENE: AR, NR3C4; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 MOL_ID: 2; SOURCE 9 SYNTHETIC: YES; SOURCE 0 OTHER_DETAILS: DERIVED FROM PHAGE DISPLAY SELECTIONS KEYWDS NUCLEAR RECEPTOR, TRANSCRIPTION FACTOR, LIGAND BINDING KEYWDS 2 DOMAIN, AF-2, ANDROGEN, TESTOSTERONE, DHT, ALPHA-HELICAL KEYWDS 3 SANDWICH, HORMONE/GROWTH FACTOR RECEPTOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR E.HUR,S.J.PFAFF,E.S.PAYNE,H.GRON,B.M.BUEHRER,R.J.FLETTERICK REVDAT 3 24-FEB-09 1T76 1 VERSN REVDAT 2 28-SEP-04 1T76 1 JRNL REVDAT 1 31-AUG-04 1T76 0 JRNL AUTH E.HUR,S.J.PFAFF,E.S.PAYNE,H.GRON,B.M.BUEHRER, JRNL AUTH 2 R.J.FLETTERICK JRNL TITL RECOGNITION AND ACCOMMODATION AT THE ANDROGEN JRNL TITL 2 RECEPTOR COACTIVATOR BINDING INTERFACE. JRNL REF PLOS BIOL. V. 2 E274 2004 JRNL REFN ISSN 1544-9173 JRNL PMID 15328534 JRNL DOI 10.1371/JOURNAL.PBIO.0020274 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.10 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1211130.750 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 99.9 REMARK 3 NUMBER OF REFLECTIONS : 15170 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.208 REMARK 3 FREE R VALUE : 0.239 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 753 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.009 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.10 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.23 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.90 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2343 REMARK 3 BIN R VALUE (WORKING SET) : 0.3140 REMARK 3 BIN FREE R VALUE : 0.3840 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.60 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 138 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.033 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2117 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 31 REMARK 3 SOLVENT ATOMS : 88 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 23.90 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 43.80 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 19.19000 REMARK 3 B22 (A**2) : -11.43000 REMARK 3 B33 (A**2) : -7.76000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.26 REMARK 3 ESD FROM SIGMAA (A) : 0.31 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.31 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.39 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.006 REMARK 3 BOND ANGLES (DEGREES) : 1.10 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 17.98 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.73 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.360 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.170 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.130 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.110 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.37 REMARK 3 BSOL : 55.09 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 3 : ION.PARAM REMARK 3 PARAMETER FILE 4 : DHT_LIGAND.PAR REMARK 3 PARAMETER FILE 5 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : ION.TOP REMARK 3 TOPOLOGY FILE 4 : DHT_LIGAND.TOP REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1T76 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-MAY-04. REMARK 100 THE RCSB ID CODE IS RCSB022397. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 12-OCT-03 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ALS REMARK 200 BEAMLINE : 8.3.1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.93221 REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL SI(111) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 210 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 15724 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.100 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.06700 REMARK 200 FOR THE DATA SET : 26.2000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.14 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.9 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.56300 REMARK 200 FOR SHELL : 3.300 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: CNS 1.1 REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 35.30 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.90 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: SODIUM CITRATE, HEPES, ETHYLENE REMARK 280 GLYCOL, LITHIUM SULFATE, GLYCEROL, TCEP, N-OCTYL GLUCOSIDE, 5- REMARK 280 ALPHA DIHYDROTESTOSTERONE, PH 7.5, VAPOR DIFFUSION, HANGING REMARK 280 DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 26.69300 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 35.30300 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 33.21000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 35.30300 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 26.69300 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 33.21000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2000 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 12160 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -33.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY A 651 REMARK 465 SER A 652 REMARK 465 PRO A 653 REMARK 465 GLY A 654 REMARK 465 ILE A 655 REMARK 465 SER A 656 REMARK 465 GLY A 657 REMARK 465 GLY A 658 REMARK 465 GLY A 659 REMARK 465 GLY A 660 REMARK 465 GLY A 661 REMARK 465 SER A 662 REMARK 465 HIS A 663 REMARK 465 ILE A 664 REMARK 465 GLU A 665 REMARK 465 GLY A 666 REMARK 465 TYR A 667 REMARK 465 GLU A 668 REMARK 465 CYS A 669 REMARK 465 GLN A 919 REMARK 465 ASN B 108 REMARK 465 SER B 109 REMARK 465 LYS B 110 REMARK 465 VAL B 111 REMARK 465 SER B 112 REMARK 465 ARG B 113 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 845 CG CD CE NZ REMARK 470 LYS A 847 CG CD CE NZ 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 VAL A 757 28.30 -144.84 REMARK 500 CYS A 844 -73.91 -63.47 REMARK 500 LYS A 845 37.07 -88.37 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 201 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 202 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DHT A 200 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 203 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1T73 RELATED DB: PDB REMARK 900 RELATED ID: 1T74 RELATED DB: PDB REMARK 900 RELATED ID: 1T79 RELATED DB: PDB REMARK 900 RELATED ID: 1T7F RELATED DB: PDB REMARK 900 RELATED ID: 1T7M RELATED DB: PDB REMARK 900 RELATED ID: 1T7R RELATED DB: PDB REMARK 900 RELATED ID: 1T7T RELATED DB: PDB DBREF 1T76 A 662 919 UNP O97775 ANDR_PANTR 654 911 DBREF 1T76 B 99 113 PDB 1T76 1T76 99 113 SEQADV 1T76 GLY A 651 UNP O97775 CLONING ARTIFACT SEQADV 1T76 SER A 652 UNP O97775 CLONING ARTIFACT SEQADV 1T76 PRO A 653 UNP O97775 CLONING ARTIFACT SEQADV 1T76 GLY A 654 UNP O97775 CLONING ARTIFACT SEQADV 1T76 ILE A 655 UNP O97775 CLONING ARTIFACT SEQADV 1T76 SER A 656 UNP O97775 CLONING ARTIFACT SEQADV 1T76 GLY A 657 UNP O97775 CLONING ARTIFACT SEQADV 1T76 GLY A 658 UNP O97775 CLONING ARTIFACT SEQADV 1T76 GLY A 659 UNP O97775 CLONING ARTIFACT SEQADV 1T76 GLY A 660 UNP O97775 CLONING ARTIFACT SEQADV 1T76 GLY A 661 UNP O97775 CLONING ARTIFACT SEQRES 1 A 269 GLY SER PRO GLY ILE SER GLY GLY GLY GLY GLY SER HIS SEQRES 2 A 269 ILE GLU GLY TYR GLU CYS GLN PRO ILE PHE LEU ASN VAL SEQRES 3 A 269 LEU GLU ALA ILE GLU PRO GLY VAL VAL CYS ALA GLY HIS SEQRES 4 A 269 ASP ASN ASN GLN PRO ASP SER PHE ALA ALA LEU LEU SER SEQRES 5 A 269 SER LEU ASN GLU LEU GLY GLU ARG GLN LEU VAL HIS VAL SEQRES 6 A 269 VAL LYS TRP ALA LYS ALA LEU PRO GLY PHE ARG ASN LEU SEQRES 7 A 269 HIS VAL ASP ASP GLN MET ALA VAL ILE GLN TYR SER TRP SEQRES 8 A 269 MET GLY LEU MET VAL PHE ALA MET GLY TRP ARG SER PHE SEQRES 9 A 269 THR ASN VAL ASN SER ARG MET LEU TYR PHE ALA PRO ASP SEQRES 10 A 269 LEU VAL PHE ASN GLU TYR ARG MET HIS LYS SER ARG MET SEQRES 11 A 269 TYR SER GLN CYS VAL ARG MET ARG HIS LEU SER GLN GLU SEQRES 12 A 269 PHE GLY TRP LEU GLN ILE THR PRO GLN GLU PHE LEU CYS SEQRES 13 A 269 MET LYS ALA LEU LEU LEU PHE SER ILE ILE PRO VAL ASP SEQRES 14 A 269 GLY LEU LYS ASN GLN LYS PHE PHE ASP GLU LEU ARG MET SEQRES 15 A 269 ASN TYR ILE LYS GLU LEU ASP ARG ILE ILE ALA CYS LYS SEQRES 16 A 269 ARG LYS ASN PRO THR SER CYS SER ARG ARG PHE TYR GLN SEQRES 17 A 269 LEU THR LYS LEU LEU ASP SER VAL GLN PRO ILE ALA ARG SEQRES 18 A 269 GLU LEU HIS GLN PHE THR PHE ASP LEU LEU ILE LYS SER SEQRES 19 A 269 HIS MET VAL SER VAL ASP PHE PRO GLU MET MET ALA GLU SEQRES 20 A 269 ILE ILE SER VAL GLN VAL PRO LYS ILE LEU SER GLY LYS SEQRES 21 A 269 VAL LYS PRO ILE TYR PHE HIS THR GLN SEQRES 1 B 15 SER ARG TRP ALA GLU VAL TRP ASP ASP ASN SER LYS VAL SEQRES 2 B 15 SER ARG HET SO4 A 201 5 HET NA A 202 1 HET DHT A 200 21 HET EDO A 203 4 HETNAM SO4 SULFATE ION HETNAM NA SODIUM ION HETNAM DHT 5-ALPHA-DIHYDROTESTOSTERONE HETNAM EDO 1,2-ETHANEDIOL HETSYN EDO ETHYLENE GLYCOL FORMUL 3 SO4 O4 S 2- FORMUL 4 NA NA 1+ FORMUL 5 DHT C19 H30 O2 FORMUL 6 EDO C2 H6 O2 FORMUL 7 HOH *88(H2 O) HELIX 1 1 PRO A 671 GLU A 681 1 11 HELIX 2 2 SER A 696 ALA A 721 1 26 HELIX 3 3 GLY A 724 LEU A 728 5 5 HELIX 4 4 HIS A 729 ASN A 758 1 30 HELIX 5 5 ASN A 771 SER A 778 1 8 HELIX 6 6 MET A 780 LEU A 797 1 18 HELIX 7 7 THR A 800 LEU A 812 1 13 HELIX 8 8 ASN A 823 ALA A 843 1 21 HELIX 9 9 ASN A 848 LYS A 883 1 36 HELIX 10 10 SER A 884 VAL A 887 5 4 HELIX 11 11 PRO A 892 GLN A 902 1 11 HELIX 12 12 GLN A 902 SER A 908 1 7 HELIX 13 13 SER B 99 ASP B 107 1 9 SHEET 1 A 2 LEU A 762 ALA A 765 0 SHEET 2 A 2 LEU A 768 PHE A 770 -1 O PHE A 770 N LEU A 762 SHEET 1 B 2 ILE A 815 PRO A 817 0 SHEET 2 B 2 VAL A 911 PRO A 913 -1 O LYS A 912 N ILE A 816 LINK NA NA A 202 OE2 GLU A 897 1555 1555 2.23 SITE *** AC1 4 SER A 696 PHE A 697 LYS A 777 SER A 853 SITE *** AC2 2 GLN A 738 GLU A 897 SITE *** AC3 7 LEU A 704 ASN A 705 GLN A 711 MET A 749 SITE *** AC3 7 ARG A 752 PHE A 764 THR A 877 SITE *** AC4 4 ILE A 680 HIS A 714 TRP A 718 SER A 908 CRYST1 53.386 66.420 70.606 90.00 90.00 90.00 P 21 21 21 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.018732 0.000000 0.000000 0.00000 SCALE2 0.000000 0.015056 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014163 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 860 THR OG1 : rot 108:sc= 1.03 USER MOD Set 1.2: A 917 HIS :FLIP no HE2:sc= 0.539 F(o=-2.7!,f=1.6) USER MOD Set 2.1: A 738 GLN :FLIP amide:sc= -0.132 F(o=-2.3,f=-0.033) USER MOD Set 2.2: A 902 GLN :FLIP amide:sc= -0.463 F(o=-2.5!,f=-0.033) USER MOD Set 2.3: A 905 LYS NZ :NH3+ -151:sc= 0.562 (180deg=0.417) USER MOD Set 3.1: A 885 HIS : no HD1:sc= 0.00672 K(o=0.0067,f=-3!) USER MOD Set 3.2: A 886 MET CE :methyl -162:sc= 0 (180deg=0) USER MOD Set 4.1: A 742 MET CE :methyl -152:sc= -0.181 (180deg=-0.388) USER MOD Set 4.2: A 874 HIS : no HE2:sc= 1.11 K(o=0.93,f=-3!) USER MOD Set 5.1: A 780 MET CE :methyl 180:sc= -0.113 (180deg=-0.113) USER MOD Set 5.2: A 784 CYS SG : rot 76:sc= 0.253 USER MOD Set 6.1: A 782 SER OG : rot 18:sc= 0.0204 USER MOD Set 6.2: A 783 GLN : amide:sc= 0.248 K(o=0.27,f=-4!) USER MOD Set 7.1: A 759 SER OG : rot -61:sc= 1.29 USER MOD Set 7.2: A 791 SER OG : rot 76:sc= 1.24 USER MOD Set 8.1: A 755 THR OG1 : rot 69:sc= 0.0245 USER MOD Set 8.2: A 756 ASN : amide:sc= 0.272 X(o=0.3,f=-0.18) USER MOD Set 9.1: A 689 HIS : no HE2:sc= 0.922 K(o=4.8,f=-5.9!) USER MOD Set 9.2: A 691 ASN : amide:sc= 2.7 K(o=4.8,f=-3.3!) USER MOD Set 9.3: A 703 SER OG : rot 82:sc= 1.21 USER MOD Set10.1: A 200 DHT O17 : rot -68:sc= 1.7 USER MOD Set10.2: A 705 ASN : amide:sc= 0.908 K(o=3.3,f=0.35!) USER MOD Set10.3: A 877 THR OG1 : rot 85:sc= 0.686 USER MOD Single : A 203 EDO O1 : rot -39:sc= 0.144 USER MOD Single : A 203 EDO O2 : rot 140:sc= 1.09 USER MOD Single : A 670 GLN :FLIP amide:sc= -0.0943 F(o=-1.9!,f=-0.094) USER MOD Single : A 675 ASN : amide:sc= -1.04 K(o=-1,f=-1.8) USER MOD Single : A 686 CYS SG : rot 180:sc= 0 USER MOD Single : A 692 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 693 GLN : amide:sc= -0.848 K(o=-0.85,f=-2.7!) USER MOD Single : A 696 SER OG : rot 180:sc= 0.133 USER MOD Single : A 702 SER OG : rot 85:sc= 1.03 USER MOD Single : A 711 GLN A:FLIP amide:sc= -0.476 F(o=-1.4!,f=-0.48) USER MOD Single : A 711 GLN B:FLIP amide:sc= -0.0343 F(o=-1.8!,f=-0.034) USER MOD Single : A 714 HIS : no HE2:sc= 0.211 K(o=0.21,f=-0.82) USER MOD Single : A 717 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00156) USER MOD Single : A 727 ASN : amide:sc=-0.000657 K(o=-0.00066,f=-0.61) USER MOD Single : A 729 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-8.8!) USER MOD Single : A 733 GLN : amide:sc= 0.232 K(o=0.23,f=-0.69) USER MOD Single : A 734 MET CE :methyl -175:sc= -0.0575 (180deg=-0.0795) USER MOD Single : A 739 TYR OH : rot 180:sc= 0 USER MOD Single : A 740 SER OG A: rot -74:sc= 0.386 USER MOD Single : A 740 SER OG B: rot -133:sc= -3.89! USER MOD Single : A 745 MET CE :methyl 160:sc= -0.235 (180deg=-0.554) USER MOD Single : A 749 MET CE :methyl -133:sc= 0 (180deg=-0.594) USER MOD Single : A 753 SER OG : rot 76:sc= 1.18 USER MOD Single : A 758 ASN :FLIP amide:sc= -0.35 F(o=-2.2!,f=-0.35) USER MOD Single : A 761 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 763 TYR OH : rot 180:sc= 0 USER MOD Single : A 771 ASN : amide:sc= 0.0927 K(o=0.093,f=-6!) USER MOD Single : A 773 TYR OH : rot 180:sc= 0 USER MOD Single : A 775 MET CE :methyl -140:sc= -0.644 (180deg=-3.25!) USER MOD Single : A 776 HIS : no HD1:sc= -0.0213 X(o=-0.021,f=0) USER MOD Single : A 777 LYS NZ :NH3+ -172:sc= 0.189 (180deg=0.13) USER MOD Single : A 778 SER OG : rot -52:sc= 0.608 USER MOD Single : A 781 TYR OH : rot -174:sc= 0.942 USER MOD Single : A 787 MET CE :methyl -149:sc= -0.573 (180deg=-1.98!) USER MOD Single : A 789 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 792 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 798 GLN : amide:sc=-0.000609 X(o=-0.00061,f=-0.043) USER MOD Single : A 800 THR OG1 : rot 161:sc= -2.66! USER MOD Single : A 802 GLN : amide:sc= -2.11! C(o=-2.1!,f=-2.9!) USER MOD Single : A 806 CYS SG A: rot 150:sc= -0.456 USER MOD Single : A 806 CYS SG B: rot -160:sc= -5.26! USER MOD Single : A 807 MET CE :methyl 146:sc= -0.0874 (180deg=-0.171) USER MOD Single : A 808 LYS NZ :NH3+ 136:sc= 0.48 (180deg=-0.0341) USER MOD Single : A 814 SER OG : rot 68:sc= 0.904 USER MOD Single : A 822 LYS NZ :NH3+ -123:sc= -1.56 (180deg=-2.39) USER MOD Single : A 823 ASN : amide:sc= -1.43 K(o=-1.4,f=-3.1) USER MOD Single : A 824 GLN : amide:sc= 0.847 K(o=0.85,f=-3.5!) USER MOD Single : A 825 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.127) USER MOD Single : A 832 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 833 ASN : amide:sc= -0.211 K(o=-0.21,f=-3.8!) USER MOD Single : A 834 TYR OH : rot -5:sc= 0.779 USER MOD Single : A 836 LYS NZ :NH3+ 158:sc= -0.528 (180deg=-0.607) USER MOD Single : A 844 CYS SG : rot 180:sc= 0 USER MOD Single : A 848 ASN : amide:sc= -0.402 K(o=-0.4,f=-5!) USER MOD Single : A 850 THR OG1 : rot 180:sc= 0 USER MOD Single : A 851 SER OG : rot -170:sc= -1.06 USER MOD Single : A 852 CYS SG : rot 180:sc= -0.571 USER MOD Single : A 853 SER OG : rot 180:sc= 0 USER MOD Single : A 857 TYR OH : rot 180:sc= -0.214 USER MOD Single : A 858 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 861 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 865 SER OG : rot -29:sc= 1.29 USER MOD Single : A 867 GLN : amide:sc= 1.21 K(o=1.2,f=0.028) USER MOD Single : A 875 GLN :FLIP amide:sc= -0.126 F(o=-1.4!,f=-0.13) USER MOD Single : A 883 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0882) USER MOD Single : A 884 SER OG : rot -83:sc= 1.08 USER MOD Single : A 888 SER OG : rot 180:sc= 0 USER MOD Single : A 894 MET CE :methyl -165:sc= -0.0227 (180deg=-0.303) USER MOD Single : A 895 MET CE :methyl -141:sc= -3.38! (180deg=-4.05!) USER MOD Single : A 900 SER OG : rot -88:sc= 0.479 USER MOD Single : A 908 SER OG : rot -75:sc= 0.425 USER MOD Single : A 910 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 912 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 915 TYR OH : rot 180:sc= 0 USER MOD Single : A 918 THR OG1 : rot 180:sc= 0 USER MOD Single : B 99 SER OG : rot 180:sc= 0.169 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 670 -18.102 -6.106 59.054 1.00 68.41 N ATOM 2 CA GLN A 670 -18.624 -7.391 58.499 1.00 67.52 C ATOM 3 C GLN A 670 -17.741 -7.956 57.384 1.00 64.61 C ATOM 4 O GLN A 670 -17.365 -9.129 57.421 1.00 66.17 O ATOM 5 CB GLN A 670 -20.044 -7.203 57.955 1.00 68.77 C ATOM 6 CG GLN A 670 -20.616 -8.457 57.305 1.00 72.17 C ATOM 7 CD GLN A 670 -21.757 -8.159 56.351 1.00 74.10 C ATOM 8 OE1 GLN A 670 -22.089 -6.880 56.206 1.00 75.40 O flip ATOM 9 NE2 GLN A 670 -22.331 -9.067 55.748 1.00 75.39 N flip ATOM 0 HA GLN A 670 -18.624 -8.024 59.234 1.00 67.52 H new ATOM 0 HB2 GLN A 670 -20.627 -6.928 58.680 1.00 68.77 H new ATOM 0 HB3 GLN A 670 -20.041 -6.483 57.305 1.00 68.77 H new ATOM 0 HG2 GLN A 670 -19.910 -8.917 56.824 1.00 72.17 H new ATOM 0 HG3 GLN A 670 -20.928 -9.061 57.997 1.00 72.17 H new ATOM 0 HE21 GLN A 670 -22.088 -9.883 55.868 1.00 75.39 H new ATOM 0 HE22 GLN A 670 -22.975 -8.885 55.207 1.00 75.39 H new ATOM 10 N PRO A 671 -17.399 -7.128 56.378 1.00 60.91 N ATOM 11 CA PRO A 671 -16.563 -7.579 55.262 1.00 57.57 C ATOM 12 C PRO A 671 -15.092 -7.792 55.616 1.00 54.39 C ATOM 13 O PRO A 671 -14.270 -8.015 54.731 1.00 53.85 O ATOM 14 CB PRO A 671 -16.750 -6.470 54.235 1.00 57.26 C ATOM 15 CG PRO A 671 -16.820 -5.261 55.104 1.00 58.13 C ATOM 16 CD PRO A 671 -17.763 -5.709 56.205 1.00 60.25 C ATOM 0 HA PRO A 671 -16.827 -8.458 54.949 1.00 57.57 H new ATOM 0 HB2 PRO A 671 -16.011 -6.426 53.608 1.00 57.26 H new ATOM 0 HB3 PRO A 671 -17.558 -6.590 53.712 1.00 57.26 H new ATOM 0 HG2 PRO A 671 -15.949 -5.014 55.452 1.00 58.13 H new ATOM 0 HG3 PRO A 671 -17.163 -4.490 54.625 1.00 58.13 H new ATOM 0 HD2 PRO A 671 -17.633 -5.201 57.021 1.00 60.25 H new ATOM 0 HD3 PRO A 671 -18.693 -5.603 55.950 1.00 60.25 H new ATOM 17 N ILE A 672 -14.770 -7.730 56.904 1.00 50.96 N ATOM 18 CA ILE A 672 -13.395 -7.907 57.360 1.00 47.66 C ATOM 19 C ILE A 672 -12.767 -9.209 56.877 1.00 45.94 C ATOM 20 O ILE A 672 -11.693 -9.199 56.273 1.00 43.18 O ATOM 21 CB ILE A 672 -13.302 -7.871 58.908 1.00 48.31 C ATOM 22 CG1 ILE A 672 -13.744 -6.502 59.431 1.00 48.52 C ATOM 23 CG2 ILE A 672 -11.879 -8.157 59.353 1.00 45.73 C ATOM 24 CD1 ILE A 672 -12.873 -5.357 58.970 1.00 50.54 C ATOM 0 H ILE A 672 -15.337 -7.585 57.534 1.00 50.96 H new ATOM 0 HA ILE A 672 -12.903 -7.165 56.975 1.00 47.66 H new ATOM 0 HB ILE A 672 -13.889 -8.552 59.270 1.00 48.31 H new ATOM 0 HG12 ILE A 672 -14.657 -6.337 59.147 1.00 48.52 H new ATOM 0 HG13 ILE A 672 -13.748 -6.523 60.401 1.00 48.52 H new ATOM 0 HG21 ILE A 672 -11.831 -8.132 60.322 1.00 45.73 H new ATOM 0 HG22 ILE A 672 -11.612 -9.035 59.039 1.00 45.73 H new ATOM 0 HG23 ILE A 672 -11.283 -7.487 58.983 1.00 45.73 H new ATOM 0 HD11 ILE A 672 -13.210 -4.525 59.338 1.00 50.54 H new ATOM 0 HD12 ILE A 672 -11.963 -5.499 59.275 1.00 50.54 H new ATOM 0 HD13 ILE A 672 -12.885 -5.310 58.001 1.00 50.54 H new ATOM 25 N PHE A 673 -13.435 -10.329 57.138 1.00 44.30 N ATOM 26 CA PHE A 673 -12.897 -11.623 56.734 1.00 43.47 C ATOM 27 C PHE A 673 -12.713 -11.743 55.230 1.00 43.28 C ATOM 28 O PHE A 673 -11.665 -12.200 54.759 1.00 41.31 O ATOM 29 CB PHE A 673 -13.794 -12.759 57.221 1.00 44.19 C ATOM 30 CG PHE A 673 -13.215 -14.122 56.974 1.00 43.90 C ATOM 31 CD1 PHE A 673 -12.042 -14.517 57.612 1.00 43.25 C ATOM 32 CD2 PHE A 673 -13.827 -15.003 56.092 1.00 43.24 C ATOM 33 CE1 PHE A 673 -11.487 -15.768 57.374 1.00 41.50 C ATOM 34 CE2 PHE A 673 -13.279 -16.259 55.847 1.00 43.32 C ATOM 35 CZ PHE A 673 -12.105 -16.641 56.490 1.00 44.03 C ATOM 0 H PHE A 673 -14.193 -10.362 57.543 1.00 44.30 H new ATOM 0 HA PHE A 673 -12.022 -11.691 57.147 1.00 43.47 H new ATOM 0 HB2 PHE A 673 -13.955 -12.651 58.171 1.00 44.19 H new ATOM 0 HB3 PHE A 673 -14.655 -12.695 56.778 1.00 44.19 H new ATOM 0 HD1 PHE A 673 -11.624 -13.935 58.206 1.00 43.25 H new ATOM 0 HD2 PHE A 673 -14.611 -14.751 55.660 1.00 43.24 H new ATOM 0 HE1 PHE A 673 -10.703 -16.020 57.806 1.00 41.50 H new ATOM 0 HE2 PHE A 673 -13.697 -16.842 55.255 1.00 43.32 H new ATOM 0 HZ PHE A 673 -11.736 -17.479 56.328 1.00 44.03 H new ATOM 36 N LEU A 674 -13.738 -11.338 54.482 1.00 43.09 N ATOM 37 CA LEU A 674 -13.697 -11.396 53.027 1.00 43.46 C ATOM 38 C LEU A 674 -12.687 -10.428 52.438 1.00 41.65 C ATOM 39 O LEU A 674 -12.059 -10.745 51.433 1.00 42.06 O ATOM 40 CB LEU A 674 -15.087 -11.127 52.437 1.00 47.31 C ATOM 41 CG LEU A 674 -16.040 -12.328 52.438 1.00 49.56 C ATOM 42 CD1 LEU A 674 -17.410 -11.923 51.913 1.00 50.09 C ATOM 43 CD2 LEU A 674 -15.444 -13.428 51.570 1.00 50.99 C ATOM 0 H LEU A 674 -14.471 -11.024 54.804 1.00 43.09 H new ATOM 0 HA LEU A 674 -13.414 -12.293 52.789 1.00 43.46 H new ATOM 0 HB2 LEU A 674 -15.500 -10.404 52.935 1.00 47.31 H new ATOM 0 HB3 LEU A 674 -14.981 -10.817 51.524 1.00 47.31 H new ATOM 0 HG LEU A 674 -16.152 -12.652 53.345 1.00 49.56 H new ATOM 0 HD11 LEU A 674 -18.000 -12.693 51.920 1.00 50.09 H new ATOM 0 HD12 LEU A 674 -17.780 -11.227 52.478 1.00 50.09 H new ATOM 0 HD13 LEU A 674 -17.324 -11.591 51.006 1.00 50.09 H new ATOM 0 HD21 LEU A 674 -16.039 -14.194 51.563 1.00 50.99 H new ATOM 0 HD22 LEU A 674 -15.330 -13.100 50.664 1.00 50.99 H new ATOM 0 HD23 LEU A 674 -14.582 -13.692 51.928 1.00 50.99 H new ATOM 44 N ASN A 675 -12.532 -9.252 53.049 1.00 40.17 N ATOM 45 CA ASN A 675 -11.553 -8.271 52.564 1.00 39.51 C ATOM 46 C ASN A 675 -10.171 -8.928 52.568 1.00 37.54 C ATOM 47 O ASN A 675 -9.413 -8.829 51.601 1.00 35.85 O ATOM 48 CB ASN A 675 -11.503 -7.028 53.467 1.00 40.12 C ATOM 49 CG ASN A 675 -12.734 -6.144 53.332 1.00 42.47 C ATOM 50 OD1 ASN A 675 -13.366 -6.093 52.281 1.00 43.18 O ATOM 51 ND2 ASN A 675 -13.063 -5.423 54.398 1.00 42.67 N ATOM 0 H ASN A 675 -12.979 -9.003 53.740 1.00 40.17 H new ATOM 0 HA ASN A 675 -11.813 -7.991 51.673 1.00 39.51 H new ATOM 0 HB2 ASN A 675 -11.413 -7.309 54.391 1.00 40.12 H new ATOM 0 HB3 ASN A 675 -10.713 -6.509 53.250 1.00 40.12 H new ATOM 0 HD21 ASN A 675 -13.742 -4.896 54.368 1.00 42.67 H new ATOM 0 HD22 ASN A 675 -12.597 -5.484 55.119 1.00 42.67 H new ATOM 52 N VAL A 676 -9.859 -9.608 53.668 1.00 36.21 N ATOM 53 CA VAL A 676 -8.576 -10.286 53.807 1.00 36.55 C ATOM 54 C VAL A 676 -8.359 -11.365 52.751 1.00 35.37 C ATOM 55 O VAL A 676 -7.334 -11.370 52.066 1.00 36.85 O ATOM 56 CB VAL A 676 -8.430 -10.934 55.206 1.00 35.69 C ATOM 57 CG1 VAL A 676 -7.094 -11.663 55.308 1.00 35.65 C ATOM 58 CG2 VAL A 676 -8.538 -9.871 56.278 1.00 32.14 C ATOM 0 H VAL A 676 -10.380 -9.688 54.348 1.00 36.21 H new ATOM 0 HA VAL A 676 -7.904 -9.597 53.686 1.00 36.55 H new ATOM 0 HB VAL A 676 -9.143 -11.579 55.335 1.00 35.69 H new ATOM 0 HG11 VAL A 676 -7.011 -12.065 56.187 1.00 35.65 H new ATOM 0 HG12 VAL A 676 -7.050 -12.356 54.630 1.00 35.65 H new ATOM 0 HG13 VAL A 676 -6.370 -11.032 55.172 1.00 35.65 H new ATOM 0 HG21 VAL A 676 -8.446 -10.282 57.152 1.00 32.14 H new ATOM 0 HG22 VAL A 676 -7.835 -9.214 56.154 1.00 32.14 H new ATOM 0 HG23 VAL A 676 -9.402 -9.435 56.216 1.00 32.14 H new ATOM 59 N LEU A 677 -9.319 -12.276 52.613 1.00 36.25 N ATOM 60 CA LEU A 677 -9.188 -13.352 51.639 1.00 34.08 C ATOM 61 C LEU A 677 -8.972 -12.833 50.230 1.00 34.74 C ATOM 62 O LEU A 677 -8.156 -13.374 49.478 1.00 34.98 O ATOM 63 CB LEU A 677 -10.414 -14.270 51.665 1.00 35.62 C ATOM 64 CG LEU A 677 -10.618 -15.111 52.926 1.00 36.95 C ATOM 65 CD1 LEU A 677 -11.578 -16.247 52.599 1.00 37.32 C ATOM 66 CD2 LEU A 677 -9.288 -15.678 53.407 1.00 35.67 C ATOM 0 H LEU A 677 -10.047 -12.288 53.070 1.00 36.25 H new ATOM 0 HA LEU A 677 -8.401 -13.858 51.895 1.00 34.08 H new ATOM 0 HB2 LEU A 677 -11.204 -13.723 51.535 1.00 35.62 H new ATOM 0 HB3 LEU A 677 -10.358 -14.871 50.906 1.00 35.62 H new ATOM 0 HG LEU A 677 -10.985 -14.556 53.632 1.00 36.95 H new ATOM 0 HD11 LEU A 677 -11.718 -16.791 53.390 1.00 37.32 H new ATOM 0 HD12 LEU A 677 -12.426 -15.880 52.305 1.00 37.32 H new ATOM 0 HD13 LEU A 677 -11.202 -16.795 51.893 1.00 37.32 H new ATOM 0 HD21 LEU A 677 -9.432 -16.208 54.206 1.00 35.67 H new ATOM 0 HD22 LEU A 677 -8.904 -16.237 52.713 1.00 35.67 H new ATOM 0 HD23 LEU A 677 -8.679 -14.950 53.608 1.00 35.67 H new ATOM 67 N GLU A 678 -9.705 -11.787 49.870 1.00 36.21 N ATOM 68 CA GLU A 678 -9.581 -11.193 48.545 1.00 38.27 C ATOM 69 C GLU A 678 -8.212 -10.541 48.429 1.00 35.30 C ATOM 70 O GLU A 678 -7.538 -10.654 47.411 1.00 34.31 O ATOM 71 CB GLU A 678 -10.663 -10.130 48.337 1.00 43.14 C ATOM 72 CG GLU A 678 -10.595 -9.422 46.988 1.00 52.47 C ATOM 73 CD GLU A 678 -10.966 -10.331 45.820 1.00 59.54 C ATOM 74 OE1 GLU A 678 -10.235 -11.314 45.557 1.00 61.85 O ATOM 75 OE2 GLU A 678 -11.999 -10.060 45.165 1.00 62.92 O ATOM 0 H GLU A 678 -10.282 -11.405 50.380 1.00 36.21 H new ATOM 0 HA GLU A 678 -9.686 -11.884 47.872 1.00 38.27 H new ATOM 0 HB2 GLU A 678 -11.534 -10.548 48.428 1.00 43.14 H new ATOM 0 HB3 GLU A 678 -10.591 -9.468 49.042 1.00 43.14 H new ATOM 0 HG2 GLU A 678 -11.192 -8.657 46.999 1.00 52.47 H new ATOM 0 HG3 GLU A 678 -9.698 -9.079 46.853 1.00 52.47 H new ATOM 76 N ALA A 679 -7.809 -9.863 49.491 1.00 34.74 N ATOM 77 CA ALA A 679 -6.529 -9.177 49.520 1.00 36.43 C ATOM 78 C ALA A 679 -5.334 -10.111 49.327 1.00 36.12 C ATOM 79 O ALA A 679 -4.424 -9.801 48.564 1.00 37.78 O ATOM 80 CB ALA A 679 -6.391 -8.411 50.833 1.00 34.91 C ATOM 0 H ALA A 679 -8.268 -9.787 50.214 1.00 34.74 H new ATOM 0 HA ALA A 679 -6.519 -8.565 48.768 1.00 36.43 H new ATOM 0 HB1 ALA A 679 -5.536 -7.953 50.852 1.00 34.91 H new ATOM 0 HB2 ALA A 679 -7.107 -7.761 50.906 1.00 34.91 H new ATOM 0 HB3 ALA A 679 -6.442 -9.032 51.577 1.00 34.91 H new ATOM 81 N ILE A 680 -5.339 -11.259 50.001 1.00 37.14 N ATOM 82 CA ILE A 680 -4.218 -12.198 49.902 1.00 35.82 C ATOM 83 C ILE A 680 -4.262 -13.222 48.759 1.00 36.14 C ATOM 84 O ILE A 680 -3.314 -13.994 48.588 1.00 33.68 O ATOM 85 CB ILE A 680 -4.032 -12.966 51.227 1.00 35.62 C ATOM 86 CG1 ILE A 680 -5.319 -13.729 51.575 1.00 36.93 C ATOM 87 CG2 ILE A 680 -3.680 -11.988 52.341 1.00 32.68 C ATOM 88 CD1 ILE A 680 -5.183 -14.679 52.760 1.00 32.80 C ATOM 0 H ILE A 680 -5.977 -11.514 50.519 1.00 37.14 H new ATOM 0 HA ILE A 680 -3.470 -11.615 49.700 1.00 35.82 H new ATOM 0 HB ILE A 680 -3.309 -13.605 51.129 1.00 35.62 H new ATOM 0 HG12 ILE A 680 -6.021 -13.088 51.767 1.00 36.93 H new ATOM 0 HG13 ILE A 680 -5.602 -14.236 50.798 1.00 36.93 H new ATOM 0 HG21 ILE A 680 -3.564 -12.473 53.173 1.00 32.68 H new ATOM 0 HG22 ILE A 680 -2.856 -11.526 52.118 1.00 32.68 H new ATOM 0 HG23 ILE A 680 -4.396 -11.341 52.442 1.00 32.68 H new ATOM 0 HD11 ILE A 680 -6.031 -15.122 52.919 1.00 32.80 H new ATOM 0 HD12 ILE A 680 -4.503 -15.343 52.566 1.00 32.80 H new ATOM 0 HD13 ILE A 680 -4.928 -14.177 53.550 1.00 32.80 H new ATOM 89 N GLU A 681 -5.335 -13.228 47.969 1.00 35.94 N ATOM 90 CA GLU A 681 -5.443 -14.188 46.871 1.00 37.92 C ATOM 91 C GLU A 681 -4.292 -14.060 45.856 1.00 40.51 C ATOM 92 O GLU A 681 -4.068 -12.993 45.276 1.00 40.14 O ATOM 93 CB GLU A 681 -6.786 -14.024 46.162 1.00 37.58 C ATOM 94 CG GLU A 681 -7.015 -15.016 45.048 1.00 36.23 C ATOM 95 CD GLU A 681 -7.118 -16.443 45.541 1.00 37.95 C ATOM 96 OE1 GLU A 681 -7.178 -17.351 44.688 1.00 40.41 O ATOM 97 OE2 GLU A 681 -7.142 -16.663 46.772 1.00 38.59 O ATOM 0 H GLU A 681 -6.003 -12.692 48.050 1.00 35.94 H new ATOM 0 HA GLU A 681 -5.382 -15.074 47.261 1.00 37.92 H new ATOM 0 HB2 GLU A 681 -7.499 -14.113 46.814 1.00 37.58 H new ATOM 0 HB3 GLU A 681 -6.843 -13.126 45.800 1.00 37.58 H new ATOM 0 HG2 GLU A 681 -7.829 -14.782 44.576 1.00 36.23 H new ATOM 0 HG3 GLU A 681 -6.288 -14.951 44.409 1.00 36.23 H new ATOM 98 N PRO A 682 -3.556 -15.162 45.622 1.00 40.22 N ATOM 99 CA PRO A 682 -2.428 -15.191 44.689 1.00 40.90 C ATOM 100 C PRO A 682 -2.792 -14.745 43.283 1.00 42.05 C ATOM 101 O PRO A 682 -3.890 -15.022 42.798 1.00 43.07 O ATOM 102 CB PRO A 682 -1.995 -16.658 44.707 1.00 41.20 C ATOM 103 CG PRO A 682 -2.448 -17.142 46.050 1.00 42.86 C ATOM 104 CD PRO A 682 -3.798 -16.500 46.187 1.00 39.84 C ATOM 0 HA PRO A 682 -1.730 -14.571 44.954 1.00 40.90 H new ATOM 0 HB2 PRO A 682 -2.409 -17.161 43.988 1.00 41.20 H new ATOM 0 HB3 PRO A 682 -1.035 -16.748 44.600 1.00 41.20 H new ATOM 0 HG2 PRO A 682 -2.503 -18.110 46.086 1.00 42.86 H new ATOM 0 HG3 PRO A 682 -1.843 -16.866 46.756 1.00 42.86 H new ATOM 0 HD2 PRO A 682 -4.482 -16.983 45.697 1.00 39.84 H new ATOM 0 HD3 PRO A 682 -4.088 -16.457 47.112 1.00 39.84 H new ATOM 105 N GLY A 683 -1.865 -14.056 42.631 1.00 41.13 N ATOM 106 CA GLY A 683 -2.106 -13.625 41.272 1.00 41.07 C ATOM 107 C GLY A 683 -1.738 -14.755 40.326 1.00 43.35 C ATOM 108 O GLY A 683 -1.561 -15.897 40.757 1.00 43.42 O ATOM 0 H GLY A 683 -1.101 -13.832 42.956 1.00 41.13 H new ATOM 0 HA2 GLY A 683 -3.038 -13.381 41.157 1.00 41.07 H new ATOM 0 HA3 GLY A 683 -1.580 -12.835 41.072 1.00 41.07 H new ATOM 109 N VAL A 684 -1.597 -14.439 39.044 1.00 43.93 N ATOM 110 CA VAL A 684 -1.263 -15.432 38.034 1.00 44.89 C ATOM 111 C VAL A 684 0.121 -16.049 38.227 1.00 46.17 C ATOM 112 O VAL A 684 1.073 -15.361 38.580 1.00 48.49 O ATOM 113 CB VAL A 684 -1.343 -14.815 36.621 1.00 45.62 C ATOM 114 CG1 VAL A 684 -1.030 -15.869 35.570 1.00 43.21 C ATOM 115 CG2 VAL A 684 -2.737 -14.225 36.392 1.00 43.64 C ATOM 0 H VAL A 684 -1.693 -13.642 38.736 1.00 43.93 H new ATOM 0 HA VAL A 684 -1.917 -16.142 38.133 1.00 44.89 H new ATOM 0 HB VAL A 684 -0.687 -14.104 36.546 1.00 45.62 H new ATOM 0 HG11 VAL A 684 -1.083 -15.471 34.687 1.00 43.21 H new ATOM 0 HG12 VAL A 684 -0.136 -16.215 35.715 1.00 43.21 H new ATOM 0 HG13 VAL A 684 -1.672 -16.593 35.637 1.00 43.21 H new ATOM 0 HG21 VAL A 684 -2.783 -13.839 35.504 1.00 43.64 H new ATOM 0 HG22 VAL A 684 -3.403 -14.926 36.474 1.00 43.64 H new ATOM 0 HG23 VAL A 684 -2.910 -13.536 37.053 1.00 43.64 H new ATOM 116 N VAL A 685 0.217 -17.356 38.007 1.00 44.90 N ATOM 117 CA VAL A 685 1.485 -18.067 38.133 1.00 45.01 C ATOM 118 C VAL A 685 1.660 -18.898 36.873 1.00 45.43 C ATOM 119 O VAL A 685 0.775 -19.667 36.515 1.00 45.27 O ATOM 120 CB VAL A 685 1.493 -19.021 39.355 1.00 45.24 C ATOM 121 CG1 VAL A 685 2.840 -19.712 39.470 1.00 43.05 C ATOM 122 CG2 VAL A 685 1.185 -18.247 40.623 1.00 44.08 C ATOM 0 H VAL A 685 -0.447 -17.854 37.782 1.00 44.90 H new ATOM 0 HA VAL A 685 2.200 -17.423 38.255 1.00 45.01 H new ATOM 0 HB VAL A 685 0.808 -19.697 39.231 1.00 45.24 H new ATOM 0 HG11 VAL A 685 2.835 -20.306 40.237 1.00 43.05 H new ATOM 0 HG12 VAL A 685 3.010 -20.225 38.665 1.00 43.05 H new ATOM 0 HG13 VAL A 685 3.537 -19.047 39.582 1.00 43.05 H new ATOM 0 HG21 VAL A 685 1.192 -18.852 41.381 1.00 44.08 H new ATOM 0 HG22 VAL A 685 1.856 -17.558 40.753 1.00 44.08 H new ATOM 0 HG23 VAL A 685 0.310 -17.835 40.547 1.00 44.08 H new ATOM 123 N CYS A 686 2.788 -18.732 36.191 1.00 46.03 N ATOM 124 CA CYS A 686 3.039 -19.491 34.971 1.00 47.60 C ATOM 125 C CYS A 686 3.903 -20.712 35.255 1.00 45.83 C ATOM 126 O CYS A 686 4.614 -20.758 36.255 1.00 46.32 O ATOM 127 CB CYS A 686 3.706 -18.601 33.915 1.00 48.93 C ATOM 128 SG CYS A 686 2.634 -17.283 33.278 1.00 53.93 S ATOM 0 H CYS A 686 3.416 -18.189 36.415 1.00 46.03 H new ATOM 0 HA CYS A 686 2.186 -19.798 34.627 1.00 47.60 H new ATOM 0 HB2 CYS A 686 4.502 -18.201 34.299 1.00 48.93 H new ATOM 0 HB3 CYS A 686 3.996 -19.156 33.174 1.00 48.93 H new ATOM 0 HG CYS A 686 3.234 -16.638 32.463 1.00 53.93 H new ATOM 129 N ALA A 687 3.839 -21.701 34.372 1.00 45.06 N ATOM 130 CA ALA A 687 4.608 -22.928 34.550 1.00 46.06 C ATOM 131 C ALA A 687 5.950 -22.906 33.835 1.00 47.71 C ATOM 132 O ALA A 687 6.852 -23.664 34.187 1.00 48.60 O ATOM 133 CB ALA A 687 3.797 -24.119 34.072 1.00 44.54 C ATOM 0 H ALA A 687 3.355 -21.682 33.661 1.00 45.06 H new ATOM 0 HA ALA A 687 4.795 -23.002 35.499 1.00 46.06 H new ATOM 0 HB1 ALA A 687 4.313 -24.931 34.193 1.00 44.54 H new ATOM 0 HB2 ALA A 687 2.976 -24.179 34.585 1.00 44.54 H new ATOM 0 HB3 ALA A 687 3.583 -24.009 33.132 1.00 44.54 H new ATOM 134 N GLY A 688 6.073 -22.046 32.828 1.00 49.03 N ATOM 135 CA GLY A 688 7.308 -21.964 32.070 1.00 50.17 C ATOM 136 C GLY A 688 7.373 -23.032 30.989 1.00 51.53 C ATOM 137 O GLY A 688 8.454 -23.414 30.541 1.00 53.05 O ATOM 0 H GLY A 688 5.455 -21.506 32.572 1.00 49.03 H new ATOM 0 HA2 GLY A 688 7.381 -21.086 31.664 1.00 50.17 H new ATOM 0 HA3 GLY A 688 8.064 -22.063 32.670 1.00 50.17 H new ATOM 138 N HIS A 689 6.211 -23.512 30.561 1.00 51.22 N ATOM 139 CA HIS A 689 6.138 -24.554 29.541 1.00 50.98 C ATOM 140 C HIS A 689 6.407 -24.038 28.129 1.00 51.09 C ATOM 141 O HIS A 689 5.944 -22.963 27.758 1.00 50.68 O ATOM 142 CB HIS A 689 4.757 -25.212 29.568 1.00 48.65 C ATOM 143 CG HIS A 689 4.638 -26.395 28.660 1.00 48.27 C ATOM 144 ND1 HIS A 689 5.355 -27.555 28.856 1.00 46.51 N ATOM 145 CD2 HIS A 689 3.900 -26.592 27.542 1.00 48.15 C ATOM 146 CE1 HIS A 689 5.064 -28.417 27.898 1.00 46.18 C ATOM 147 NE2 HIS A 689 4.184 -27.858 27.087 1.00 48.17 N ATOM 0 H HIS A 689 5.446 -23.246 30.851 1.00 51.22 H new ATOM 0 HA HIS A 689 6.835 -25.194 29.755 1.00 50.98 H new ATOM 0 HB2 HIS A 689 4.557 -25.489 30.476 1.00 48.65 H new ATOM 0 HB3 HIS A 689 4.089 -24.554 29.319 1.00 48.65 H new ATOM 0 HD1 HIS A 689 5.906 -27.696 29.501 1.00 46.51 H new ATOM 0 HD2 HIS A 689 3.312 -25.985 27.155 1.00 48.15 H new ATOM 0 HE1 HIS A 689 5.419 -29.272 27.810 1.00 46.18 H new ATOM 148 N ASP A 690 7.152 -24.820 27.349 1.00 52.10 N ATOM 149 CA ASP A 690 7.466 -24.471 25.962 1.00 53.51 C ATOM 150 C ASP A 690 6.319 -24.997 25.106 1.00 54.52 C ATOM 151 O ASP A 690 6.311 -26.166 24.735 1.00 54.24 O ATOM 152 CB ASP A 690 8.770 -25.145 25.516 1.00 53.65 C ATOM 153 CG ASP A 690 9.199 -24.731 24.109 1.00 55.19 C ATOM 154 OD1 ASP A 690 8.320 -24.447 23.260 1.00 55.87 O ATOM 155 OD2 ASP A 690 10.421 -24.703 23.846 1.00 53.24 O ATOM 0 H ASP A 690 7.490 -25.567 27.608 1.00 52.10 H new ATOM 0 HA ASP A 690 7.575 -23.511 25.873 1.00 53.51 H new ATOM 0 HB2 ASP A 690 9.475 -24.922 26.143 1.00 53.65 H new ATOM 0 HB3 ASP A 690 8.658 -26.108 25.545 1.00 53.65 H new ATOM 156 N ASN A 691 5.351 -24.141 24.801 1.00 57.03 N ATOM 157 CA ASN A 691 4.206 -24.551 23.995 1.00 60.38 C ATOM 158 C ASN A 691 4.538 -24.679 22.515 1.00 63.20 C ATOM 159 O ASN A 691 3.654 -24.913 21.690 1.00 64.49 O ATOM 160 CB ASN A 691 3.053 -23.563 24.177 1.00 59.06 C ATOM 161 CG ASN A 691 2.404 -23.680 25.536 1.00 58.66 C ATOM 162 OD1 ASN A 691 1.732 -24.671 25.833 1.00 58.11 O ATOM 163 ND2 ASN A 691 2.612 -22.677 26.378 1.00 56.91 N ATOM 0 H ASN A 691 5.337 -23.318 25.050 1.00 57.03 H new ATOM 0 HA ASN A 691 3.946 -25.431 24.309 1.00 60.38 H new ATOM 0 HB2 ASN A 691 3.383 -22.659 24.056 1.00 59.06 H new ATOM 0 HB3 ASN A 691 2.387 -23.717 23.489 1.00 59.06 H new ATOM 0 HD21 ASN A 691 2.272 -22.701 27.168 1.00 56.91 H new ATOM 0 HD22 ASN A 691 3.087 -22.002 26.134 1.00 56.91 H new ATOM 164 N ASN A 692 5.813 -24.525 22.178 1.00 65.38 N ATOM 165 CA ASN A 692 6.231 -24.633 20.791 1.00 68.52 C ATOM 166 C ASN A 692 6.861 -25.998 20.558 1.00 69.33 C ATOM 167 O ASN A 692 7.141 -26.381 19.423 1.00 69.86 O ATOM 168 CB ASN A 692 7.218 -23.514 20.445 1.00 68.96 C ATOM 169 CG ASN A 692 6.609 -22.130 20.616 1.00 69.85 C ATOM 170 OD1 ASN A 692 6.384 -21.667 21.738 1.00 70.57 O ATOM 171 ND2 ASN A 692 6.328 -21.468 19.502 1.00 69.43 N ATOM 0 H ASN A 692 6.447 -24.359 22.735 1.00 65.38 H new ATOM 0 HA ASN A 692 5.457 -24.540 20.213 1.00 68.52 H new ATOM 0 HB2 ASN A 692 8.002 -23.592 21.011 1.00 68.96 H new ATOM 0 HB3 ASN A 692 7.517 -23.622 19.529 1.00 68.96 H new ATOM 0 HD21 ASN A 692 5.975 -20.685 19.545 1.00 69.43 H new ATOM 0 HD22 ASN A 692 6.499 -21.822 18.737 1.00 69.43 H new ATOM 172 N GLN A 693 7.066 -26.731 21.649 1.00 69.80 N ATOM 173 CA GLN A 693 7.649 -28.065 21.591 1.00 69.54 C ATOM 174 C GLN A 693 6.513 -29.095 21.590 1.00 68.38 C ATOM 175 O GLN A 693 5.471 -28.885 22.215 1.00 67.07 O ATOM 176 CB GLN A 693 8.553 -28.291 22.804 1.00 71.40 C ATOM 177 CG GLN A 693 9.873 -28.974 22.487 1.00 74.04 C ATOM 178 CD GLN A 693 10.709 -28.185 21.496 1.00 75.66 C ATOM 179 OE1 GLN A 693 10.422 -28.165 20.297 1.00 77.13 O ATOM 180 NE2 GLN A 693 11.745 -27.519 21.997 1.00 75.86 N ATOM 0 H GLN A 693 6.870 -26.467 22.444 1.00 69.80 H new ATOM 0 HA GLN A 693 8.181 -28.158 20.785 1.00 69.54 H new ATOM 0 HB2 GLN A 693 8.737 -27.434 23.220 1.00 71.40 H new ATOM 0 HB3 GLN A 693 8.073 -28.826 23.456 1.00 71.40 H new ATOM 0 HG2 GLN A 693 10.377 -29.095 23.307 1.00 74.04 H new ATOM 0 HG3 GLN A 693 9.699 -29.858 22.128 1.00 74.04 H new ATOM 0 HE21 GLN A 693 11.914 -27.557 22.839 1.00 75.86 H new ATOM 0 HE22 GLN A 693 12.246 -27.050 21.479 1.00 75.86 H new ATOM 181 N PRO A 694 6.699 -30.218 20.876 1.00 66.95 N ATOM 182 CA PRO A 694 5.682 -31.272 20.800 1.00 63.74 C ATOM 183 C PRO A 694 5.323 -31.836 22.167 1.00 60.75 C ATOM 184 O PRO A 694 6.200 -32.060 23.007 1.00 61.76 O ATOM 185 CB PRO A 694 6.338 -32.317 19.902 1.00 65.38 C ATOM 186 CG PRO A 694 7.193 -31.488 18.996 1.00 66.58 C ATOM 187 CD PRO A 694 7.824 -30.520 19.973 1.00 67.32 C ATOM 0 HA PRO A 694 4.835 -30.950 20.455 1.00 63.74 H new ATOM 0 HB2 PRO A 694 6.865 -32.951 20.413 1.00 65.38 H new ATOM 0 HB3 PRO A 694 5.680 -32.829 19.406 1.00 65.38 H new ATOM 0 HG2 PRO A 694 7.857 -32.022 18.532 1.00 66.58 H new ATOM 0 HG3 PRO A 694 6.670 -31.032 18.318 1.00 66.58 H new ATOM 0 HD2 PRO A 694 8.572 -30.917 20.446 1.00 67.32 H new ATOM 0 HD3 PRO A 694 8.158 -29.724 19.531 1.00 67.32 H new ATOM 188 N ASP A 695 4.033 -32.064 22.387 1.00 55.88 N ATOM 189 CA ASP A 695 3.568 -32.612 23.652 1.00 51.84 C ATOM 190 C ASP A 695 4.140 -34.005 23.860 1.00 50.54 C ATOM 191 O ASP A 695 4.164 -34.824 22.940 1.00 51.61 O ATOM 192 CB ASP A 695 2.041 -32.707 23.684 1.00 50.06 C ATOM 193 CG ASP A 695 1.368 -31.358 23.616 1.00 47.86 C ATOM 194 OD1 ASP A 695 1.774 -30.450 24.368 1.00 49.27 O ATOM 195 OD2 ASP A 695 0.422 -31.209 22.821 1.00 48.56 O ATOM 0 H ASP A 695 3.411 -31.907 21.814 1.00 55.88 H new ATOM 0 HA ASP A 695 3.867 -32.016 24.357 1.00 51.84 H new ATOM 0 HB2 ASP A 695 1.740 -33.252 22.940 1.00 50.06 H new ATOM 0 HB3 ASP A 695 1.767 -33.160 24.497 1.00 50.06 H new ATOM 196 N SER A 696 4.606 -34.264 25.075 1.00 47.21 N ATOM 197 CA SER A 696 5.153 -35.560 25.428 1.00 44.31 C ATOM 198 C SER A 696 4.917 -35.718 26.910 1.00 42.69 C ATOM 199 O SER A 696 4.825 -34.725 27.633 1.00 42.45 O ATOM 200 CB SER A 696 6.655 -35.631 25.131 1.00 44.43 C ATOM 201 OG SER A 696 7.410 -34.880 26.064 1.00 45.89 O ATOM 0 H SER A 696 4.613 -33.691 25.716 1.00 47.21 H new ATOM 0 HA SER A 696 4.730 -36.264 24.912 1.00 44.31 H new ATOM 0 HB2 SER A 696 6.945 -36.556 25.150 1.00 44.43 H new ATOM 0 HB3 SER A 696 6.824 -35.299 24.235 1.00 44.43 H new ATOM 0 HG SER A 696 8.227 -34.939 25.876 1.00 45.89 H new ATOM 202 N PHE A 697 4.811 -36.964 27.355 1.00 41.57 N ATOM 203 CA PHE A 697 4.583 -37.268 28.757 1.00 42.52 C ATOM 204 C PHE A 697 5.604 -36.609 29.675 1.00 42.85 C ATOM 205 O PHE A 697 5.244 -36.024 30.696 1.00 42.69 O ATOM 206 CB PHE A 697 4.629 -38.779 28.969 1.00 42.81 C ATOM 207 CG PHE A 697 4.472 -39.195 30.401 1.00 44.35 C ATOM 208 CD1 PHE A 697 3.281 -38.965 31.080 1.00 44.87 C ATOM 209 CD2 PHE A 697 5.510 -39.830 31.067 1.00 45.87 C ATOM 210 CE1 PHE A 697 3.125 -39.364 32.400 1.00 44.97 C ATOM 211 CE2 PHE A 697 5.365 -40.233 32.389 1.00 46.94 C ATOM 212 CZ PHE A 697 4.170 -40.000 33.056 1.00 46.65 C ATOM 0 H PHE A 697 4.870 -37.657 26.850 1.00 41.57 H new ATOM 0 HA PHE A 697 3.709 -36.914 28.985 1.00 42.52 H new ATOM 0 HB2 PHE A 697 3.927 -39.192 28.442 1.00 42.81 H new ATOM 0 HB3 PHE A 697 5.473 -39.119 28.633 1.00 42.81 H new ATOM 0 HD1 PHE A 697 2.579 -38.538 30.644 1.00 44.87 H new ATOM 0 HD2 PHE A 697 6.312 -39.988 30.624 1.00 45.87 H new ATOM 0 HE1 PHE A 697 2.323 -39.206 32.844 1.00 44.97 H new ATOM 0 HE2 PHE A 697 6.067 -40.658 32.826 1.00 46.94 H new ATOM 0 HZ PHE A 697 4.070 -40.269 33.940 1.00 46.65 H new ATOM 213 N ALA A 698 6.877 -36.710 29.307 1.00 42.27 N ATOM 214 CA ALA A 698 7.949 -36.146 30.115 1.00 42.41 C ATOM 215 C ALA A 698 7.873 -34.630 30.167 1.00 41.31 C ATOM 216 O ALA A 698 8.024 -34.022 31.231 1.00 41.34 O ATOM 217 CB ALA A 698 9.310 -36.591 29.566 1.00 41.82 C ATOM 0 H ALA A 698 7.141 -37.103 28.589 1.00 42.27 H new ATOM 0 HA ALA A 698 7.845 -36.477 31.021 1.00 42.41 H new ATOM 0 HB1 ALA A 698 10.018 -36.211 30.109 1.00 41.82 H new ATOM 0 HB2 ALA A 698 9.368 -37.559 29.590 1.00 41.82 H new ATOM 0 HB3 ALA A 698 9.406 -36.285 28.651 1.00 41.82 H new ATOM 218 N ALA A 699 7.636 -34.017 29.017 1.00 40.68 N ATOM 219 CA ALA A 699 7.545 -32.568 28.951 1.00 40.43 C ATOM 220 C ALA A 699 6.353 -32.017 29.740 1.00 39.37 C ATOM 221 O ALA A 699 6.499 -31.077 30.516 1.00 38.04 O ATOM 222 CB ALA A 699 7.463 -32.125 27.495 1.00 41.45 C ATOM 0 H ALA A 699 7.525 -34.420 28.266 1.00 40.68 H new ATOM 0 HA ALA A 699 8.346 -32.207 29.362 1.00 40.43 H new ATOM 0 HB1 ALA A 699 7.402 -31.158 27.454 1.00 41.45 H new ATOM 0 HB2 ALA A 699 8.257 -32.419 27.022 1.00 41.45 H new ATOM 0 HB3 ALA A 699 6.677 -32.516 27.081 1.00 41.45 H new ATOM 223 N LEU A 700 5.177 -32.604 29.542 1.00 39.93 N ATOM 224 CA LEU A 700 3.973 -32.147 30.232 1.00 38.59 C ATOM 225 C LEU A 700 4.072 -32.313 31.747 1.00 37.42 C ATOM 226 O LEU A 700 3.801 -31.376 32.502 1.00 37.15 O ATOM 227 CB LEU A 700 2.744 -32.901 29.707 1.00 38.12 C ATOM 228 CG LEU A 700 2.343 -32.646 28.249 1.00 37.95 C ATOM 229 CD1 LEU A 700 1.205 -33.567 27.864 1.00 34.53 C ATOM 230 CD2 LEU A 700 1.937 -31.192 28.064 1.00 37.17 C ATOM 0 H LEU A 700 5.054 -33.270 29.012 1.00 39.93 H new ATOM 0 HA LEU A 700 3.882 -31.199 30.048 1.00 38.59 H new ATOM 0 HB2 LEU A 700 2.905 -33.852 29.814 1.00 38.12 H new ATOM 0 HB3 LEU A 700 1.988 -32.676 30.272 1.00 38.12 H new ATOM 0 HG LEU A 700 3.102 -32.828 27.673 1.00 37.95 H new ATOM 0 HD11 LEU A 700 0.954 -33.403 26.942 1.00 34.53 H new ATOM 0 HD12 LEU A 700 1.488 -34.490 27.963 1.00 34.53 H new ATOM 0 HD13 LEU A 700 0.443 -33.399 28.441 1.00 34.53 H new ATOM 0 HD21 LEU A 700 1.685 -31.041 27.139 1.00 37.17 H new ATOM 0 HD22 LEU A 700 1.184 -30.990 28.641 1.00 37.17 H new ATOM 0 HD23 LEU A 700 2.683 -30.616 28.294 1.00 37.17 H new ATOM 231 N LEU A 701 4.461 -33.505 32.189 1.00 38.27 N ATOM 232 CA LEU A 701 4.588 -33.777 33.616 1.00 37.94 C ATOM 233 C LEU A 701 5.703 -32.969 34.269 1.00 38.75 C ATOM 234 O LEU A 701 5.564 -32.550 35.423 1.00 39.96 O ATOM 235 CB LEU A 701 4.795 -35.277 33.861 1.00 36.30 C ATOM 236 CG LEU A 701 3.494 -36.087 33.944 1.00 38.14 C ATOM 237 CD1 LEU A 701 2.732 -35.699 35.213 1.00 37.35 C ATOM 238 CD2 LEU A 701 2.631 -35.833 32.701 1.00 34.54 C ATOM 0 H LEU A 701 4.656 -34.169 31.679 1.00 38.27 H new ATOM 0 HA LEU A 701 3.757 -33.499 34.032 1.00 37.94 H new ATOM 0 HB2 LEU A 701 5.344 -35.638 33.147 1.00 36.30 H new ATOM 0 HB3 LEU A 701 5.290 -35.394 34.687 1.00 36.30 H new ATOM 0 HG LEU A 701 3.707 -37.033 33.979 1.00 38.14 H new ATOM 0 HD11 LEU A 701 1.910 -36.211 35.266 1.00 37.35 H new ATOM 0 HD12 LEU A 701 3.280 -35.888 35.990 1.00 37.35 H new ATOM 0 HD13 LEU A 701 2.522 -34.752 35.188 1.00 37.35 H new ATOM 0 HD21 LEU A 701 1.812 -36.349 32.764 1.00 34.54 H new ATOM 0 HD22 LEU A 701 2.414 -34.889 32.645 1.00 34.54 H new ATOM 0 HD23 LEU A 701 3.120 -36.100 31.907 1.00 34.54 H new ATOM 239 N SER A 702 6.801 -32.748 33.548 1.00 37.36 N ATOM 240 CA SER A 702 7.902 -31.956 34.096 1.00 39.55 C ATOM 241 C SER A 702 7.432 -30.515 34.273 1.00 38.55 C ATOM 242 O SER A 702 7.828 -29.832 35.215 1.00 38.82 O ATOM 243 CB SER A 702 9.130 -32.001 33.175 1.00 40.00 C ATOM 244 OG SER A 702 9.715 -33.300 33.168 1.00 41.36 O ATOM 0 H SER A 702 6.928 -33.043 32.750 1.00 37.36 H new ATOM 0 HA SER A 702 8.163 -32.329 34.953 1.00 39.55 H new ATOM 0 HB2 SER A 702 8.872 -31.754 32.273 1.00 40.00 H new ATOM 0 HB3 SER A 702 9.785 -31.349 33.471 1.00 40.00 H new ATOM 0 HG SER A 702 9.322 -33.781 32.603 1.00 41.36 H new ATOM 245 N SER A 703 6.572 -30.055 33.372 1.00 39.60 N ATOM 246 CA SER A 703 6.047 -28.702 33.473 1.00 37.22 C ATOM 247 C SER A 703 5.029 -28.615 34.604 1.00 36.89 C ATOM 248 O SER A 703 4.966 -27.611 35.304 1.00 39.61 O ATOM 249 CB SER A 703 5.411 -28.279 32.156 1.00 38.06 C ATOM 250 OG SER A 703 6.403 -28.077 31.168 1.00 42.23 O ATOM 0 H SER A 703 6.282 -30.507 32.700 1.00 39.60 H new ATOM 0 HA SER A 703 6.781 -28.099 33.668 1.00 37.22 H new ATOM 0 HB2 SER A 703 4.786 -28.959 31.860 1.00 38.06 H new ATOM 0 HB3 SER A 703 4.903 -27.463 32.284 1.00 38.06 H new ATOM 0 HG SER A 703 6.618 -28.816 30.831 1.00 42.23 H new ATOM 251 N LEU A 704 4.233 -29.664 34.793 1.00 35.06 N ATOM 252 CA LEU A 704 3.252 -29.656 35.878 1.00 32.82 C ATOM 253 C LEU A 704 3.987 -29.675 37.215 1.00 33.81 C ATOM 254 O LEU A 704 3.607 -28.968 38.145 1.00 35.46 O ATOM 255 CB LEU A 704 2.309 -30.860 35.780 1.00 30.46 C ATOM 256 CG LEU A 704 1.156 -30.763 34.767 1.00 31.09 C ATOM 257 CD1 LEU A 704 0.453 -32.110 34.650 1.00 30.12 C ATOM 258 CD2 LEU A 704 0.163 -29.681 35.219 1.00 29.92 C ATOM 0 H LEU A 704 4.242 -30.379 34.315 1.00 35.06 H new ATOM 0 HA LEU A 704 2.714 -28.852 35.807 1.00 32.82 H new ATOM 0 HB2 LEU A 704 2.840 -31.641 35.559 1.00 30.46 H new ATOM 0 HB3 LEU A 704 1.927 -31.016 36.658 1.00 30.46 H new ATOM 0 HG LEU A 704 1.511 -30.522 33.897 1.00 31.09 H new ATOM 0 HD11 LEU A 704 -0.273 -32.042 34.010 1.00 30.12 H new ATOM 0 HD12 LEU A 704 1.086 -32.781 34.350 1.00 30.12 H new ATOM 0 HD13 LEU A 704 0.097 -32.366 35.515 1.00 30.12 H new ATOM 0 HD21 LEU A 704 -0.564 -29.621 34.579 1.00 29.92 H new ATOM 0 HD22 LEU A 704 -0.193 -29.912 36.091 1.00 29.92 H new ATOM 0 HD23 LEU A 704 0.618 -28.826 35.272 1.00 29.92 H new ATOM 259 N ASN A 705 5.042 -30.481 37.315 1.00 33.60 N ATOM 260 CA ASN A 705 5.807 -30.546 38.557 1.00 34.55 C ATOM 261 C ASN A 705 6.421 -29.182 38.885 1.00 34.09 C ATOM 262 O ASN A 705 6.369 -28.739 40.029 1.00 31.81 O ATOM 263 CB ASN A 705 6.904 -31.613 38.467 1.00 35.49 C ATOM 264 CG ASN A 705 6.360 -33.020 38.636 1.00 36.89 C ATOM 265 OD1 ASN A 705 5.358 -33.226 39.318 1.00 37.13 O ATOM 266 ND2 ASN A 705 7.027 -33.996 38.033 1.00 36.37 N ATOM 0 H ASN A 705 5.328 -30.991 36.685 1.00 33.60 H new ATOM 0 HA ASN A 705 5.198 -30.792 39.271 1.00 34.55 H new ATOM 0 HB2 ASN A 705 7.350 -31.543 37.609 1.00 35.49 H new ATOM 0 HB3 ASN A 705 7.573 -31.444 39.149 1.00 35.49 H new ATOM 0 HD21 ASN A 705 6.762 -34.810 38.112 1.00 36.37 H new ATOM 0 HD22 ASN A 705 7.724 -33.814 37.564 1.00 36.37 H new ATOM 267 N GLU A 706 6.996 -28.527 37.877 1.00 33.29 N ATOM 268 CA GLU A 706 7.592 -27.205 38.058 1.00 34.77 C ATOM 269 C GLU A 706 6.507 -26.229 38.512 1.00 35.87 C ATOM 270 O GLU A 706 6.726 -25.412 39.403 1.00 37.68 O ATOM 271 CB GLU A 706 8.201 -26.722 36.743 1.00 34.60 C ATOM 272 CG GLU A 706 8.753 -25.299 36.768 1.00 37.48 C ATOM 273 CD GLU A 706 9.819 -25.110 37.833 1.00 39.23 C ATOM 274 OE1 GLU A 706 10.536 -26.088 38.116 1.00 38.70 O ATOM 275 OE2 GLU A 706 9.944 -23.986 38.375 1.00 40.96 O ATOM 0 H GLU A 706 7.051 -28.834 37.076 1.00 33.29 H new ATOM 0 HA GLU A 706 8.292 -27.254 38.728 1.00 34.77 H new ATOM 0 HB2 GLU A 706 8.917 -27.327 36.493 1.00 34.60 H new ATOM 0 HB3 GLU A 706 7.525 -26.780 36.049 1.00 34.60 H new ATOM 0 HG2 GLU A 706 9.126 -25.084 35.899 1.00 37.48 H new ATOM 0 HG3 GLU A 706 8.027 -24.676 36.927 1.00 37.48 H new ATOM 276 N LEU A 707 5.333 -26.317 37.894 1.00 35.47 N ATOM 277 CA LEU A 707 4.220 -25.452 38.262 1.00 34.52 C ATOM 278 C LEU A 707 3.837 -25.702 39.721 1.00 35.00 C ATOM 279 O LEU A 707 3.440 -24.781 40.435 1.00 36.67 O ATOM 280 CB LEU A 707 3.009 -25.725 37.364 1.00 35.05 C ATOM 281 CG LEU A 707 1.776 -24.890 37.729 1.00 35.78 C ATOM 282 CD1 LEU A 707 2.137 -23.394 37.695 1.00 34.47 C ATOM 283 CD2 LEU A 707 0.635 -25.206 36.770 1.00 32.13 C ATOM 0 H LEU A 707 5.161 -26.871 37.259 1.00 35.47 H new ATOM 0 HA LEU A 707 4.493 -24.528 38.148 1.00 34.52 H new ATOM 0 HB2 LEU A 707 3.252 -25.545 36.442 1.00 35.05 H new ATOM 0 HB3 LEU A 707 2.781 -26.666 37.418 1.00 35.05 H new ATOM 0 HG LEU A 707 1.483 -25.112 38.627 1.00 35.78 H new ATOM 0 HD11 LEU A 707 1.356 -22.867 37.926 1.00 34.47 H new ATOM 0 HD12 LEU A 707 2.846 -23.217 38.333 1.00 34.47 H new ATOM 0 HD13 LEU A 707 2.437 -23.153 36.804 1.00 34.47 H new ATOM 0 HD21 LEU A 707 -0.142 -24.675 37.005 1.00 32.13 H new ATOM 0 HD22 LEU A 707 0.907 -24.996 35.863 1.00 32.13 H new ATOM 0 HD23 LEU A 707 0.413 -26.148 36.830 1.00 32.13 H new ATOM 284 N GLY A 708 3.953 -26.950 40.163 1.00 34.18 N ATOM 285 CA GLY A 708 3.626 -27.263 41.541 1.00 35.58 C ATOM 286 C GLY A 708 4.617 -26.604 42.482 1.00 37.44 C ATOM 287 O GLY A 708 4.248 -26.090 43.532 1.00 36.49 O ATOM 0 H GLY A 708 4.215 -27.617 39.688 1.00 34.18 H new ATOM 0 HA2 GLY A 708 2.727 -26.959 41.743 1.00 35.58 H new ATOM 0 HA3 GLY A 708 3.637 -28.224 41.672 1.00 35.58 H new ATOM 288 N GLU A 709 5.886 -26.616 42.094 1.00 38.93 N ATOM 289 CA GLU A 709 6.946 -26.016 42.895 1.00 41.13 C ATOM 290 C GLU A 709 6.690 -24.513 43.020 1.00 40.28 C ATOM 291 O GLU A 709 6.794 -23.942 44.104 1.00 40.77 O ATOM 292 CB GLU A 709 8.303 -26.258 42.223 1.00 43.18 C ATOM 293 CG GLU A 709 9.508 -25.878 43.065 1.00 46.29 C ATOM 294 CD GLU A 709 9.848 -26.923 44.111 1.00 49.45 C ATOM 295 OE1 GLU A 709 10.876 -26.753 44.805 1.00 51.31 O ATOM 296 OE2 GLU A 709 9.094 -27.913 44.240 1.00 48.91 O ATOM 0 H GLU A 709 6.157 -26.972 41.360 1.00 38.93 H new ATOM 0 HA GLU A 709 6.955 -26.418 43.778 1.00 41.13 H new ATOM 0 HB2 GLU A 709 8.371 -27.197 41.989 1.00 43.18 H new ATOM 0 HB3 GLU A 709 8.333 -25.756 41.393 1.00 43.18 H new ATOM 0 HG2 GLU A 709 10.274 -25.746 42.485 1.00 46.29 H new ATOM 0 HG3 GLU A 709 9.336 -25.031 43.505 1.00 46.29 H new ATOM 297 N ARG A 710 6.339 -23.880 41.907 1.00 39.34 N ATOM 298 CA ARG A 710 6.077 -22.444 41.901 1.00 37.93 C ATOM 299 C ARG A 710 4.835 -22.064 42.702 1.00 37.17 C ATOM 300 O ARG A 710 4.854 -21.095 43.473 1.00 33.66 O ATOM 301 CB ARG A 710 5.938 -21.949 40.467 1.00 39.02 C ATOM 302 CG ARG A 710 7.200 -22.127 39.642 1.00 41.18 C ATOM 303 CD ARG A 710 7.024 -21.540 38.255 1.00 42.27 C ATOM 304 NE ARG A 710 8.224 -21.708 37.445 1.00 42.73 N ATOM 305 CZ ARG A 710 8.398 -21.152 36.251 1.00 42.62 C ATOM 306 NH1 ARG A 710 7.446 -20.391 35.728 1.00 42.04 N ATOM 307 NH2 ARG A 710 9.526 -21.351 35.584 1.00 42.90 N ATOM 0 H ARG A 710 6.247 -24.263 41.143 1.00 39.34 H new ATOM 0 HA ARG A 710 6.834 -22.016 42.331 1.00 37.93 H new ATOM 0 HB2 ARG A 710 5.209 -22.424 40.037 1.00 39.02 H new ATOM 0 HB3 ARG A 710 5.697 -21.009 40.478 1.00 39.02 H new ATOM 0 HG2 ARG A 710 7.946 -21.696 40.088 1.00 41.18 H new ATOM 0 HG3 ARG A 710 7.416 -23.070 39.574 1.00 41.18 H new ATOM 0 HD2 ARG A 710 6.273 -21.968 37.815 1.00 42.27 H new ATOM 0 HD3 ARG A 710 6.811 -20.596 38.327 1.00 42.27 H new ATOM 0 HE ARG A 710 8.858 -22.197 37.759 1.00 42.73 H new ATOM 0 HH11 ARG A 710 6.716 -20.257 36.162 1.00 42.04 H new ATOM 0 HH12 ARG A 710 7.559 -20.031 34.955 1.00 42.04 H new ATOM 0 HH21 ARG A 710 10.146 -21.840 35.924 1.00 42.90 H new ATOM 0 HH22 ARG A 710 9.638 -20.991 34.811 1.00 42.90 H new ATOM 308 N GLN A 711 3.754 -22.821 42.521 1.00 35.01 N ATOM 309 CA GLN A 711 2.523 -22.547 43.251 1.00 33.63 C ATOM 310 C GLN A 711 2.677 -22.844 44.732 1.00 32.74 C ATOM 311 O GLN A 711 2.040 -22.210 45.570 1.00 34.73 O ATOM 312 CB GLN A 711 1.360 -23.365 42.680 1.00 35.22 C ATOM 313 CG AGLN A 711 1.029 -23.014 41.241 0.50 32.20 C ATOM 314 CG BGLN A 711 0.651 -22.737 41.486 0.50 35.78 C ATOM 315 CD AGLN A 711 -0.383 -23.391 40.854 0.50 31.13 C ATOM 316 CD BGLN A 711 -0.251 -21.578 41.879 0.50 37.09 C ATOM 317 OE1AGLN A 711 -1.161 -23.846 41.827 0.50 31.01 O flip ATOM 318 OE1BGLN A 711 -0.354 -21.321 43.178 0.50 37.95 O flip ATOM 319 NE2AGLN A 711 -0.772 -23.267 39.695 0.50 29.77 N flip ATOM 320 NE2BGLN A 711 -0.854 -20.927 41.024 0.50 38.15 N flip ATOM 0 H GLN A 711 3.714 -23.492 41.984 1.00 35.01 H new ATOM 0 HA GLN A 711 2.330 -21.602 43.146 1.00 33.63 H new ATOM 0 HB2AGLN A 711 1.579 -24.308 42.734 0.50 35.22 H new ATOM 0 HB2BGLN A 711 1.695 -24.237 42.418 0.50 35.22 H new ATOM 0 HB3AGLN A 711 0.573 -23.225 43.230 0.50 35.22 H new ATOM 0 HB3BGLN A 711 0.709 -23.511 43.384 0.50 35.22 H new ATOM 0 HG2AGLN A 711 1.152 -22.061 41.109 0.50 35.78 H new ATOM 0 HG2BGLN A 711 1.313 -22.425 40.850 0.50 35.78 H new ATOM 0 HG3AGLN A 711 1.653 -23.465 40.651 0.50 35.78 H new ATOM 0 HG3BGLN A 711 0.122 -23.415 41.036 0.50 35.78 H new ATOM 0 HE21AGLN A 711 -0.237 -22.968 39.092 0.50 38.15 H new ATOM 0 HE21BGLN A 711 -0.763 -21.122 40.191 0.50 38.15 H new ATOM 0 HE22AGLN A 711 -1.579 -23.479 39.487 0.50 38.15 H new ATOM 0 HE22BGLN A 711 -1.366 -20.277 41.260 0.50 38.15 H new ATOM 321 N LEU A 712 3.519 -23.812 45.065 1.00 33.23 N ATOM 322 CA LEU A 712 3.724 -24.153 46.466 1.00 35.40 C ATOM 323 C LEU A 712 4.247 -22.923 47.212 1.00 33.93 C ATOM 324 O LEU A 712 3.818 -22.628 48.329 1.00 33.01 O ATOM 325 CB LEU A 712 4.705 -25.322 46.581 1.00 38.50 C ATOM 326 CG LEU A 712 4.744 -26.104 47.896 1.00 41.17 C ATOM 327 CD1 LEU A 712 3.340 -26.485 48.340 1.00 40.29 C ATOM 328 CD2 LEU A 712 5.588 -27.351 47.701 1.00 42.53 C ATOM 0 H LEU A 712 3.976 -24.278 44.505 1.00 33.23 H new ATOM 0 HA LEU A 712 2.883 -24.426 46.865 1.00 35.40 H new ATOM 0 HB2 LEU A 712 4.504 -25.949 45.869 1.00 38.50 H new ATOM 0 HB3 LEU A 712 5.597 -24.979 46.413 1.00 38.50 H new ATOM 0 HG LEU A 712 5.134 -25.547 48.587 1.00 41.17 H new ATOM 0 HD11 LEU A 712 3.387 -26.979 49.174 1.00 40.29 H new ATOM 0 HD12 LEU A 712 2.812 -25.682 48.470 1.00 40.29 H new ATOM 0 HD13 LEU A 712 2.924 -27.038 47.660 1.00 40.29 H new ATOM 0 HD21 LEU A 712 5.619 -27.854 48.530 1.00 42.53 H new ATOM 0 HD22 LEU A 712 5.197 -27.901 47.004 1.00 42.53 H new ATOM 0 HD23 LEU A 712 6.488 -27.096 47.444 1.00 42.53 H new ATOM 329 N VAL A 713 5.170 -22.202 46.580 1.00 35.38 N ATOM 330 CA VAL A 713 5.733 -20.982 47.162 1.00 34.25 C ATOM 331 C VAL A 713 4.606 -19.995 47.446 1.00 33.42 C ATOM 332 O VAL A 713 4.568 -19.370 48.503 1.00 33.95 O ATOM 333 CB VAL A 713 6.728 -20.302 46.194 1.00 34.52 C ATOM 334 CG1 VAL A 713 7.219 -18.988 46.787 1.00 36.04 C ATOM 335 CG2 VAL A 713 7.893 -21.226 45.914 1.00 33.64 C ATOM 0 H VAL A 713 5.487 -22.403 45.806 1.00 35.38 H new ATOM 0 HA VAL A 713 6.199 -21.229 47.976 1.00 34.25 H new ATOM 0 HB VAL A 713 6.276 -20.113 45.357 1.00 34.52 H new ATOM 0 HG11 VAL A 713 7.842 -18.569 46.173 1.00 36.04 H new ATOM 0 HG12 VAL A 713 6.464 -18.397 46.934 1.00 36.04 H new ATOM 0 HG13 VAL A 713 7.664 -19.160 47.632 1.00 36.04 H new ATOM 0 HG21 VAL A 713 8.512 -20.792 45.306 1.00 33.64 H new ATOM 0 HG22 VAL A 713 8.348 -21.434 46.745 1.00 33.64 H new ATOM 0 HG23 VAL A 713 7.567 -22.046 45.511 1.00 33.64 H new ATOM 336 N HIS A 714 3.684 -19.847 46.500 1.00 33.20 N ATOM 337 CA HIS A 714 2.575 -18.922 46.705 1.00 34.19 C ATOM 338 C HIS A 714 1.612 -19.415 47.778 1.00 32.39 C ATOM 339 O HIS A 714 1.074 -18.623 48.531 1.00 33.66 O ATOM 340 CB HIS A 714 1.814 -18.676 45.399 1.00 37.35 C ATOM 341 CG HIS A 714 2.560 -17.828 44.412 1.00 42.42 C ATOM 342 ND1 HIS A 714 3.553 -18.329 43.595 1.00 45.42 N ATOM 343 CD2 HIS A 714 2.466 -16.509 44.122 1.00 42.84 C ATOM 344 CE1 HIS A 714 4.035 -17.354 42.843 1.00 44.59 C ATOM 345 NE2 HIS A 714 3.393 -16.240 43.143 1.00 43.22 N ATOM 0 H HIS A 714 3.681 -20.263 45.747 1.00 33.20 H new ATOM 0 HA HIS A 714 2.962 -18.086 47.008 1.00 34.19 H new ATOM 0 HB2 HIS A 714 1.609 -19.531 44.988 1.00 37.35 H new ATOM 0 HB3 HIS A 714 0.967 -18.250 45.604 1.00 37.35 H new ATOM 0 HD1 HIS A 714 3.817 -19.147 43.578 1.00 45.42 H new ATOM 0 HD2 HIS A 714 1.883 -15.899 44.512 1.00 42.84 H new ATOM 0 HE1 HIS A 714 4.711 -17.439 42.210 1.00 44.59 H new ATOM 346 N VAL A 715 1.388 -20.722 47.846 1.00 32.71 N ATOM 347 CA VAL A 715 0.484 -21.270 48.852 1.00 32.73 C ATOM 348 C VAL A 715 1.070 -21.039 50.245 1.00 34.96 C ATOM 349 O VAL A 715 0.336 -20.759 51.203 1.00 35.14 O ATOM 350 CB VAL A 715 0.245 -22.787 48.623 1.00 33.05 C ATOM 351 CG1 VAL A 715 -0.515 -23.394 49.805 1.00 33.62 C ATOM 352 CG2 VAL A 715 -0.533 -22.993 47.339 1.00 29.63 C ATOM 0 H VAL A 715 1.745 -21.305 47.324 1.00 32.71 H new ATOM 0 HA VAL A 715 -0.370 -20.817 48.777 1.00 32.73 H new ATOM 0 HB VAL A 715 1.103 -23.233 48.550 1.00 33.05 H new ATOM 0 HG11 VAL A 715 -0.656 -24.341 49.647 1.00 33.62 H new ATOM 0 HG12 VAL A 715 0.002 -23.276 50.617 1.00 33.62 H new ATOM 0 HG13 VAL A 715 -1.373 -22.951 49.900 1.00 33.62 H new ATOM 0 HG21 VAL A 715 -0.681 -23.941 47.199 1.00 29.63 H new ATOM 0 HG22 VAL A 715 -1.388 -22.539 47.402 1.00 29.63 H new ATOM 0 HG23 VAL A 715 -0.029 -22.631 46.593 1.00 29.63 H new ATOM 353 N VAL A 716 2.392 -21.158 50.357 1.00 35.74 N ATOM 354 CA VAL A 716 3.068 -20.938 51.632 1.00 36.29 C ATOM 355 C VAL A 716 2.870 -19.490 52.099 1.00 38.32 C ATOM 356 O VAL A 716 2.526 -19.245 53.253 1.00 38.85 O ATOM 357 CB VAL A 716 4.594 -21.218 51.525 1.00 37.38 C ATOM 358 CG1 VAL A 716 5.315 -20.644 52.735 1.00 38.73 C ATOM 359 CG2 VAL A 716 4.850 -22.715 51.443 1.00 37.51 C ATOM 0 H VAL A 716 2.915 -21.365 49.706 1.00 35.74 H new ATOM 0 HA VAL A 716 2.677 -21.553 52.272 1.00 36.29 H new ATOM 0 HB VAL A 716 4.931 -20.794 50.720 1.00 37.38 H new ATOM 0 HG11 VAL A 716 6.265 -20.823 52.660 1.00 38.73 H new ATOM 0 HG12 VAL A 716 5.169 -19.686 52.775 1.00 38.73 H new ATOM 0 HG13 VAL A 716 4.971 -21.057 53.543 1.00 38.73 H new ATOM 0 HG21 VAL A 716 5.804 -22.877 51.377 1.00 37.51 H new ATOM 0 HG22 VAL A 716 4.504 -23.147 52.240 1.00 37.51 H new ATOM 0 HG23 VAL A 716 4.406 -23.077 50.660 1.00 37.51 H new ATOM 360 N LYS A 717 3.088 -18.533 51.199 1.00 39.04 N ATOM 361 CA LYS A 717 2.934 -17.123 51.552 1.00 39.90 C ATOM 362 C LYS A 717 1.473 -16.763 51.761 1.00 36.79 C ATOM 363 O LYS A 717 1.156 -15.913 52.578 1.00 36.72 O ATOM 364 CB LYS A 717 3.554 -16.225 50.468 1.00 41.12 C ATOM 365 CG LYS A 717 5.045 -16.472 50.267 1.00 46.15 C ATOM 366 CD LYS A 717 5.692 -15.446 49.348 1.00 50.45 C ATOM 367 CE LYS A 717 5.084 -15.465 47.955 1.00 52.46 C ATOM 368 NZ LYS A 717 5.697 -14.422 47.086 1.00 55.19 N ATOM 0 H LYS A 717 3.324 -18.677 50.385 1.00 39.04 H new ATOM 0 HA LYS A 717 3.403 -16.974 52.388 1.00 39.90 H new ATOM 0 HB2 LYS A 717 3.091 -16.374 49.629 1.00 41.12 H new ATOM 0 HB3 LYS A 717 3.415 -15.295 50.708 1.00 41.12 H new ATOM 0 HG2 LYS A 717 5.491 -16.456 51.128 1.00 46.15 H new ATOM 0 HG3 LYS A 717 5.175 -17.359 49.897 1.00 46.15 H new ATOM 0 HD2 LYS A 717 5.592 -14.561 49.732 1.00 50.45 H new ATOM 0 HD3 LYS A 717 6.644 -15.623 49.287 1.00 50.45 H new ATOM 0 HE2 LYS A 717 5.212 -16.339 47.555 1.00 52.46 H new ATOM 0 HE3 LYS A 717 4.127 -15.318 48.015 1.00 52.46 H new ATOM 0 HZ1 LYS A 717 5.326 -14.453 46.278 1.00 55.19 H new ATOM 0 HZ2 LYS A 717 5.560 -13.619 47.444 1.00 55.19 H new ATOM 0 HZ3 LYS A 717 6.572 -14.570 47.016 1.00 55.19 H new ATOM 369 N TRP A 718 0.584 -17.413 51.018 1.00 36.14 N ATOM 370 CA TRP A 718 -0.852 -17.167 51.143 1.00 34.29 C ATOM 371 C TRP A 718 -1.336 -17.664 52.508 1.00 34.37 C ATOM 372 O TRP A 718 -1.949 -16.917 53.276 1.00 32.69 O ATOM 373 CB TRP A 718 -1.602 -17.904 50.023 1.00 33.14 C ATOM 374 CG TRP A 718 -3.083 -18.003 50.229 1.00 33.65 C ATOM 375 CD1 TRP A 718 -4.008 -17.014 50.053 1.00 33.68 C ATOM 376 CD2 TRP A 718 -3.813 -19.163 50.659 1.00 34.13 C ATOM 377 NE1 TRP A 718 -5.272 -17.484 50.345 1.00 33.92 N ATOM 378 CE2 TRP A 718 -5.181 -18.799 50.719 1.00 34.09 C ATOM 379 CE3 TRP A 718 -3.445 -20.475 50.997 1.00 32.17 C ATOM 380 CZ2 TRP A 718 -6.183 -19.700 51.103 1.00 31.75 C ATOM 381 CZ3 TRP A 718 -4.441 -21.371 51.380 1.00 32.63 C ATOM 382 CH2 TRP A 718 -5.797 -20.976 51.429 1.00 32.02 C ATOM 0 H TRP A 718 0.792 -18.006 50.430 1.00 36.14 H new ATOM 0 HA TRP A 718 -1.026 -16.216 51.068 1.00 34.29 H new ATOM 0 HB2 TRP A 718 -1.433 -17.450 49.183 1.00 33.14 H new ATOM 0 HB3 TRP A 718 -1.238 -18.799 49.940 1.00 33.14 H new ATOM 0 HD1 TRP A 718 -3.814 -16.148 49.776 1.00 33.68 H new ATOM 0 HE1 TRP A 718 -5.999 -17.026 50.300 1.00 33.92 H new ATOM 0 HE3 TRP A 718 -2.554 -20.741 50.966 1.00 32.17 H new ATOM 0 HZ2 TRP A 718 -7.076 -19.443 51.136 1.00 31.75 H new ATOM 0 HZ3 TRP A 718 -4.210 -22.243 51.607 1.00 32.63 H new ATOM 0 HH2 TRP A 718 -6.442 -21.594 51.688 1.00 32.02 H new ATOM 383 N ALA A 719 -1.045 -18.928 52.805 1.00 34.89 N ATOM 384 CA ALA A 719 -1.449 -19.546 54.071 1.00 34.91 C ATOM 385 C ALA A 719 -0.964 -18.743 55.279 1.00 34.29 C ATOM 386 O ALA A 719 -1.732 -18.475 56.207 1.00 32.72 O ATOM 387 CB ALA A 719 -0.922 -20.990 54.144 1.00 34.18 C ATOM 0 H ALA A 719 -0.609 -19.452 52.281 1.00 34.89 H new ATOM 0 HA ALA A 719 -2.419 -19.555 54.099 1.00 34.91 H new ATOM 0 HB1 ALA A 719 -1.193 -21.392 54.984 1.00 34.18 H new ATOM 0 HB2 ALA A 719 -1.286 -21.505 53.407 1.00 34.18 H new ATOM 0 HB3 ALA A 719 0.046 -20.985 54.087 1.00 34.18 H new ATOM 388 N LYS A 720 0.305 -18.355 55.262 1.00 34.40 N ATOM 389 CA LYS A 720 0.877 -17.572 56.356 1.00 36.20 C ATOM 390 C LYS A 720 0.120 -16.261 56.613 1.00 34.80 C ATOM 391 O LYS A 720 0.153 -15.729 57.716 1.00 34.21 O ATOM 392 CB LYS A 720 2.347 -17.261 56.062 1.00 37.85 C ATOM 393 CG LYS A 720 3.341 -18.278 56.597 1.00 40.85 C ATOM 394 CD LYS A 720 4.715 -18.024 55.990 1.00 45.73 C ATOM 395 CE LYS A 720 5.837 -18.724 56.755 1.00 48.38 C ATOM 396 NZ LYS A 720 6.128 -18.052 58.056 1.00 47.21 N ATOM 0 H LYS A 720 0.855 -18.534 54.626 1.00 34.40 H new ATOM 0 HA LYS A 720 0.798 -18.113 57.158 1.00 36.20 H new ATOM 0 HB2 LYS A 720 2.462 -17.191 55.101 1.00 37.85 H new ATOM 0 HB3 LYS A 720 2.561 -16.392 56.437 1.00 37.85 H new ATOM 0 HG2 LYS A 720 3.389 -18.218 57.564 1.00 40.85 H new ATOM 0 HG3 LYS A 720 3.044 -19.176 56.383 1.00 40.85 H new ATOM 0 HD2 LYS A 720 4.718 -18.328 55.069 1.00 45.73 H new ATOM 0 HD3 LYS A 720 4.886 -17.069 55.975 1.00 45.73 H new ATOM 0 HE2 LYS A 720 5.590 -19.648 56.917 1.00 48.38 H new ATOM 0 HE3 LYS A 720 6.640 -18.736 56.211 1.00 48.38 H new ATOM 0 HZ1 LYS A 720 6.804 -18.467 58.460 1.00 47.21 H new ATOM 0 HZ2 LYS A 720 6.348 -17.202 57.909 1.00 47.21 H new ATOM 0 HZ3 LYS A 720 5.406 -18.086 58.576 1.00 47.21 H new ATOM 397 N ALA A 721 -0.577 -15.752 55.604 1.00 34.72 N ATOM 398 CA ALA A 721 -1.316 -14.499 55.752 1.00 34.09 C ATOM 399 C ALA A 721 -2.794 -14.684 56.100 1.00 35.41 C ATOM 400 O ALA A 721 -3.522 -13.704 56.273 1.00 33.79 O ATOM 401 CB ALA A 721 -1.192 -13.680 54.476 1.00 34.87 C ATOM 0 H ALA A 721 -0.636 -16.114 54.826 1.00 34.72 H new ATOM 0 HA ALA A 721 -0.916 -14.035 56.504 1.00 34.09 H new ATOM 0 HB1 ALA A 721 -1.683 -12.849 54.576 1.00 34.87 H new ATOM 0 HB2 ALA A 721 -0.257 -13.485 54.306 1.00 34.87 H new ATOM 0 HB3 ALA A 721 -1.557 -14.183 53.731 1.00 34.87 H new ATOM 402 N LEU A 722 -3.241 -15.935 56.185 1.00 35.08 N ATOM 403 CA LEU A 722 -4.634 -16.212 56.511 1.00 34.57 C ATOM 404 C LEU A 722 -4.946 -15.826 57.944 1.00 33.65 C ATOM 405 O LEU A 722 -4.120 -15.991 58.835 1.00 35.82 O ATOM 406 CB LEU A 722 -4.946 -17.699 56.315 1.00 33.92 C ATOM 407 CG LEU A 722 -5.176 -18.202 54.884 1.00 34.88 C ATOM 408 CD1 LEU A 722 -5.199 -19.744 54.860 1.00 31.09 C ATOM 409 CD2 LEU A 722 -6.492 -17.630 54.362 1.00 30.65 C ATOM 0 H LEU A 722 -2.755 -16.633 56.058 1.00 35.08 H new ATOM 0 HA LEU A 722 -5.185 -15.682 55.913 1.00 34.57 H new ATOM 0 HB2 LEU A 722 -4.214 -18.209 56.696 1.00 33.92 H new ATOM 0 HB3 LEU A 722 -5.738 -17.908 56.835 1.00 33.92 H new ATOM 0 HG LEU A 722 -4.452 -17.906 54.311 1.00 34.88 H new ATOM 0 HD11 LEU A 722 -5.345 -20.052 53.952 1.00 31.09 H new ATOM 0 HD12 LEU A 722 -4.351 -20.086 55.184 1.00 31.09 H new ATOM 0 HD13 LEU A 722 -5.916 -20.066 55.429 1.00 31.09 H new ATOM 0 HD21 LEU A 722 -6.645 -17.944 53.457 1.00 30.65 H new ATOM 0 HD22 LEU A 722 -7.221 -17.922 54.932 1.00 30.65 H new ATOM 0 HD23 LEU A 722 -6.448 -16.661 54.365 1.00 30.65 H new ATOM 410 N PRO A 723 -6.152 -15.304 58.190 1.00 34.02 N ATOM 411 CA PRO A 723 -6.493 -14.925 59.561 1.00 34.34 C ATOM 412 C PRO A 723 -6.310 -16.086 60.536 1.00 37.17 C ATOM 413 O PRO A 723 -6.730 -17.214 60.268 1.00 37.48 O ATOM 414 CB PRO A 723 -7.951 -14.502 59.449 1.00 34.54 C ATOM 415 CG PRO A 723 -8.030 -13.946 58.049 1.00 33.21 C ATOM 416 CD PRO A 723 -7.224 -14.930 57.246 1.00 33.29 C ATOM 0 HA PRO A 723 -5.922 -14.225 59.913 1.00 34.34 H new ATOM 0 HB2 PRO A 723 -8.554 -15.252 59.573 1.00 34.54 H new ATOM 0 HB3 PRO A 723 -8.185 -13.836 60.115 1.00 34.54 H new ATOM 0 HG2 PRO A 723 -8.946 -13.892 57.735 1.00 33.21 H new ATOM 0 HG3 PRO A 723 -7.659 -13.051 57.997 1.00 33.21 H new ATOM 0 HD2 PRO A 723 -7.753 -15.697 56.977 1.00 33.29 H new ATOM 0 HD3 PRO A 723 -6.870 -14.532 56.436 1.00 33.29 H new ATOM 417 N GLY A 724 -5.657 -15.801 61.658 1.00 37.95 N ATOM 418 CA GLY A 724 -5.441 -16.801 62.688 1.00 36.52 C ATOM 419 C GLY A 724 -4.485 -17.941 62.410 1.00 37.25 C ATOM 420 O GLY A 724 -4.278 -18.776 63.286 1.00 38.82 O ATOM 0 H GLY A 724 -5.330 -15.027 61.840 1.00 37.95 H new ATOM 0 HA2 GLY A 724 -5.126 -16.341 63.482 1.00 36.52 H new ATOM 0 HA3 GLY A 724 -6.303 -17.188 62.907 1.00 36.52 H new ATOM 421 N PHE A 725 -3.888 -17.985 61.222 1.00 37.45 N ATOM 422 CA PHE A 725 -2.962 -19.065 60.878 1.00 37.46 C ATOM 423 C PHE A 725 -1.768 -19.156 61.837 1.00 41.53 C ATOM 424 O PHE A 725 -1.242 -20.247 62.100 1.00 39.41 O ATOM 425 CB PHE A 725 -2.434 -18.877 59.455 1.00 35.51 C ATOM 426 CG PHE A 725 -1.672 -20.066 58.928 1.00 32.74 C ATOM 427 CD1 PHE A 725 -2.343 -21.205 58.505 1.00 32.61 C ATOM 428 CD2 PHE A 725 -0.283 -20.053 58.879 1.00 34.92 C ATOM 429 CE1 PHE A 725 -1.646 -22.321 58.039 1.00 33.05 C ATOM 430 CE2 PHE A 725 0.429 -21.166 58.414 1.00 34.09 C ATOM 431 CZ PHE A 725 -0.256 -22.300 57.995 1.00 33.21 C ATOM 0 H PHE A 725 -4.004 -17.401 60.601 1.00 37.45 H new ATOM 0 HA PHE A 725 -3.467 -19.890 60.950 1.00 37.46 H new ATOM 0 HB2 PHE A 725 -3.181 -18.694 58.863 1.00 35.51 H new ATOM 0 HB3 PHE A 725 -1.857 -18.098 59.433 1.00 35.51 H new ATOM 0 HD1 PHE A 725 -3.272 -21.225 58.533 1.00 32.61 H new ATOM 0 HD2 PHE A 725 0.179 -19.296 59.158 1.00 34.92 H new ATOM 0 HE1 PHE A 725 -2.110 -23.077 57.759 1.00 33.05 H new ATOM 0 HE2 PHE A 725 1.358 -21.146 58.386 1.00 34.09 H new ATOM 0 HZ PHE A 725 0.213 -23.042 57.687 1.00 33.21 H new ATOM 432 N ARG A 726 -1.338 -18.005 62.347 1.00 44.08 N ATOM 433 CA ARG A 726 -0.199 -17.949 63.256 1.00 48.61 C ATOM 434 C ARG A 726 -0.503 -18.525 64.632 1.00 49.27 C ATOM 435 O ARG A 726 0.412 -18.782 65.413 1.00 49.58 O ATOM 436 CB ARG A 726 0.290 -16.503 63.400 1.00 51.28 C ATOM 437 CG ARG A 726 0.905 -15.904 62.138 1.00 55.00 C ATOM 438 CD ARG A 726 0.825 -14.395 62.183 1.00 58.11 C ATOM 439 NE ARG A 726 1.348 -13.790 60.968 1.00 60.69 N ATOM 440 CZ ARG A 726 1.081 -12.548 60.577 1.00 61.78 C ATOM 441 NH1 ARG A 726 0.288 -11.782 61.312 1.00 59.34 N ATOM 442 NH2 ARG A 726 1.610 -12.071 59.449 1.00 63.10 N ATOM 0 H ARG A 726 -1.695 -17.241 62.177 1.00 44.08 H new ATOM 0 HA ARG A 726 0.495 -18.501 62.863 1.00 48.61 H new ATOM 0 HB2 ARG A 726 -0.457 -15.949 63.675 1.00 51.28 H new ATOM 0 HB3 ARG A 726 0.947 -16.467 64.113 1.00 51.28 H new ATOM 0 HG2 ARG A 726 1.830 -16.183 62.057 1.00 55.00 H new ATOM 0 HG3 ARG A 726 0.439 -16.236 61.354 1.00 55.00 H new ATOM 0 HD2 ARG A 726 -0.098 -14.124 62.308 1.00 58.11 H new ATOM 0 HD3 ARG A 726 1.323 -14.067 62.948 1.00 58.11 H new ATOM 0 HE ARG A 726 1.863 -14.266 60.471 1.00 60.69 H new ATOM 0 HH11 ARG A 726 -0.052 -12.089 62.040 1.00 59.34 H new ATOM 0 HH12 ARG A 726 0.114 -10.978 61.061 1.00 59.34 H new ATOM 0 HH21 ARG A 726 2.126 -12.568 58.972 1.00 63.10 H new ATOM 0 HH22 ARG A 726 1.435 -11.267 59.199 1.00 63.10 H new ATOM 443 N ASN A 727 -1.785 -18.713 64.933 1.00 49.95 N ATOM 444 CA ASN A 727 -2.173 -19.282 66.215 1.00 51.13 C ATOM 445 C ASN A 727 -1.724 -20.739 66.270 1.00 50.17 C ATOM 446 O ASN A 727 -1.503 -21.285 67.345 1.00 51.00 O ATOM 447 CB ASN A 727 -3.694 -19.232 66.416 1.00 54.01 C ATOM 448 CG ASN A 727 -4.215 -17.827 66.677 1.00 57.54 C ATOM 449 OD1 ASN A 727 -3.558 -17.018 67.335 1.00 59.66 O ATOM 450 ND2 ASN A 727 -5.420 -17.543 66.186 1.00 57.43 N ATOM 0 H ASN A 727 -2.440 -18.518 64.411 1.00 49.95 H new ATOM 0 HA ASN A 727 -1.751 -18.760 66.916 1.00 51.13 H new ATOM 0 HB2 ASN A 727 -4.131 -19.592 65.628 1.00 54.01 H new ATOM 0 HB3 ASN A 727 -3.935 -19.804 67.161 1.00 54.01 H new ATOM 0 HD21 ASN A 727 -5.769 -16.769 66.324 1.00 57.43 H new ATOM 0 HD22 ASN A 727 -5.849 -18.133 65.731 1.00 57.43 H new ATOM 451 N LEU A 728 -1.598 -21.366 65.105 1.00 49.54 N ATOM 452 CA LEU A 728 -1.189 -22.764 65.030 1.00 48.88 C ATOM 453 C LEU A 728 0.276 -22.922 65.383 1.00 48.63 C ATOM 454 O LEU A 728 1.073 -22.012 65.183 1.00 49.06 O ATOM 455 CB LEU A 728 -1.403 -23.325 63.621 1.00 47.16 C ATOM 456 CG LEU A 728 -2.804 -23.317 63.012 1.00 48.49 C ATOM 457 CD1 LEU A 728 -2.737 -23.903 61.609 1.00 47.30 C ATOM 458 CD2 LEU A 728 -3.765 -24.117 63.877 1.00 49.24 C ATOM 0 H LEU A 728 -1.746 -20.997 64.342 1.00 49.54 H new ATOM 0 HA LEU A 728 -1.736 -23.252 65.666 1.00 48.88 H new ATOM 0 HB2 LEU A 728 -0.822 -22.832 63.021 1.00 47.16 H new ATOM 0 HB3 LEU A 728 -1.093 -24.244 63.624 1.00 47.16 H new ATOM 0 HG LEU A 728 -3.131 -22.405 62.967 1.00 48.49 H new ATOM 0 HD11 LEU A 728 -3.623 -23.902 61.215 1.00 47.30 H new ATOM 0 HD12 LEU A 728 -2.140 -23.368 61.063 1.00 47.30 H new ATOM 0 HD13 LEU A 728 -2.405 -24.813 61.654 1.00 47.30 H new ATOM 0 HD21 LEU A 728 -4.649 -24.102 63.478 1.00 49.24 H new ATOM 0 HD22 LEU A 728 -3.455 -25.034 63.942 1.00 49.24 H new ATOM 0 HD23 LEU A 728 -3.805 -23.726 64.764 1.00 49.24 H new ATOM 459 N HIS A 729 0.632 -24.088 65.902 1.00 48.10 N ATOM 460 CA HIS A 729 2.022 -24.356 66.236 1.00 47.48 C ATOM 461 C HIS A 729 2.805 -24.386 64.921 1.00 47.17 C ATOM 462 O HIS A 729 2.286 -24.831 63.897 1.00 45.72 O ATOM 463 CB HIS A 729 2.127 -25.703 66.948 1.00 46.64 C ATOM 464 CG HIS A 729 3.521 -26.068 67.344 1.00 46.63 C ATOM 465 ND1 HIS A 729 4.536 -26.228 66.427 1.00 47.63 N ATOM 466 CD2 HIS A 729 4.070 -26.300 68.560 1.00 47.11 C ATOM 467 CE1 HIS A 729 5.652 -26.544 67.061 1.00 48.78 C ATOM 468 NE2 HIS A 729 5.396 -26.593 68.356 1.00 48.08 N ATOM 0 H HIS A 729 0.089 -24.734 66.068 1.00 48.10 H new ATOM 0 HA HIS A 729 2.379 -23.675 66.827 1.00 47.48 H new ATOM 0 HB2 HIS A 729 1.569 -25.685 67.741 1.00 46.64 H new ATOM 0 HB3 HIS A 729 1.773 -26.395 66.368 1.00 46.64 H new ATOM 0 HD2 HIS A 729 3.631 -26.267 69.379 1.00 47.11 H new ATOM 0 HE1 HIS A 729 6.477 -26.705 66.663 1.00 48.78 H new ATOM 0 HE2 HIS A 729 5.967 -26.778 68.972 1.00 48.08 H new ATOM 469 N VAL A 730 4.048 -23.916 64.948 1.00 47.24 N ATOM 470 CA VAL A 730 4.879 -23.886 63.747 1.00 47.25 C ATOM 471 C VAL A 730 4.853 -25.191 62.962 1.00 46.22 C ATOM 472 O VAL A 730 4.645 -25.191 61.749 1.00 47.33 O ATOM 473 CB VAL A 730 6.359 -23.559 64.084 1.00 48.85 C ATOM 474 CG1 VAL A 730 7.234 -23.751 62.852 1.00 48.75 C ATOM 475 CG2 VAL A 730 6.473 -22.130 64.575 1.00 49.90 C ATOM 0 H VAL A 730 4.431 -23.609 65.654 1.00 47.24 H new ATOM 0 HA VAL A 730 4.493 -23.186 63.197 1.00 47.25 H new ATOM 0 HB VAL A 730 6.661 -24.162 64.782 1.00 48.85 H new ATOM 0 HG11 VAL A 730 8.155 -23.544 63.074 1.00 48.75 H new ATOM 0 HG12 VAL A 730 7.173 -24.671 62.552 1.00 48.75 H new ATOM 0 HG13 VAL A 730 6.932 -23.160 62.145 1.00 48.75 H new ATOM 0 HG21 VAL A 730 7.399 -21.932 64.784 1.00 49.90 H new ATOM 0 HG22 VAL A 730 6.161 -21.524 63.884 1.00 49.90 H new ATOM 0 HG23 VAL A 730 5.931 -22.017 65.372 1.00 49.90 H new ATOM 476 N ASP A 731 5.065 -26.306 63.646 1.00 45.33 N ATOM 477 CA ASP A 731 5.087 -27.591 62.964 1.00 45.40 C ATOM 478 C ASP A 731 3.752 -27.967 62.336 1.00 43.56 C ATOM 479 O ASP A 731 3.715 -28.697 61.351 1.00 40.98 O ATOM 480 CB ASP A 731 5.540 -28.693 63.921 1.00 47.58 C ATOM 481 CG ASP A 731 6.913 -28.416 64.511 1.00 50.84 C ATOM 482 OD1 ASP A 731 7.780 -27.873 63.786 1.00 49.66 O ATOM 483 OD2 ASP A 731 7.124 -28.748 65.694 1.00 51.45 O ATOM 0 H ASP A 731 5.197 -26.342 64.495 1.00 45.33 H new ATOM 0 HA ASP A 731 5.722 -27.501 62.236 1.00 45.40 H new ATOM 0 HB2 ASP A 731 4.894 -28.781 64.639 1.00 47.58 H new ATOM 0 HB3 ASP A 731 5.558 -29.541 63.450 1.00 47.58 H new ATOM 484 N ASP A 732 2.656 -27.484 62.908 1.00 42.17 N ATOM 485 CA ASP A 732 1.358 -27.795 62.342 1.00 42.24 C ATOM 486 C ASP A 732 1.141 -26.915 61.121 1.00 41.23 C ATOM 487 O ASP A 732 0.538 -27.346 60.138 1.00 41.66 O ATOM 488 CB ASP A 732 0.247 -27.576 63.365 1.00 41.98 C ATOM 489 CG ASP A 732 0.239 -28.638 64.445 1.00 44.96 C ATOM 490 OD1 ASP A 732 0.765 -29.747 64.199 1.00 44.42 O ATOM 491 OD2 ASP A 732 -0.314 -28.376 65.535 1.00 46.52 O ATOM 0 H ASP A 732 2.643 -26.986 63.609 1.00 42.17 H new ATOM 0 HA ASP A 732 1.333 -28.730 62.085 1.00 42.24 H new ATOM 0 HB2 ASP A 732 0.355 -26.703 63.774 1.00 41.98 H new ATOM 0 HB3 ASP A 732 -0.611 -27.573 62.912 1.00 41.98 H new ATOM 492 N GLN A 733 1.651 -25.688 61.187 1.00 39.39 N ATOM 493 CA GLN A 733 1.536 -24.749 60.077 1.00 37.98 C ATOM 494 C GLN A 733 2.086 -25.412 58.824 1.00 36.75 C ATOM 495 O GLN A 733 1.431 -25.425 57.779 1.00 33.87 O ATOM 496 CB GLN A 733 2.334 -23.470 60.361 1.00 37.38 C ATOM 497 CG GLN A 733 1.712 -22.559 61.403 1.00 40.22 C ATOM 498 CD GLN A 733 2.495 -21.273 61.582 1.00 40.97 C ATOM 499 OE1 GLN A 733 3.076 -20.757 60.631 1.00 41.95 O ATOM 500 NE2 GLN A 733 2.498 -20.740 62.800 1.00 41.20 N ATOM 0 H GLN A 733 2.070 -25.379 61.871 1.00 39.39 H new ATOM 0 HA GLN A 733 0.603 -24.510 59.958 1.00 37.98 H new ATOM 0 HB2 GLN A 733 3.225 -23.717 60.654 1.00 37.38 H new ATOM 0 HB3 GLN A 733 2.435 -22.974 59.533 1.00 37.38 H new ATOM 0 HG2 GLN A 733 0.802 -22.348 61.143 1.00 40.22 H new ATOM 0 HG3 GLN A 733 1.664 -23.027 62.251 1.00 40.22 H new ATOM 0 HE21 GLN A 733 2.079 -21.131 63.441 1.00 41.20 H new ATOM 0 HE22 GLN A 733 2.919 -20.004 62.946 1.00 41.20 H new ATOM 501 N MET A 734 3.293 -25.959 58.942 1.00 34.99 N ATOM 502 CA MET A 734 3.945 -26.632 57.830 1.00 37.89 C ATOM 503 C MET A 734 3.173 -27.885 57.441 1.00 37.63 C ATOM 504 O MET A 734 2.981 -28.163 56.257 1.00 38.70 O ATOM 505 CB MET A 734 5.379 -27.016 58.208 1.00 38.35 C ATOM 506 CG MET A 734 6.252 -25.831 58.600 1.00 43.95 C ATOM 507 SD MET A 734 8.010 -26.256 58.716 1.00 49.15 S ATOM 508 CE MET A 734 7.996 -27.364 60.127 1.00 48.41 C ATOM 0 H MET A 734 3.754 -25.949 59.668 1.00 34.99 H new ATOM 0 HA MET A 734 3.964 -26.022 57.076 1.00 37.89 H new ATOM 0 HB2 MET A 734 5.352 -27.645 58.946 1.00 38.35 H new ATOM 0 HB3 MET A 734 5.790 -27.475 57.459 1.00 38.35 H new ATOM 0 HG2 MET A 734 6.138 -25.122 57.948 1.00 43.95 H new ATOM 0 HG3 MET A 734 5.951 -25.482 59.454 1.00 43.95 H new ATOM 0 HE1 MET A 734 8.906 -27.612 60.353 1.00 48.41 H new ATOM 0 HE2 MET A 734 7.585 -26.919 60.884 1.00 48.41 H new ATOM 0 HE3 MET A 734 7.489 -28.161 59.908 1.00 48.41 H new ATOM 509 N ALA A 735 2.721 -28.630 58.445 1.00 37.09 N ATOM 510 CA ALA A 735 1.981 -29.864 58.213 1.00 36.50 C ATOM 511 C ALA A 735 0.728 -29.679 57.356 1.00 34.57 C ATOM 512 O ALA A 735 0.599 -30.316 56.310 1.00 34.20 O ATOM 513 CB ALA A 735 1.613 -30.517 59.553 1.00 36.12 C ATOM 0 H ALA A 735 2.834 -28.435 59.275 1.00 37.09 H new ATOM 0 HA ALA A 735 2.571 -30.445 57.708 1.00 36.50 H new ATOM 0 HB1 ALA A 735 1.121 -31.337 59.389 1.00 36.12 H new ATOM 0 HB2 ALA A 735 2.422 -30.719 60.048 1.00 36.12 H new ATOM 0 HB3 ALA A 735 1.063 -29.908 60.070 1.00 36.12 H new ATOM 514 N VAL A 736 -0.194 -28.813 57.771 1.00 32.16 N ATOM 515 CA VAL A 736 -1.402 -28.648 56.968 1.00 34.00 C ATOM 516 C VAL A 736 -1.105 -28.242 55.528 1.00 31.34 C ATOM 517 O VAL A 736 -1.758 -28.716 54.605 1.00 33.13 O ATOM 518 CB VAL A 736 -2.397 -27.643 57.600 1.00 34.82 C ATOM 519 CG1 VAL A 736 -2.834 -28.159 58.965 1.00 32.90 C ATOM 520 CG2 VAL A 736 -1.777 -26.255 57.696 1.00 33.00 C ATOM 0 H VAL A 736 -0.145 -28.331 58.482 1.00 32.16 H new ATOM 0 HA VAL A 736 -1.817 -29.525 56.953 1.00 34.00 H new ATOM 0 HB VAL A 736 -3.181 -27.565 57.034 1.00 34.82 H new ATOM 0 HG11 VAL A 736 -3.457 -27.532 59.364 1.00 32.90 H new ATOM 0 HG12 VAL A 736 -3.265 -29.022 58.862 1.00 32.90 H new ATOM 0 HG13 VAL A 736 -2.058 -28.252 59.539 1.00 32.90 H new ATOM 0 HG21 VAL A 736 -2.415 -25.642 58.094 1.00 33.00 H new ATOM 0 HG22 VAL A 736 -0.980 -26.294 58.247 1.00 33.00 H new ATOM 0 HG23 VAL A 736 -1.541 -25.944 56.808 1.00 33.00 H new ATOM 521 N ILE A 737 -0.113 -27.384 55.328 1.00 30.72 N ATOM 522 CA ILE A 737 0.242 -26.963 53.977 1.00 30.34 C ATOM 523 C ILE A 737 0.740 -28.165 53.177 1.00 30.93 C ATOM 524 O ILE A 737 0.382 -28.348 52.012 1.00 30.30 O ATOM 525 CB ILE A 737 1.354 -25.880 53.995 1.00 29.49 C ATOM 526 CG1 ILE A 737 0.792 -24.558 54.515 1.00 30.72 C ATOM 527 CG2 ILE A 737 1.935 -25.704 52.601 1.00 29.54 C ATOM 528 CD1 ILE A 737 1.854 -23.487 54.766 1.00 29.72 C ATOM 0 H ILE A 737 0.364 -27.036 55.953 1.00 30.72 H new ATOM 0 HA ILE A 737 -0.552 -26.587 53.566 1.00 30.34 H new ATOM 0 HB ILE A 737 2.064 -26.167 54.590 1.00 29.49 H new ATOM 0 HG12 ILE A 737 0.147 -24.217 53.875 1.00 30.72 H new ATOM 0 HG13 ILE A 737 0.312 -24.724 55.341 1.00 30.72 H new ATOM 0 HG21 ILE A 737 2.628 -25.026 52.622 1.00 29.54 H new ATOM 0 HG22 ILE A 737 2.314 -26.544 52.300 1.00 29.54 H new ATOM 0 HG23 ILE A 737 1.233 -25.429 51.990 1.00 29.54 H new ATOM 0 HD11 ILE A 737 1.428 -22.679 55.093 1.00 29.72 H new ATOM 0 HD12 ILE A 737 2.488 -23.808 55.426 1.00 29.72 H new ATOM 0 HD13 ILE A 737 2.321 -23.293 53.938 1.00 29.72 H new ATOM 529 N GLN A 738 1.569 -28.985 53.815 1.00 31.79 N ATOM 530 CA GLN A 738 2.132 -30.159 53.170 1.00 32.23 C ATOM 531 C GLN A 738 1.114 -31.264 52.858 1.00 33.36 C ATOM 532 O GLN A 738 1.311 -32.030 51.920 1.00 33.79 O ATOM 533 CB GLN A 738 3.287 -30.693 54.024 1.00 33.03 C ATOM 534 CG GLN A 738 4.537 -29.823 53.888 1.00 38.79 C ATOM 535 CD GLN A 738 5.657 -30.173 54.858 1.00 40.26 C ATOM 536 OE1 GLN A 738 5.359 -30.996 55.850 1.00 43.20 O flip ATOM 537 NE2 GLN A 738 6.778 -29.690 54.713 1.00 37.17 N flip ATOM 0 H GLN A 738 1.819 -28.875 54.631 1.00 31.79 H new ATOM 0 HA GLN A 738 2.456 -29.875 52.301 1.00 32.23 H new ATOM 0 HB2 GLN A 738 3.014 -30.726 54.954 1.00 33.03 H new ATOM 0 HB3 GLN A 738 3.494 -31.602 53.757 1.00 33.03 H new ATOM 0 HG2 GLN A 738 4.874 -29.900 52.982 1.00 38.79 H new ATOM 0 HG3 GLN A 738 4.288 -28.895 54.021 1.00 38.79 H new ATOM 0 HE21 GLN A 738 6.935 -29.158 54.056 1.00 37.17 H new ATOM 0 HE22 GLN A 738 7.405 -29.884 55.269 1.00 37.17 H new ATOM 538 N TYR A 739 0.029 -31.351 53.627 1.00 31.79 N ATOM 539 CA TYR A 739 -0.984 -32.365 53.355 1.00 33.90 C ATOM 540 C TYR A 739 -2.053 -31.854 52.384 1.00 34.11 C ATOM 541 O TYR A 739 -2.540 -32.601 51.535 1.00 33.45 O ATOM 542 CB TYR A 739 -1.702 -32.821 54.639 1.00 35.99 C ATOM 543 CG TYR A 739 -0.801 -33.358 55.733 1.00 39.47 C ATOM 544 CD1 TYR A 739 0.335 -34.111 55.427 1.00 39.65 C ATOM 545 CD2 TYR A 739 -1.084 -33.103 57.076 1.00 39.91 C ATOM 546 CE1 TYR A 739 1.169 -34.591 56.428 1.00 41.69 C ATOM 547 CE2 TYR A 739 -0.254 -33.583 58.086 1.00 43.47 C ATOM 548 CZ TYR A 739 0.871 -34.325 57.753 1.00 44.70 C ATOM 549 OH TYR A 739 1.696 -34.795 58.749 1.00 49.18 O ATOM 0 H TYR A 739 -0.137 -30.841 54.300 1.00 31.79 H new ATOM 0 HA TYR A 739 -0.506 -33.111 52.961 1.00 33.90 H new ATOM 0 HB2 TYR A 739 -2.204 -32.071 54.994 1.00 35.99 H new ATOM 0 HB3 TYR A 739 -2.345 -33.508 54.405 1.00 35.99 H new ATOM 0 HD1 TYR A 739 0.536 -34.294 54.538 1.00 39.65 H new ATOM 0 HD2 TYR A 739 -1.837 -32.606 57.299 1.00 39.91 H new ATOM 0 HE1 TYR A 739 1.924 -35.088 56.209 1.00 41.69 H new ATOM 0 HE2 TYR A 739 -0.452 -33.408 58.978 1.00 43.47 H new ATOM 0 HH TYR A 739 1.395 -34.559 59.497 1.00 49.18 H new ATOM 550 N SER A 740 -2.403 -30.576 52.509 1.00 32.29 N ATOM 551 CA SER A 740 -3.451 -29.984 51.688 1.00 32.33 C ATOM 552 C SER A 740 -3.110 -29.289 50.377 1.00 33.01 C ATOM 553 O SER A 740 -4.030 -28.906 49.643 1.00 32.38 O ATOM 554 CB SER A 740 -4.250 -28.996 52.531 1.00 33.87 C ATOM 555 OG ASER A 740 -3.442 -27.895 52.912 0.50 29.53 O ATOM 556 OG BSER A 740 -5.163 -29.675 53.371 0.50 32.66 O ATOM 0 H SER A 740 -2.041 -30.032 53.069 1.00 32.29 H new ATOM 0 HA SER A 740 -3.928 -30.777 51.398 1.00 32.33 H new ATOM 0 HB2ASER A 740 -5.018 -28.681 52.028 0.50 33.87 H new ATOM 0 HB2BSER A 740 -3.646 -28.461 53.069 0.50 33.87 H new ATOM 0 HB3ASER A 740 -4.592 -29.441 53.322 0.50 33.87 H new ATOM 0 HB3BSER A 740 -4.731 -28.385 51.951 0.50 33.87 H new ATOM 0 HG ASER A 740 -2.910 -28.134 53.517 0.50 32.66 H new ATOM 0 HG BSER A 740 -5.916 -29.306 53.322 0.50 32.66 H new ATOM 557 N TRP A 741 -1.829 -29.117 50.063 1.00 30.29 N ATOM 558 CA TRP A 741 -1.483 -28.415 48.836 1.00 31.02 C ATOM 559 C TRP A 741 -2.157 -28.942 47.575 1.00 30.30 C ATOM 560 O TRP A 741 -2.589 -28.158 46.742 1.00 31.04 O ATOM 561 CB TRP A 741 0.036 -28.369 48.620 1.00 33.11 C ATOM 562 CG TRP A 741 0.689 -29.697 48.424 1.00 34.26 C ATOM 563 CD1 TRP A 741 1.210 -30.500 49.391 1.00 33.97 C ATOM 564 CD2 TRP A 741 0.932 -30.358 47.177 1.00 35.10 C ATOM 565 NE1 TRP A 741 1.769 -31.617 48.828 1.00 35.68 N ATOM 566 CE2 TRP A 741 1.613 -31.557 47.469 1.00 35.27 C ATOM 567 CE3 TRP A 741 0.641 -30.051 45.837 1.00 32.84 C ATOM 568 CZ2 TRP A 741 2.011 -32.453 46.473 1.00 35.60 C ATOM 569 CZ3 TRP A 741 1.035 -30.938 44.849 1.00 32.70 C ATOM 570 CH2 TRP A 741 1.715 -32.126 45.173 1.00 36.75 C ATOM 0 H TRP A 741 -1.163 -29.391 50.533 1.00 30.29 H new ATOM 0 HA TRP A 741 -1.830 -27.520 48.976 1.00 31.02 H new ATOM 0 HB2 TRP A 741 0.222 -27.816 47.845 1.00 33.11 H new ATOM 0 HB3 TRP A 741 0.444 -27.933 49.384 1.00 33.11 H new ATOM 0 HD1 TRP A 741 1.190 -30.317 50.303 1.00 33.97 H new ATOM 0 HE1 TRP A 741 2.156 -32.253 49.259 1.00 35.68 H new ATOM 0 HE3 TRP A 741 0.192 -29.267 45.618 1.00 32.84 H new ATOM 0 HZ2 TRP A 741 2.459 -33.240 46.683 1.00 35.60 H new ATOM 0 HZ3 TRP A 741 0.847 -30.745 43.959 1.00 32.70 H new ATOM 0 HH2 TRP A 741 1.970 -32.704 44.490 1.00 36.75 H new ATOM 571 N MET A 742 -2.241 -30.259 47.427 1.00 31.02 N ATOM 572 CA MET A 742 -2.870 -30.847 46.239 1.00 30.34 C ATOM 573 C MET A 742 -4.329 -30.433 46.075 1.00 29.04 C ATOM 574 O MET A 742 -4.741 -30.031 44.993 1.00 29.92 O ATOM 575 CB MET A 742 -2.803 -32.372 46.288 1.00 29.42 C ATOM 576 CG MET A 742 -3.318 -33.053 45.018 1.00 27.51 C ATOM 577 SD MET A 742 -2.213 -32.837 43.601 1.00 31.44 S ATOM 578 CE MET A 742 -0.947 -34.068 43.993 1.00 28.06 C ATOM 0 H MET A 742 -1.943 -30.831 47.997 1.00 31.02 H new ATOM 0 HA MET A 742 -2.370 -30.509 45.480 1.00 30.34 H new ATOM 0 HB2 MET A 742 -1.884 -32.642 46.440 1.00 29.42 H new ATOM 0 HB3 MET A 742 -3.320 -32.686 47.046 1.00 29.42 H new ATOM 0 HG2 MET A 742 -3.434 -34.001 45.190 1.00 27.51 H new ATOM 0 HG3 MET A 742 -4.192 -32.696 44.797 1.00 27.51 H new ATOM 0 HE1 MET A 742 -0.100 -33.795 43.607 1.00 28.06 H new ATOM 0 HE2 MET A 742 -0.855 -34.142 44.956 1.00 28.06 H new ATOM 0 HE3 MET A 742 -1.207 -34.928 43.626 1.00 28.06 H new ATOM 579 N GLY A 743 -5.107 -30.542 47.147 1.00 29.01 N ATOM 580 CA GLY A 743 -6.514 -30.178 47.077 1.00 30.84 C ATOM 581 C GLY A 743 -6.708 -28.689 46.849 1.00 32.01 C ATOM 582 O GLY A 743 -7.624 -28.268 46.130 1.00 31.38 O ATOM 0 H GLY A 743 -4.842 -30.822 47.916 1.00 29.01 H new ATOM 0 HA2 GLY A 743 -6.939 -30.672 46.359 1.00 30.84 H new ATOM 0 HA3 GLY A 743 -6.956 -30.438 47.901 1.00 30.84 H new ATOM 583 N LEU A 744 -5.852 -27.888 47.475 1.00 30.18 N ATOM 584 CA LEU A 744 -5.918 -26.444 47.325 1.00 30.45 C ATOM 585 C LEU A 744 -5.636 -26.053 45.879 1.00 29.31 C ATOM 586 O LEU A 744 -6.384 -25.282 45.277 1.00 30.27 O ATOM 587 CB LEU A 744 -4.889 -25.761 48.235 1.00 31.07 C ATOM 588 CG LEU A 744 -5.161 -25.702 49.742 1.00 32.55 C ATOM 589 CD1 LEU A 744 -3.887 -25.287 50.453 1.00 30.60 C ATOM 590 CD2 LEU A 744 -6.297 -24.713 50.046 1.00 33.16 C ATOM 0 H LEU A 744 -5.224 -28.165 47.993 1.00 30.18 H new ATOM 0 HA LEU A 744 -6.810 -26.155 47.575 1.00 30.45 H new ATOM 0 HB2 LEU A 744 -4.039 -26.211 48.107 1.00 31.07 H new ATOM 0 HB3 LEU A 744 -4.778 -24.850 47.921 1.00 31.07 H new ATOM 0 HG LEU A 744 -5.438 -26.577 50.057 1.00 32.55 H new ATOM 0 HD11 LEU A 744 -4.048 -25.246 51.409 1.00 30.60 H new ATOM 0 HD12 LEU A 744 -3.189 -25.935 50.270 1.00 30.60 H new ATOM 0 HD13 LEU A 744 -3.609 -24.414 50.135 1.00 30.60 H new ATOM 0 HD21 LEU A 744 -6.457 -24.687 51.002 1.00 33.16 H new ATOM 0 HD22 LEU A 744 -6.048 -23.828 49.736 1.00 33.16 H new ATOM 0 HD23 LEU A 744 -7.105 -24.998 49.591 1.00 33.16 H new ATOM 591 N MET A 745 -4.559 -26.593 45.322 1.00 27.51 N ATOM 592 CA MET A 745 -4.168 -26.267 43.962 1.00 27.18 C ATOM 593 C MET A 745 -5.141 -26.759 42.910 1.00 28.58 C ATOM 594 O MET A 745 -5.338 -26.097 41.887 1.00 29.05 O ATOM 595 CB MET A 745 -2.776 -26.816 43.668 1.00 29.23 C ATOM 596 CG MET A 745 -1.679 -26.121 44.457 1.00 29.16 C ATOM 597 SD MET A 745 -0.052 -26.728 44.022 1.00 32.50 S ATOM 598 CE MET A 745 0.918 -26.032 45.399 1.00 24.97 C ATOM 0 H MET A 745 -4.040 -27.153 45.719 1.00 27.51 H new ATOM 0 HA MET A 745 -4.169 -25.298 43.909 1.00 27.18 H new ATOM 0 HB2 MET A 745 -2.760 -27.765 43.870 1.00 29.23 H new ATOM 0 HB3 MET A 745 -2.592 -26.724 42.720 1.00 29.23 H new ATOM 0 HG2 MET A 745 -1.721 -25.166 44.295 1.00 29.16 H new ATOM 0 HG3 MET A 745 -1.830 -26.254 45.406 1.00 29.16 H new ATOM 0 HE1 MET A 745 1.752 -26.520 45.487 1.00 24.97 H new ATOM 0 HE2 MET A 745 1.108 -25.097 45.221 1.00 24.97 H new ATOM 0 HE3 MET A 745 0.411 -26.108 46.223 1.00 24.97 H new ATOM 599 N VAL A 746 -5.736 -27.923 43.146 1.00 30.37 N ATOM 600 CA VAL A 746 -6.709 -28.466 42.208 1.00 29.70 C ATOM 601 C VAL A 746 -7.962 -27.609 42.230 1.00 29.96 C ATOM 602 O VAL A 746 -8.527 -27.289 41.185 1.00 31.49 O ATOM 603 CB VAL A 746 -7.113 -29.894 42.574 1.00 32.14 C ATOM 604 CG1 VAL A 746 -8.334 -30.317 41.738 1.00 31.83 C ATOM 605 CG2 VAL A 746 -5.948 -30.831 42.330 1.00 29.13 C ATOM 0 H VAL A 746 -5.591 -28.411 43.839 1.00 30.37 H new ATOM 0 HA VAL A 746 -6.297 -28.469 41.330 1.00 29.70 H new ATOM 0 HB VAL A 746 -7.352 -29.935 43.513 1.00 32.14 H new ATOM 0 HG11 VAL A 746 -8.588 -31.223 41.972 1.00 31.83 H new ATOM 0 HG12 VAL A 746 -9.074 -29.717 41.919 1.00 31.83 H new ATOM 0 HG13 VAL A 746 -8.110 -30.278 40.795 1.00 31.83 H new ATOM 0 HG21 VAL A 746 -6.206 -31.736 42.563 1.00 29.13 H new ATOM 0 HG22 VAL A 746 -5.696 -30.798 41.394 1.00 29.13 H new ATOM 0 HG23 VAL A 746 -5.194 -30.560 42.877 1.00 29.13 H new ATOM 606 N PHE A 747 -8.385 -27.233 43.430 1.00 30.57 N ATOM 607 CA PHE A 747 -9.588 -26.426 43.607 1.00 31.86 C ATOM 608 C PHE A 747 -9.466 -25.077 42.897 1.00 33.61 C ATOM 609 O PHE A 747 -10.379 -24.662 42.185 1.00 33.71 O ATOM 610 CB PHE A 747 -9.842 -26.207 45.101 1.00 30.10 C ATOM 611 CG PHE A 747 -11.238 -25.757 45.427 1.00 30.37 C ATOM 612 CD1 PHE A 747 -12.325 -26.602 45.210 1.00 31.89 C ATOM 613 CD2 PHE A 747 -11.467 -24.503 45.978 1.00 29.36 C ATOM 614 CE1 PHE A 747 -13.608 -26.208 45.539 1.00 29.37 C ATOM 615 CE2 PHE A 747 -12.748 -24.099 46.311 1.00 30.45 C ATOM 616 CZ PHE A 747 -13.822 -24.955 46.089 1.00 32.15 C ATOM 0 H PHE A 747 -7.985 -27.437 44.164 1.00 30.57 H new ATOM 0 HA PHE A 747 -10.335 -26.903 43.212 1.00 31.86 H new ATOM 0 HB2 PHE A 747 -9.660 -27.034 45.575 1.00 30.10 H new ATOM 0 HB3 PHE A 747 -9.214 -25.546 45.432 1.00 30.10 H new ATOM 0 HD1 PHE A 747 -12.185 -27.443 44.838 1.00 31.89 H new ATOM 0 HD2 PHE A 747 -10.751 -23.928 46.125 1.00 29.36 H new ATOM 0 HE1 PHE A 747 -14.325 -26.782 45.392 1.00 29.37 H new ATOM 0 HE2 PHE A 747 -12.890 -23.258 46.682 1.00 30.45 H new ATOM 0 HZ PHE A 747 -14.684 -24.686 46.310 1.00 32.15 H new ATOM 617 N ALA A 748 -8.338 -24.397 43.099 1.00 33.21 N ATOM 618 CA ALA A 748 -8.102 -23.101 42.476 1.00 32.87 C ATOM 619 C ALA A 748 -7.982 -23.261 40.965 1.00 32.91 C ATOM 620 O ALA A 748 -8.477 -22.431 40.205 1.00 32.48 O ATOM 621 CB ALA A 748 -6.831 -22.466 43.046 1.00 30.79 C ATOM 0 H ALA A 748 -7.694 -24.673 43.598 1.00 33.21 H new ATOM 0 HA ALA A 748 -8.853 -22.518 42.669 1.00 32.87 H new ATOM 0 HB1 ALA A 748 -6.683 -21.605 42.625 1.00 30.79 H new ATOM 0 HB2 ALA A 748 -6.931 -22.345 44.003 1.00 30.79 H new ATOM 0 HB3 ALA A 748 -6.073 -23.045 42.871 1.00 30.79 H new ATOM 622 N MET A 749 -7.328 -24.334 40.532 1.00 33.64 N ATOM 623 CA MET A 749 -7.161 -24.597 39.106 1.00 33.49 C ATOM 624 C MET A 749 -8.543 -24.796 38.504 1.00 35.32 C ATOM 625 O MET A 749 -8.813 -24.353 37.389 1.00 34.93 O ATOM 626 CB MET A 749 -6.321 -25.860 38.899 1.00 33.18 C ATOM 627 CG MET A 749 -5.974 -26.186 37.450 1.00 33.55 C ATOM 628 SD MET A 749 -7.292 -26.968 36.470 1.00 36.17 S ATOM 629 CE MET A 749 -7.360 -28.606 37.215 1.00 34.43 C ATOM 0 H MET A 749 -6.973 -24.923 41.048 1.00 33.64 H new ATOM 0 HA MET A 749 -6.706 -23.854 38.679 1.00 33.49 H new ATOM 0 HB2 MET A 749 -5.496 -25.767 39.400 1.00 33.18 H new ATOM 0 HB3 MET A 749 -6.799 -26.614 39.278 1.00 33.18 H new ATOM 0 HG2 MET A 749 -5.710 -25.365 37.007 1.00 33.55 H new ATOM 0 HG3 MET A 749 -5.201 -26.772 37.445 1.00 33.55 H new ATOM 0 HE1 MET A 749 -7.373 -29.279 36.517 1.00 34.43 H new ATOM 0 HE2 MET A 749 -6.581 -28.739 37.777 1.00 34.43 H new ATOM 0 HE3 MET A 749 -8.163 -28.684 37.753 1.00 34.43 H new ATOM 630 N GLY A 750 -9.410 -25.480 39.252 1.00 35.63 N ATOM 631 CA GLY A 750 -10.759 -25.726 38.789 1.00 35.70 C ATOM 632 C GLY A 750 -11.486 -24.414 38.584 1.00 36.17 C ATOM 633 O GLY A 750 -12.238 -24.257 37.622 1.00 35.57 O ATOM 0 H GLY A 750 -9.230 -25.806 40.027 1.00 35.63 H new ATOM 0 HA2 GLY A 750 -10.737 -26.225 37.958 1.00 35.70 H new ATOM 0 HA3 GLY A 750 -11.236 -26.271 39.435 1.00 35.70 H new ATOM 634 N TRP A 751 -11.252 -23.466 39.488 1.00 36.45 N ATOM 635 CA TRP A 751 -11.886 -22.152 39.413 1.00 37.11 C ATOM 636 C TRP A 751 -11.361 -21.366 38.214 1.00 37.72 C ATOM 637 O TRP A 751 -12.132 -20.724 37.498 1.00 39.48 O ATOM 638 CB TRP A 751 -11.642 -21.385 40.716 1.00 36.64 C ATOM 639 CG TRP A 751 -12.216 -19.996 40.748 1.00 37.29 C ATOM 640 CD1 TRP A 751 -11.533 -18.822 40.585 1.00 36.02 C ATOM 641 CD2 TRP A 751 -13.588 -19.635 40.967 1.00 36.04 C ATOM 642 NE1 TRP A 751 -12.396 -17.753 40.692 1.00 38.24 N ATOM 643 CE2 TRP A 751 -13.661 -18.225 40.925 1.00 36.43 C ATOM 644 CE3 TRP A 751 -14.762 -20.367 41.194 1.00 37.66 C ATOM 645 CZ2 TRP A 751 -14.866 -17.530 41.101 1.00 37.37 C ATOM 646 CZ3 TRP A 751 -15.963 -19.673 41.369 1.00 36.18 C ATOM 647 CH2 TRP A 751 -16.001 -18.269 41.321 1.00 35.66 C ATOM 0 H TRP A 751 -10.724 -23.565 40.159 1.00 36.45 H new ATOM 0 HA TRP A 751 -12.841 -22.270 39.294 1.00 37.11 H new ATOM 0 HB2 TRP A 751 -12.018 -21.894 41.451 1.00 36.64 H new ATOM 0 HB3 TRP A 751 -10.686 -21.330 40.870 1.00 36.64 H new ATOM 0 HD1 TRP A 751 -10.619 -18.755 40.425 1.00 36.02 H new ATOM 0 HE1 TRP A 751 -12.176 -16.924 40.624 1.00 38.24 H new ATOM 0 HE3 TRP A 751 -14.742 -21.296 41.228 1.00 37.66 H new ATOM 0 HZ2 TRP A 751 -14.895 -16.601 41.070 1.00 37.37 H new ATOM 0 HZ3 TRP A 751 -16.749 -20.148 41.519 1.00 36.18 H new ATOM 0 HH2 TRP A 751 -16.813 -17.831 41.441 1.00 35.66 H new ATOM 648 N ARG A 752 -10.051 -21.424 37.988 1.00 37.51 N ATOM 649 CA ARG A 752 -9.444 -20.730 36.857 1.00 36.13 C ATOM 650 C ARG A 752 -10.044 -21.247 35.553 1.00 36.97 C ATOM 651 O ARG A 752 -10.323 -20.473 34.637 1.00 36.75 O ATOM 652 CB ARG A 752 -7.936 -20.971 36.808 1.00 36.32 C ATOM 653 CG ARG A 752 -7.133 -20.309 37.899 1.00 35.50 C ATOM 654 CD ARG A 752 -5.665 -20.266 37.486 1.00 36.47 C ATOM 655 NE ARG A 752 -5.004 -21.572 37.532 1.00 34.24 N ATOM 656 CZ ARG A 752 -4.680 -22.205 38.658 1.00 34.83 C ATOM 657 NH1 ARG A 752 -4.962 -21.661 39.837 1.00 30.16 N ATOM 658 NH2 ARG A 752 -4.051 -23.375 38.608 1.00 35.32 N ATOM 0 H ARG A 752 -9.496 -21.861 38.479 1.00 37.51 H new ATOM 0 HA ARG A 752 -9.617 -19.782 36.966 1.00 36.13 H new ATOM 0 HB2 ARG A 752 -7.776 -21.927 36.846 1.00 36.32 H new ATOM 0 HB3 ARG A 752 -7.603 -20.662 35.951 1.00 36.32 H new ATOM 0 HG2 ARG A 752 -7.462 -19.410 38.058 1.00 35.50 H new ATOM 0 HG3 ARG A 752 -7.232 -20.798 38.731 1.00 35.50 H new ATOM 0 HD2 ARG A 752 -5.600 -19.911 36.586 1.00 36.47 H new ATOM 0 HD3 ARG A 752 -5.191 -19.651 38.068 1.00 36.47 H new ATOM 0 HE ARG A 752 -4.813 -21.954 36.785 1.00 34.24 H new ATOM 0 HH11 ARG A 752 -5.355 -20.897 39.875 1.00 30.16 H new ATOM 0 HH12 ARG A 752 -4.751 -22.073 40.562 1.00 30.16 H new ATOM 0 HH21 ARG A 752 -3.853 -23.724 37.848 1.00 35.32 H new ATOM 0 HH22 ARG A 752 -3.842 -23.783 39.336 1.00 35.32 H new ATOM 659 N SER A 753 -10.218 -22.563 35.470 1.00 35.58 N ATOM 660 CA SER A 753 -10.773 -23.186 34.277 1.00 37.61 C ATOM 661 C SER A 753 -12.198 -22.715 34.037 1.00 38.59 C ATOM 662 O SER A 753 -12.593 -22.416 32.912 1.00 38.32 O ATOM 663 CB SER A 753 -10.749 -24.707 34.416 1.00 36.13 C ATOM 664 OG SER A 753 -9.418 -25.175 34.503 1.00 36.39 O ATOM 0 H SER A 753 -10.019 -23.114 36.099 1.00 35.58 H new ATOM 0 HA SER A 753 -10.228 -22.926 33.518 1.00 37.61 H new ATOM 0 HB2 SER A 753 -11.243 -24.973 35.207 1.00 36.13 H new ATOM 0 HB3 SER A 753 -11.192 -25.114 33.655 1.00 36.13 H new ATOM 0 HG SER A 753 -9.117 -25.023 35.272 1.00 36.39 H new ATOM 665 N PHE A 754 -12.965 -22.653 35.110 1.00 39.89 N ATOM 666 CA PHE A 754 -14.341 -22.216 35.028 1.00 41.99 C ATOM 667 C PHE A 754 -14.429 -20.786 34.520 1.00 43.27 C ATOM 668 O PHE A 754 -15.169 -20.496 33.577 1.00 43.25 O ATOM 669 CB PHE A 754 -15.000 -22.317 36.407 1.00 42.33 C ATOM 670 CG PHE A 754 -16.281 -21.549 36.521 1.00 42.42 C ATOM 671 CD1 PHE A 754 -17.330 -21.778 35.630 1.00 43.98 C ATOM 672 CD2 PHE A 754 -16.441 -20.590 37.514 1.00 42.85 C ATOM 673 CE1 PHE A 754 -18.520 -21.058 35.729 1.00 43.32 C ATOM 674 CE2 PHE A 754 -17.628 -19.866 37.621 1.00 44.42 C ATOM 675 CZ PHE A 754 -18.668 -20.102 36.725 1.00 42.54 C ATOM 0 H PHE A 754 -12.703 -22.862 35.902 1.00 39.89 H new ATOM 0 HA PHE A 754 -14.807 -22.792 34.402 1.00 41.99 H new ATOM 0 HB2 PHE A 754 -15.173 -23.250 36.606 1.00 42.33 H new ATOM 0 HB3 PHE A 754 -14.378 -21.994 37.078 1.00 42.33 H new ATOM 0 HD1 PHE A 754 -17.234 -22.418 34.962 1.00 43.98 H new ATOM 0 HD2 PHE A 754 -15.749 -20.429 38.114 1.00 42.85 H new ATOM 0 HE1 PHE A 754 -19.213 -21.218 35.129 1.00 43.32 H new ATOM 0 HE2 PHE A 754 -17.725 -19.227 38.289 1.00 44.42 H new ATOM 0 HZ PHE A 754 -19.460 -19.620 36.794 1.00 42.54 H new ATOM 676 N THR A 755 -13.658 -19.898 35.137 1.00 44.29 N ATOM 677 CA THR A 755 -13.674 -18.487 34.772 1.00 45.15 C ATOM 678 C THR A 755 -12.950 -18.107 33.478 1.00 46.76 C ATOM 679 O THR A 755 -13.330 -17.136 32.828 1.00 47.71 O ATOM 680 CB THR A 755 -13.084 -17.619 35.905 1.00 44.82 C ATOM 681 OG1 THR A 755 -11.665 -17.816 35.972 1.00 43.59 O ATOM 682 CG2 THR A 755 -13.708 -17.994 37.245 1.00 42.51 C ATOM 0 H THR A 755 -13.115 -20.094 35.774 1.00 44.29 H new ATOM 0 HA THR A 755 -14.617 -18.315 34.621 1.00 45.15 H new ATOM 0 HB THR A 755 -13.279 -16.688 35.716 1.00 44.82 H new ATOM 0 HG1 THR A 755 -11.303 -17.479 35.293 1.00 43.59 H new ATOM 0 HG21 THR A 755 -13.328 -17.441 37.945 1.00 42.51 H new ATOM 0 HG22 THR A 755 -14.667 -17.852 37.207 1.00 42.51 H new ATOM 0 HG23 THR A 755 -13.527 -18.927 37.437 1.00 42.51 H new ATOM 683 N ASN A 756 -11.919 -18.859 33.101 1.00 47.46 N ATOM 684 CA ASN A 756 -11.145 -18.538 31.900 1.00 47.80 C ATOM 685 C ASN A 756 -11.564 -19.207 30.598 1.00 48.79 C ATOM 686 O ASN A 756 -11.387 -18.628 29.526 1.00 48.49 O ATOM 687 CB ASN A 756 -9.662 -18.824 32.145 1.00 48.79 C ATOM 688 CG ASN A 756 -9.008 -17.775 33.014 1.00 51.05 C ATOM 689 OD1 ASN A 756 -9.527 -17.414 34.063 1.00 53.98 O ATOM 690 ND2 ASN A 756 -7.858 -17.280 32.579 1.00 55.45 N ATOM 0 H ASN A 756 -11.650 -19.558 33.524 1.00 47.46 H new ATOM 0 HA ASN A 756 -11.329 -17.596 31.761 1.00 47.80 H new ATOM 0 HB2 ASN A 756 -9.568 -19.693 32.566 1.00 48.79 H new ATOM 0 HB3 ASN A 756 -9.199 -18.869 31.294 1.00 48.79 H new ATOM 0 HD21 ASN A 756 -7.446 -16.681 33.039 1.00 55.45 H new ATOM 0 HD22 ASN A 756 -7.523 -17.558 31.837 1.00 55.45 H new ATOM 691 N VAL A 757 -12.099 -20.421 30.680 1.00 48.34 N ATOM 692 CA VAL A 757 -12.519 -21.140 29.484 1.00 48.30 C ATOM 693 C VAL A 757 -13.769 -21.984 29.723 1.00 48.15 C ATOM 694 O VAL A 757 -13.975 -23.008 29.071 1.00 48.29 O ATOM 695 CB VAL A 757 -11.369 -22.044 28.941 1.00 48.64 C ATOM 696 CG1 VAL A 757 -10.182 -21.179 28.533 1.00 47.20 C ATOM 697 CG2 VAL A 757 -10.929 -23.040 29.998 1.00 48.09 C ATOM 0 H VAL A 757 -12.227 -20.845 31.417 1.00 48.34 H new ATOM 0 HA VAL A 757 -12.737 -20.467 28.821 1.00 48.30 H new ATOM 0 HB VAL A 757 -11.698 -22.531 28.170 1.00 48.64 H new ATOM 0 HG11 VAL A 757 -9.470 -21.745 28.196 1.00 47.20 H new ATOM 0 HG12 VAL A 757 -10.457 -20.558 27.840 1.00 47.20 H new ATOM 0 HG13 VAL A 757 -9.863 -20.683 29.303 1.00 47.20 H new ATOM 0 HG21 VAL A 757 -10.215 -23.593 29.644 1.00 48.09 H new ATOM 0 HG22 VAL A 757 -10.611 -22.563 30.780 1.00 48.09 H new ATOM 0 HG23 VAL A 757 -11.680 -23.602 30.246 1.00 48.09 H new ATOM 698 N ASN A 758 -14.595 -21.541 30.667 1.00 48.82 N ATOM 699 CA ASN A 758 -15.849 -22.215 31.014 1.00 50.25 C ATOM 700 C ASN A 758 -15.721 -23.733 31.174 1.00 50.04 C ATOM 701 O ASN A 758 -16.591 -24.494 30.738 1.00 49.76 O ATOM 702 CB ASN A 758 -16.916 -21.894 29.958 1.00 54.21 C ATOM 703 CG ASN A 758 -18.326 -22.232 30.421 1.00 57.47 C ATOM 704 OD1 ASN A 758 -18.466 -22.609 31.688 1.00 60.30 O flip ATOM 705 ND2 ASN A 758 -19.278 -22.144 29.647 1.00 58.65 N flip ATOM 0 H ASN A 758 -14.443 -20.833 31.131 1.00 48.82 H new ATOM 0 HA ASN A 758 -16.108 -21.873 31.884 1.00 50.25 H new ATOM 0 HB2 ASN A 758 -16.871 -20.951 29.735 1.00 54.21 H new ATOM 0 HB3 ASN A 758 -16.720 -22.387 29.146 1.00 54.21 H new ATOM 0 HD21 ASN A 758 -19.149 -21.897 28.833 1.00 58.65 H new ATOM 0 HD22 ASN A 758 -20.072 -22.330 29.919 1.00 58.65 H new ATOM 706 N SER A 759 -14.627 -24.165 31.796 1.00 48.44 N ATOM 707 CA SER A 759 -14.379 -25.578 32.048 1.00 47.15 C ATOM 708 C SER A 759 -14.119 -26.445 30.817 1.00 47.60 C ATOM 709 O SER A 759 -14.063 -27.671 30.928 1.00 47.66 O ATOM 710 CB SER A 759 -15.545 -26.174 32.837 1.00 45.19 C ATOM 711 OG SER A 759 -15.795 -25.428 34.015 1.00 45.06 O ATOM 0 H SER A 759 -14.007 -23.644 32.084 1.00 48.44 H new ATOM 0 HA SER A 759 -13.550 -25.592 32.551 1.00 47.15 H new ATOM 0 HB2 SER A 759 -16.341 -26.187 32.283 1.00 45.19 H new ATOM 0 HB3 SER A 759 -15.346 -27.094 33.069 1.00 45.19 H new ATOM 0 HG SER A 759 -15.117 -25.451 34.511 1.00 45.06 H new ATOM 712 N ARG A 760 -13.947 -25.835 29.650 1.00 46.91 N ATOM 713 CA ARG A 760 -13.704 -26.629 28.455 1.00 48.80 C ATOM 714 C ARG A 760 -12.342 -27.317 28.479 1.00 46.61 C ATOM 715 O ARG A 760 -12.173 -28.401 27.918 1.00 47.70 O ATOM 716 CB ARG A 760 -13.844 -25.765 27.205 1.00 52.30 C ATOM 717 CG ARG A 760 -15.262 -25.291 26.959 1.00 56.74 C ATOM 718 CD ARG A 760 -15.404 -24.812 25.531 1.00 62.29 C ATOM 719 NE ARG A 760 -15.091 -25.880 24.583 1.00 64.63 N ATOM 720 CZ ARG A 760 -14.906 -25.691 23.280 1.00 67.36 C ATOM 721 NH1 ARG A 760 -15.000 -24.467 22.769 1.00 68.37 N ATOM 722 NH2 ARG A 760 -14.628 -26.721 22.487 1.00 67.28 N ATOM 0 H ARG A 760 -13.966 -24.984 29.530 1.00 46.91 H new ATOM 0 HA ARG A 760 -14.375 -27.329 28.436 1.00 48.80 H new ATOM 0 HB2 ARG A 760 -13.261 -24.994 27.286 1.00 52.30 H new ATOM 0 HB3 ARG A 760 -13.540 -26.270 26.435 1.00 52.30 H new ATOM 0 HG2 ARG A 760 -15.887 -26.013 27.130 1.00 56.74 H new ATOM 0 HG3 ARG A 760 -15.483 -24.573 27.573 1.00 56.74 H new ATOM 0 HD2 ARG A 760 -16.309 -24.498 25.381 1.00 62.29 H new ATOM 0 HD3 ARG A 760 -14.813 -24.058 25.380 1.00 62.29 H new ATOM 0 HE ARG A 760 -15.022 -26.681 24.887 1.00 64.63 H new ATOM 0 HH11 ARG A 760 -15.180 -23.800 23.281 1.00 68.37 H new ATOM 0 HH12 ARG A 760 -14.881 -24.342 21.926 1.00 68.37 H new ATOM 0 HH21 ARG A 760 -14.567 -27.513 22.816 1.00 67.28 H new ATOM 0 HH22 ARG A 760 -14.509 -26.595 21.645 1.00 67.28 H new ATOM 723 N MET A 761 -11.372 -26.689 29.129 1.00 44.33 N ATOM 724 CA MET A 761 -10.036 -27.265 29.247 1.00 44.15 C ATOM 725 C MET A 761 -9.556 -27.027 30.671 1.00 41.15 C ATOM 726 O MET A 761 -10.159 -26.253 31.409 1.00 40.99 O ATOM 727 CB MET A 761 -9.062 -26.602 28.261 1.00 45.10 C ATOM 728 CG MET A 761 -9.390 -26.827 26.791 1.00 47.22 C ATOM 729 SD MET A 761 -8.313 -25.856 25.711 1.00 55.34 S ATOM 730 CE MET A 761 -9.210 -24.266 25.690 1.00 49.70 C ATOM 0 H MET A 761 -11.466 -25.924 29.511 1.00 44.33 H new ATOM 0 HA MET A 761 -10.069 -28.212 29.041 1.00 44.15 H new ATOM 0 HB2 MET A 761 -9.047 -25.648 28.434 1.00 45.10 H new ATOM 0 HB3 MET A 761 -8.168 -26.936 28.435 1.00 45.10 H new ATOM 0 HG2 MET A 761 -9.298 -27.769 26.579 1.00 47.22 H new ATOM 0 HG3 MET A 761 -10.315 -26.588 26.625 1.00 47.22 H new ATOM 0 HE1 MET A 761 -8.732 -23.632 25.133 1.00 49.70 H new ATOM 0 HE2 MET A 761 -10.102 -24.402 25.333 1.00 49.70 H new ATOM 0 HE3 MET A 761 -9.274 -23.918 26.593 1.00 49.70 H new ATOM 731 N LEU A 762 -8.477 -27.695 31.061 1.00 38.99 N ATOM 732 CA LEU A 762 -7.933 -27.512 32.398 1.00 35.97 C ATOM 733 C LEU A 762 -6.898 -26.404 32.322 1.00 35.76 C ATOM 734 O LEU A 762 -5.828 -26.581 31.729 1.00 34.30 O ATOM 735 CB LEU A 762 -7.289 -28.806 32.898 1.00 34.91 C ATOM 736 CG LEU A 762 -8.246 -30.001 33.014 1.00 35.07 C ATOM 737 CD1 LEU A 762 -7.495 -31.204 33.572 1.00 34.28 C ATOM 738 CD2 LEU A 762 -9.419 -29.626 33.917 1.00 33.20 C ATOM 0 H LEU A 762 -8.048 -28.255 30.570 1.00 38.99 H new ATOM 0 HA LEU A 762 -8.639 -27.278 33.020 1.00 35.97 H new ATOM 0 HB2 LEU A 762 -6.565 -29.045 32.298 1.00 34.91 H new ATOM 0 HB3 LEU A 762 -6.893 -28.640 33.768 1.00 34.91 H new ATOM 0 HG LEU A 762 -8.592 -30.234 32.138 1.00 35.07 H new ATOM 0 HD11 LEU A 762 -8.100 -31.958 33.645 1.00 34.28 H new ATOM 0 HD12 LEU A 762 -6.764 -31.433 32.978 1.00 34.28 H new ATOM 0 HD13 LEU A 762 -7.142 -30.987 34.449 1.00 34.28 H new ATOM 0 HD21 LEU A 762 -10.025 -30.380 33.991 1.00 33.20 H new ATOM 0 HD22 LEU A 762 -9.087 -29.390 34.798 1.00 33.20 H new ATOM 0 HD23 LEU A 762 -9.891 -28.869 33.537 1.00 33.20 H new ATOM 739 N TYR A 763 -7.237 -25.260 32.912 1.00 34.07 N ATOM 740 CA TYR A 763 -6.369 -24.085 32.928 1.00 34.59 C ATOM 741 C TYR A 763 -5.359 -24.122 34.085 1.00 33.23 C ATOM 742 O TYR A 763 -5.498 -23.393 35.061 1.00 31.66 O ATOM 743 CB TYR A 763 -7.241 -22.823 33.027 1.00 38.03 C ATOM 744 CG TYR A 763 -6.574 -21.540 32.593 1.00 37.44 C ATOM 745 CD1 TYR A 763 -5.786 -20.803 33.473 1.00 38.95 C ATOM 746 CD2 TYR A 763 -6.735 -21.062 31.293 1.00 40.75 C ATOM 747 CE1 TYR A 763 -5.173 -19.619 33.070 1.00 41.23 C ATOM 748 CE2 TYR A 763 -6.123 -19.879 30.876 1.00 41.57 C ATOM 749 CZ TYR A 763 -5.347 -19.165 31.767 1.00 42.10 C ATOM 750 OH TYR A 763 -4.747 -18.002 31.355 1.00 43.90 O ATOM 0 H TYR A 763 -7.986 -25.143 33.319 1.00 34.07 H new ATOM 0 HA TYR A 763 -5.855 -24.077 32.105 1.00 34.59 H new ATOM 0 HB2 TYR A 763 -8.036 -22.955 32.488 1.00 38.03 H new ATOM 0 HB3 TYR A 763 -7.535 -22.722 33.946 1.00 38.03 H new ATOM 0 HD1 TYR A 763 -5.667 -21.106 34.344 1.00 38.95 H new ATOM 0 HD2 TYR A 763 -7.260 -21.540 30.693 1.00 40.75 H new ATOM 0 HE1 TYR A 763 -4.651 -19.135 33.668 1.00 41.23 H new ATOM 0 HE2 TYR A 763 -6.237 -19.574 30.005 1.00 41.57 H new ATOM 0 HH TYR A 763 -4.940 -17.857 30.551 1.00 43.90 H new ATOM 751 N PHE A 764 -4.345 -24.974 33.968 1.00 34.11 N ATOM 752 CA PHE A 764 -3.315 -25.091 35.007 1.00 34.76 C ATOM 753 C PHE A 764 -2.552 -23.768 35.159 1.00 35.95 C ATOM 754 O PHE A 764 -2.366 -23.269 36.268 1.00 37.16 O ATOM 755 CB PHE A 764 -2.355 -26.229 34.651 1.00 32.05 C ATOM 756 CG PHE A 764 -2.974 -27.606 34.757 1.00 32.01 C ATOM 757 CD1 PHE A 764 -3.216 -28.182 36.001 1.00 29.72 C ATOM 758 CD2 PHE A 764 -3.321 -28.320 33.614 1.00 30.80 C ATOM 759 CE1 PHE A 764 -3.794 -29.453 36.109 1.00 28.82 C ATOM 760 CE2 PHE A 764 -3.901 -29.591 33.707 1.00 31.09 C ATOM 761 CZ PHE A 764 -4.137 -30.159 34.955 1.00 29.28 C ATOM 0 H PHE A 764 -4.232 -25.496 33.294 1.00 34.11 H new ATOM 0 HA PHE A 764 -3.741 -25.291 35.855 1.00 34.76 H new ATOM 0 HB2 PHE A 764 -2.032 -26.097 33.746 1.00 32.05 H new ATOM 0 HB3 PHE A 764 -1.583 -26.185 35.237 1.00 32.05 H new ATOM 0 HD1 PHE A 764 -2.990 -27.715 36.773 1.00 29.72 H new ATOM 0 HD2 PHE A 764 -3.165 -27.948 32.776 1.00 30.80 H new ATOM 0 HE1 PHE A 764 -3.949 -29.825 36.947 1.00 28.82 H new ATOM 0 HE2 PHE A 764 -4.129 -30.056 32.934 1.00 31.09 H new ATOM 0 HZ PHE A 764 -4.521 -31.004 35.020 1.00 29.28 H new ATOM 762 N ALA A 765 -2.135 -23.204 34.029 1.00 36.30 N ATOM 763 CA ALA A 765 -1.410 -21.935 33.981 1.00 37.98 C ATOM 764 C ALA A 765 -1.661 -21.324 32.604 1.00 38.90 C ATOM 765 O ALA A 765 -2.058 -22.023 31.670 1.00 39.70 O ATOM 766 CB ALA A 765 0.083 -22.166 34.178 1.00 37.80 C ATOM 0 H ALA A 765 -2.267 -23.553 33.254 1.00 36.30 H new ATOM 0 HA ALA A 765 -1.715 -21.344 34.687 1.00 37.98 H new ATOM 0 HB1 ALA A 765 0.549 -21.316 34.144 1.00 37.80 H new ATOM 0 HB2 ALA A 765 0.235 -22.583 35.040 1.00 37.80 H new ATOM 0 HB3 ALA A 765 0.416 -22.746 33.476 1.00 37.80 H new ATOM 767 N PRO A 766 -1.434 -20.010 32.457 1.00 40.12 N ATOM 768 CA PRO A 766 -1.662 -19.382 31.155 1.00 40.16 C ATOM 769 C PRO A 766 -0.859 -20.050 30.047 1.00 39.88 C ATOM 770 O PRO A 766 -1.296 -20.089 28.898 1.00 40.71 O ATOM 771 CB PRO A 766 -1.242 -17.941 31.396 1.00 38.39 C ATOM 772 CG PRO A 766 -1.620 -17.737 32.834 1.00 40.13 C ATOM 773 CD PRO A 766 -1.091 -18.995 33.469 1.00 38.98 C ATOM 0 HA PRO A 766 -2.579 -19.459 30.849 1.00 40.16 H new ATOM 0 HB2 PRO A 766 -0.292 -17.811 31.249 1.00 38.39 H new ATOM 0 HB3 PRO A 766 -1.707 -17.325 30.808 1.00 38.39 H new ATOM 0 HG2 PRO A 766 -1.212 -16.941 33.208 1.00 40.13 H new ATOM 0 HG3 PRO A 766 -2.579 -17.646 32.949 1.00 40.13 H new ATOM 0 HD2 PRO A 766 -0.135 -18.948 33.628 1.00 38.98 H new ATOM 0 HD3 PRO A 766 -1.512 -19.176 34.324 1.00 38.98 H new ATOM 774 N ASP A 767 0.307 -20.584 30.404 1.00 40.31 N ATOM 775 CA ASP A 767 1.175 -21.247 29.437 1.00 40.38 C ATOM 776 C ASP A 767 1.095 -22.764 29.495 1.00 39.81 C ATOM 777 O ASP A 767 1.899 -23.461 28.876 1.00 40.90 O ATOM 778 CB ASP A 767 2.629 -20.784 29.624 1.00 42.03 C ATOM 779 CG ASP A 767 3.180 -21.102 30.998 1.00 44.96 C ATOM 780 OD1 ASP A 767 2.444 -20.936 31.992 1.00 48.00 O ATOM 781 OD2 ASP A 767 4.361 -21.502 31.090 1.00 46.41 O ATOM 0 H ASP A 767 0.614 -20.572 31.207 1.00 40.31 H new ATOM 0 HA ASP A 767 0.856 -20.988 28.558 1.00 40.38 H new ATOM 0 HB2 ASP A 767 3.186 -21.206 28.952 1.00 42.03 H new ATOM 0 HB3 ASP A 767 2.680 -19.827 29.474 1.00 42.03 H new ATOM 782 N LEU A 768 0.123 -23.278 30.240 1.00 39.31 N ATOM 783 CA LEU A 768 -0.064 -24.720 30.351 1.00 39.81 C ATOM 784 C LEU A 768 -1.557 -25.016 30.453 1.00 40.19 C ATOM 785 O LEU A 768 -2.094 -25.242 31.542 1.00 39.76 O ATOM 786 CB LEU A 768 0.668 -25.277 31.581 1.00 39.04 C ATOM 787 CG LEU A 768 0.841 -26.802 31.598 1.00 40.27 C ATOM 788 CD1 LEU A 768 1.648 -27.216 30.367 1.00 39.87 C ATOM 789 CD2 LEU A 768 1.551 -27.260 32.878 1.00 39.42 C ATOM 0 H LEU A 768 -0.440 -22.809 30.690 1.00 39.31 H new ATOM 0 HA LEU A 768 0.307 -25.149 29.565 1.00 39.81 H new ATOM 0 HB2 LEU A 768 1.545 -24.865 31.633 1.00 39.04 H new ATOM 0 HB3 LEU A 768 0.182 -25.011 32.377 1.00 39.04 H new ATOM 0 HG LEU A 768 -0.032 -27.224 31.580 1.00 40.27 H new ATOM 0 HD11 LEU A 768 1.765 -28.179 30.365 1.00 39.87 H new ATOM 0 HD12 LEU A 768 1.175 -26.947 29.564 1.00 39.87 H new ATOM 0 HD13 LEU A 768 2.517 -26.785 30.390 1.00 39.87 H new ATOM 0 HD21 LEU A 768 1.649 -28.225 32.866 1.00 39.42 H new ATOM 0 HD22 LEU A 768 2.427 -26.847 32.928 1.00 39.42 H new ATOM 0 HD23 LEU A 768 1.026 -26.998 33.651 1.00 39.42 H new ATOM 790 N VAL A 769 -2.222 -24.984 29.303 1.00 40.30 N ATOM 791 CA VAL A 769 -3.649 -25.255 29.217 1.00 39.92 C ATOM 792 C VAL A 769 -3.819 -26.639 28.612 1.00 38.79 C ATOM 793 O VAL A 769 -3.336 -26.898 27.523 1.00 41.19 O ATOM 794 CB VAL A 769 -4.355 -24.234 28.312 1.00 39.92 C ATOM 795 CG1 VAL A 769 -5.829 -24.565 28.223 1.00 40.99 C ATOM 796 CG2 VAL A 769 -4.140 -22.819 28.851 1.00 37.67 C ATOM 0 H VAL A 769 -1.854 -24.803 28.547 1.00 40.30 H new ATOM 0 HA VAL A 769 -4.040 -25.198 30.103 1.00 39.92 H new ATOM 0 HB VAL A 769 -3.977 -24.276 27.420 1.00 39.92 H new ATOM 0 HG11 VAL A 769 -6.272 -23.919 27.651 1.00 40.99 H new ATOM 0 HG12 VAL A 769 -5.939 -25.454 27.851 1.00 40.99 H new ATOM 0 HG13 VAL A 769 -6.222 -24.534 29.109 1.00 40.99 H new ATOM 0 HG21 VAL A 769 -4.589 -22.181 28.274 1.00 37.67 H new ATOM 0 HG22 VAL A 769 -4.504 -22.755 29.748 1.00 37.67 H new ATOM 0 HG23 VAL A 769 -3.191 -22.622 28.873 1.00 37.67 H new ATOM 797 N PHE A 770 -4.502 -27.526 29.323 1.00 38.18 N ATOM 798 CA PHE A 770 -4.712 -28.884 28.845 1.00 38.03 C ATOM 799 C PHE A 770 -5.961 -29.074 27.991 1.00 39.54 C ATOM 800 O PHE A 770 -7.070 -28.749 28.417 1.00 37.91 O ATOM 801 CB PHE A 770 -4.800 -29.852 30.033 1.00 36.85 C ATOM 802 CG PHE A 770 -3.484 -30.457 30.439 1.00 34.61 C ATOM 803 CD1 PHE A 770 -2.312 -29.707 30.408 1.00 34.94 C ATOM 804 CD2 PHE A 770 -3.426 -31.773 30.888 1.00 33.24 C ATOM 805 CE1 PHE A 770 -1.098 -30.259 30.820 1.00 33.49 C ATOM 806 CE2 PHE A 770 -2.222 -32.331 31.303 1.00 34.55 C ATOM 807 CZ PHE A 770 -1.054 -31.572 31.269 1.00 33.48 C ATOM 0 H PHE A 770 -4.854 -27.360 30.090 1.00 38.18 H new ATOM 0 HA PHE A 770 -3.947 -29.070 28.278 1.00 38.03 H new ATOM 0 HB2 PHE A 770 -5.175 -29.381 30.793 1.00 36.85 H new ATOM 0 HB3 PHE A 770 -5.417 -30.566 29.809 1.00 36.85 H new ATOM 0 HD1 PHE A 770 -2.338 -28.827 30.109 1.00 34.94 H new ATOM 0 HD2 PHE A 770 -4.202 -32.285 30.911 1.00 33.24 H new ATOM 0 HE1 PHE A 770 -0.321 -29.749 30.794 1.00 33.49 H new ATOM 0 HE2 PHE A 770 -2.196 -33.211 31.603 1.00 34.55 H new ATOM 0 HZ PHE A 770 -0.248 -31.944 31.546 1.00 33.48 H new ATOM 808 N ASN A 771 -5.763 -29.596 26.785 1.00 40.12 N ATOM 809 CA ASN A 771 -6.862 -29.925 25.891 1.00 40.96 C ATOM 810 C ASN A 771 -6.940 -31.444 26.022 1.00 41.88 C ATOM 811 O ASN A 771 -6.126 -32.037 26.740 1.00 40.57 O ATOM 812 CB ASN A 771 -6.566 -29.511 24.434 1.00 40.30 C ATOM 813 CG ASN A 771 -5.156 -29.871 23.979 1.00 42.12 C ATOM 814 OD1 ASN A 771 -4.593 -30.903 24.368 1.00 41.80 O ATOM 815 ND2 ASN A 771 -4.587 -29.026 23.125 1.00 40.13 N ATOM 0 H ASN A 771 -4.985 -29.769 26.463 1.00 40.12 H new ATOM 0 HA ASN A 771 -7.686 -29.465 26.115 1.00 40.96 H new ATOM 0 HB2 ASN A 771 -7.208 -29.939 23.846 1.00 40.30 H new ATOM 0 HB3 ASN A 771 -6.693 -28.554 24.344 1.00 40.30 H new ATOM 0 HD21 ASN A 771 -3.799 -29.187 22.822 1.00 40.13 H new ATOM 0 HD22 ASN A 771 -5.007 -28.318 22.876 1.00 40.13 H new ATOM 816 N GLU A 772 -7.898 -32.082 25.351 1.00 42.53 N ATOM 817 CA GLU A 772 -8.037 -33.538 25.454 1.00 41.57 C ATOM 818 C GLU A 772 -6.756 -34.276 25.087 1.00 41.85 C ATOM 819 O GLU A 772 -6.443 -35.312 25.666 1.00 41.90 O ATOM 820 CB GLU A 772 -9.165 -34.039 24.549 1.00 43.99 C ATOM 821 CG GLU A 772 -10.571 -33.706 25.016 1.00 46.11 C ATOM 822 CD GLU A 772 -11.240 -34.851 25.756 1.00 47.52 C ATOM 823 OE1 GLU A 772 -11.215 -35.997 25.254 1.00 46.05 O ATOM 824 OE2 GLU A 772 -11.807 -34.601 26.837 1.00 50.83 O ATOM 0 H GLU A 772 -8.471 -31.699 24.837 1.00 42.53 H new ATOM 0 HA GLU A 772 -8.242 -33.725 26.384 1.00 41.57 H new ATOM 0 HB2 GLU A 772 -9.038 -33.666 23.663 1.00 43.99 H new ATOM 0 HB3 GLU A 772 -9.088 -35.002 24.465 1.00 43.99 H new ATOM 0 HG2 GLU A 772 -10.538 -32.929 25.596 1.00 46.11 H new ATOM 0 HG3 GLU A 772 -11.112 -33.464 24.248 1.00 46.11 H new ATOM 825 N TYR A 773 -6.020 -33.748 24.116 1.00 40.45 N ATOM 826 CA TYR A 773 -4.790 -34.396 23.679 1.00 40.41 C ATOM 827 C TYR A 773 -3.761 -34.468 24.795 1.00 39.79 C ATOM 828 O TYR A 773 -3.157 -35.515 25.032 1.00 39.07 O ATOM 829 CB TYR A 773 -4.183 -33.655 22.491 1.00 39.66 C ATOM 830 CG TYR A 773 -3.014 -34.389 21.891 1.00 42.28 C ATOM 831 CD1 TYR A 773 -3.192 -35.624 21.269 1.00 41.58 C ATOM 832 CD2 TYR A 773 -1.725 -33.857 21.951 1.00 41.98 C ATOM 833 CE1 TYR A 773 -2.118 -36.312 20.719 1.00 42.79 C ATOM 834 CE2 TYR A 773 -0.641 -34.538 21.402 1.00 42.09 C ATOM 835 CZ TYR A 773 -0.845 -35.762 20.788 1.00 42.72 C ATOM 836 OH TYR A 773 0.216 -36.437 20.228 1.00 43.51 O ATOM 0 H TYR A 773 -6.213 -33.021 23.700 1.00 40.45 H new ATOM 0 HA TYR A 773 -5.026 -35.300 23.417 1.00 40.41 H new ATOM 0 HB2 TYR A 773 -4.863 -33.526 21.812 1.00 39.66 H new ATOM 0 HB3 TYR A 773 -3.896 -32.773 22.776 1.00 39.66 H new ATOM 0 HD1 TYR A 773 -4.044 -35.993 21.222 1.00 41.58 H new ATOM 0 HD2 TYR A 773 -1.588 -33.035 22.364 1.00 41.98 H new ATOM 0 HE1 TYR A 773 -2.251 -37.135 20.307 1.00 42.79 H new ATOM 0 HE2 TYR A 773 0.213 -34.173 21.448 1.00 42.09 H new ATOM 0 HH TYR A 773 0.921 -35.994 20.340 1.00 43.51 H new ATOM 837 N ARG A 774 -3.553 -33.345 25.470 1.00 39.28 N ATOM 838 CA ARG A 774 -2.599 -33.297 26.567 1.00 39.05 C ATOM 839 C ARG A 774 -3.095 -34.132 27.738 1.00 39.06 C ATOM 840 O ARG A 774 -2.292 -34.710 28.475 1.00 37.21 O ATOM 841 CB ARG A 774 -2.369 -31.849 26.998 1.00 38.51 C ATOM 842 CG ARG A 774 -1.535 -31.070 26.005 1.00 37.14 C ATOM 843 CD ARG A 774 -1.300 -29.649 26.463 1.00 38.57 C ATOM 844 NE ARG A 774 -0.254 -29.003 25.679 1.00 36.20 N ATOM 845 CZ ARG A 774 0.026 -27.707 25.741 1.00 40.21 C ATOM 846 NH1 ARG A 774 -0.669 -26.913 26.553 1.00 39.35 N ATOM 847 NH2 ARG A 774 1.004 -27.204 24.995 1.00 39.85 N ATOM 0 H ARG A 774 -3.954 -32.601 25.309 1.00 39.28 H new ATOM 0 HA ARG A 774 -1.755 -33.668 26.265 1.00 39.05 H new ATOM 0 HB2 ARG A 774 -3.226 -31.409 27.110 1.00 38.51 H new ATOM 0 HB3 ARG A 774 -1.929 -31.839 27.863 1.00 38.51 H new ATOM 0 HG2 ARG A 774 -0.682 -31.515 25.880 1.00 37.14 H new ATOM 0 HG3 ARG A 774 -1.981 -31.063 25.143 1.00 37.14 H new ATOM 0 HD2 ARG A 774 -2.124 -29.142 26.386 1.00 38.57 H new ATOM 0 HD3 ARG A 774 -1.052 -29.647 27.401 1.00 38.57 H new ATOM 0 HE ARG A 774 0.210 -29.491 25.144 1.00 36.20 H new ATOM 0 HH11 ARG A 774 -1.300 -27.240 27.038 1.00 39.35 H new ATOM 0 HH12 ARG A 774 -0.487 -26.073 26.593 1.00 39.35 H new ATOM 0 HH21 ARG A 774 1.454 -27.718 24.473 1.00 39.85 H new ATOM 0 HH22 ARG A 774 1.186 -26.364 25.034 1.00 39.85 H new ATOM 848 N MET A 775 -4.417 -34.191 27.908 1.00 38.12 N ATOM 849 CA MET A 775 -5.004 -34.982 28.986 1.00 39.01 C ATOM 850 C MET A 775 -4.606 -36.435 28.780 1.00 39.51 C ATOM 851 O MET A 775 -4.306 -37.151 29.734 1.00 40.98 O ATOM 852 CB MET A 775 -6.533 -34.857 28.987 1.00 38.73 C ATOM 853 CG MET A 775 -7.061 -33.591 29.654 1.00 38.38 C ATOM 854 SD MET A 775 -8.850 -33.338 29.427 1.00 39.26 S ATOM 855 CE MET A 775 -9.505 -34.642 30.439 1.00 39.60 C ATOM 0 H MET A 775 -4.987 -33.782 27.411 1.00 38.12 H new ATOM 0 HA MET A 775 -4.678 -34.657 29.840 1.00 39.01 H new ATOM 0 HB2 MET A 775 -6.849 -34.883 28.070 1.00 38.73 H new ATOM 0 HB3 MET A 775 -6.909 -35.629 29.439 1.00 38.73 H new ATOM 0 HG2 MET A 775 -6.865 -33.629 30.603 1.00 38.38 H new ATOM 0 HG3 MET A 775 -6.586 -32.824 29.297 1.00 38.38 H new ATOM 0 HE1 MET A 775 -10.268 -35.044 29.995 1.00 39.60 H new ATOM 0 HE2 MET A 775 -8.822 -35.316 30.581 1.00 39.60 H new ATOM 0 HE3 MET A 775 -9.783 -34.279 31.294 1.00 39.60 H new ATOM 856 N HIS A 776 -4.593 -36.859 27.520 1.00 39.73 N ATOM 857 CA HIS A 776 -4.218 -38.220 27.166 1.00 40.48 C ATOM 858 C HIS A 776 -2.703 -38.447 27.216 1.00 40.95 C ATOM 859 O HIS A 776 -2.235 -39.472 27.710 1.00 40.70 O ATOM 860 CB HIS A 776 -4.713 -38.554 25.763 1.00 43.06 C ATOM 861 CG HIS A 776 -4.313 -39.921 25.299 1.00 45.72 C ATOM 862 ND1 HIS A 776 -5.014 -41.057 25.637 1.00 48.12 N ATOM 863 CD2 HIS A 776 -3.253 -40.336 24.562 1.00 47.29 C ATOM 864 CE1 HIS A 776 -4.404 -42.114 25.125 1.00 48.50 C ATOM 865 NE2 HIS A 776 -3.335 -41.703 24.468 1.00 47.81 N ATOM 0 H HIS A 776 -4.802 -36.365 26.848 1.00 39.73 H new ATOM 0 HA HIS A 776 -4.633 -38.800 27.824 1.00 40.48 H new ATOM 0 HB2 HIS A 776 -5.680 -38.484 25.744 1.00 43.06 H new ATOM 0 HB3 HIS A 776 -4.368 -37.895 25.140 1.00 43.06 H new ATOM 0 HD2 HIS A 776 -2.594 -39.796 24.190 1.00 47.29 H new ATOM 0 HE1 HIS A 776 -4.681 -42.997 25.213 1.00 48.50 H new ATOM 0 HE2 HIS A 776 -2.780 -42.209 24.049 1.00 47.81 H new ATOM 866 N LYS A 777 -1.932 -37.498 26.698 1.00 40.17 N ATOM 867 CA LYS A 777 -0.481 -37.645 26.698 1.00 40.81 C ATOM 868 C LYS A 777 0.116 -37.600 28.110 1.00 40.18 C ATOM 869 O LYS A 777 1.215 -38.106 28.349 1.00 39.16 O ATOM 870 CB LYS A 777 0.165 -36.562 25.826 1.00 42.47 C ATOM 871 CG LYS A 777 -0.205 -36.622 24.342 1.00 43.18 C ATOM 872 CD LYS A 777 0.080 -37.990 23.715 1.00 46.23 C ATOM 873 CE LYS A 777 1.554 -38.380 23.810 1.00 48.22 C ATOM 874 NZ LYS A 777 2.451 -37.382 23.164 1.00 48.50 N ATOM 0 H LYS A 777 -2.224 -36.770 26.346 1.00 40.17 H new ATOM 0 HA LYS A 777 -0.288 -38.521 26.329 1.00 40.81 H new ATOM 0 HB2 LYS A 777 -0.087 -35.692 26.174 1.00 42.47 H new ATOM 0 HB3 LYS A 777 1.129 -36.632 25.908 1.00 42.47 H new ATOM 0 HG2 LYS A 777 -1.147 -36.413 24.239 1.00 43.18 H new ATOM 0 HG3 LYS A 777 0.291 -35.941 23.861 1.00 43.18 H new ATOM 0 HD2 LYS A 777 -0.459 -38.664 24.157 1.00 46.23 H new ATOM 0 HD3 LYS A 777 -0.189 -37.978 22.783 1.00 46.23 H new ATOM 0 HE2 LYS A 777 1.801 -38.476 24.743 1.00 48.22 H new ATOM 0 HE3 LYS A 777 1.684 -39.246 23.392 1.00 48.22 H new ATOM 0 HZ1 LYS A 777 3.281 -37.701 23.139 1.00 48.50 H new ATOM 0 HZ2 LYS A 777 2.170 -37.223 22.335 1.00 48.50 H new ATOM 0 HZ3 LYS A 777 2.438 -36.625 23.631 1.00 48.50 H new ATOM 875 N SER A 778 -0.609 -36.991 29.042 1.00 39.92 N ATOM 876 CA SER A 778 -0.152 -36.881 30.427 1.00 39.23 C ATOM 877 C SER A 778 -0.337 -38.203 31.176 1.00 39.03 C ATOM 878 O SER A 778 0.198 -38.386 32.268 1.00 38.33 O ATOM 879 CB SER A 778 -0.945 -35.797 31.152 1.00 40.45 C ATOM 880 OG SER A 778 -2.291 -36.217 31.328 1.00 40.44 O ATOM 0 H SER A 778 -1.376 -36.631 28.893 1.00 39.92 H new ATOM 0 HA SER A 778 0.791 -36.655 30.410 1.00 39.23 H new ATOM 0 HB2 SER A 778 -0.541 -35.611 32.014 1.00 40.45 H new ATOM 0 HB3 SER A 778 -0.919 -34.972 30.643 1.00 40.45 H new ATOM 0 HG SER A 778 -2.608 -36.458 30.589 1.00 40.44 H new ATOM 881 N ARG A 779 -1.111 -39.109 30.586 1.00 38.68 N ATOM 882 CA ARG A 779 -1.394 -40.416 31.174 1.00 39.72 C ATOM 883 C ARG A 779 -2.217 -40.325 32.462 1.00 39.44 C ATOM 884 O ARG A 779 -2.175 -41.221 33.308 1.00 39.08 O ATOM 885 CB ARG A 779 -0.089 -41.177 31.431 1.00 41.85 C ATOM 886 CG ARG A 779 0.741 -41.399 30.174 1.00 41.86 C ATOM 887 CD ARG A 779 2.034 -42.140 30.467 1.00 44.01 C ATOM 888 NE ARG A 779 2.892 -42.172 29.287 1.00 47.23 N ATOM 889 CZ ARG A 779 4.119 -42.684 29.257 1.00 48.38 C ATOM 890 NH1 ARG A 779 4.648 -43.220 30.350 1.00 49.80 N ATOM 891 NH2 ARG A 779 4.821 -42.648 28.134 1.00 47.14 N ATOM 0 H ARG A 779 -1.491 -38.981 29.825 1.00 38.68 H new ATOM 0 HA ARG A 779 -1.933 -40.902 30.530 1.00 39.72 H new ATOM 0 HB2 ARG A 779 0.441 -40.686 32.078 1.00 41.85 H new ATOM 0 HB3 ARG A 779 -0.297 -42.037 31.829 1.00 41.85 H new ATOM 0 HG2 ARG A 779 0.220 -41.902 29.529 1.00 41.86 H new ATOM 0 HG3 ARG A 779 0.945 -40.542 29.767 1.00 41.86 H new ATOM 0 HD2 ARG A 779 2.500 -41.708 31.200 1.00 44.01 H new ATOM 0 HD3 ARG A 779 1.835 -43.046 30.752 1.00 44.01 H new ATOM 0 HE ARG A 779 2.582 -41.836 28.559 1.00 47.23 H new ATOM 0 HH11 ARG A 779 4.197 -43.237 31.082 1.00 49.80 H new ATOM 0 HH12 ARG A 779 5.442 -43.550 30.326 1.00 49.80 H new ATOM 0 HH21 ARG A 779 4.483 -42.294 27.427 1.00 47.14 H new ATOM 0 HH22 ARG A 779 5.615 -42.978 28.112 1.00 47.14 H new ATOM 892 N MET A 780 -2.952 -39.230 32.617 1.00 38.66 N ATOM 893 CA MET A 780 -3.809 -39.054 33.783 1.00 39.61 C ATOM 894 C MET A 780 -5.108 -38.437 33.303 1.00 37.87 C ATOM 895 O MET A 780 -5.610 -37.462 33.857 1.00 36.52 O ATOM 896 CB MET A 780 -3.137 -38.179 34.853 1.00 43.52 C ATOM 897 CG MET A 780 -2.514 -36.890 34.368 1.00 46.45 C ATOM 898 SD MET A 780 -1.748 -35.970 35.754 1.00 51.78 S ATOM 899 CE MET A 780 -3.077 -34.892 36.241 1.00 49.67 C ATOM 0 H MET A 780 -2.969 -38.577 32.058 1.00 38.66 H new ATOM 0 HA MET A 780 -3.978 -39.911 34.204 1.00 39.61 H new ATOM 0 HB2 MET A 780 -3.798 -37.962 35.529 1.00 43.52 H new ATOM 0 HB3 MET A 780 -2.448 -38.705 35.288 1.00 43.52 H new ATOM 0 HG2 MET A 780 -1.844 -37.084 33.694 1.00 46.45 H new ATOM 0 HG3 MET A 780 -3.191 -36.339 33.944 1.00 46.45 H new ATOM 0 HE1 MET A 780 -2.790 -34.340 36.985 1.00 49.67 H new ATOM 0 HE2 MET A 780 -3.324 -34.325 35.494 1.00 49.67 H new ATOM 0 HE3 MET A 780 -3.843 -35.423 36.510 1.00 49.67 H new ATOM 900 N TYR A 781 -5.648 -39.045 32.254 1.00 37.03 N ATOM 901 CA TYR A 781 -6.880 -38.591 31.652 1.00 37.94 C ATOM 902 C TYR A 781 -8.059 -38.737 32.616 1.00 37.33 C ATOM 903 O TYR A 781 -8.853 -37.807 32.774 1.00 37.83 O ATOM 904 CB TYR A 781 -7.126 -39.376 30.357 1.00 39.93 C ATOM 905 CG TYR A 781 -8.329 -38.920 29.567 1.00 41.57 C ATOM 906 CD1 TYR A 781 -9.620 -39.287 29.945 1.00 41.50 C ATOM 907 CD2 TYR A 781 -8.180 -38.112 28.443 1.00 42.44 C ATOM 908 CE1 TYR A 781 -10.735 -38.860 29.222 1.00 43.10 C ATOM 909 CE2 TYR A 781 -9.289 -37.679 27.713 1.00 44.51 C ATOM 910 CZ TYR A 781 -10.562 -38.056 28.110 1.00 43.12 C ATOM 911 OH TYR A 781 -11.656 -37.617 27.401 1.00 44.42 O ATOM 0 H TYR A 781 -5.304 -39.735 31.874 1.00 37.03 H new ATOM 0 HA TYR A 781 -6.800 -37.647 31.444 1.00 37.94 H new ATOM 0 HB2 TYR A 781 -6.339 -39.305 29.795 1.00 39.93 H new ATOM 0 HB3 TYR A 781 -7.234 -40.315 30.577 1.00 39.93 H new ATOM 0 HD1 TYR A 781 -9.740 -39.826 30.693 1.00 41.50 H new ATOM 0 HD2 TYR A 781 -7.327 -37.856 28.174 1.00 42.44 H new ATOM 0 HE1 TYR A 781 -11.589 -39.115 29.487 1.00 43.10 H new ATOM 0 HE2 TYR A 781 -9.174 -37.140 26.964 1.00 44.51 H new ATOM 0 HH TYR A 781 -11.399 -37.211 26.712 1.00 44.42 H new ATOM 912 N SER A 782 -8.178 -39.888 33.272 1.00 37.42 N ATOM 913 CA SER A 782 -9.294 -40.075 34.199 1.00 39.85 C ATOM 914 C SER A 782 -9.260 -39.033 35.314 1.00 39.52 C ATOM 915 O SER A 782 -10.297 -38.513 35.729 1.00 40.49 O ATOM 916 CB SER A 782 -9.286 -41.493 34.790 1.00 40.92 C ATOM 917 OG SER A 782 -8.005 -41.852 35.277 1.00 43.37 O ATOM 0 H SER A 782 -7.641 -40.556 33.200 1.00 37.42 H new ATOM 0 HA SER A 782 -10.116 -39.958 33.698 1.00 39.85 H new ATOM 0 HB2 SER A 782 -9.933 -41.547 35.511 1.00 40.92 H new ATOM 0 HB3 SER A 782 -9.564 -42.128 34.111 1.00 40.92 H new ATOM 0 HG SER A 782 -7.541 -41.160 35.383 1.00 43.37 H new ATOM 918 N GLN A 783 -8.068 -38.705 35.793 1.00 39.25 N ATOM 919 CA GLN A 783 -7.979 -37.710 36.845 1.00 39.23 C ATOM 920 C GLN A 783 -8.313 -36.329 36.297 1.00 37.84 C ATOM 921 O GLN A 783 -8.962 -35.531 36.974 1.00 36.84 O ATOM 922 CB GLN A 783 -6.591 -37.730 37.482 1.00 40.10 C ATOM 923 CG GLN A 783 -6.315 -39.013 38.245 1.00 38.31 C ATOM 924 CD GLN A 783 -5.424 -39.959 37.482 1.00 40.40 C ATOM 925 OE1 GLN A 783 -5.612 -40.184 36.287 1.00 41.35 O ATOM 926 NE2 GLN A 783 -4.441 -40.524 38.171 1.00 43.78 N ATOM 0 H GLN A 783 -7.319 -39.037 35.531 1.00 39.25 H new ATOM 0 HA GLN A 783 -8.627 -37.925 37.534 1.00 39.23 H new ATOM 0 HB2 GLN A 783 -5.920 -37.619 36.790 1.00 40.10 H new ATOM 0 HB3 GLN A 783 -6.505 -36.975 38.085 1.00 40.10 H new ATOM 0 HG2 GLN A 783 -5.900 -38.797 39.095 1.00 38.31 H new ATOM 0 HG3 GLN A 783 -7.155 -39.455 38.444 1.00 38.31 H new ATOM 0 HE21 GLN A 783 -4.341 -40.342 39.006 1.00 43.78 H new ATOM 0 HE22 GLN A 783 -3.904 -41.072 37.783 1.00 43.78 H new ATOM 927 N CYS A 784 -7.880 -36.045 35.071 1.00 38.16 N ATOM 928 CA CYS A 784 -8.178 -34.751 34.463 1.00 37.75 C ATOM 929 C CYS A 784 -9.688 -34.604 34.288 1.00 36.83 C ATOM 930 O CYS A 784 -10.229 -33.518 34.442 1.00 37.36 O ATOM 931 CB CYS A 784 -7.493 -34.615 33.102 1.00 38.58 C ATOM 932 SG CYS A 784 -5.704 -34.390 33.160 1.00 38.18 S ATOM 0 H CYS A 784 -7.418 -36.580 34.580 1.00 38.16 H new ATOM 0 HA CYS A 784 -7.843 -34.054 35.048 1.00 37.75 H new ATOM 0 HB2 CYS A 784 -7.688 -35.407 32.578 1.00 38.58 H new ATOM 0 HB3 CYS A 784 -7.884 -33.861 32.633 1.00 38.58 H new ATOM 0 HG CYS A 784 -5.176 -35.438 33.410 1.00 38.18 H new ATOM 933 N VAL A 785 -10.358 -35.707 33.964 1.00 39.29 N ATOM 934 CA VAL A 785 -11.807 -35.709 33.775 1.00 41.43 C ATOM 935 C VAL A 785 -12.526 -35.318 35.059 1.00 40.60 C ATOM 936 O VAL A 785 -13.488 -34.551 35.038 1.00 41.71 O ATOM 937 CB VAL A 785 -12.314 -37.107 33.334 1.00 44.69 C ATOM 938 CG1 VAL A 785 -13.825 -37.202 33.511 1.00 44.59 C ATOM 939 CG2 VAL A 785 -11.949 -37.355 31.884 1.00 45.29 C ATOM 0 H VAL A 785 -9.987 -36.474 33.848 1.00 39.29 H new ATOM 0 HA VAL A 785 -12.001 -35.060 33.081 1.00 41.43 H new ATOM 0 HB VAL A 785 -11.891 -37.781 33.889 1.00 44.69 H new ATOM 0 HG11 VAL A 785 -14.129 -38.080 33.232 1.00 44.59 H new ATOM 0 HG12 VAL A 785 -14.051 -37.063 34.444 1.00 44.59 H new ATOM 0 HG13 VAL A 785 -14.258 -36.523 32.970 1.00 44.59 H new ATOM 0 HG21 VAL A 785 -12.269 -38.230 31.615 1.00 45.29 H new ATOM 0 HG22 VAL A 785 -12.359 -36.676 31.326 1.00 45.29 H new ATOM 0 HG23 VAL A 785 -10.985 -37.318 31.782 1.00 45.29 H new ATOM 940 N ARG A 786 -12.068 -35.856 36.181 1.00 39.93 N ATOM 941 CA ARG A 786 -12.692 -35.526 37.450 1.00 40.37 C ATOM 942 C ARG A 786 -12.427 -34.058 37.765 1.00 39.75 C ATOM 943 O ARG A 786 -13.311 -33.350 38.249 1.00 39.31 O ATOM 944 CB ARG A 786 -12.147 -36.424 38.560 1.00 41.74 C ATOM 945 CG ARG A 786 -12.324 -37.910 38.273 1.00 44.90 C ATOM 946 CD ARG A 786 -12.064 -38.753 39.499 1.00 45.69 C ATOM 947 NE ARG A 786 -13.029 -38.461 40.556 1.00 49.36 N ATOM 948 CZ ARG A 786 -13.052 -39.062 41.743 1.00 50.85 C ATOM 949 NH1 ARG A 786 -12.161 -40.000 42.042 1.00 50.93 N ATOM 950 NH2 ARG A 786 -13.974 -38.728 42.632 1.00 53.25 N ATOM 0 H ARG A 786 -11.408 -36.405 36.229 1.00 39.93 H new ATOM 0 HA ARG A 786 -13.649 -35.674 37.391 1.00 40.37 H new ATOM 0 HB2 ARG A 786 -11.204 -36.235 38.687 1.00 41.74 H new ATOM 0 HB3 ARG A 786 -12.594 -36.206 39.393 1.00 41.74 H new ATOM 0 HG2 ARG A 786 -13.225 -38.073 37.954 1.00 44.90 H new ATOM 0 HG3 ARG A 786 -11.719 -38.177 37.563 1.00 44.90 H new ATOM 0 HD2 ARG A 786 -12.112 -39.693 39.264 1.00 45.69 H new ATOM 0 HD3 ARG A 786 -11.165 -38.587 39.824 1.00 45.69 H new ATOM 0 HE ARG A 786 -13.623 -37.859 40.400 1.00 49.36 H new ATOM 0 HH11 ARG A 786 -11.563 -40.224 41.466 1.00 50.93 H new ATOM 0 HH12 ARG A 786 -12.182 -40.384 42.811 1.00 50.93 H new ATOM 0 HH21 ARG A 786 -14.556 -38.124 42.442 1.00 53.25 H new ATOM 0 HH22 ARG A 786 -13.991 -39.115 43.400 1.00 53.25 H new ATOM 951 N MET A 787 -11.216 -33.588 37.468 1.00 37.69 N ATOM 952 CA MET A 787 -10.896 -32.193 37.736 1.00 36.32 C ATOM 953 C MET A 787 -11.779 -31.294 36.886 1.00 36.53 C ATOM 954 O MET A 787 -12.254 -30.258 37.358 1.00 35.45 O ATOM 955 CB MET A 787 -9.413 -31.905 37.465 1.00 36.05 C ATOM 956 CG MET A 787 -8.465 -32.571 38.465 1.00 36.33 C ATOM 957 SD MET A 787 -6.739 -32.040 38.302 1.00 36.42 S ATOM 958 CE MET A 787 -6.171 -33.124 37.005 1.00 30.75 C ATOM 0 H MET A 787 -10.581 -34.050 37.119 1.00 37.69 H new ATOM 0 HA MET A 787 -11.065 -32.011 38.674 1.00 36.32 H new ATOM 0 HB2 MET A 787 -9.191 -32.207 36.570 1.00 36.05 H new ATOM 0 HB3 MET A 787 -9.269 -30.946 37.484 1.00 36.05 H new ATOM 0 HG2 MET A 787 -8.770 -32.378 39.365 1.00 36.33 H new ATOM 0 HG3 MET A 787 -8.511 -33.533 38.350 1.00 36.33 H new ATOM 0 HE1 MET A 787 -5.228 -33.313 37.131 1.00 30.75 H new ATOM 0 HE2 MET A 787 -6.673 -33.953 37.033 1.00 30.75 H new ATOM 0 HE3 MET A 787 -6.303 -32.696 36.145 1.00 30.75 H new ATOM 959 N ARG A 788 -12.009 -31.687 35.636 1.00 36.47 N ATOM 960 CA ARG A 788 -12.860 -30.893 34.759 1.00 37.85 C ATOM 961 C ARG A 788 -14.293 -30.940 35.299 1.00 37.69 C ATOM 962 O ARG A 788 -15.032 -29.959 35.232 1.00 39.34 O ATOM 963 CB ARG A 788 -12.813 -31.432 33.327 1.00 38.42 C ATOM 964 CG ARG A 788 -13.404 -30.469 32.287 1.00 43.72 C ATOM 965 CD ARG A 788 -13.266 -30.999 30.858 1.00 44.80 C ATOM 966 NE ARG A 788 -14.420 -31.790 30.440 1.00 49.46 N ATOM 967 CZ ARG A 788 -15.629 -31.282 30.206 1.00 52.75 C ATOM 968 NH1 ARG A 788 -15.843 -29.978 30.349 1.00 51.38 N ATOM 969 NH2 ARG A 788 -16.630 -32.074 29.829 1.00 54.32 N ATOM 0 H ARG A 788 -11.686 -32.401 35.281 1.00 36.47 H new ATOM 0 HA ARG A 788 -12.543 -29.976 34.740 1.00 37.85 H new ATOM 0 HB2 ARG A 788 -11.892 -31.624 33.092 1.00 38.42 H new ATOM 0 HB3 ARG A 788 -13.296 -32.272 33.290 1.00 38.42 H new ATOM 0 HG2 ARG A 788 -14.342 -30.319 32.485 1.00 43.72 H new ATOM 0 HG3 ARG A 788 -12.959 -29.610 32.355 1.00 43.72 H new ATOM 0 HD2 ARG A 788 -13.152 -30.253 30.249 1.00 44.80 H new ATOM 0 HD3 ARG A 788 -12.465 -31.542 30.794 1.00 44.80 H new ATOM 0 HE ARG A 788 -14.312 -32.637 30.338 1.00 49.46 H new ATOM 0 HH11 ARG A 788 -15.200 -29.461 30.593 1.00 51.38 H new ATOM 0 HH12 ARG A 788 -16.624 -29.651 30.198 1.00 51.38 H new ATOM 0 HH21 ARG A 788 -16.498 -32.919 29.735 1.00 54.32 H new ATOM 0 HH22 ARG A 788 -17.409 -31.741 29.679 1.00 54.32 H new ATOM 970 N HIS A 789 -14.682 -32.086 35.838 1.00 40.08 N ATOM 971 CA HIS A 789 -16.018 -32.238 36.407 1.00 42.46 C ATOM 972 C HIS A 789 -16.153 -31.264 37.589 1.00 41.79 C ATOM 973 O HIS A 789 -17.145 -30.542 37.714 1.00 41.59 O ATOM 974 CB HIS A 789 -16.210 -33.688 36.862 1.00 45.09 C ATOM 975 CG HIS A 789 -17.604 -34.013 37.297 1.00 49.18 C ATOM 976 ND1 HIS A 789 -18.091 -33.686 38.545 1.00 51.43 N ATOM 977 CD2 HIS A 789 -18.618 -34.636 36.648 1.00 49.77 C ATOM 978 CE1 HIS A 789 -19.344 -34.096 38.647 1.00 52.60 C ATOM 979 NE2 HIS A 789 -19.688 -34.675 37.510 1.00 51.04 N ATOM 0 H HIS A 789 -14.190 -32.790 35.886 1.00 40.08 H new ATOM 0 HA HIS A 789 -16.701 -32.035 35.749 1.00 42.46 H new ATOM 0 HB2 HIS A 789 -15.962 -34.280 36.135 1.00 45.09 H new ATOM 0 HB3 HIS A 789 -15.602 -33.870 37.596 1.00 45.09 H new ATOM 0 HD2 HIS A 789 -18.594 -34.974 35.782 1.00 49.77 H new ATOM 0 HE1 HIS A 789 -19.891 -33.994 39.393 1.00 52.60 H new ATOM 0 HE2 HIS A 789 -20.457 -35.020 37.337 1.00 51.04 H new ATOM 980 N LEU A 790 -15.144 -31.239 38.454 1.00 40.13 N ATOM 981 CA LEU A 790 -15.155 -30.328 39.593 1.00 38.92 C ATOM 982 C LEU A 790 -15.296 -28.905 39.069 1.00 38.65 C ATOM 983 O LEU A 790 -16.049 -28.091 39.610 1.00 38.44 O ATOM 984 CB LEU A 790 -13.853 -30.460 40.387 1.00 38.71 C ATOM 985 CG LEU A 790 -13.512 -29.321 41.351 1.00 38.35 C ATOM 986 CD1 LEU A 790 -14.609 -29.181 42.410 1.00 39.21 C ATOM 987 CD2 LEU A 790 -12.162 -29.596 41.999 1.00 39.36 C ATOM 0 H LEU A 790 -14.447 -31.739 38.400 1.00 40.13 H new ATOM 0 HA LEU A 790 -15.896 -30.544 40.180 1.00 38.92 H new ATOM 0 HB2 LEU A 790 -13.892 -31.285 40.896 1.00 38.71 H new ATOM 0 HB3 LEU A 790 -13.122 -30.550 39.756 1.00 38.71 H new ATOM 0 HG LEU A 790 -13.459 -28.485 40.862 1.00 38.35 H new ATOM 0 HD11 LEU A 790 -14.384 -28.457 43.016 1.00 39.21 H new ATOM 0 HD12 LEU A 790 -15.455 -28.988 41.976 1.00 39.21 H new ATOM 0 HD13 LEU A 790 -14.684 -30.009 42.910 1.00 39.21 H new ATOM 0 HD21 LEU A 790 -11.944 -28.875 42.611 1.00 39.36 H new ATOM 0 HD22 LEU A 790 -12.202 -30.433 42.487 1.00 39.36 H new ATOM 0 HD23 LEU A 790 -11.479 -29.655 41.312 1.00 39.36 H new ATOM 988 N SER A 791 -14.555 -28.609 38.009 1.00 37.98 N ATOM 989 CA SER A 791 -14.597 -27.293 37.390 1.00 37.93 C ATOM 990 C SER A 791 -16.014 -26.953 36.930 1.00 38.90 C ATOM 991 O SER A 791 -16.473 -25.819 37.071 1.00 37.36 O ATOM 992 CB SER A 791 -13.662 -27.254 36.187 1.00 36.29 C ATOM 993 OG SER A 791 -13.777 -26.011 35.517 1.00 39.75 O ATOM 0 H SER A 791 -14.017 -29.162 37.630 1.00 37.98 H new ATOM 0 HA SER A 791 -14.314 -26.641 38.050 1.00 37.93 H new ATOM 0 HB2 SER A 791 -12.746 -27.389 36.476 1.00 36.29 H new ATOM 0 HB3 SER A 791 -13.877 -27.978 35.578 1.00 36.29 H new ATOM 0 HG SER A 791 -13.377 -25.417 35.957 1.00 39.75 H new ATOM 994 N GLN A 792 -16.697 -27.944 36.370 1.00 39.19 N ATOM 995 CA GLN A 792 -18.052 -27.748 35.884 1.00 41.76 C ATOM 996 C GLN A 792 -19.004 -27.403 37.019 1.00 42.47 C ATOM 997 O GLN A 792 -19.902 -26.572 36.845 1.00 42.65 O ATOM 998 CB GLN A 792 -18.515 -28.996 35.126 1.00 42.00 C ATOM 999 CG GLN A 792 -17.872 -29.105 33.743 1.00 44.55 C ATOM 1000 CD GLN A 792 -18.180 -30.412 33.037 1.00 45.13 C ATOM 1001 OE1 GLN A 792 -17.559 -31.442 33.307 1.00 47.36 O ATOM 1002 NE2 GLN A 792 -19.146 -30.377 32.132 1.00 43.39 N ATOM 0 H GLN A 792 -16.391 -28.740 36.263 1.00 39.19 H new ATOM 0 HA GLN A 792 -18.057 -26.994 35.273 1.00 41.76 H new ATOM 0 HB2 GLN A 792 -18.298 -29.786 35.645 1.00 42.00 H new ATOM 0 HB3 GLN A 792 -19.480 -28.975 35.031 1.00 42.00 H new ATOM 0 HG2 GLN A 792 -18.178 -28.368 33.192 1.00 44.55 H new ATOM 0 HG3 GLN A 792 -16.911 -29.012 33.832 1.00 44.55 H new ATOM 0 HE21 GLN A 792 -19.557 -29.639 31.970 1.00 43.39 H new ATOM 0 HE22 GLN A 792 -19.362 -31.092 31.706 1.00 43.39 H new ATOM 1003 N GLU A 793 -18.796 -28.025 38.180 1.00 42.22 N ATOM 1004 CA GLU A 793 -19.627 -27.766 39.357 1.00 41.47 C ATOM 1005 C GLU A 793 -19.660 -26.272 39.697 1.00 39.98 C ATOM 1006 O GLU A 793 -20.704 -25.746 40.072 1.00 41.03 O ATOM 1007 CB GLU A 793 -19.098 -28.532 40.572 1.00 42.68 C ATOM 1008 CG GLU A 793 -19.104 -30.045 40.449 1.00 47.63 C ATOM 1009 CD GLU A 793 -20.430 -30.683 40.837 1.00 52.07 C ATOM 1010 OE1 GLU A 793 -20.444 -31.922 41.017 1.00 55.39 O ATOM 1011 OE2 GLU A 793 -21.450 -29.961 40.960 1.00 50.66 O ATOM 0 H GLU A 793 -18.174 -28.605 38.307 1.00 42.22 H new ATOM 0 HA GLU A 793 -20.525 -28.065 39.144 1.00 41.47 H new ATOM 0 HB2 GLU A 793 -18.189 -28.242 40.746 1.00 42.68 H new ATOM 0 HB3 GLU A 793 -19.628 -28.285 41.346 1.00 42.68 H new ATOM 0 HG2 GLU A 793 -18.892 -30.288 39.534 1.00 47.63 H new ATOM 0 HG3 GLU A 793 -18.402 -30.410 41.010 1.00 47.63 H new ATOM 1012 N PHE A 794 -18.525 -25.585 39.586 1.00 38.31 N ATOM 1013 CA PHE A 794 -18.503 -24.153 39.892 1.00 37.12 C ATOM 1014 C PHE A 794 -19.596 -23.447 39.109 1.00 37.63 C ATOM 1015 O PHE A 794 -20.159 -22.456 39.566 1.00 36.45 O ATOM 1016 CB PHE A 794 -17.145 -23.524 39.548 1.00 36.65 C ATOM 1017 CG PHE A 794 -16.052 -23.856 40.528 1.00 36.82 C ATOM 1018 CD1 PHE A 794 -16.148 -23.461 41.859 1.00 36.18 C ATOM 1019 CD2 PHE A 794 -14.930 -24.570 40.121 1.00 36.39 C ATOM 1020 CE1 PHE A 794 -15.135 -23.774 42.776 1.00 37.44 C ATOM 1021 CE2 PHE A 794 -13.910 -24.887 41.032 1.00 37.28 C ATOM 1022 CZ PHE A 794 -14.016 -24.489 42.357 1.00 35.10 C ATOM 0 H PHE A 794 -17.771 -25.919 39.341 1.00 38.31 H new ATOM 0 HA PHE A 794 -18.653 -24.049 40.845 1.00 37.12 H new ATOM 0 HB2 PHE A 794 -16.876 -23.821 38.665 1.00 36.65 H new ATOM 0 HB3 PHE A 794 -17.247 -22.560 39.505 1.00 36.65 H new ATOM 0 HD1 PHE A 794 -16.894 -22.983 42.144 1.00 36.18 H new ATOM 0 HD2 PHE A 794 -14.855 -24.841 39.234 1.00 36.39 H new ATOM 0 HE1 PHE A 794 -15.210 -23.505 43.663 1.00 37.44 H new ATOM 0 HE2 PHE A 794 -13.164 -25.363 40.748 1.00 37.28 H new ATOM 0 HZ PHE A 794 -13.342 -24.699 42.963 1.00 35.10 H new ATOM 1023 N GLY A 795 -19.883 -23.962 37.919 1.00 38.88 N ATOM 1024 CA GLY A 795 -20.923 -23.381 37.093 1.00 39.85 C ATOM 1025 C GLY A 795 -22.279 -23.958 37.465 1.00 40.12 C ATOM 1026 O GLY A 795 -23.233 -23.223 37.699 1.00 40.09 O ATOM 0 H GLY A 795 -19.487 -24.644 37.576 1.00 38.88 H new ATOM 0 HA2 GLY A 795 -20.933 -22.418 37.205 1.00 39.85 H new ATOM 0 HA3 GLY A 795 -20.736 -23.556 36.157 1.00 39.85 H new ATOM 1027 N TRP A 796 -22.363 -25.281 37.534 1.00 39.97 N ATOM 1028 CA TRP A 796 -23.621 -25.929 37.874 1.00 42.47 C ATOM 1029 C TRP A 796 -24.209 -25.433 39.195 1.00 44.15 C ATOM 1030 O TRP A 796 -25.425 -25.470 39.380 1.00 43.84 O ATOM 1031 CB TRP A 796 -23.450 -27.456 37.925 1.00 40.63 C ATOM 1032 CG TRP A 796 -23.140 -28.064 36.592 1.00 40.88 C ATOM 1033 CD1 TRP A 796 -23.535 -27.597 35.366 1.00 41.25 C ATOM 1034 CD2 TRP A 796 -22.401 -29.270 36.341 1.00 39.02 C ATOM 1035 NE1 TRP A 796 -23.087 -28.434 34.372 1.00 40.95 N ATOM 1036 CE2 TRP A 796 -22.390 -29.469 34.940 1.00 39.67 C ATOM 1037 CE3 TRP A 796 -21.750 -30.201 37.162 1.00 38.10 C ATOM 1038 CZ2 TRP A 796 -21.749 -30.565 34.339 1.00 38.36 C ATOM 1039 CZ3 TRP A 796 -21.109 -31.293 36.564 1.00 38.61 C ATOM 1040 CH2 TRP A 796 -21.115 -31.461 35.164 1.00 36.72 C ATOM 0 H TRP A 796 -21.707 -25.818 37.388 1.00 39.97 H new ATOM 0 HA TRP A 796 -24.247 -25.692 37.171 1.00 42.47 H new ATOM 0 HB2 TRP A 796 -22.738 -27.675 38.546 1.00 40.63 H new ATOM 0 HB3 TRP A 796 -24.263 -27.854 38.274 1.00 40.63 H new ATOM 0 HD1 TRP A 796 -24.034 -26.825 35.226 1.00 41.25 H new ATOM 0 HE1 TRP A 796 -23.222 -28.326 33.530 1.00 40.95 H new ATOM 0 HE3 TRP A 796 -21.744 -30.096 38.086 1.00 38.10 H new ATOM 0 HZ2 TRP A 796 -21.754 -30.680 33.416 1.00 38.36 H new ATOM 0 HZ3 TRP A 796 -20.673 -31.917 37.098 1.00 38.61 H new ATOM 0 HH2 TRP A 796 -20.680 -32.194 34.792 1.00 36.72 H new ATOM 1041 N LEU A 797 -23.354 -24.957 40.103 1.00 44.16 N ATOM 1042 CA LEU A 797 -23.819 -24.464 41.402 1.00 42.02 C ATOM 1043 C LEU A 797 -23.800 -22.950 41.527 1.00 40.37 C ATOM 1044 O LEU A 797 -24.219 -22.408 42.548 1.00 41.28 O ATOM 1045 CB LEU A 797 -22.970 -25.062 42.530 1.00 43.76 C ATOM 1046 CG LEU A 797 -23.041 -26.576 42.733 1.00 43.40 C ATOM 1047 CD1 LEU A 797 -21.984 -27.011 43.731 1.00 43.88 C ATOM 1048 CD2 LEU A 797 -24.429 -26.963 43.219 1.00 44.48 C ATOM 0 H LEU A 797 -22.503 -24.911 39.987 1.00 44.16 H new ATOM 0 HA LEU A 797 -24.744 -24.747 41.474 1.00 42.02 H new ATOM 0 HB2 LEU A 797 -22.044 -24.824 42.367 1.00 43.76 H new ATOM 0 HB3 LEU A 797 -23.231 -24.635 43.361 1.00 43.76 H new ATOM 0 HG LEU A 797 -22.872 -27.024 41.890 1.00 43.40 H new ATOM 0 HD11 LEU A 797 -22.033 -27.972 43.856 1.00 43.88 H new ATOM 0 HD12 LEU A 797 -21.105 -26.773 43.396 1.00 43.88 H new ATOM 0 HD13 LEU A 797 -22.137 -26.566 44.579 1.00 43.88 H new ATOM 0 HD21 LEU A 797 -24.471 -27.924 43.347 1.00 44.48 H new ATOM 0 HD22 LEU A 797 -24.614 -26.517 44.060 1.00 44.48 H new ATOM 0 HD23 LEU A 797 -25.089 -26.696 42.560 1.00 44.48 H new ATOM 1049 N GLN A 798 -23.324 -22.262 40.496 1.00 40.05 N ATOM 1050 CA GLN A 798 -23.242 -20.805 40.548 1.00 42.51 C ATOM 1051 C GLN A 798 -22.451 -20.355 41.778 1.00 41.80 C ATOM 1052 O GLN A 798 -22.907 -19.516 42.553 1.00 41.50 O ATOM 1053 CB GLN A 798 -24.642 -20.175 40.577 1.00 45.34 C ATOM 1054 CG GLN A 798 -25.209 -19.850 39.195 1.00 50.89 C ATOM 1055 CD GLN A 798 -26.599 -19.225 39.251 1.00 51.23 C ATOM 1056 OE1 GLN A 798 -26.846 -18.287 40.012 1.00 53.13 O ATOM 1057 NE2 GLN A 798 -27.506 -19.737 38.435 1.00 50.26 N ATOM 0 H GLN A 798 -23.045 -22.614 39.763 1.00 40.05 H new ATOM 0 HA GLN A 798 -22.783 -20.507 39.747 1.00 42.51 H new ATOM 0 HB2 GLN A 798 -25.249 -20.780 41.031 1.00 45.34 H new ATOM 0 HB3 GLN A 798 -24.609 -19.360 41.102 1.00 45.34 H new ATOM 0 HG2 GLN A 798 -24.606 -19.243 38.738 1.00 50.89 H new ATOM 0 HG3 GLN A 798 -25.247 -20.663 38.667 1.00 50.89 H new ATOM 0 HE21 GLN A 798 -27.298 -20.392 37.917 1.00 50.26 H new ATOM 0 HE22 GLN A 798 -28.303 -19.415 38.422 1.00 50.26 H new ATOM 1058 N ILE A 799 -21.266 -20.928 41.954 1.00 39.87 N ATOM 1059 CA ILE A 799 -20.406 -20.573 43.075 1.00 38.94 C ATOM 1060 C ILE A 799 -19.937 -19.125 42.937 1.00 39.56 C ATOM 1061 O ILE A 799 -19.429 -18.722 41.891 1.00 37.57 O ATOM 1062 CB ILE A 799 -19.174 -21.498 43.129 1.00 37.30 C ATOM 1063 CG1 ILE A 799 -19.627 -22.936 43.415 1.00 34.82 C ATOM 1064 CG2 ILE A 799 -18.177 -20.987 44.158 1.00 36.85 C ATOM 1065 CD1 ILE A 799 -20.526 -23.075 44.639 1.00 34.51 C ATOM 0 H ILE A 799 -20.940 -21.528 41.432 1.00 39.87 H new ATOM 0 HA ILE A 799 -20.917 -20.676 43.893 1.00 38.94 H new ATOM 0 HB ILE A 799 -18.720 -21.497 42.272 1.00 37.30 H new ATOM 0 HG12 ILE A 799 -20.099 -23.276 42.639 1.00 34.82 H new ATOM 0 HG13 ILE A 799 -18.843 -23.494 43.537 1.00 34.82 H new ATOM 0 HG21 ILE A 799 -17.407 -21.576 44.183 1.00 36.85 H new ATOM 0 HG22 ILE A 799 -17.891 -20.092 43.916 1.00 36.85 H new ATOM 0 HG23 ILE A 799 -18.596 -20.966 45.032 1.00 36.85 H new ATOM 0 HD11 ILE A 799 -20.771 -24.006 44.757 1.00 34.51 H new ATOM 0 HD12 ILE A 799 -20.052 -22.764 45.426 1.00 34.51 H new ATOM 0 HD13 ILE A 799 -21.328 -22.543 44.514 1.00 34.51 H new ATOM 1066 N THR A 800 -20.123 -18.340 43.991 1.00 40.67 N ATOM 1067 CA THR A 800 -19.710 -16.947 43.965 1.00 43.06 C ATOM 1068 C THR A 800 -18.224 -16.851 44.272 1.00 43.17 C ATOM 1069 O THR A 800 -17.663 -17.710 44.944 1.00 42.66 O ATOM 1070 CB THR A 800 -20.446 -16.117 45.020 1.00 43.98 C ATOM 1071 OG1 THR A 800 -20.049 -16.560 46.323 1.00 46.49 O ATOM 1072 CG2 THR A 800 -21.953 -16.269 44.869 1.00 44.29 C ATOM 0 H THR A 800 -20.486 -18.595 44.728 1.00 40.67 H new ATOM 0 HA THR A 800 -19.916 -16.604 43.082 1.00 43.06 H new ATOM 0 HB THR A 800 -20.218 -15.182 44.901 1.00 43.98 H new ATOM 0 HG1 THR A 800 -20.230 -15.966 46.888 1.00 46.49 H new ATOM 0 HG21 THR A 800 -22.401 -15.737 45.545 1.00 44.29 H new ATOM 0 HG22 THR A 800 -22.222 -15.966 43.988 1.00 44.29 H new ATOM 0 HG23 THR A 800 -22.197 -17.201 44.978 1.00 44.29 H new ATOM 1073 N PRO A 801 -17.564 -15.802 43.767 1.00 44.46 N ATOM 1074 CA PRO A 801 -16.129 -15.618 44.013 1.00 44.46 C ATOM 1075 C PRO A 801 -15.825 -15.639 45.514 1.00 45.13 C ATOM 1076 O PRO A 801 -14.752 -16.059 45.935 1.00 48.28 O ATOM 1077 CB PRO A 801 -15.850 -14.255 43.386 1.00 44.23 C ATOM 1078 CG PRO A 801 -16.835 -14.218 42.237 1.00 43.10 C ATOM 1079 CD PRO A 801 -18.090 -14.763 42.863 1.00 40.59 C ATOM 0 HA PRO A 801 -15.574 -16.320 43.639 1.00 44.46 H new ATOM 0 HB2 PRO A 801 -16.000 -13.531 44.014 1.00 44.23 H new ATOM 0 HB3 PRO A 801 -14.933 -14.179 43.079 1.00 44.23 H new ATOM 0 HG2 PRO A 801 -16.962 -13.318 41.900 1.00 43.10 H new ATOM 0 HG3 PRO A 801 -16.539 -14.762 41.490 1.00 43.10 H new ATOM 0 HD2 PRO A 801 -18.581 -14.079 43.345 1.00 40.59 H new ATOM 0 HD3 PRO A 801 -18.694 -15.132 42.200 1.00 40.59 H new ATOM 1080 N GLN A 802 -16.785 -15.184 46.314 1.00 45.10 N ATOM 1081 CA GLN A 802 -16.635 -15.142 47.760 1.00 43.66 C ATOM 1082 C GLN A 802 -16.736 -16.536 48.374 1.00 43.21 C ATOM 1083 O GLN A 802 -15.987 -16.870 49.296 1.00 41.49 O ATOM 1084 CB GLN A 802 -17.703 -14.232 48.378 1.00 46.01 C ATOM 1085 CG GLN A 802 -17.635 -12.766 47.936 1.00 49.77 C ATOM 1086 CD GLN A 802 -17.870 -12.579 46.443 1.00 49.55 C ATOM 1087 OE1 GLN A 802 -18.850 -13.078 45.895 1.00 51.37 O ATOM 1088 NE2 GLN A 802 -16.973 -11.851 45.782 1.00 48.65 N ATOM 0 H GLN A 802 -17.542 -14.891 46.031 1.00 45.10 H new ATOM 0 HA GLN A 802 -15.753 -14.787 47.952 1.00 43.66 H new ATOM 0 HB2 GLN A 802 -18.579 -14.584 48.153 1.00 46.01 H new ATOM 0 HB3 GLN A 802 -17.622 -14.269 49.344 1.00 46.01 H new ATOM 0 HG2 GLN A 802 -18.296 -12.255 48.428 1.00 49.77 H new ATOM 0 HG3 GLN A 802 -16.766 -12.404 48.169 1.00 49.77 H new ATOM 0 HE21 GLN A 802 -16.299 -11.517 46.199 1.00 48.65 H new ATOM 0 HE22 GLN A 802 -17.068 -11.715 44.938 1.00 48.65 H new ATOM 1089 N GLU A 803 -17.670 -17.343 47.873 1.00 39.35 N ATOM 1090 CA GLU A 803 -17.836 -18.704 48.373 1.00 35.97 C ATOM 1091 C GLU A 803 -16.574 -19.470 47.980 1.00 35.01 C ATOM 1092 O GLU A 803 -16.050 -20.278 48.752 1.00 36.61 O ATOM 1093 CB GLU A 803 -19.072 -19.370 47.750 1.00 35.72 C ATOM 1094 CG GLU A 803 -20.414 -18.717 48.103 1.00 35.51 C ATOM 1095 CD GLU A 803 -21.593 -19.336 47.334 1.00 37.58 C ATOM 1096 OE1 GLU A 803 -21.460 -19.578 46.112 1.00 37.64 O ATOM 1097 OE2 GLU A 803 -22.655 -19.573 47.945 1.00 36.31 O ATOM 0 H GLU A 803 -18.215 -17.122 47.246 1.00 39.35 H new ATOM 0 HA GLU A 803 -17.965 -18.702 49.334 1.00 35.97 H new ATOM 0 HB2 GLU A 803 -18.971 -19.367 46.785 1.00 35.72 H new ATOM 0 HB3 GLU A 803 -19.097 -20.298 48.030 1.00 35.72 H new ATOM 0 HG2 GLU A 803 -20.572 -18.805 49.056 1.00 35.51 H new ATOM 0 HG3 GLU A 803 -20.369 -17.768 47.909 1.00 35.51 H new ATOM 1098 N PHE A 804 -16.081 -19.204 46.777 1.00 31.71 N ATOM 1099 CA PHE A 804 -14.869 -19.860 46.312 1.00 33.55 C ATOM 1100 C PHE A 804 -13.733 -19.605 47.302 1.00 33.84 C ATOM 1101 O PHE A 804 -13.131 -20.545 47.816 1.00 33.38 O ATOM 1102 CB PHE A 804 -14.461 -19.338 44.934 1.00 30.19 C ATOM 1103 CG PHE A 804 -13.021 -19.624 44.586 1.00 32.40 C ATOM 1104 CD1 PHE A 804 -12.600 -20.921 44.312 1.00 29.03 C ATOM 1105 CD2 PHE A 804 -12.078 -18.595 44.574 1.00 29.76 C ATOM 1106 CE1 PHE A 804 -11.261 -21.195 44.033 1.00 30.53 C ATOM 1107 CE2 PHE A 804 -10.734 -18.860 44.294 1.00 28.11 C ATOM 1108 CZ PHE A 804 -10.327 -20.161 44.024 1.00 26.14 C ATOM 0 H PHE A 804 -16.431 -18.651 46.219 1.00 31.71 H new ATOM 0 HA PHE A 804 -15.044 -20.812 46.246 1.00 33.55 H new ATOM 0 HB2 PHE A 804 -15.035 -19.738 44.262 1.00 30.19 H new ATOM 0 HB3 PHE A 804 -14.610 -18.380 44.901 1.00 30.19 H new ATOM 0 HD1 PHE A 804 -13.219 -21.615 44.315 1.00 29.03 H new ATOM 0 HD2 PHE A 804 -12.347 -17.723 44.754 1.00 29.76 H new ATOM 0 HE1 PHE A 804 -10.992 -22.067 43.853 1.00 30.53 H new ATOM 0 HE2 PHE A 804 -10.114 -18.167 44.288 1.00 28.11 H new ATOM 0 HZ PHE A 804 -9.434 -20.341 43.838 1.00 26.14 H new ATOM 1109 N LEU A 805 -13.452 -18.331 47.568 1.00 33.21 N ATOM 1110 CA LEU A 805 -12.383 -17.950 48.489 1.00 34.07 C ATOM 1111 C LEU A 805 -12.489 -18.616 49.855 1.00 35.22 C ATOM 1112 O LEU A 805 -11.504 -19.149 50.361 1.00 35.84 O ATOM 1113 CB LEU A 805 -12.359 -16.432 48.689 1.00 33.02 C ATOM 1114 CG LEU A 805 -11.951 -15.568 47.499 1.00 33.08 C ATOM 1115 CD1 LEU A 805 -12.179 -14.103 47.849 1.00 34.36 C ATOM 1116 CD2 LEU A 805 -10.500 -15.829 47.134 1.00 33.98 C ATOM 0 H LEU A 805 -13.873 -17.666 47.222 1.00 33.21 H new ATOM 0 HA LEU A 805 -11.562 -18.257 48.074 1.00 34.07 H new ATOM 0 HB2 LEU A 805 -13.245 -16.154 48.971 1.00 33.02 H new ATOM 0 HB3 LEU A 805 -11.754 -16.237 49.422 1.00 33.02 H new ATOM 0 HG LEU A 805 -12.492 -15.793 46.726 1.00 33.08 H new ATOM 0 HD11 LEU A 805 -11.922 -13.547 47.097 1.00 34.36 H new ATOM 0 HD12 LEU A 805 -13.117 -13.960 48.050 1.00 34.36 H new ATOM 0 HD13 LEU A 805 -11.643 -13.868 48.623 1.00 34.36 H new ATOM 0 HD21 LEU A 805 -10.252 -15.275 46.377 1.00 33.98 H new ATOM 0 HD22 LEU A 805 -9.932 -15.615 47.891 1.00 33.98 H new ATOM 0 HD23 LEU A 805 -10.388 -16.764 46.900 1.00 33.98 H new ATOM 1117 N CYS A 806 -13.676 -18.580 50.456 1.00 33.24 N ATOM 1118 CA CYS A 806 -13.863 -19.180 51.771 1.00 34.50 C ATOM 1119 C CYS A 806 -13.696 -20.689 51.760 1.00 34.18 C ATOM 1120 O CYS A 806 -13.109 -21.260 52.682 1.00 32.75 O ATOM 1121 CB CYS A 806 -15.235 -18.818 52.339 1.00 32.46 C ATOM 1122 SG ACYS A 806 -15.385 -19.102 54.124 0.50 33.48 S ATOM 1123 SG BCYS A 806 -15.386 -17.070 52.706 0.50 38.57 S ATOM 0 H CYS A 806 -14.380 -18.216 50.121 1.00 33.24 H new ATOM 0 HA CYS A 806 -13.167 -18.815 52.339 1.00 34.50 H new ATOM 0 HB2ACYS A 806 -15.417 -17.884 52.152 0.50 32.46 H new ATOM 0 HB2BCYS A 806 -15.922 -19.073 51.704 0.50 32.46 H new ATOM 0 HB3ACYS A 806 -15.913 -19.337 51.879 0.50 32.46 H new ATOM 0 HB3BCYS A 806 -15.392 -19.330 53.148 0.50 32.46 H new ATOM 0 HG ACYS A 806 -16.162 -18.316 54.591 0.50 38.57 H new ATOM 0 HG BCYS A 806 -16.285 -16.900 53.482 0.50 38.57 H new ATOM 1124 N MET A 807 -14.221 -21.335 50.721 1.00 35.27 N ATOM 1125 CA MET A 807 -14.102 -22.779 50.603 1.00 33.92 C ATOM 1126 C MET A 807 -12.643 -23.157 50.423 1.00 33.11 C ATOM 1127 O MET A 807 -12.191 -24.161 50.969 1.00 32.40 O ATOM 1128 CB MET A 807 -14.916 -23.305 49.411 1.00 33.81 C ATOM 1129 CG MET A 807 -16.428 -23.331 49.641 1.00 35.55 C ATOM 1130 SD MET A 807 -17.308 -24.175 48.293 1.00 38.01 S ATOM 1131 CE MET A 807 -17.350 -22.902 47.108 1.00 34.19 C ATOM 0 H MET A 807 -14.647 -20.955 50.078 1.00 35.27 H new ATOM 0 HA MET A 807 -14.451 -23.180 51.414 1.00 33.92 H new ATOM 0 HB2 MET A 807 -14.727 -22.753 48.636 1.00 33.81 H new ATOM 0 HB3 MET A 807 -14.616 -24.203 49.200 1.00 33.81 H new ATOM 0 HG2 MET A 807 -16.619 -23.778 50.480 1.00 35.55 H new ATOM 0 HG3 MET A 807 -16.758 -22.422 49.722 1.00 35.55 H new ATOM 0 HE1 MET A 807 -17.281 -23.285 46.219 1.00 34.19 H new ATOM 0 HE2 MET A 807 -18.185 -22.414 47.186 1.00 34.19 H new ATOM 0 HE3 MET A 807 -16.607 -22.296 47.257 1.00 34.19 H new ATOM 1132 N LYS A 808 -11.904 -22.357 49.657 1.00 33.11 N ATOM 1133 CA LYS A 808 -10.499 -22.662 49.426 1.00 32.80 C ATOM 1134 C LYS A 808 -9.730 -22.556 50.732 1.00 33.35 C ATOM 1135 O LYS A 808 -8.889 -23.405 51.035 1.00 32.57 O ATOM 1136 CB LYS A 808 -9.891 -21.734 48.366 1.00 32.93 C ATOM 1137 CG LYS A 808 -8.456 -22.124 47.980 1.00 31.02 C ATOM 1138 CD LYS A 808 -8.005 -21.482 46.662 1.00 32.41 C ATOM 1139 CE LYS A 808 -7.971 -19.958 46.732 1.00 32.02 C ATOM 1140 NZ LYS A 808 -7.100 -19.486 47.848 1.00 33.80 N ATOM 0 H LYS A 808 -12.192 -21.646 49.269 1.00 33.11 H new ATOM 0 HA LYS A 808 -10.435 -23.570 49.090 1.00 32.80 H new ATOM 0 HB2 LYS A 808 -10.449 -21.748 47.573 1.00 32.93 H new ATOM 0 HB3 LYS A 808 -9.895 -20.823 48.700 1.00 32.93 H new ATOM 0 HG2 LYS A 808 -7.850 -21.858 48.689 1.00 31.02 H new ATOM 0 HG3 LYS A 808 -8.396 -23.089 47.903 1.00 31.02 H new ATOM 0 HD2 LYS A 808 -7.122 -21.811 46.431 1.00 32.41 H new ATOM 0 HD3 LYS A 808 -8.605 -21.756 45.951 1.00 32.41 H new ATOM 0 HE2 LYS A 808 -7.645 -19.601 45.891 1.00 32.02 H new ATOM 0 HE3 LYS A 808 -8.871 -19.618 46.855 1.00 32.02 H new ATOM 0 HZ1 LYS A 808 -6.591 -18.813 47.564 1.00 33.80 H new ATOM 0 HZ2 LYS A 808 -7.608 -19.208 48.524 1.00 33.80 H new ATOM 0 HZ3 LYS A 808 -6.581 -20.155 48.123 1.00 33.80 H new ATOM 1141 N ALA A 809 -10.026 -21.521 51.510 1.00 33.64 N ATOM 1142 CA ALA A 809 -9.369 -21.342 52.802 1.00 34.69 C ATOM 1143 C ALA A 809 -9.645 -22.588 53.660 1.00 35.49 C ATOM 1144 O ALA A 809 -8.725 -23.199 54.216 1.00 34.44 O ATOM 1145 CB ALA A 809 -9.904 -20.090 53.492 1.00 33.06 C ATOM 0 H ALA A 809 -10.601 -20.913 51.311 1.00 33.64 H new ATOM 0 HA ALA A 809 -8.413 -21.232 52.680 1.00 34.69 H new ATOM 0 HB1 ALA A 809 -9.463 -19.979 54.349 1.00 33.06 H new ATOM 0 HB2 ALA A 809 -9.730 -19.314 52.936 1.00 33.06 H new ATOM 0 HB3 ALA A 809 -10.860 -20.180 53.630 1.00 33.06 H new ATOM 1146 N LEU A 810 -10.913 -22.980 53.735 1.00 33.74 N ATOM 1147 CA LEU A 810 -11.302 -24.148 54.523 1.00 33.91 C ATOM 1148 C LEU A 810 -10.584 -25.436 54.077 1.00 32.91 C ATOM 1149 O LEU A 810 -10.325 -26.320 54.896 1.00 33.79 O ATOM 1150 CB LEU A 810 -12.826 -24.320 54.471 1.00 33.14 C ATOM 1151 CG LEU A 810 -13.485 -25.307 55.433 1.00 38.90 C ATOM 1152 CD1 LEU A 810 -13.015 -25.068 56.863 1.00 36.68 C ATOM 1153 CD2 LEU A 810 -15.000 -25.132 55.345 1.00 39.94 C ATOM 0 H LEU A 810 -11.565 -22.584 53.337 1.00 33.74 H new ATOM 0 HA LEU A 810 -11.025 -23.990 55.439 1.00 33.91 H new ATOM 0 HB2 LEU A 810 -13.226 -23.449 54.623 1.00 33.14 H new ATOM 0 HB3 LEU A 810 -13.061 -24.587 53.569 1.00 33.14 H new ATOM 0 HG LEU A 810 -13.237 -26.211 55.186 1.00 38.90 H new ATOM 0 HD11 LEU A 810 -13.445 -25.704 57.456 1.00 36.68 H new ATOM 0 HD12 LEU A 810 -12.053 -25.181 56.911 1.00 36.68 H new ATOM 0 HD13 LEU A 810 -13.248 -24.166 57.134 1.00 36.68 H new ATOM 0 HD21 LEU A 810 -15.433 -25.753 55.951 1.00 39.94 H new ATOM 0 HD22 LEU A 810 -15.236 -24.224 55.590 1.00 39.94 H new ATOM 0 HD23 LEU A 810 -15.294 -25.308 54.438 1.00 39.94 H new ATOM 1154 N LEU A 811 -10.245 -25.547 52.795 1.00 29.94 N ATOM 1155 CA LEU A 811 -9.534 -26.738 52.323 1.00 30.85 C ATOM 1156 C LEU A 811 -8.138 -26.909 52.948 1.00 30.55 C ATOM 1157 O LEU A 811 -7.604 -28.017 52.972 1.00 32.48 O ATOM 1158 CB LEU A 811 -9.391 -26.724 50.796 1.00 31.58 C ATOM 1159 CG LEU A 811 -10.622 -27.118 49.977 1.00 32.21 C ATOM 1160 CD1 LEU A 811 -10.352 -26.890 48.491 1.00 29.83 C ATOM 1161 CD2 LEU A 811 -10.963 -28.578 50.253 1.00 28.37 C ATOM 0 H LEU A 811 -10.412 -24.958 52.191 1.00 29.94 H new ATOM 0 HA LEU A 811 -10.078 -27.489 52.606 1.00 30.85 H new ATOM 0 HB2 LEU A 811 -9.124 -25.831 50.527 1.00 31.58 H new ATOM 0 HB3 LEU A 811 -8.666 -27.322 50.556 1.00 31.58 H new ATOM 0 HG LEU A 811 -11.379 -26.568 50.233 1.00 32.21 H new ATOM 0 HD11 LEU A 811 -11.135 -27.141 47.977 1.00 29.83 H new ATOM 0 HD12 LEU A 811 -10.153 -25.953 48.338 1.00 29.83 H new ATOM 0 HD13 LEU A 811 -9.596 -27.431 48.213 1.00 29.83 H new ATOM 0 HD21 LEU A 811 -11.743 -28.832 49.735 1.00 28.37 H new ATOM 0 HD22 LEU A 811 -10.212 -29.139 50.002 1.00 28.37 H new ATOM 0 HD23 LEU A 811 -11.151 -28.694 51.198 1.00 28.37 H new ATOM 1162 N LEU A 812 -7.541 -25.824 53.437 1.00 30.47 N ATOM 1163 CA LEU A 812 -6.216 -25.902 54.072 1.00 29.80 C ATOM 1164 C LEU A 812 -6.321 -26.595 55.434 1.00 30.56 C ATOM 1165 O LEU A 812 -5.341 -27.133 55.950 1.00 31.65 O ATOM 1166 CB LEU A 812 -5.637 -24.496 54.275 1.00 28.92 C ATOM 1167 CG LEU A 812 -4.349 -24.419 55.119 1.00 32.26 C ATOM 1168 CD1 LEU A 812 -3.165 -25.050 54.358 1.00 29.59 C ATOM 1169 CD2 LEU A 812 -4.053 -22.971 55.456 1.00 28.15 C ATOM 0 H LEU A 812 -7.881 -25.034 53.414 1.00 30.47 H new ATOM 0 HA LEU A 812 -5.632 -26.413 53.490 1.00 29.80 H new ATOM 0 HB2 LEU A 812 -5.457 -24.109 53.404 1.00 28.92 H new ATOM 0 HB3 LEU A 812 -6.314 -23.943 54.696 1.00 28.92 H new ATOM 0 HG LEU A 812 -4.477 -24.917 55.941 1.00 32.26 H new ATOM 0 HD11 LEU A 812 -2.364 -24.994 54.902 1.00 29.59 H new ATOM 0 HD12 LEU A 812 -3.361 -25.981 54.168 1.00 29.59 H new ATOM 0 HD13 LEU A 812 -3.024 -24.573 53.525 1.00 29.59 H new ATOM 0 HD21 LEU A 812 -3.243 -22.921 55.987 1.00 28.15 H new ATOM 0 HD22 LEU A 812 -3.934 -22.466 54.637 1.00 28.15 H new ATOM 0 HD23 LEU A 812 -4.793 -22.598 55.960 1.00 28.15 H new ATOM 1170 N PHE A 813 -7.518 -26.569 56.013 1.00 30.43 N ATOM 1171 CA PHE A 813 -7.780 -27.173 57.315 1.00 28.95 C ATOM 1172 C PHE A 813 -8.687 -28.386 57.173 1.00 29.46 C ATOM 1173 O PHE A 813 -9.503 -28.670 58.057 1.00 26.99 O ATOM 1174 CB PHE A 813 -8.457 -26.138 58.216 1.00 32.24 C ATOM 1175 CG PHE A 813 -7.723 -24.826 58.271 1.00 35.60 C ATOM 1176 CD1 PHE A 813 -6.466 -24.743 58.873 1.00 35.00 C ATOM 1177 CD2 PHE A 813 -8.262 -23.684 57.679 1.00 34.00 C ATOM 1178 CE1 PHE A 813 -5.757 -23.546 58.882 1.00 36.10 C ATOM 1179 CE2 PHE A 813 -7.563 -22.479 57.680 1.00 34.31 C ATOM 1180 CZ PHE A 813 -6.306 -22.409 58.282 1.00 37.04 C ATOM 0 H PHE A 813 -8.207 -26.197 55.658 1.00 30.43 H new ATOM 0 HA PHE A 813 -6.939 -27.460 57.704 1.00 28.95 H new ATOM 0 HB2 PHE A 813 -9.360 -25.983 57.898 1.00 32.24 H new ATOM 0 HB3 PHE A 813 -8.530 -26.498 59.114 1.00 32.24 H new ATOM 0 HD1 PHE A 813 -6.098 -25.498 59.273 1.00 35.00 H new ATOM 0 HD2 PHE A 813 -9.100 -23.728 57.278 1.00 34.00 H new ATOM 0 HE1 PHE A 813 -4.920 -23.502 59.286 1.00 36.10 H new ATOM 0 HE2 PHE A 813 -7.932 -21.724 57.281 1.00 34.31 H new ATOM 0 HZ PHE A 813 -5.834 -21.607 58.284 1.00 37.04 H new ATOM 1181 N SER A 814 -8.538 -29.108 56.069 1.00 29.67 N ATOM 1182 CA SER A 814 -9.390 -30.263 55.814 1.00 31.85 C ATOM 1183 C SER A 814 -8.710 -31.622 55.757 1.00 32.30 C ATOM 1184 O SER A 814 -9.320 -32.595 55.321 1.00 33.00 O ATOM 1185 CB SER A 814 -10.170 -30.041 54.519 1.00 28.88 C ATOM 1186 OG SER A 814 -11.038 -28.938 54.672 1.00 31.44 O ATOM 0 H SER A 814 -7.954 -28.948 55.458 1.00 29.67 H new ATOM 0 HA SER A 814 -9.963 -30.311 56.595 1.00 31.85 H new ATOM 0 HB2 SER A 814 -9.557 -29.882 53.784 1.00 28.88 H new ATOM 0 HB3 SER A 814 -10.679 -30.836 54.297 1.00 28.88 H new ATOM 0 HG SER A 814 -10.586 -28.232 54.735 1.00 31.44 H new ATOM 1187 N ILE A 815 -7.461 -31.700 56.192 1.00 33.35 N ATOM 1188 CA ILE A 815 -6.756 -32.980 56.184 1.00 35.88 C ATOM 1189 C ILE A 815 -5.680 -33.019 57.270 1.00 36.35 C ATOM 1190 O ILE A 815 -4.714 -32.260 57.232 1.00 37.29 O ATOM 1191 CB ILE A 815 -6.138 -33.260 54.793 1.00 36.35 C ATOM 1192 CG1 ILE A 815 -5.290 -34.533 54.831 1.00 41.62 C ATOM 1193 CG2 ILE A 815 -5.307 -32.088 54.356 1.00 40.20 C ATOM 1194 CD1 ILE A 815 -4.769 -34.952 53.453 1.00 42.40 C ATOM 0 H ILE A 815 -7.006 -31.035 56.493 1.00 33.35 H new ATOM 0 HA ILE A 815 -7.402 -33.678 56.375 1.00 35.88 H new ATOM 0 HB ILE A 815 -6.855 -33.391 54.153 1.00 36.35 H new ATOM 0 HG12 ILE A 815 -4.537 -34.395 55.427 1.00 41.62 H new ATOM 0 HG13 ILE A 815 -5.819 -35.256 55.204 1.00 41.62 H new ATOM 0 HG21 ILE A 815 -4.923 -32.270 53.484 1.00 40.20 H new ATOM 0 HG22 ILE A 815 -5.865 -31.297 54.304 1.00 40.20 H new ATOM 0 HG23 ILE A 815 -4.595 -31.939 54.998 1.00 40.20 H new ATOM 0 HD11 ILE A 815 -4.241 -35.761 53.539 1.00 42.40 H new ATOM 0 HD12 ILE A 815 -5.519 -35.117 52.860 1.00 42.40 H new ATOM 0 HD13 ILE A 815 -4.217 -34.244 53.086 1.00 42.40 H new ATOM 1195 N ILE A 816 -5.865 -33.904 58.248 1.00 36.80 N ATOM 1196 CA ILE A 816 -4.926 -34.033 59.363 1.00 37.62 C ATOM 1197 C ILE A 816 -4.621 -35.480 59.742 1.00 37.34 C ATOM 1198 O ILE A 816 -5.387 -36.391 59.425 1.00 34.35 O ATOM 1199 CB ILE A 816 -5.473 -33.326 60.622 1.00 39.69 C ATOM 1200 CG1 ILE A 816 -6.826 -33.927 61.009 1.00 38.21 C ATOM 1201 CG2 ILE A 816 -5.609 -31.826 60.365 1.00 41.51 C ATOM 1202 CD1 ILE A 816 -7.451 -33.281 62.216 1.00 41.72 C ATOM 0 H ILE A 816 -6.534 -34.444 58.285 1.00 36.80 H new ATOM 0 HA ILE A 816 -4.106 -33.619 59.052 1.00 37.62 H new ATOM 0 HB ILE A 816 -4.852 -33.458 61.355 1.00 39.69 H new ATOM 0 HG12 ILE A 816 -7.434 -33.846 60.257 1.00 38.21 H new ATOM 0 HG13 ILE A 816 -6.713 -34.875 61.181 1.00 38.21 H new ATOM 0 HG21 ILE A 816 -5.953 -31.391 61.161 1.00 41.51 H new ATOM 0 HG22 ILE A 816 -4.740 -31.455 60.144 1.00 41.51 H new ATOM 0 HG23 ILE A 816 -6.220 -31.678 59.626 1.00 41.51 H new ATOM 0 HD11 ILE A 816 -8.302 -33.706 62.407 1.00 41.72 H new ATOM 0 HD12 ILE A 816 -6.861 -33.382 62.979 1.00 41.72 H new ATOM 0 HD13 ILE A 816 -7.594 -32.338 62.041 1.00 41.72 H new ATOM 1203 N PRO A 817 -3.487 -35.712 60.427 1.00 40.41 N ATOM 1204 CA PRO A 817 -3.147 -37.083 60.822 1.00 40.47 C ATOM 1205 C PRO A 817 -4.177 -37.580 61.822 1.00 41.30 C ATOM 1206 O PRO A 817 -4.685 -36.804 62.639 1.00 41.25 O ATOM 1207 CB PRO A 817 -1.759 -36.934 61.440 1.00 39.73 C ATOM 1208 CG PRO A 817 -1.802 -35.570 62.025 1.00 41.23 C ATOM 1209 CD PRO A 817 -2.476 -34.764 60.924 1.00 41.09 C ATOM 0 HA PRO A 817 -3.146 -37.727 60.097 1.00 40.47 H new ATOM 0 HB2 PRO A 817 -1.592 -37.610 62.115 1.00 39.73 H new ATOM 0 HB3 PRO A 817 -1.058 -37.018 60.775 1.00 39.73 H new ATOM 0 HG2 PRO A 817 -2.309 -35.547 62.852 1.00 41.23 H new ATOM 0 HG3 PRO A 817 -0.914 -35.235 62.227 1.00 41.23 H new ATOM 0 HD2 PRO A 817 -2.878 -33.950 61.264 1.00 41.09 H new ATOM 0 HD3 PRO A 817 -1.851 -34.503 60.230 1.00 41.09 H new ATOM 1210 N VAL A 818 -4.495 -38.866 61.756 1.00 42.71 N ATOM 1211 CA VAL A 818 -5.479 -39.432 62.672 1.00 44.00 C ATOM 1212 C VAL A 818 -4.993 -39.360 64.126 1.00 43.77 C ATOM 1213 O VAL A 818 -5.805 -39.335 65.051 1.00 42.97 O ATOM 1214 CB VAL A 818 -5.822 -40.890 62.282 1.00 45.94 C ATOM 1215 CG1 VAL A 818 -6.917 -41.435 63.191 1.00 48.73 C ATOM 1216 CG2 VAL A 818 -6.281 -40.933 60.838 1.00 43.02 C ATOM 0 H VAL A 818 -4.158 -39.424 61.195 1.00 42.71 H new ATOM 0 HA VAL A 818 -6.287 -38.900 62.601 1.00 44.00 H new ATOM 0 HB VAL A 818 -5.030 -41.441 62.385 1.00 45.94 H new ATOM 0 HG11 VAL A 818 -7.123 -42.348 62.938 1.00 48.73 H new ATOM 0 HG12 VAL A 818 -6.613 -41.416 64.112 1.00 48.73 H new ATOM 0 HG13 VAL A 818 -7.713 -40.888 63.103 1.00 48.73 H new ATOM 0 HG21 VAL A 818 -6.496 -41.847 60.594 1.00 43.02 H new ATOM 0 HG22 VAL A 818 -7.068 -40.377 60.732 1.00 43.02 H new ATOM 0 HG23 VAL A 818 -5.573 -40.603 60.263 1.00 43.02 H new ATOM 1217 N ASP A 819 -3.673 -39.315 64.322 1.00 44.32 N ATOM 1218 CA ASP A 819 -3.097 -39.207 65.663 1.00 45.95 C ATOM 1219 C ASP A 819 -3.110 -37.766 66.169 1.00 45.52 C ATOM 1220 O ASP A 819 -2.582 -37.474 67.242 1.00 45.02 O ATOM 1221 CB ASP A 819 -1.655 -39.721 65.701 1.00 50.24 C ATOM 1222 CG ASP A 819 -1.576 -41.235 65.750 1.00 54.15 C ATOM 1223 OD1 ASP A 819 -2.416 -41.848 66.443 1.00 55.80 O ATOM 1224 OD2 ASP A 819 -0.669 -41.812 65.110 1.00 56.22 O ATOM 0 H ASP A 819 -3.093 -39.346 63.688 1.00 44.32 H new ATOM 0 HA ASP A 819 -3.652 -39.756 66.239 1.00 45.95 H new ATOM 0 HB2 ASP A 819 -1.181 -39.401 64.918 1.00 50.24 H new ATOM 0 HB3 ASP A 819 -1.204 -39.352 66.476 1.00 50.24 H new ATOM 1225 N GLY A 820 -3.704 -36.868 65.392 1.00 43.15 N ATOM 1226 CA GLY A 820 -3.785 -35.479 65.807 1.00 43.47 C ATOM 1227 C GLY A 820 -2.528 -34.672 65.560 1.00 42.55 C ATOM 1228 O GLY A 820 -1.459 -35.231 65.328 1.00 42.56 O ATOM 0 H GLY A 820 -4.062 -37.042 64.630 1.00 43.15 H new ATOM 0 HA2 GLY A 820 -4.523 -35.057 65.340 1.00 43.47 H new ATOM 0 HA3 GLY A 820 -3.994 -35.448 66.754 1.00 43.47 H new ATOM 1229 N LEU A 821 -2.664 -33.349 65.618 1.00 42.21 N ATOM 1230 CA LEU A 821 -1.545 -32.435 65.403 1.00 42.99 C ATOM 1231 C LEU A 821 -0.848 -32.108 66.724 1.00 44.27 C ATOM 1232 O LEU A 821 -1.306 -32.533 67.789 1.00 43.71 O ATOM 1233 CB LEU A 821 -2.051 -31.139 64.759 1.00 41.53 C ATOM 1234 CG LEU A 821 -2.659 -31.239 63.359 1.00 39.50 C ATOM 1235 CD1 LEU A 821 -3.457 -29.977 63.052 1.00 40.05 C ATOM 1236 CD2 LEU A 821 -1.557 -31.456 62.339 1.00 39.62 C ATOM 0 H LEU A 821 -3.410 -32.955 65.784 1.00 42.21 H new ATOM 0 HA LEU A 821 -0.907 -32.867 64.814 1.00 42.99 H new ATOM 0 HB2 LEU A 821 -2.717 -30.752 65.348 1.00 41.53 H new ATOM 0 HB3 LEU A 821 -1.310 -30.515 64.720 1.00 41.53 H new ATOM 0 HG LEU A 821 -3.264 -31.996 63.317 1.00 39.50 H new ATOM 0 HD11 LEU A 821 -3.841 -30.045 62.164 1.00 40.05 H new ATOM 0 HD12 LEU A 821 -4.168 -29.877 63.704 1.00 40.05 H new ATOM 0 HD13 LEU A 821 -2.871 -29.205 63.093 1.00 40.05 H new ATOM 0 HD21 LEU A 821 -1.945 -31.519 61.452 1.00 39.62 H new ATOM 0 HD22 LEU A 821 -0.937 -30.710 62.368 1.00 39.62 H new ATOM 0 HD23 LEU A 821 -1.084 -32.277 62.544 1.00 39.62 H new ATOM 1237 N LYS A 822 0.255 -31.358 66.650 1.00 46.03 N ATOM 1238 CA LYS A 822 1.005 -30.961 67.846 1.00 47.64 C ATOM 1239 C LYS A 822 0.042 -30.308 68.820 1.00 47.71 C ATOM 1240 O LYS A 822 -0.047 -30.699 69.980 1.00 46.73 O ATOM 1241 CB LYS A 822 2.115 -29.968 67.491 1.00 50.36 C ATOM 1242 CG LYS A 822 3.520 -30.547 67.551 1.00 53.82 C ATOM 1243 CD LYS A 822 3.716 -31.654 66.528 1.00 57.46 C ATOM 1244 CE LYS A 822 5.156 -32.143 66.523 1.00 57.65 C ATOM 1245 NZ LYS A 822 6.103 -31.042 66.205 1.00 57.37 N ATOM 0 H LYS A 822 0.587 -31.067 65.912 1.00 46.03 H new ATOM 0 HA LYS A 822 1.414 -31.747 68.240 1.00 47.64 H new ATOM 0 HB2 LYS A 822 1.955 -29.628 66.597 1.00 50.36 H new ATOM 0 HB3 LYS A 822 2.063 -29.212 68.096 1.00 50.36 H new ATOM 0 HG2 LYS A 822 4.168 -29.842 67.394 1.00 53.82 H new ATOM 0 HG3 LYS A 822 3.689 -30.894 68.441 1.00 53.82 H new ATOM 0 HD2 LYS A 822 3.121 -32.393 66.728 1.00 57.46 H new ATOM 0 HD3 LYS A 822 3.478 -31.329 65.645 1.00 57.46 H new ATOM 0 HE2 LYS A 822 5.374 -32.519 67.390 1.00 57.65 H new ATOM 0 HE3 LYS A 822 5.255 -32.855 65.872 1.00 57.65 H new ATOM 0 HZ1 LYS A 822 6.589 -31.264 65.493 1.00 57.37 H new ATOM 0 HZ2 LYS A 822 5.646 -30.298 66.031 1.00 57.37 H new ATOM 0 HZ3 LYS A 822 6.642 -30.903 66.900 1.00 57.37 H new ATOM 1246 N ASN A 823 -0.677 -29.299 68.347 1.00 48.26 N ATOM 1247 CA ASN A 823 -1.658 -28.640 69.192 1.00 48.59 C ATOM 1248 C ASN A 823 -2.989 -28.688 68.460 1.00 47.10 C ATOM 1249 O ASN A 823 -3.393 -27.730 67.798 1.00 48.01 O ATOM 1250 CB ASN A 823 -1.265 -27.195 69.476 1.00 49.65 C ATOM 1251 CG ASN A 823 -2.070 -26.598 70.611 1.00 52.50 C ATOM 1252 OD1 ASN A 823 -3.304 -26.651 70.608 1.00 52.75 O ATOM 1253 ND2 ASN A 823 -1.378 -26.029 71.593 1.00 53.53 N ATOM 0 H ASN A 823 -0.613 -28.984 67.549 1.00 48.26 H new ATOM 0 HA ASN A 823 -1.714 -29.092 70.048 1.00 48.59 H new ATOM 0 HB2 ASN A 823 -0.321 -27.155 69.695 1.00 49.65 H new ATOM 0 HB3 ASN A 823 -1.393 -26.663 68.675 1.00 49.65 H new ATOM 0 HD21 ASN A 823 -1.789 -25.678 72.262 1.00 53.53 H new ATOM 0 HD22 ASN A 823 -0.519 -26.012 71.560 1.00 53.53 H new ATOM 1254 N GLN A 824 -3.657 -29.826 68.589 1.00 45.89 N ATOM 1255 CA GLN A 824 -4.940 -30.078 67.952 1.00 45.39 C ATOM 1256 C GLN A 824 -6.006 -29.055 68.347 1.00 44.83 C ATOM 1257 O GLN A 824 -6.880 -28.716 67.549 1.00 43.89 O ATOM 1258 CB GLN A 824 -5.402 -31.495 68.321 1.00 46.93 C ATOM 1259 CG GLN A 824 -6.652 -31.989 67.610 1.00 47.91 C ATOM 1260 CD GLN A 824 -6.446 -32.150 66.117 1.00 49.68 C ATOM 1261 OE1 GLN A 824 -5.450 -32.734 65.674 1.00 48.98 O ATOM 1262 NE2 GLN A 824 -7.395 -31.646 65.331 1.00 47.65 N ATOM 0 H GLN A 824 -3.371 -30.487 69.059 1.00 45.89 H new ATOM 0 HA GLN A 824 -4.821 -29.995 66.993 1.00 45.39 H new ATOM 0 HB2 GLN A 824 -4.678 -32.112 68.133 1.00 46.93 H new ATOM 0 HB3 GLN A 824 -5.560 -31.527 69.277 1.00 46.93 H new ATOM 0 HG2 GLN A 824 -6.921 -32.840 67.990 1.00 47.91 H new ATOM 0 HG3 GLN A 824 -7.378 -31.365 67.768 1.00 47.91 H new ATOM 0 HE21 GLN A 824 -8.073 -31.246 65.678 1.00 47.65 H new ATOM 0 HE22 GLN A 824 -7.330 -31.720 64.477 1.00 47.65 H new ATOM 1263 N LYS A 825 -5.932 -28.556 69.575 1.00 44.62 N ATOM 1264 CA LYS A 825 -6.916 -27.590 70.048 1.00 44.62 C ATOM 1265 C LYS A 825 -6.958 -26.279 69.251 1.00 43.50 C ATOM 1266 O LYS A 825 -8.036 -25.806 68.900 1.00 42.44 O ATOM 1267 CB LYS A 825 -6.691 -27.292 71.532 1.00 47.08 C ATOM 1268 CG LYS A 825 -7.595 -26.197 72.077 1.00 52.40 C ATOM 1269 CD LYS A 825 -7.309 -25.901 73.547 1.00 56.24 C ATOM 1270 CE LYS A 825 -7.988 -24.614 73.994 1.00 56.80 C ATOM 1271 NZ LYS A 825 -9.453 -24.616 73.697 1.00 60.00 N ATOM 0 H LYS A 825 -5.324 -28.762 70.147 1.00 44.62 H new ATOM 0 HA LYS A 825 -7.780 -28.010 69.911 1.00 44.62 H new ATOM 0 HB2 LYS A 825 -6.835 -28.104 72.043 1.00 47.08 H new ATOM 0 HB3 LYS A 825 -5.766 -27.033 71.666 1.00 47.08 H new ATOM 0 HG2 LYS A 825 -7.474 -25.388 71.555 1.00 52.40 H new ATOM 0 HG3 LYS A 825 -8.522 -26.463 71.976 1.00 52.40 H new ATOM 0 HD2 LYS A 825 -7.619 -26.640 74.094 1.00 56.24 H new ATOM 0 HD3 LYS A 825 -6.351 -25.829 73.684 1.00 56.24 H new ATOM 0 HE2 LYS A 825 -7.853 -24.493 74.947 1.00 56.80 H new ATOM 0 HE3 LYS A 825 -7.571 -23.859 73.550 1.00 56.80 H new ATOM 0 HZ1 LYS A 825 -9.833 -23.905 74.073 1.00 60.00 H new ATOM 0 HZ2 LYS A 825 -9.578 -24.587 72.816 1.00 60.00 H new ATOM 0 HZ3 LYS A 825 -9.821 -25.357 74.024 1.00 60.00 H new ATOM 1272 N PHE A 826 -5.805 -25.683 68.964 1.00 42.27 N ATOM 1273 CA PHE A 826 -5.801 -24.438 68.203 1.00 41.71 C ATOM 1274 C PHE A 826 -6.285 -24.659 66.771 1.00 40.08 C ATOM 1275 O PHE A 826 -6.877 -23.767 66.158 1.00 36.19 O ATOM 1276 CB PHE A 826 -4.407 -23.808 68.178 1.00 45.53 C ATOM 1277 CG PHE A 826 -3.905 -23.384 69.530 1.00 49.02 C ATOM 1278 CD1 PHE A 826 -4.775 -22.846 70.475 1.00 51.57 C ATOM 1279 CD2 PHE A 826 -2.554 -23.504 69.849 1.00 50.44 C ATOM 1280 CE1 PHE A 826 -4.307 -22.433 71.722 1.00 53.15 C ATOM 1281 CE2 PHE A 826 -2.074 -23.094 71.090 1.00 51.16 C ATOM 1282 CZ PHE A 826 -2.950 -22.558 72.028 1.00 53.56 C ATOM 0 H PHE A 826 -5.030 -25.975 69.195 1.00 42.27 H new ATOM 0 HA PHE A 826 -6.413 -23.832 68.650 1.00 41.71 H new ATOM 0 HB2 PHE A 826 -3.782 -24.443 67.795 1.00 45.53 H new ATOM 0 HB3 PHE A 826 -4.421 -23.036 67.591 1.00 45.53 H new ATOM 0 HD1 PHE A 826 -5.679 -22.761 70.272 1.00 51.57 H new ATOM 0 HD2 PHE A 826 -1.965 -23.863 69.225 1.00 50.44 H new ATOM 0 HE1 PHE A 826 -4.896 -22.076 72.347 1.00 53.15 H new ATOM 0 HE2 PHE A 826 -1.170 -23.178 71.291 1.00 51.16 H new ATOM 0 HZ PHE A 826 -2.633 -22.283 72.858 1.00 53.56 H new ATOM 1283 N PHE A 827 -6.029 -25.850 66.239 1.00 38.31 N ATOM 1284 CA PHE A 827 -6.459 -26.169 64.888 1.00 37.16 C ATOM 1285 C PHE A 827 -7.979 -26.314 64.810 1.00 38.04 C ATOM 1286 O PHE A 827 -8.616 -25.812 63.881 1.00 37.58 O ATOM 1287 CB PHE A 827 -5.805 -27.462 64.408 1.00 36.16 C ATOM 1288 CG PHE A 827 -6.414 -28.006 63.145 1.00 36.86 C ATOM 1289 CD1 PHE A 827 -7.601 -28.736 63.184 1.00 36.53 C ATOM 1290 CD2 PHE A 827 -5.827 -27.751 61.910 1.00 33.34 C ATOM 1291 CE1 PHE A 827 -8.192 -29.202 62.008 1.00 35.95 C ATOM 1292 CE2 PHE A 827 -6.414 -28.213 60.735 1.00 35.84 C ATOM 1293 CZ PHE A 827 -7.597 -28.939 60.787 1.00 33.50 C ATOM 0 H PHE A 827 -5.610 -26.483 66.643 1.00 38.31 H new ATOM 0 HA PHE A 827 -6.185 -25.436 64.315 1.00 37.16 H new ATOM 0 HB2 PHE A 827 -4.859 -27.303 64.261 1.00 36.16 H new ATOM 0 HB3 PHE A 827 -5.875 -28.131 65.107 1.00 36.16 H new ATOM 0 HD1 PHE A 827 -8.004 -28.915 64.003 1.00 36.53 H new ATOM 0 HD2 PHE A 827 -5.034 -27.267 61.869 1.00 33.34 H new ATOM 0 HE1 PHE A 827 -8.984 -29.688 62.045 1.00 35.95 H new ATOM 0 HE2 PHE A 827 -6.014 -28.035 59.915 1.00 35.84 H new ATOM 0 HZ PHE A 827 -7.989 -29.248 60.002 1.00 33.50 H new ATOM 1294 N ASP A 828 -8.554 -27.012 65.783 1.00 37.70 N ATOM 1295 CA ASP A 828 -9.991 -27.217 65.803 1.00 38.79 C ATOM 1296 C ASP A 828 -10.690 -25.887 65.925 1.00 37.72 C ATOM 1297 O ASP A 828 -11.740 -25.674 65.329 1.00 38.90 O ATOM 1298 CB ASP A 828 -10.411 -28.097 66.983 1.00 40.12 C ATOM 1299 CG ASP A 828 -9.865 -29.503 66.890 1.00 40.38 C ATOM 1300 OD1 ASP A 828 -9.778 -30.043 65.768 1.00 41.45 O ATOM 1301 OD2 ASP A 828 -9.538 -30.074 67.950 1.00 43.82 O ATOM 0 H ASP A 828 -8.129 -27.373 66.438 1.00 37.70 H new ATOM 0 HA ASP A 828 -10.239 -27.660 64.976 1.00 38.79 H new ATOM 0 HB2 ASP A 828 -10.106 -27.690 67.809 1.00 40.12 H new ATOM 0 HB3 ASP A 828 -11.379 -28.133 67.025 1.00 40.12 H new ATOM 1302 N GLU A 829 -10.113 -24.991 66.714 1.00 37.65 N ATOM 1303 CA GLU A 829 -10.711 -23.680 66.912 1.00 38.92 C ATOM 1304 C GLU A 829 -10.671 -22.918 65.597 1.00 38.03 C ATOM 1305 O GLU A 829 -11.632 -22.248 65.218 1.00 36.68 O ATOM 1306 CB GLU A 829 -9.944 -22.901 67.986 1.00 42.45 C ATOM 1307 CG GLU A 829 -10.586 -21.579 68.371 1.00 49.56 C ATOM 1308 CD GLU A 829 -9.662 -20.688 69.202 1.00 55.90 C ATOM 1309 OE1 GLU A 829 -10.098 -19.576 69.581 1.00 57.81 O ATOM 1310 OE2 GLU A 829 -8.506 -21.093 69.470 1.00 56.62 O ATOM 0 H GLU A 829 -9.379 -25.121 67.142 1.00 37.65 H new ATOM 0 HA GLU A 829 -11.629 -23.786 67.206 1.00 38.92 H new ATOM 0 HB2 GLU A 829 -9.865 -23.454 68.779 1.00 42.45 H new ATOM 0 HB3 GLU A 829 -9.043 -22.732 67.668 1.00 42.45 H new ATOM 0 HG2 GLU A 829 -10.847 -21.105 67.566 1.00 49.56 H new ATOM 0 HG3 GLU A 829 -11.397 -21.753 68.873 1.00 49.56 H new ATOM 1311 N LEU A 830 -9.548 -23.039 64.903 1.00 36.32 N ATOM 1312 CA LEU A 830 -9.352 -22.363 63.632 1.00 36.95 C ATOM 1313 C LEU A 830 -10.273 -22.922 62.548 1.00 36.40 C ATOM 1314 O LEU A 830 -10.880 -22.168 61.800 1.00 36.27 O ATOM 1315 CB LEU A 830 -7.887 -22.498 63.213 1.00 38.77 C ATOM 1316 CG LEU A 830 -7.328 -21.609 62.104 1.00 40.67 C ATOM 1317 CD1 LEU A 830 -7.672 -20.142 62.352 1.00 42.35 C ATOM 1318 CD2 LEU A 830 -5.823 -21.810 62.068 1.00 43.51 C ATOM 0 H LEU A 830 -8.878 -23.516 65.156 1.00 36.32 H new ATOM 0 HA LEU A 830 -9.576 -21.426 63.742 1.00 36.95 H new ATOM 0 HB2 LEU A 830 -7.345 -22.349 64.004 1.00 38.77 H new ATOM 0 HB3 LEU A 830 -7.747 -23.419 62.943 1.00 38.77 H new ATOM 0 HG LEU A 830 -7.722 -21.852 61.251 1.00 40.67 H new ATOM 0 HD11 LEU A 830 -7.307 -19.598 61.636 1.00 42.35 H new ATOM 0 HD12 LEU A 830 -8.636 -20.036 62.379 1.00 42.35 H new ATOM 0 HD13 LEU A 830 -7.292 -19.859 63.198 1.00 42.35 H new ATOM 0 HD21 LEU A 830 -5.439 -21.256 61.371 1.00 43.51 H new ATOM 0 HD22 LEU A 830 -5.442 -21.561 62.925 1.00 43.51 H new ATOM 0 HD23 LEU A 830 -5.625 -22.742 61.886 1.00 43.51 H new ATOM 1319 N ARG A 831 -10.381 -24.244 62.462 1.00 35.98 N ATOM 1320 CA ARG A 831 -11.242 -24.843 61.453 1.00 36.85 C ATOM 1321 C ARG A 831 -12.702 -24.473 61.718 1.00 37.07 C ATOM 1322 O ARG A 831 -13.469 -24.195 60.793 1.00 35.41 O ATOM 1323 CB ARG A 831 -11.087 -26.362 61.444 1.00 36.00 C ATOM 1324 CG ARG A 831 -12.093 -27.058 60.533 1.00 35.78 C ATOM 1325 CD ARG A 831 -12.052 -28.568 60.693 1.00 34.16 C ATOM 1326 NE ARG A 831 -13.168 -29.217 60.011 1.00 35.36 N ATOM 1327 CZ ARG A 831 -13.291 -29.332 58.691 1.00 35.81 C ATOM 1328 NH1 ARG A 831 -12.357 -28.843 57.881 1.00 34.29 N ATOM 1329 NH2 ARG A 831 -14.358 -29.939 58.179 1.00 36.52 N ATOM 0 H ARG A 831 -9.971 -24.803 62.970 1.00 35.98 H new ATOM 0 HA ARG A 831 -10.978 -24.499 60.585 1.00 36.85 H new ATOM 0 HB2 ARG A 831 -10.188 -26.589 61.158 1.00 36.00 H new ATOM 0 HB3 ARG A 831 -11.190 -26.698 62.348 1.00 36.00 H new ATOM 0 HG2 ARG A 831 -12.986 -26.736 60.732 1.00 35.78 H new ATOM 0 HG3 ARG A 831 -11.907 -26.826 59.610 1.00 35.78 H new ATOM 0 HD2 ARG A 831 -11.215 -28.908 60.339 1.00 34.16 H new ATOM 0 HD3 ARG A 831 -12.074 -28.794 61.636 1.00 34.16 H new ATOM 0 HE ARG A 831 -13.793 -29.550 60.499 1.00 35.36 H new ATOM 0 HH11 ARG A 831 -11.667 -28.449 58.209 1.00 34.29 H new ATOM 0 HH12 ARG A 831 -12.443 -28.921 57.029 1.00 34.29 H new ATOM 0 HH21 ARG A 831 -14.964 -30.255 58.700 1.00 36.52 H new ATOM 0 HH22 ARG A 831 -14.441 -30.015 57.326 1.00 36.52 H new ATOM 1330 N MET A 832 -13.075 -24.463 62.990 1.00 36.84 N ATOM 1331 CA MET A 832 -14.431 -24.124 63.372 1.00 37.34 C ATOM 1332 C MET A 832 -14.793 -22.698 62.967 1.00 38.72 C ATOM 1333 O MET A 832 -15.921 -22.430 62.531 1.00 38.27 O ATOM 1334 CB MET A 832 -14.610 -24.276 64.880 1.00 37.36 C ATOM 1335 CG MET A 832 -15.935 -23.719 65.374 1.00 41.58 C ATOM 1336 SD MET A 832 -16.135 -23.869 67.148 1.00 47.63 S ATOM 1337 CE MET A 832 -15.317 -22.369 67.744 1.00 44.81 C ATOM 0 H MET A 832 -12.554 -24.651 63.648 1.00 36.84 H new ATOM 0 HA MET A 832 -15.022 -24.735 62.905 1.00 37.34 H new ATOM 0 HB2 MET A 832 -14.550 -25.215 65.116 1.00 37.36 H new ATOM 0 HB3 MET A 832 -13.883 -23.823 65.335 1.00 37.36 H new ATOM 0 HG2 MET A 832 -16.001 -22.784 65.123 1.00 41.58 H new ATOM 0 HG3 MET A 832 -16.662 -24.184 64.931 1.00 41.58 H new ATOM 0 HE1 MET A 832 -15.362 -22.339 68.712 1.00 44.81 H new ATOM 0 HE2 MET A 832 -14.388 -22.374 67.464 1.00 44.81 H new ATOM 0 HE3 MET A 832 -15.762 -21.590 67.375 1.00 44.81 H new ATOM 1338 N ASN A 833 -13.845 -21.778 63.115 1.00 36.84 N ATOM 1339 CA ASN A 833 -14.120 -20.400 62.759 1.00 36.47 C ATOM 1340 C ASN A 833 -14.265 -20.218 61.259 1.00 36.68 C ATOM 1341 O ASN A 833 -15.084 -19.416 60.810 1.00 37.31 O ATOM 1342 CB ASN A 833 -13.044 -19.476 63.323 1.00 37.96 C ATOM 1343 CG ASN A 833 -13.240 -19.211 64.811 1.00 41.41 C ATOM 1344 OD1 ASN A 833 -14.332 -18.838 65.244 1.00 44.70 O ATOM 1345 ND2 ASN A 833 -12.189 -19.401 65.596 1.00 41.07 N ATOM 0 H ASN A 833 -13.053 -21.930 63.414 1.00 36.84 H new ATOM 0 HA ASN A 833 -14.972 -20.160 63.157 1.00 36.47 H new ATOM 0 HB2 ASN A 833 -12.171 -19.872 63.178 1.00 37.96 H new ATOM 0 HB3 ASN A 833 -13.057 -18.634 62.841 1.00 37.96 H new ATOM 0 HD21 ASN A 833 -12.254 -19.263 66.442 1.00 41.07 H new ATOM 0 HD22 ASN A 833 -11.442 -19.662 65.259 1.00 41.07 H new ATOM 1346 N TYR A 834 -13.485 -20.963 60.483 1.00 35.19 N ATOM 1347 CA TYR A 834 -13.580 -20.874 59.035 1.00 36.06 C ATOM 1348 C TYR A 834 -14.899 -21.470 58.525 1.00 37.95 C ATOM 1349 O TYR A 834 -15.406 -21.066 57.479 1.00 37.89 O ATOM 1350 CB TYR A 834 -12.377 -21.562 58.375 1.00 35.54 C ATOM 1351 CG TYR A 834 -11.175 -20.643 58.266 1.00 35.93 C ATOM 1352 CD1 TYR A 834 -10.388 -20.347 59.380 1.00 34.92 C ATOM 1353 CD2 TYR A 834 -10.869 -20.017 57.061 1.00 36.25 C ATOM 1354 CE1 TYR A 834 -9.326 -19.446 59.294 1.00 34.51 C ATOM 1355 CE2 TYR A 834 -9.815 -19.114 56.963 1.00 37.19 C ATOM 1356 CZ TYR A 834 -9.048 -18.833 58.082 1.00 35.97 C ATOM 1357 OH TYR A 834 -8.017 -17.935 57.977 1.00 37.28 O ATOM 0 H TYR A 834 -12.899 -21.521 60.774 1.00 35.19 H new ATOM 0 HA TYR A 834 -13.569 -19.935 58.791 1.00 36.06 H new ATOM 0 HB2 TYR A 834 -12.135 -22.348 58.889 1.00 35.54 H new ATOM 0 HB3 TYR A 834 -12.628 -21.869 57.490 1.00 35.54 H new ATOM 0 HD1 TYR A 834 -10.575 -20.757 60.193 1.00 34.92 H new ATOM 0 HD2 TYR A 834 -11.379 -20.206 56.307 1.00 36.25 H new ATOM 0 HE1 TYR A 834 -8.809 -19.258 60.044 1.00 34.51 H new ATOM 0 HE2 TYR A 834 -9.626 -18.701 56.151 1.00 37.19 H new ATOM 0 HH TYR A 834 -7.688 -17.796 58.737 1.00 37.28 H new ATOM 1358 N ILE A 835 -15.455 -22.434 59.254 1.00 39.01 N ATOM 1359 CA ILE A 835 -16.737 -23.011 58.863 1.00 39.73 C ATOM 1360 C ILE A 835 -17.779 -21.939 59.161 1.00 42.24 C ATOM 1361 O ILE A 835 -18.704 -21.714 58.382 1.00 41.96 O ATOM 1362 CB ILE A 835 -17.076 -24.282 59.676 1.00 39.56 C ATOM 1363 CG1 ILE A 835 -16.163 -25.434 59.238 1.00 37.94 C ATOM 1364 CG2 ILE A 835 -18.555 -24.645 59.499 1.00 34.24 C ATOM 1365 CD1 ILE A 835 -16.412 -26.750 59.974 1.00 38.48 C ATOM 0 H ILE A 835 -15.111 -22.764 59.970 1.00 39.01 H new ATOM 0 HA ILE A 835 -16.714 -23.272 57.929 1.00 39.73 H new ATOM 0 HB ILE A 835 -16.923 -24.113 60.619 1.00 39.56 H new ATOM 0 HG12 ILE A 835 -16.280 -25.581 58.286 1.00 37.94 H new ATOM 0 HG13 ILE A 835 -15.239 -25.170 59.373 1.00 37.94 H new ATOM 0 HG21 ILE A 835 -18.756 -25.443 60.013 1.00 34.24 H new ATOM 0 HG22 ILE A 835 -19.108 -23.912 59.811 1.00 34.24 H new ATOM 0 HG23 ILE A 835 -18.738 -24.810 58.561 1.00 34.24 H new ATOM 0 HD11 ILE A 835 -15.800 -27.426 59.644 1.00 38.48 H new ATOM 0 HD12 ILE A 835 -16.269 -26.621 60.925 1.00 38.48 H new ATOM 0 HD13 ILE A 835 -17.325 -27.039 59.821 1.00 38.48 H new ATOM 1366 N LYS A 836 -17.611 -21.276 60.300 1.00 44.08 N ATOM 1367 CA LYS A 836 -18.511 -20.209 60.712 1.00 45.85 C ATOM 1368 C LYS A 836 -18.525 -19.096 59.670 1.00 46.89 C ATOM 1369 O LYS A 836 -19.580 -18.558 59.348 1.00 48.06 O ATOM 1370 CB LYS A 836 -18.069 -19.639 62.065 1.00 48.09 C ATOM 1371 CG LYS A 836 -18.787 -18.346 62.464 1.00 52.37 C ATOM 1372 CD LYS A 836 -18.251 -17.751 63.773 1.00 54.75 C ATOM 1373 CE LYS A 836 -16.735 -17.539 63.737 1.00 57.07 C ATOM 1374 NZ LYS A 836 -16.273 -16.833 62.502 1.00 57.03 N ATOM 0 H LYS A 836 -16.972 -21.433 60.854 1.00 44.08 H new ATOM 0 HA LYS A 836 -19.405 -20.576 60.796 1.00 45.85 H new ATOM 0 HB2 LYS A 836 -18.221 -20.307 62.752 1.00 48.09 H new ATOM 0 HB3 LYS A 836 -17.114 -19.472 62.038 1.00 48.09 H new ATOM 0 HG2 LYS A 836 -18.690 -17.694 61.753 1.00 52.37 H new ATOM 0 HG3 LYS A 836 -19.736 -18.523 62.558 1.00 52.37 H new ATOM 0 HD2 LYS A 836 -18.690 -16.903 63.944 1.00 54.75 H new ATOM 0 HD3 LYS A 836 -18.476 -18.341 64.510 1.00 54.75 H new ATOM 0 HE2 LYS A 836 -16.466 -17.027 64.516 1.00 57.07 H new ATOM 0 HE3 LYS A 836 -16.292 -18.400 63.797 1.00 57.07 H new ATOM 0 HZ1 LYS A 836 -15.482 -16.455 62.654 1.00 57.03 H new ATOM 0 HZ2 LYS A 836 -16.198 -17.418 61.836 1.00 57.03 H new ATOM 0 HZ3 LYS A 836 -16.864 -16.205 62.280 1.00 57.03 H new ATOM 1375 N GLU A 837 -17.354 -18.742 59.147 1.00 47.04 N ATOM 1376 CA GLU A 837 -17.276 -17.688 58.141 1.00 47.26 C ATOM 1377 C GLU A 837 -18.001 -18.099 56.865 1.00 47.67 C ATOM 1378 O GLU A 837 -18.693 -17.289 56.251 1.00 48.08 O ATOM 1379 CB GLU A 837 -15.817 -17.345 57.815 1.00 46.15 C ATOM 1380 CG GLU A 837 -15.082 -16.571 58.903 1.00 46.76 C ATOM 1381 CD GLU A 837 -15.788 -15.278 59.290 1.00 48.34 C ATOM 1382 OE1 GLU A 837 -16.177 -14.506 58.387 1.00 47.70 O ATOM 1383 OE2 GLU A 837 -15.948 -15.028 60.501 1.00 48.36 O ATOM 0 H GLU A 837 -16.600 -19.096 59.359 1.00 47.04 H new ATOM 0 HA GLU A 837 -17.708 -16.902 58.510 1.00 47.26 H new ATOM 0 HB2 GLU A 837 -15.336 -18.169 57.641 1.00 46.15 H new ATOM 0 HB3 GLU A 837 -15.796 -16.826 56.996 1.00 46.15 H new ATOM 0 HG2 GLU A 837 -14.992 -17.133 59.689 1.00 46.76 H new ATOM 0 HG3 GLU A 837 -14.185 -16.365 58.597 1.00 46.76 H new ATOM 1384 N LEU A 838 -17.839 -19.354 56.459 1.00 49.29 N ATOM 1385 CA LEU A 838 -18.505 -19.833 55.253 1.00 51.21 C ATOM 1386 C LEU A 838 -20.015 -19.739 55.459 1.00 52.52 C ATOM 1387 O LEU A 838 -20.760 -19.395 54.543 1.00 50.74 O ATOM 1388 CB LEU A 838 -18.099 -21.281 54.950 1.00 50.33 C ATOM 1389 CG LEU A 838 -18.769 -21.941 53.732 1.00 51.81 C ATOM 1390 CD1 LEU A 838 -18.528 -21.094 52.486 1.00 50.15 C ATOM 1391 CD2 LEU A 838 -18.221 -23.346 53.530 1.00 48.71 C ATOM 0 H LEU A 838 -17.354 -19.938 56.862 1.00 49.29 H new ATOM 0 HA LEU A 838 -18.240 -19.285 54.497 1.00 51.21 H new ATOM 0 HB2 LEU A 838 -17.138 -21.306 54.819 1.00 50.33 H new ATOM 0 HB3 LEU A 838 -18.292 -21.821 55.732 1.00 50.33 H new ATOM 0 HG LEU A 838 -19.724 -22.002 53.890 1.00 51.81 H new ATOM 0 HD11 LEU A 838 -18.952 -21.514 51.722 1.00 50.15 H new ATOM 0 HD12 LEU A 838 -18.904 -20.210 52.618 1.00 50.15 H new ATOM 0 HD13 LEU A 838 -17.574 -21.019 52.325 1.00 50.15 H new ATOM 0 HD21 LEU A 838 -18.649 -23.753 52.761 1.00 48.71 H new ATOM 0 HD22 LEU A 838 -17.264 -23.302 53.381 1.00 48.71 H new ATOM 0 HD23 LEU A 838 -18.400 -23.880 54.320 1.00 48.71 H new ATOM 1392 N ASP A 839 -20.453 -20.035 56.678 1.00 54.87 N ATOM 1393 CA ASP A 839 -21.867 -19.982 57.026 1.00 57.57 C ATOM 1394 C ASP A 839 -22.352 -18.528 57.018 1.00 58.31 C ATOM 1395 O ASP A 839 -23.508 -18.251 56.703 1.00 58.27 O ATOM 1396 CB ASP A 839 -22.078 -20.595 58.410 1.00 59.22 C ATOM 1397 CG ASP A 839 -23.446 -21.232 58.565 1.00 62.44 C ATOM 1398 OD1 ASP A 839 -23.761 -21.687 59.686 1.00 64.32 O ATOM 1399 OD2 ASP A 839 -24.203 -21.287 57.571 1.00 62.79 O ATOM 0 H ASP A 839 -19.939 -20.272 57.326 1.00 54.87 H new ATOM 0 HA ASP A 839 -22.376 -20.487 56.373 1.00 57.57 H new ATOM 0 HB2 ASP A 839 -21.394 -21.263 58.571 1.00 59.22 H new ATOM 0 HB3 ASP A 839 -21.967 -19.907 59.085 1.00 59.22 H new ATOM 1400 N ARG A 840 -21.457 -17.607 57.365 1.00 59.82 N ATOM 1401 CA ARG A 840 -21.766 -16.176 57.391 1.00 60.23 C ATOM 1402 C ARG A 840 -22.007 -15.669 55.976 1.00 60.28 C ATOM 1403 O ARG A 840 -22.953 -14.927 55.723 1.00 59.23 O ATOM 1404 CB ARG A 840 -20.601 -15.388 57.990 1.00 62.39 C ATOM 1405 CG ARG A 840 -20.300 -15.684 59.443 1.00 67.00 C ATOM 1406 CD ARG A 840 -21.222 -14.916 60.370 1.00 69.78 C ATOM 1407 NE ARG A 840 -20.825 -15.054 61.769 1.00 72.98 N ATOM 1408 CZ ARG A 840 -19.631 -14.711 62.247 1.00 74.38 C ATOM 1409 NH1 ARG A 840 -18.708 -14.209 61.438 1.00 75.20 N ATOM 1410 NH2 ARG A 840 -19.362 -14.868 63.537 1.00 75.50 N ATOM 0 H ARG A 840 -20.649 -17.794 57.593 1.00 59.82 H new ATOM 0 HA ARG A 840 -22.561 -16.050 57.933 1.00 60.23 H new ATOM 0 HB2 ARG A 840 -19.805 -15.569 57.467 1.00 62.39 H new ATOM 0 HB3 ARG A 840 -20.790 -14.441 57.901 1.00 62.39 H new ATOM 0 HG2 ARG A 840 -20.394 -16.635 59.607 1.00 67.00 H new ATOM 0 HG3 ARG A 840 -19.378 -15.453 59.637 1.00 67.00 H new ATOM 0 HD2 ARG A 840 -21.219 -13.978 60.124 1.00 69.78 H new ATOM 0 HD3 ARG A 840 -22.131 -15.235 60.259 1.00 69.78 H new ATOM 0 HE ARG A 840 -21.400 -15.378 62.320 1.00 72.98 H new ATOM 0 HH11 ARG A 840 -18.880 -14.104 60.602 1.00 75.20 H new ATOM 0 HH12 ARG A 840 -17.937 -13.988 61.749 1.00 75.20 H new ATOM 0 HH21 ARG A 840 -19.959 -15.191 64.065 1.00 75.50 H new ATOM 0 HH22 ARG A 840 -18.590 -14.646 63.845 1.00 75.50 H new ATOM 1411 N ILE A 841 -21.127 -16.060 55.061 1.00 60.29 N ATOM 1412 CA ILE A 841 -21.236 -15.650 53.672 1.00 61.76 C ATOM 1413 C ILE A 841 -22.554 -16.085 53.059 1.00 62.54 C ATOM 1414 O ILE A 841 -23.193 -15.324 52.335 1.00 63.33 O ATOM 1415 CB ILE A 841 -20.088 -16.230 52.829 1.00 62.31 C ATOM 1416 CG1 ILE A 841 -18.888 -15.290 52.898 1.00 62.63 C ATOM 1417 CG2 ILE A 841 -20.542 -16.449 51.390 1.00 62.54 C ATOM 1418 CD1 ILE A 841 -17.844 -15.576 51.860 1.00 64.23 C ATOM 0 H ILE A 841 -20.454 -16.568 55.229 1.00 60.29 H new ATOM 0 HA ILE A 841 -21.188 -14.681 53.668 1.00 61.76 H new ATOM 0 HB ILE A 841 -19.826 -17.093 53.185 1.00 62.31 H new ATOM 0 HG12 ILE A 841 -19.196 -14.376 52.794 1.00 62.63 H new ATOM 0 HG13 ILE A 841 -18.485 -15.355 53.778 1.00 62.63 H new ATOM 0 HG21 ILE A 841 -19.808 -16.815 50.871 1.00 62.54 H new ATOM 0 HG22 ILE A 841 -21.288 -17.069 51.377 1.00 62.54 H new ATOM 0 HG23 ILE A 841 -20.819 -15.603 51.006 1.00 62.54 H new ATOM 0 HD11 ILE A 841 -17.111 -14.948 51.956 1.00 64.23 H new ATOM 0 HD12 ILE A 841 -17.512 -16.480 51.976 1.00 64.23 H new ATOM 0 HD13 ILE A 841 -18.233 -15.486 50.976 1.00 64.23 H new ATOM 1419 N ILE A 842 -22.947 -17.320 53.337 1.00 62.63 N ATOM 1420 CA ILE A 842 -24.192 -17.852 52.815 1.00 63.34 C ATOM 1421 C ILE A 842 -25.371 -17.047 53.359 1.00 65.03 C ATOM 1422 O ILE A 842 -26.206 -16.558 52.599 1.00 64.33 O ATOM 1423 CB ILE A 842 -24.349 -19.341 53.199 1.00 61.48 C ATOM 1424 CG1 ILE A 842 -23.252 -20.164 52.521 1.00 60.38 C ATOM 1425 CG2 ILE A 842 -25.721 -19.855 52.789 1.00 61.65 C ATOM 1426 CD1 ILE A 842 -23.298 -21.641 52.852 1.00 59.21 C ATOM 0 H ILE A 842 -22.503 -17.868 53.829 1.00 62.63 H new ATOM 0 HA ILE A 842 -24.177 -17.782 51.848 1.00 63.34 H new ATOM 0 HB ILE A 842 -24.266 -19.429 54.161 1.00 61.48 H new ATOM 0 HG12 ILE A 842 -23.326 -20.055 51.560 1.00 60.38 H new ATOM 0 HG13 ILE A 842 -22.387 -19.810 52.781 1.00 60.38 H new ATOM 0 HG21 ILE A 842 -25.804 -20.789 53.036 1.00 61.65 H new ATOM 0 HG22 ILE A 842 -26.408 -19.339 53.240 1.00 61.65 H new ATOM 0 HG23 ILE A 842 -25.827 -19.764 51.829 1.00 61.65 H new ATOM 0 HD11 ILE A 842 -22.578 -22.099 52.391 1.00 59.21 H new ATOM 0 HD12 ILE A 842 -23.196 -21.762 53.809 1.00 59.21 H new ATOM 0 HD13 ILE A 842 -24.149 -22.010 52.569 1.00 59.21 H new ATOM 1427 N ALA A 843 -25.423 -16.897 54.679 1.00 67.29 N ATOM 1428 CA ALA A 843 -26.501 -16.163 55.329 1.00 70.23 C ATOM 1429 C ALA A 843 -26.490 -14.672 54.999 1.00 73.08 C ATOM 1430 O ALA A 843 -27.350 -13.921 55.461 1.00 73.55 O ATOM 1431 CB ALA A 843 -26.419 -16.363 56.837 1.00 70.12 C ATOM 0 H ALA A 843 -24.836 -17.217 55.220 1.00 67.29 H new ATOM 0 HA ALA A 843 -27.336 -16.519 54.987 1.00 70.23 H new ATOM 0 HB1 ALA A 843 -27.137 -15.874 57.268 1.00 70.12 H new ATOM 0 HB2 ALA A 843 -26.502 -17.307 57.043 1.00 70.12 H new ATOM 0 HB3 ALA A 843 -25.565 -16.036 57.161 1.00 70.12 H new ATOM 1432 N CYS A 844 -25.523 -14.249 54.193 1.00 76.24 N ATOM 1433 CA CYS A 844 -25.400 -12.845 53.813 1.00 79.31 C ATOM 1434 C CYS A 844 -26.602 -12.356 53.011 1.00 79.77 C ATOM 1435 O CYS A 844 -27.436 -11.611 53.523 1.00 80.65 O ATOM 1436 CB CYS A 844 -24.118 -12.627 53.002 1.00 80.74 C ATOM 1437 SG CYS A 844 -23.794 -10.898 52.557 1.00 86.08 S ATOM 0 H CYS A 844 -24.923 -14.763 53.853 1.00 76.24 H new ATOM 0 HA CYS A 844 -25.363 -12.329 54.634 1.00 79.31 H new ATOM 0 HB2 CYS A 844 -23.365 -12.964 53.512 1.00 80.74 H new ATOM 0 HB3 CYS A 844 -24.169 -13.154 52.189 1.00 80.74 H new ATOM 0 HG CYS A 844 -22.774 -10.830 51.929 1.00 86.08 H new ATOM 1438 N LYS A 845 -26.686 -12.772 51.752 1.00 80.68 N ATOM 1439 CA LYS A 845 -27.790 -12.365 50.887 1.00 81.22 C ATOM 1440 C LYS A 845 -28.976 -13.319 51.011 1.00 81.26 C ATOM 1441 O LYS A 845 -29.656 -13.612 50.024 1.00 82.41 O ATOM 1442 CB LYS A 845 -27.318 -12.303 49.437 1.00 81.57 C ATOM 0 H LYS A 845 -26.113 -13.292 51.377 1.00 80.68 H new ATOM 0 HA LYS A 845 -28.084 -11.485 51.169 1.00 81.22 H new ATOM 1443 N ARG A 846 -29.217 -13.801 52.227 1.00 79.94 N ATOM 1444 CA ARG A 846 -30.316 -14.724 52.491 1.00 78.07 C ATOM 1445 C ARG A 846 -30.963 -14.411 53.832 1.00 78.03 C ATOM 1446 O ARG A 846 -30.276 -14.113 54.808 1.00 79.22 O ATOM 1447 CB ARG A 846 -29.809 -16.168 52.501 1.00 76.74 C ATOM 1448 CG ARG A 846 -29.236 -16.647 51.177 1.00 73.68 C ATOM 1449 CD ARG A 846 -28.812 -18.103 51.267 1.00 71.52 C ATOM 1450 NE ARG A 846 -28.365 -18.633 49.980 1.00 70.70 N ATOM 1451 CZ ARG A 846 -27.269 -18.237 49.339 1.00 68.50 C ATOM 1452 NH1 ARG A 846 -26.491 -17.301 49.861 1.00 68.54 N ATOM 1453 NH2 ARG A 846 -26.954 -18.776 48.169 1.00 67.99 N ATOM 0 H ARG A 846 -28.749 -13.603 52.921 1.00 79.94 H new ATOM 0 HA ARG A 846 -30.974 -14.619 51.786 1.00 78.07 H new ATOM 0 HB2 ARG A 846 -29.127 -16.254 53.185 1.00 76.74 H new ATOM 0 HB3 ARG A 846 -30.540 -16.753 52.754 1.00 76.74 H new ATOM 0 HG2 ARG A 846 -29.898 -16.542 50.476 1.00 73.68 H new ATOM 0 HG3 ARG A 846 -28.474 -16.099 50.932 1.00 73.68 H new ATOM 0 HD2 ARG A 846 -28.096 -18.189 51.916 1.00 71.52 H new ATOM 0 HD3 ARG A 846 -29.555 -18.634 51.592 1.00 71.52 H new ATOM 0 HE ARG A 846 -28.845 -19.244 49.611 1.00 70.70 H new ATOM 0 HH11 ARG A 846 -26.694 -16.946 50.618 1.00 68.54 H new ATOM 0 HH12 ARG A 846 -25.783 -17.048 49.443 1.00 68.54 H new ATOM 0 HH21 ARG A 846 -27.458 -19.382 47.825 1.00 67.99 H new ATOM 0 HH22 ARG A 846 -26.245 -18.520 47.754 1.00 67.99 H new ATOM 1454 N LYS A 847 -32.289 -14.476 53.874 1.00 77.11 N ATOM 1455 CA LYS A 847 -33.034 -14.207 55.097 1.00 75.42 C ATOM 1456 C LYS A 847 -33.822 -15.456 55.470 1.00 74.45 C ATOM 1457 O LYS A 847 -34.389 -15.552 56.558 1.00 74.49 O ATOM 1458 CB LYS A 847 -33.978 -13.029 54.886 1.00 75.58 C ATOM 0 H LYS A 847 -32.780 -14.676 53.197 1.00 77.11 H new ATOM 0 HA LYS A 847 -32.422 -13.980 55.814 1.00 75.42 H new ATOM 1459 N ASN A 848 -33.845 -16.412 54.550 1.00 72.85 N ATOM 1460 CA ASN A 848 -34.555 -17.665 54.752 1.00 71.37 C ATOM 1461 C ASN A 848 -33.583 -18.722 55.281 1.00 70.78 C ATOM 1462 O ASN A 848 -32.666 -19.144 54.576 1.00 70.45 O ATOM 1463 CB ASN A 848 -35.163 -18.128 53.429 1.00 71.49 C ATOM 1464 CG ASN A 848 -36.240 -19.170 53.617 1.00 71.03 C ATOM 1465 OD1 ASN A 848 -35.991 -20.254 54.141 1.00 69.90 O ATOM 1466 ND2 ASN A 848 -37.453 -18.845 53.188 1.00 71.61 N ATOM 0 H ASN A 848 -33.448 -16.351 53.790 1.00 72.85 H new ATOM 0 HA ASN A 848 -35.266 -17.535 55.398 1.00 71.37 H new ATOM 0 HB2 ASN A 848 -35.536 -17.363 52.963 1.00 71.49 H new ATOM 0 HB3 ASN A 848 -34.462 -18.490 52.864 1.00 71.49 H new ATOM 0 HD21 ASN A 848 -38.102 -19.403 53.272 1.00 71.61 H new ATOM 0 HD22 ASN A 848 -37.590 -18.077 52.826 1.00 71.61 H new ATOM 1467 N PRO A 849 -33.781 -19.165 56.534 1.00 69.85 N ATOM 1468 CA PRO A 849 -32.934 -20.171 57.182 1.00 68.61 C ATOM 1469 C PRO A 849 -32.916 -21.528 56.481 1.00 67.34 C ATOM 1470 O PRO A 849 -32.004 -22.332 56.690 1.00 67.05 O ATOM 1471 CB PRO A 849 -33.520 -20.255 58.589 1.00 69.72 C ATOM 1472 CG PRO A 849 -34.973 -19.982 58.351 1.00 70.88 C ATOM 1473 CD PRO A 849 -34.915 -18.805 57.403 1.00 69.90 C ATOM 0 HA PRO A 849 -31.998 -19.917 57.161 1.00 68.61 H new ATOM 0 HB2 PRO A 849 -33.377 -21.127 58.988 1.00 69.72 H new ATOM 0 HB3 PRO A 849 -33.123 -19.601 59.185 1.00 69.72 H new ATOM 0 HG2 PRO A 849 -35.427 -20.744 57.958 1.00 70.88 H new ATOM 0 HG3 PRO A 849 -35.442 -19.765 59.172 1.00 70.88 H new ATOM 0 HD2 PRO A 849 -35.739 -18.703 56.901 1.00 69.90 H new ATOM 0 HD3 PRO A 849 -34.762 -17.969 57.871 1.00 69.90 H new ATOM 1474 N THR A 850 -33.928 -21.781 55.658 1.00 65.03 N ATOM 1475 CA THR A 850 -34.024 -23.039 54.928 1.00 62.77 C ATOM 1476 C THR A 850 -33.176 -22.982 53.666 1.00 61.96 C ATOM 1477 O THR A 850 -32.691 -24.006 53.180 1.00 62.75 O ATOM 1478 CB THR A 850 -35.481 -23.342 54.538 1.00 62.44 C ATOM 1479 OG1 THR A 850 -36.270 -23.479 55.728 1.00 62.35 O ATOM 1480 CG2 THR A 850 -35.561 -24.625 53.723 1.00 60.75 C ATOM 0 H THR A 850 -34.573 -21.233 55.508 1.00 65.03 H new ATOM 0 HA THR A 850 -33.700 -23.743 55.511 1.00 62.77 H new ATOM 0 HB THR A 850 -35.821 -22.611 53.998 1.00 62.44 H new ATOM 0 HG1 THR A 850 -37.067 -23.643 55.519 1.00 62.35 H new ATOM 0 HG21 THR A 850 -36.485 -24.801 53.486 1.00 60.75 H new ATOM 0 HG22 THR A 850 -35.033 -24.529 52.915 1.00 60.75 H new ATOM 0 HG23 THR A 850 -35.216 -25.364 54.248 1.00 60.75 H new ATOM 1481 N SER A 851 -33.009 -21.777 53.136 1.00 60.88 N ATOM 1482 CA SER A 851 -32.214 -21.571 51.936 1.00 60.68 C ATOM 1483 C SER A 851 -30.740 -21.679 52.311 1.00 59.02 C ATOM 1484 O SER A 851 -29.935 -22.229 51.564 1.00 59.10 O ATOM 1485 CB SER A 851 -32.502 -20.188 51.352 1.00 62.26 C ATOM 1486 OG SER A 851 -33.900 -19.975 51.233 1.00 65.14 O ATOM 0 H SER A 851 -33.352 -21.059 53.461 1.00 60.88 H new ATOM 0 HA SER A 851 -32.438 -22.240 51.270 1.00 60.68 H new ATOM 0 HB2 SER A 851 -32.113 -19.505 51.920 1.00 62.26 H new ATOM 0 HB3 SER A 851 -32.082 -20.106 50.481 1.00 62.26 H new ATOM 0 HG SER A 851 -34.040 -19.275 50.790 1.00 65.14 H new ATOM 1487 N CYS A 852 -30.398 -21.146 53.479 1.00 57.59 N ATOM 1488 CA CYS A 852 -29.028 -21.193 53.965 1.00 56.59 C ATOM 1489 C CYS A 852 -28.600 -22.641 54.168 1.00 54.65 C ATOM 1490 O CYS A 852 -27.525 -23.042 53.727 1.00 54.11 O ATOM 1491 CB CYS A 852 -28.903 -20.417 55.280 1.00 56.05 C ATOM 1492 SG CYS A 852 -29.154 -18.628 55.117 1.00 61.70 S ATOM 0 H CYS A 852 -30.950 -20.750 54.007 1.00 57.59 H new ATOM 0 HA CYS A 852 -28.447 -20.781 53.306 1.00 56.59 H new ATOM 0 HB2 CYS A 852 -29.549 -20.767 55.913 1.00 56.05 H new ATOM 0 HB3 CYS A 852 -28.023 -20.577 55.655 1.00 56.05 H new ATOM 0 HG CYS A 852 -29.040 -18.108 56.192 1.00 61.70 H new ATOM 1493 N SER A 853 -29.445 -23.426 54.831 1.00 53.65 N ATOM 1494 CA SER A 853 -29.133 -24.833 55.071 1.00 52.98 C ATOM 1495 C SER A 853 -28.906 -25.589 53.767 1.00 52.47 C ATOM 1496 O SER A 853 -28.016 -26.435 53.684 1.00 51.97 O ATOM 1497 CB SER A 853 -30.258 -25.514 55.855 1.00 52.43 C ATOM 1498 OG SER A 853 -30.274 -25.089 57.206 1.00 55.59 O ATOM 0 H SER A 853 -30.200 -23.166 55.149 1.00 53.65 H new ATOM 0 HA SER A 853 -28.314 -24.856 55.591 1.00 52.98 H new ATOM 0 HB2 SER A 853 -31.112 -25.313 55.440 1.00 52.43 H new ATOM 0 HB3 SER A 853 -30.144 -26.477 55.818 1.00 52.43 H new ATOM 0 HG SER A 853 -30.899 -25.474 57.614 1.00 55.59 H new ATOM 1499 N ARG A 854 -29.711 -25.285 52.753 1.00 50.87 N ATOM 1500 CA ARG A 854 -29.595 -25.953 51.460 1.00 50.64 C ATOM 1501 C ARG A 854 -28.312 -25.567 50.724 1.00 47.23 C ATOM 1502 O ARG A 854 -27.698 -26.397 50.055 1.00 46.66 O ATOM 1503 CB ARG A 854 -30.814 -25.629 50.590 1.00 54.19 C ATOM 1504 CG ARG A 854 -30.720 -26.148 49.168 1.00 58.11 C ATOM 1505 CD ARG A 854 -31.914 -25.677 48.350 1.00 63.17 C ATOM 1506 NE ARG A 854 -31.636 -25.656 46.916 1.00 66.42 N ATOM 1507 CZ ARG A 854 -30.706 -24.895 46.341 1.00 68.19 C ATOM 1508 NH1 ARG A 854 -29.948 -24.086 47.076 1.00 68.21 N ATOM 1509 NH2 ARG A 854 -30.539 -24.937 45.024 1.00 68.60 N ATOM 0 H ARG A 854 -30.333 -24.693 52.793 1.00 50.87 H new ATOM 0 HA ARG A 854 -29.558 -26.907 51.629 1.00 50.64 H new ATOM 0 HB2 ARG A 854 -31.605 -26.003 51.008 1.00 54.19 H new ATOM 0 HB3 ARG A 854 -30.934 -24.667 50.565 1.00 54.19 H new ATOM 0 HG2 ARG A 854 -29.897 -25.838 48.758 1.00 58.11 H new ATOM 0 HG3 ARG A 854 -30.686 -27.117 49.173 1.00 58.11 H new ATOM 0 HD2 ARG A 854 -32.670 -26.260 48.521 1.00 63.17 H new ATOM 0 HD3 ARG A 854 -32.170 -24.788 48.640 1.00 63.17 H new ATOM 0 HE ARG A 854 -32.104 -26.169 46.409 1.00 66.42 H new ATOM 0 HH11 ARG A 854 -30.057 -24.052 47.928 1.00 68.21 H new ATOM 0 HH12 ARG A 854 -29.349 -23.597 46.699 1.00 68.21 H new ATOM 0 HH21 ARG A 854 -31.031 -25.455 44.545 1.00 68.60 H new ATOM 0 HH22 ARG A 854 -29.939 -24.447 44.651 1.00 68.60 H new ATOM 1510 N ARG A 855 -27.910 -24.309 50.842 1.00 44.54 N ATOM 1511 CA ARG A 855 -26.688 -23.863 50.187 1.00 44.21 C ATOM 1512 C ARG A 855 -25.464 -24.463 50.905 1.00 43.85 C ATOM 1513 O ARG A 855 -24.491 -24.870 50.271 1.00 42.23 O ATOM 1514 CB ARG A 855 -26.618 -22.335 50.206 1.00 42.46 C ATOM 1515 CG ARG A 855 -25.462 -21.758 49.406 1.00 43.94 C ATOM 1516 CD ARG A 855 -25.523 -22.199 47.949 1.00 41.84 C ATOM 1517 NE ARG A 855 -24.557 -21.487 47.116 1.00 41.26 N ATOM 1518 CZ ARG A 855 -24.415 -21.684 45.808 1.00 40.35 C ATOM 1519 NH1 ARG A 855 -25.178 -22.574 45.184 1.00 38.48 N ATOM 1520 NH2 ARG A 855 -23.514 -20.997 45.123 1.00 38.48 N ATOM 0 H ARG A 855 -28.324 -23.704 51.291 1.00 44.54 H new ATOM 0 HA ARG A 855 -26.689 -24.164 49.265 1.00 44.21 H new ATOM 0 HB2 ARG A 855 -27.450 -21.978 49.858 1.00 42.46 H new ATOM 0 HB3 ARG A 855 -26.544 -22.035 51.126 1.00 42.46 H new ATOM 0 HG2 ARG A 855 -25.484 -20.789 49.454 1.00 43.94 H new ATOM 0 HG3 ARG A 855 -24.621 -22.042 49.797 1.00 43.94 H new ATOM 0 HD2 ARG A 855 -25.354 -23.153 47.894 1.00 41.84 H new ATOM 0 HD3 ARG A 855 -26.417 -22.049 47.605 1.00 41.84 H new ATOM 0 HE ARG A 855 -24.049 -20.905 47.494 1.00 41.26 H new ATOM 0 HH11 ARG A 855 -25.764 -23.023 45.625 1.00 38.48 H new ATOM 0 HH12 ARG A 855 -25.086 -22.701 44.338 1.00 38.48 H new ATOM 0 HH21 ARG A 855 -23.017 -20.420 45.524 1.00 38.48 H new ATOM 0 HH22 ARG A 855 -23.425 -21.127 44.278 1.00 38.48 H new ATOM 1521 N PHE A 856 -25.530 -24.524 52.232 1.00 43.50 N ATOM 1522 CA PHE A 856 -24.436 -25.069 53.029 1.00 44.48 C ATOM 1523 C PHE A 856 -24.235 -26.533 52.677 1.00 43.55 C ATOM 1524 O PHE A 856 -23.107 -27.019 52.588 1.00 43.50 O ATOM 1525 CB PHE A 856 -24.751 -24.942 54.524 1.00 44.22 C ATOM 1526 CG PHE A 856 -23.617 -25.351 55.418 1.00 43.78 C ATOM 1527 CD1 PHE A 856 -22.541 -24.494 55.633 1.00 44.41 C ATOM 1528 CD2 PHE A 856 -23.618 -26.595 56.040 1.00 42.73 C ATOM 1529 CE1 PHE A 856 -21.479 -24.872 56.459 1.00 43.88 C ATOM 1530 CE2 PHE A 856 -22.564 -26.983 56.866 1.00 44.54 C ATOM 1531 CZ PHE A 856 -21.490 -26.117 57.075 1.00 44.21 C ATOM 0 H PHE A 856 -26.204 -24.253 52.692 1.00 43.50 H new ATOM 0 HA PHE A 856 -23.627 -24.570 52.835 1.00 44.48 H new ATOM 0 HB2 PHE A 856 -24.990 -24.022 54.719 1.00 44.22 H new ATOM 0 HB3 PHE A 856 -25.527 -25.486 54.730 1.00 44.22 H new ATOM 0 HD1 PHE A 856 -22.529 -23.660 55.222 1.00 44.41 H new ATOM 0 HD2 PHE A 856 -24.331 -27.176 55.903 1.00 42.73 H new ATOM 0 HE1 PHE A 856 -20.766 -24.291 56.596 1.00 43.88 H new ATOM 0 HE2 PHE A 856 -22.577 -27.817 57.277 1.00 44.54 H new ATOM 0 HZ PHE A 856 -20.784 -26.372 57.624 1.00 44.21 H new ATOM 1532 N TYR A 857 -25.345 -27.235 52.486 1.00 43.51 N ATOM 1533 CA TYR A 857 -25.312 -28.643 52.130 1.00 41.88 C ATOM 1534 C TYR A 857 -24.579 -28.844 50.807 1.00 40.05 C ATOM 1535 O TYR A 857 -23.763 -29.753 50.677 1.00 38.85 O ATOM 1536 CB TYR A 857 -26.739 -29.186 52.000 1.00 44.69 C ATOM 1537 CG TYR A 857 -26.802 -30.623 51.534 1.00 45.96 C ATOM 1538 CD1 TYR A 857 -26.547 -31.670 52.414 1.00 48.74 C ATOM 1539 CD2 TYR A 857 -27.094 -30.934 50.203 1.00 47.80 C ATOM 1540 CE1 TYR A 857 -26.580 -32.996 51.988 1.00 51.54 C ATOM 1541 CE2 TYR A 857 -27.130 -32.258 49.762 1.00 49.49 C ATOM 1542 CZ TYR A 857 -26.872 -33.282 50.661 1.00 52.70 C ATOM 1543 OH TYR A 857 -26.905 -34.593 50.242 1.00 56.77 O ATOM 0 H TYR A 857 -26.137 -26.907 52.559 1.00 43.51 H new ATOM 0 HA TYR A 857 -24.843 -29.122 52.831 1.00 41.88 H new ATOM 0 HB2 TYR A 857 -27.184 -29.113 52.859 1.00 44.69 H new ATOM 0 HB3 TYR A 857 -27.233 -28.630 51.377 1.00 44.69 H new ATOM 0 HD1 TYR A 857 -26.351 -31.481 53.303 1.00 48.74 H new ATOM 0 HD2 TYR A 857 -27.267 -30.247 49.601 1.00 47.80 H new ATOM 0 HE1 TYR A 857 -26.408 -33.685 52.588 1.00 51.54 H new ATOM 0 HE2 TYR A 857 -27.325 -32.452 48.874 1.00 49.49 H new ATOM 0 HH TYR A 857 -27.093 -34.621 49.424 1.00 56.77 H new ATOM 1544 N GLN A 858 -24.886 -27.999 49.824 1.00 39.64 N ATOM 1545 CA GLN A 858 -24.268 -28.094 48.501 1.00 40.07 C ATOM 1546 C GLN A 858 -22.782 -27.761 48.520 1.00 39.59 C ATOM 1547 O GLN A 858 -21.983 -28.395 47.836 1.00 36.69 O ATOM 1548 CB GLN A 858 -24.961 -27.150 47.511 1.00 42.57 C ATOM 1549 CG GLN A 858 -26.451 -27.386 47.349 1.00 46.43 C ATOM 1550 CD GLN A 858 -27.070 -26.451 46.338 1.00 49.11 C ATOM 1551 OE1 GLN A 858 -26.939 -25.229 46.442 1.00 51.16 O ATOM 1552 NE2 GLN A 858 -27.751 -27.017 45.348 1.00 50.87 N ATOM 0 H GLN A 858 -25.454 -27.359 49.904 1.00 39.64 H new ATOM 0 HA GLN A 858 -24.372 -29.017 48.223 1.00 40.07 H new ATOM 0 HB2 GLN A 858 -24.820 -26.235 47.802 1.00 42.57 H new ATOM 0 HB3 GLN A 858 -24.535 -27.240 46.644 1.00 42.57 H new ATOM 0 HG2 GLN A 858 -26.603 -28.304 47.074 1.00 46.43 H new ATOM 0 HG3 GLN A 858 -26.890 -27.270 48.206 1.00 46.43 H new ATOM 0 HE21 GLN A 858 -27.821 -27.873 45.309 1.00 50.87 H new ATOM 0 HE22 GLN A 858 -28.122 -26.527 44.746 1.00 50.87 H new ATOM 1553 N LEU A 859 -22.420 -26.747 49.293 1.00 39.65 N ATOM 1554 CA LEU A 859 -21.032 -26.338 49.373 1.00 39.90 C ATOM 1555 C LEU A 859 -20.182 -27.378 50.079 1.00 39.48 C ATOM 1556 O LEU A 859 -19.068 -27.667 49.643 1.00 40.03 O ATOM 1557 CB LEU A 859 -20.920 -24.988 50.083 1.00 38.99 C ATOM 1558 CG LEU A 859 -21.671 -23.858 49.373 1.00 41.87 C ATOM 1559 CD1 LEU A 859 -21.154 -22.507 49.868 1.00 42.08 C ATOM 1560 CD2 LEU A 859 -21.473 -23.970 47.862 1.00 41.20 C ATOM 0 H LEU A 859 -22.962 -26.286 49.776 1.00 39.65 H new ATOM 0 HA LEU A 859 -20.696 -26.250 48.467 1.00 39.90 H new ATOM 0 HB2 LEU A 859 -21.263 -25.077 50.986 1.00 38.99 H new ATOM 0 HB3 LEU A 859 -19.983 -24.747 50.157 1.00 38.99 H new ATOM 0 HG LEU A 859 -22.618 -23.930 49.572 1.00 41.87 H new ATOM 0 HD11 LEU A 859 -21.631 -21.793 49.417 1.00 42.08 H new ATOM 0 HD12 LEU A 859 -21.297 -22.437 50.825 1.00 42.08 H new ATOM 0 HD13 LEU A 859 -20.206 -22.433 49.677 1.00 42.08 H new ATOM 0 HD21 LEU A 859 -21.951 -23.252 47.419 1.00 41.20 H new ATOM 0 HD22 LEU A 859 -20.528 -23.906 47.654 1.00 41.20 H new ATOM 0 HD23 LEU A 859 -21.814 -24.824 47.553 1.00 41.20 H new ATOM 1561 N THR A 860 -20.699 -27.946 51.163 1.00 37.52 N ATOM 1562 CA THR A 860 -19.942 -28.949 51.891 1.00 38.77 C ATOM 1563 C THR A 860 -19.810 -30.207 51.044 1.00 37.49 C ATOM 1564 O THR A 860 -18.797 -30.904 51.106 1.00 35.96 O ATOM 1565 CB THR A 860 -20.605 -29.281 53.244 1.00 40.95 C ATOM 1566 OG1 THR A 860 -22.003 -29.510 53.047 1.00 41.64 O ATOM 1567 CG2 THR A 860 -20.415 -28.127 54.227 1.00 41.25 C ATOM 0 H THR A 860 -21.475 -27.767 51.488 1.00 37.52 H new ATOM 0 HA THR A 860 -19.060 -28.591 52.076 1.00 38.77 H new ATOM 0 HB THR A 860 -20.189 -30.078 53.609 1.00 40.95 H new ATOM 0 HG1 THR A 860 -22.168 -30.329 53.137 1.00 41.64 H new ATOM 0 HG21 THR A 860 -20.836 -28.349 55.072 1.00 41.25 H new ATOM 0 HG22 THR A 860 -19.468 -27.975 54.368 1.00 41.25 H new ATOM 0 HG23 THR A 860 -20.821 -27.323 53.865 1.00 41.25 H new ATOM 1568 N LYS A 861 -20.838 -30.496 50.250 1.00 37.41 N ATOM 1569 CA LYS A 861 -20.806 -31.656 49.371 1.00 36.03 C ATOM 1570 C LYS A 861 -19.728 -31.390 48.328 1.00 34.90 C ATOM 1571 O LYS A 861 -18.969 -32.281 47.942 1.00 33.61 O ATOM 1572 CB LYS A 861 -22.164 -31.849 48.684 1.00 38.99 C ATOM 1573 CG LYS A 861 -23.146 -32.724 49.459 1.00 38.45 C ATOM 1574 CD LYS A 861 -22.687 -34.167 49.465 1.00 39.47 C ATOM 1575 CE LYS A 861 -23.576 -35.044 50.327 1.00 41.16 C ATOM 1576 NZ LYS A 861 -23.075 -36.457 50.354 1.00 40.50 N ATOM 0 H LYS A 861 -21.561 -30.033 50.207 1.00 37.41 H new ATOM 0 HA LYS A 861 -20.616 -32.462 49.875 1.00 36.03 H new ATOM 0 HB2 LYS A 861 -22.568 -30.979 48.540 1.00 38.99 H new ATOM 0 HB3 LYS A 861 -22.018 -32.242 47.809 1.00 38.99 H new ATOM 0 HG2 LYS A 861 -23.225 -32.401 50.370 1.00 38.45 H new ATOM 0 HG3 LYS A 861 -24.027 -32.662 49.059 1.00 38.45 H new ATOM 0 HD2 LYS A 861 -22.682 -34.507 48.557 1.00 39.47 H new ATOM 0 HD3 LYS A 861 -21.775 -34.214 49.791 1.00 39.47 H new ATOM 0 HE2 LYS A 861 -23.606 -34.691 51.230 1.00 41.16 H new ATOM 0 HE3 LYS A 861 -24.483 -35.026 49.985 1.00 41.16 H new ATOM 0 HZ1 LYS A 861 -23.610 -36.952 50.864 1.00 40.50 H new ATOM 0 HZ2 LYS A 861 -23.067 -36.785 49.527 1.00 40.50 H new ATOM 0 HZ3 LYS A 861 -22.250 -36.473 50.687 1.00 40.50 H new ATOM 1577 N LEU A 862 -19.664 -30.149 47.871 1.00 32.64 N ATOM 1578 CA LEU A 862 -18.669 -29.782 46.886 1.00 34.13 C ATOM 1579 C LEU A 862 -17.270 -29.921 47.496 1.00 35.13 C ATOM 1580 O LEU A 862 -16.373 -30.492 46.878 1.00 35.68 O ATOM 1581 CB LEU A 862 -18.899 -28.353 46.410 1.00 31.61 C ATOM 1582 CG LEU A 862 -17.849 -27.861 45.411 1.00 34.23 C ATOM 1583 CD1 LEU A 862 -17.885 -28.723 44.150 1.00 33.59 C ATOM 1584 CD2 LEU A 862 -18.103 -26.400 45.083 1.00 31.90 C ATOM 0 H LEU A 862 -20.184 -29.510 48.118 1.00 32.64 H new ATOM 0 HA LEU A 862 -18.743 -30.374 46.121 1.00 34.13 H new ATOM 0 HB2 LEU A 862 -19.776 -28.294 46.000 1.00 31.61 H new ATOM 0 HB3 LEU A 862 -18.905 -27.761 47.179 1.00 31.61 H new ATOM 0 HG LEU A 862 -16.965 -27.938 45.803 1.00 34.23 H new ATOM 0 HD11 LEU A 862 -17.218 -28.406 43.522 1.00 33.59 H new ATOM 0 HD12 LEU A 862 -17.697 -29.646 44.383 1.00 33.59 H new ATOM 0 HD13 LEU A 862 -18.764 -28.666 43.744 1.00 33.59 H new ATOM 0 HD21 LEU A 862 -17.437 -26.090 44.450 1.00 31.90 H new ATOM 0 HD22 LEU A 862 -18.987 -26.304 44.695 1.00 31.90 H new ATOM 0 HD23 LEU A 862 -18.048 -25.872 45.895 1.00 31.90 H new ATOM 1585 N LEU A 863 -17.092 -29.402 48.708 1.00 35.46 N ATOM 1586 CA LEU A 863 -15.802 -29.488 49.397 1.00 36.57 C ATOM 1587 C LEU A 863 -15.327 -30.934 49.548 1.00 36.50 C ATOM 1588 O LEU A 863 -14.157 -31.232 49.306 1.00 35.59 O ATOM 1589 CB LEU A 863 -15.888 -28.818 50.770 1.00 34.66 C ATOM 1590 CG LEU A 863 -15.645 -27.310 50.728 1.00 36.47 C ATOM 1591 CD1 LEU A 863 -15.768 -26.726 52.124 1.00 35.48 C ATOM 1592 CD2 LEU A 863 -14.255 -27.037 50.142 1.00 32.98 C ATOM 0 H LEU A 863 -17.706 -28.994 49.151 1.00 35.46 H new ATOM 0 HA LEU A 863 -15.151 -29.021 48.850 1.00 36.57 H new ATOM 0 HB2 LEU A 863 -16.764 -28.987 51.150 1.00 34.66 H new ATOM 0 HB3 LEU A 863 -15.238 -29.227 51.363 1.00 34.66 H new ATOM 0 HG LEU A 863 -16.311 -26.886 50.164 1.00 36.47 H new ATOM 0 HD11 LEU A 863 -15.613 -25.769 52.090 1.00 35.48 H new ATOM 0 HD12 LEU A 863 -16.658 -26.896 52.469 1.00 35.48 H new ATOM 0 HD13 LEU A 863 -15.112 -27.139 52.707 1.00 35.48 H new ATOM 0 HD21 LEU A 863 -14.098 -26.080 50.114 1.00 32.98 H new ATOM 0 HD22 LEU A 863 -13.581 -27.459 50.697 1.00 32.98 H new ATOM 0 HD23 LEU A 863 -14.206 -27.399 49.243 1.00 32.98 H new ATOM 1593 N ASP A 864 -16.239 -31.821 49.943 1.00 36.81 N ATOM 1594 CA ASP A 864 -15.925 -33.242 50.093 1.00 36.57 C ATOM 1595 C ASP A 864 -15.462 -33.853 48.762 1.00 35.36 C ATOM 1596 O ASP A 864 -14.517 -34.641 48.731 1.00 34.84 O ATOM 1597 CB ASP A 864 -17.160 -34.030 50.569 1.00 37.28 C ATOM 1598 CG ASP A 864 -17.495 -33.800 52.034 1.00 40.34 C ATOM 1599 OD1 ASP A 864 -16.771 -33.053 52.718 1.00 40.69 O ATOM 1600 OD2 ASP A 864 -18.495 -34.381 52.509 1.00 40.92 O ATOM 0 H ASP A 864 -17.053 -31.618 50.131 1.00 36.81 H new ATOM 0 HA ASP A 864 -15.214 -33.304 50.750 1.00 36.57 H new ATOM 0 HB2 ASP A 864 -17.924 -33.780 50.026 1.00 37.28 H new ATOM 0 HB3 ASP A 864 -17.007 -34.977 50.424 1.00 37.28 H new ATOM 1601 N SER A 865 -16.128 -33.499 47.663 1.00 35.36 N ATOM 1602 CA SER A 865 -15.774 -34.074 46.365 1.00 36.15 C ATOM 1603 C SER A 865 -14.340 -33.775 45.930 1.00 36.93 C ATOM 1604 O SER A 865 -13.808 -34.430 45.036 1.00 36.45 O ATOM 1605 CB SER A 865 -16.755 -33.618 45.277 1.00 35.64 C ATOM 1606 OG SER A 865 -16.590 -32.246 44.957 1.00 38.64 O ATOM 0 H SER A 865 -16.778 -32.936 47.646 1.00 35.36 H new ATOM 0 HA SER A 865 -15.836 -35.035 46.481 1.00 36.15 H new ATOM 0 HB2 SER A 865 -16.624 -34.154 44.479 1.00 35.64 H new ATOM 0 HB3 SER A 865 -17.664 -33.773 45.577 1.00 35.64 H new ATOM 0 HG SER A 865 -16.306 -31.833 45.631 1.00 38.64 H new ATOM 1607 N VAL A 866 -13.709 -32.796 46.566 1.00 36.86 N ATOM 1608 CA VAL A 866 -12.333 -32.458 46.235 1.00 34.83 C ATOM 1609 C VAL A 866 -11.362 -33.532 46.729 1.00 33.88 C ATOM 1610 O VAL A 866 -10.390 -33.857 46.049 1.00 33.12 O ATOM 1611 CB VAL A 866 -11.916 -31.102 46.865 1.00 35.20 C ATOM 1612 CG1 VAL A 866 -10.446 -30.809 46.568 1.00 34.14 C ATOM 1613 CG2 VAL A 866 -12.784 -29.993 46.327 1.00 34.23 C ATOM 0 H VAL A 866 -14.058 -32.318 47.189 1.00 36.86 H new ATOM 0 HA VAL A 866 -12.290 -32.397 45.268 1.00 34.83 H new ATOM 0 HB VAL A 866 -12.034 -31.156 47.826 1.00 35.20 H new ATOM 0 HG11 VAL A 866 -10.198 -29.960 46.967 1.00 34.14 H new ATOM 0 HG12 VAL A 866 -9.894 -31.514 46.940 1.00 34.14 H new ATOM 0 HG13 VAL A 866 -10.312 -30.767 45.608 1.00 34.14 H new ATOM 0 HG21 VAL A 866 -12.517 -29.150 46.726 1.00 34.23 H new ATOM 0 HG22 VAL A 866 -12.683 -29.941 45.364 1.00 34.23 H new ATOM 0 HG23 VAL A 866 -13.712 -30.173 46.545 1.00 34.23 H new ATOM 1614 N GLN A 867 -11.630 -34.097 47.903 1.00 33.94 N ATOM 1615 CA GLN A 867 -10.726 -35.099 48.485 1.00 33.45 C ATOM 1616 C GLN A 867 -10.465 -36.364 47.659 1.00 33.43 C ATOM 1617 O GLN A 867 -9.322 -36.806 47.539 1.00 30.27 O ATOM 1618 CB GLN A 867 -11.207 -35.486 49.885 1.00 33.78 C ATOM 1619 CG GLN A 867 -11.294 -34.308 50.853 1.00 36.14 C ATOM 1620 CD GLN A 867 -9.985 -33.544 50.986 1.00 36.36 C ATOM 1621 OE1 GLN A 867 -8.905 -34.131 50.962 1.00 36.52 O ATOM 1622 NE2 GLN A 867 -10.080 -32.231 51.149 1.00 34.50 N ATOM 0 H GLN A 867 -12.324 -33.919 48.379 1.00 33.94 H new ATOM 0 HA GLN A 867 -9.866 -34.650 48.507 1.00 33.45 H new ATOM 0 HB2 GLN A 867 -12.081 -35.901 49.815 1.00 33.78 H new ATOM 0 HB3 GLN A 867 -10.605 -36.152 50.252 1.00 33.78 H new ATOM 0 HG2 GLN A 867 -11.987 -33.700 50.552 1.00 36.14 H new ATOM 0 HG3 GLN A 867 -11.562 -34.634 51.727 1.00 36.14 H new ATOM 0 HE21 GLN A 867 -10.853 -31.854 51.161 1.00 34.50 H new ATOM 0 HE22 GLN A 867 -9.369 -31.757 51.243 1.00 34.50 H new ATOM 1623 N PRO A 868 -11.517 -36.974 47.095 1.00 33.00 N ATOM 1624 CA PRO A 868 -11.282 -38.185 46.298 1.00 34.07 C ATOM 1625 C PRO A 868 -10.410 -37.881 45.076 1.00 33.62 C ATOM 1626 O PRO A 868 -9.618 -38.716 44.633 1.00 33.55 O ATOM 1627 CB PRO A 868 -12.696 -38.624 45.907 1.00 34.00 C ATOM 1628 CG PRO A 868 -13.537 -38.124 47.069 1.00 35.80 C ATOM 1629 CD PRO A 868 -12.958 -36.746 47.305 1.00 34.22 C ATOM 0 HA PRO A 868 -10.799 -38.876 46.777 1.00 34.07 H new ATOM 0 HB2 PRO A 868 -12.975 -38.231 45.065 1.00 34.00 H new ATOM 0 HB3 PRO A 868 -12.759 -39.587 45.805 1.00 34.00 H new ATOM 0 HG2 PRO A 868 -14.480 -38.088 46.846 1.00 35.80 H new ATOM 0 HG3 PRO A 868 -13.452 -38.693 47.850 1.00 35.80 H new ATOM 0 HD2 PRO A 868 -13.316 -36.092 46.685 1.00 34.22 H new ATOM 0 HD3 PRO A 868 -13.147 -36.422 48.199 1.00 34.22 H new ATOM 1630 N ILE A 869 -10.569 -36.679 44.532 1.00 33.33 N ATOM 1631 CA ILE A 869 -9.793 -36.266 43.370 1.00 32.46 C ATOM 1632 C ILE A 869 -8.340 -36.060 43.778 1.00 33.00 C ATOM 1633 O ILE A 869 -7.425 -36.489 43.074 1.00 32.35 O ATOM 1634 CB ILE A 869 -10.332 -34.947 42.777 1.00 34.67 C ATOM 1635 CG1 ILE A 869 -11.778 -35.143 42.300 1.00 34.52 C ATOM 1636 CG2 ILE A 869 -9.452 -34.503 41.614 1.00 36.35 C ATOM 1637 CD1 ILE A 869 -12.462 -33.858 41.895 1.00 34.21 C ATOM 0 H ILE A 869 -11.122 -36.087 44.822 1.00 33.33 H new ATOM 0 HA ILE A 869 -9.864 -36.962 42.699 1.00 32.46 H new ATOM 0 HB ILE A 869 -10.317 -34.260 43.462 1.00 34.67 H new ATOM 0 HG12 ILE A 869 -11.782 -35.754 41.546 1.00 34.52 H new ATOM 0 HG13 ILE A 869 -12.290 -35.563 43.009 1.00 34.52 H new ATOM 0 HG21 ILE A 869 -9.796 -33.674 41.246 1.00 36.35 H new ATOM 0 HG22 ILE A 869 -8.545 -34.365 41.929 1.00 36.35 H new ATOM 0 HG23 ILE A 869 -9.455 -35.187 40.926 1.00 36.35 H new ATOM 0 HD11 ILE A 869 -13.368 -34.051 41.605 1.00 34.21 H new ATOM 0 HD12 ILE A 869 -12.487 -33.252 42.652 1.00 34.21 H new ATOM 0 HD13 ILE A 869 -11.971 -33.445 41.167 1.00 34.21 H new ATOM 1638 N ALA A 870 -8.133 -35.403 44.917 1.00 31.23 N ATOM 1639 CA ALA A 870 -6.780 -35.154 45.392 1.00 32.95 C ATOM 1640 C ALA A 870 -6.095 -36.485 45.692 1.00 32.20 C ATOM 1641 O ALA A 870 -4.925 -36.661 45.376 1.00 32.44 O ATOM 1642 CB ALA A 870 -6.802 -34.263 46.633 1.00 29.10 C ATOM 0 H ALA A 870 -8.757 -35.097 45.423 1.00 31.23 H new ATOM 0 HA ALA A 870 -6.280 -34.690 44.703 1.00 32.95 H new ATOM 0 HB1 ALA A 870 -5.894 -34.107 46.936 1.00 29.10 H new ATOM 0 HB2 ALA A 870 -7.220 -33.415 46.415 1.00 29.10 H new ATOM 0 HB3 ALA A 870 -7.307 -34.700 47.337 1.00 29.10 H new ATOM 1643 N ARG A 871 -6.819 -37.436 46.277 1.00 33.54 N ATOM 1644 CA ARG A 871 -6.206 -38.726 46.568 1.00 35.37 C ATOM 1645 C ARG A 871 -5.746 -39.437 45.295 1.00 36.94 C ATOM 1646 O ARG A 871 -4.697 -40.093 45.282 1.00 35.84 O ATOM 1647 CB ARG A 871 -7.155 -39.653 47.324 1.00 38.39 C ATOM 1648 CG ARG A 871 -6.413 -40.893 47.822 1.00 43.88 C ATOM 1649 CD ARG A 871 -7.318 -42.079 48.106 1.00 48.73 C ATOM 1650 NE ARG A 871 -6.522 -43.278 48.371 1.00 50.78 N ATOM 1651 CZ ARG A 871 -5.877 -43.515 49.509 1.00 50.44 C ATOM 1652 NH1 ARG A 871 -5.938 -42.641 50.502 1.00 51.50 N ATOM 1653 NH2 ARG A 871 -5.146 -44.616 49.643 1.00 49.73 N ATOM 0 H ARG A 871 -7.644 -37.358 46.508 1.00 33.54 H new ATOM 0 HA ARG A 871 -5.436 -38.532 47.126 1.00 35.37 H new ATOM 0 HB2 ARG A 871 -7.546 -39.181 48.075 1.00 38.39 H new ATOM 0 HB3 ARG A 871 -7.886 -39.918 46.744 1.00 38.39 H new ATOM 0 HG2 ARG A 871 -5.753 -41.152 47.160 1.00 43.88 H new ATOM 0 HG3 ARG A 871 -5.929 -40.666 48.631 1.00 43.88 H new ATOM 0 HD2 ARG A 871 -7.885 -41.885 48.869 1.00 48.73 H new ATOM 0 HD3 ARG A 871 -7.904 -42.234 47.349 1.00 48.73 H new ATOM 0 HE ARG A 871 -6.468 -43.869 47.749 1.00 50.78 H new ATOM 0 HH11 ARG A 871 -6.396 -41.918 50.411 1.00 51.50 H new ATOM 0 HH12 ARG A 871 -5.520 -42.796 51.238 1.00 51.50 H new ATOM 0 HH21 ARG A 871 -5.090 -45.176 48.993 1.00 49.73 H new ATOM 0 HH22 ARG A 871 -4.729 -44.768 50.380 1.00 49.73 H new ATOM 1654 N GLU A 872 -6.530 -39.328 44.224 1.00 35.57 N ATOM 1655 CA GLU A 872 -6.144 -39.972 42.974 1.00 35.65 C ATOM 1656 C GLU A 872 -4.860 -39.337 42.440 1.00 33.86 C ATOM 1657 O GLU A 872 -4.003 -40.017 41.881 1.00 32.90 O ATOM 1658 CB GLU A 872 -7.263 -39.855 41.934 1.00 38.13 C ATOM 1659 CG GLU A 872 -8.470 -40.740 42.222 1.00 45.39 C ATOM 1660 CD GLU A 872 -9.394 -40.873 41.022 1.00 49.78 C ATOM 1661 OE1 GLU A 872 -10.430 -41.562 41.132 1.00 52.13 O ATOM 1662 OE2 GLU A 872 -9.081 -40.294 39.962 1.00 54.12 O ATOM 0 H GLU A 872 -7.273 -38.896 44.200 1.00 35.57 H new ATOM 0 HA GLU A 872 -5.987 -40.914 43.146 1.00 35.65 H new ATOM 0 HB2 GLU A 872 -7.554 -38.931 41.888 1.00 38.13 H new ATOM 0 HB3 GLU A 872 -6.906 -40.084 41.061 1.00 38.13 H new ATOM 0 HG2 GLU A 872 -8.165 -41.621 42.491 1.00 45.39 H new ATOM 0 HG3 GLU A 872 -8.966 -40.372 42.969 1.00 45.39 H new ATOM 1663 N LEU A 873 -4.731 -38.030 42.624 1.00 31.92 N ATOM 1664 CA LEU A 873 -3.548 -37.316 42.172 1.00 32.47 C ATOM 1665 C LEU A 873 -2.363 -37.659 43.067 1.00 31.85 C ATOM 1666 O LEU A 873 -1.230 -37.739 42.601 1.00 31.32 O ATOM 1667 CB LEU A 873 -3.821 -35.806 42.174 1.00 32.40 C ATOM 1668 CG LEU A 873 -4.807 -35.405 41.070 1.00 33.09 C ATOM 1669 CD1 LEU A 873 -5.236 -33.959 41.224 1.00 32.50 C ATOM 1670 CD2 LEU A 873 -4.149 -35.632 39.714 1.00 34.09 C ATOM 0 H LEU A 873 -5.320 -37.537 43.010 1.00 31.92 H new ATOM 0 HA LEU A 873 -3.332 -37.586 41.266 1.00 32.47 H new ATOM 0 HB2 LEU A 873 -4.177 -35.543 43.037 1.00 32.40 H new ATOM 0 HB3 LEU A 873 -2.987 -35.326 42.053 1.00 32.40 H new ATOM 0 HG LEU A 873 -5.605 -35.952 41.139 1.00 33.09 H new ATOM 0 HD11 LEU A 873 -5.858 -33.729 40.516 1.00 32.50 H new ATOM 0 HD12 LEU A 873 -5.667 -33.839 42.085 1.00 32.50 H new ATOM 0 HD13 LEU A 873 -4.458 -33.383 41.170 1.00 32.50 H new ATOM 0 HD21 LEU A 873 -4.766 -35.381 39.009 1.00 34.09 H new ATOM 0 HD22 LEU A 873 -3.346 -35.091 39.649 1.00 34.09 H new ATOM 0 HD23 LEU A 873 -3.915 -36.569 39.620 1.00 34.09 H new ATOM 1671 N HIS A 874 -2.635 -37.872 44.352 1.00 31.89 N ATOM 1672 CA HIS A 874 -1.594 -38.240 45.308 1.00 32.62 C ATOM 1673 C HIS A 874 -0.998 -39.581 44.910 1.00 32.68 C ATOM 1674 O HIS A 874 0.225 -39.730 44.831 1.00 29.36 O ATOM 1675 CB HIS A 874 -2.180 -38.348 46.717 1.00 32.36 C ATOM 1676 CG HIS A 874 -2.359 -37.029 47.392 1.00 32.17 C ATOM 1677 ND1 HIS A 874 -3.350 -36.797 48.322 1.00 33.19 N ATOM 1678 CD2 HIS A 874 -1.664 -35.873 47.285 1.00 30.19 C ATOM 1679 CE1 HIS A 874 -3.257 -35.554 48.759 1.00 31.47 C ATOM 1680 NE2 HIS A 874 -2.242 -34.973 48.146 1.00 33.24 N ATOM 0 H HIS A 874 -3.422 -37.808 44.692 1.00 31.89 H new ATOM 0 HA HIS A 874 -0.907 -37.556 45.303 1.00 32.62 H new ATOM 0 HB2 HIS A 874 -3.038 -38.797 46.669 1.00 32.36 H new ATOM 0 HB3 HIS A 874 -1.599 -38.904 47.259 1.00 32.36 H new ATOM 0 HD1 HIS A 874 -3.937 -37.372 48.578 1.00 33.19 H new ATOM 0 HD2 HIS A 874 -0.932 -35.717 46.732 1.00 30.19 H new ATOM 0 HE1 HIS A 874 -3.812 -35.156 49.391 1.00 31.47 H new ATOM 1681 N GLN A 875 -1.868 -40.558 44.665 1.00 32.88 N ATOM 1682 CA GLN A 875 -1.409 -41.882 44.259 1.00 35.17 C ATOM 1683 C GLN A 875 -0.599 -41.773 42.972 1.00 34.44 C ATOM 1684 O GLN A 875 0.480 -42.356 42.854 1.00 31.97 O ATOM 1685 CB GLN A 875 -2.596 -42.830 44.041 1.00 38.31 C ATOM 1686 CG GLN A 875 -3.284 -43.261 45.340 1.00 47.00 C ATOM 1687 CD GLN A 875 -4.271 -44.403 45.144 1.00 49.57 C ATOM 1688 OE1 GLN A 875 -4.420 -44.850 43.900 1.00 49.21 O flip ATOM 1689 NE2 GLN A 875 -4.891 -44.876 46.098 1.00 54.46 N flip ATOM 0 H GLN A 875 -2.722 -40.475 44.728 1.00 32.88 H new ATOM 0 HA GLN A 875 -0.852 -42.243 44.967 1.00 35.17 H new ATOM 0 HB2 GLN A 875 -3.247 -42.395 43.468 1.00 38.31 H new ATOM 0 HB3 GLN A 875 -2.287 -43.620 43.570 1.00 38.31 H new ATOM 0 HG2 GLN A 875 -2.609 -43.531 45.983 1.00 47.00 H new ATOM 0 HG3 GLN A 875 -3.750 -42.500 45.721 1.00 47.00 H new ATOM 0 HE21 GLN A 875 -4.769 -44.561 46.889 1.00 54.46 H new ATOM 0 HE22 GLN A 875 -5.446 -45.521 45.973 1.00 54.46 H new ATOM 1690 N PHE A 876 -1.125 -41.009 42.017 1.00 34.18 N ATOM 1691 CA PHE A 876 -0.470 -40.820 40.724 1.00 33.87 C ATOM 1692 C PHE A 876 0.910 -40.162 40.812 1.00 32.47 C ATOM 1693 O PHE A 876 1.872 -40.655 40.224 1.00 34.81 O ATOM 1694 CB PHE A 876 -1.375 -40.001 39.795 1.00 33.71 C ATOM 1695 CG PHE A 876 -0.840 -39.857 38.394 1.00 35.57 C ATOM 1696 CD1 PHE A 876 0.073 -38.856 38.081 1.00 34.61 C ATOM 1697 CD2 PHE A 876 -1.236 -40.740 37.389 1.00 37.78 C ATOM 1698 CE1 PHE A 876 0.586 -38.736 36.786 1.00 37.65 C ATOM 1699 CE2 PHE A 876 -0.727 -40.629 36.089 1.00 36.99 C ATOM 1700 CZ PHE A 876 0.186 -39.624 35.789 1.00 37.27 C ATOM 0 H PHE A 876 -1.870 -40.587 42.100 1.00 34.18 H new ATOM 0 HA PHE A 876 -0.324 -41.709 40.365 1.00 33.87 H new ATOM 0 HB2 PHE A 876 -2.249 -40.420 39.757 1.00 33.71 H new ATOM 0 HB3 PHE A 876 -1.501 -39.118 40.176 1.00 33.71 H new ATOM 0 HD1 PHE A 876 0.345 -38.260 38.741 1.00 34.61 H new ATOM 0 HD2 PHE A 876 -1.847 -41.413 37.585 1.00 37.78 H new ATOM 0 HE1 PHE A 876 1.196 -38.062 36.589 1.00 37.65 H new ATOM 0 HE2 PHE A 876 -0.999 -41.225 35.429 1.00 36.99 H new ATOM 0 HZ PHE A 876 0.528 -39.545 34.928 1.00 37.27 H new ATOM 1701 N THR A 877 1.022 -39.057 41.535 1.00 32.04 N ATOM 1702 CA THR A 877 2.317 -38.397 41.625 1.00 33.68 C ATOM 1703 C THR A 877 3.320 -39.258 42.400 1.00 34.84 C ATOM 1704 O THR A 877 4.522 -39.273 42.080 1.00 32.82 O ATOM 1705 CB THR A 877 2.200 -37.001 42.267 1.00 33.27 C ATOM 1706 OG1 THR A 877 3.425 -36.288 42.062 1.00 32.20 O ATOM 1707 CG2 THR A 877 1.919 -37.105 43.757 1.00 34.42 C ATOM 0 H THR A 877 0.382 -38.681 41.970 1.00 32.04 H new ATOM 0 HA THR A 877 2.644 -38.282 40.719 1.00 33.68 H new ATOM 0 HB THR A 877 1.461 -36.530 41.851 1.00 33.27 H new ATOM 0 HG1 THR A 877 3.407 -35.910 41.312 1.00 32.20 H new ATOM 0 HG21 THR A 877 1.850 -36.215 44.136 1.00 34.42 H new ATOM 0 HG22 THR A 877 1.086 -37.581 43.897 1.00 34.42 H new ATOM 0 HG23 THR A 877 2.642 -37.585 44.190 1.00 34.42 H new ATOM 1708 N PHE A 878 2.822 -39.984 43.402 1.00 33.96 N ATOM 1709 CA PHE A 878 3.674 -40.871 44.189 1.00 36.26 C ATOM 1710 C PHE A 878 4.276 -41.934 43.270 1.00 36.43 C ATOM 1711 O PHE A 878 5.489 -42.130 43.250 1.00 35.53 O ATOM 1712 CB PHE A 878 2.878 -41.561 45.307 1.00 36.46 C ATOM 1713 CG PHE A 878 3.663 -42.630 46.039 1.00 36.70 C ATOM 1714 CD1 PHE A 878 4.693 -42.285 46.918 1.00 38.55 C ATOM 1715 CD2 PHE A 878 3.402 -43.981 45.815 1.00 34.12 C ATOM 1716 CE1 PHE A 878 5.453 -43.278 47.560 1.00 35.87 C ATOM 1717 CE2 PHE A 878 4.150 -44.974 46.445 1.00 34.32 C ATOM 1718 CZ PHE A 878 5.181 -44.621 47.321 1.00 34.58 C ATOM 0 H PHE A 878 1.996 -39.976 43.640 1.00 33.96 H new ATOM 0 HA PHE A 878 4.375 -40.339 44.597 1.00 36.26 H new ATOM 0 HB2 PHE A 878 2.584 -40.892 45.945 1.00 36.46 H new ATOM 0 HB3 PHE A 878 2.080 -41.960 44.927 1.00 36.46 H new ATOM 0 HD1 PHE A 878 4.878 -41.388 47.080 1.00 38.55 H new ATOM 0 HD2 PHE A 878 2.717 -44.224 45.235 1.00 34.12 H new ATOM 0 HE1 PHE A 878 6.136 -43.038 48.143 1.00 35.87 H new ATOM 0 HE2 PHE A 878 3.964 -45.871 46.283 1.00 34.32 H new ATOM 0 HZ PHE A 878 5.683 -45.281 47.742 1.00 34.58 H new ATOM 1719 N ASP A 879 3.428 -42.626 42.512 1.00 37.76 N ATOM 1720 CA ASP A 879 3.923 -43.650 41.598 1.00 39.79 C ATOM 1721 C ASP A 879 4.913 -43.040 40.612 1.00 39.47 C ATOM 1722 O ASP A 879 5.938 -43.643 40.297 1.00 39.82 O ATOM 1723 CB ASP A 879 2.773 -44.306 40.826 1.00 40.82 C ATOM 1724 CG ASP A 879 1.807 -45.046 41.734 1.00 44.53 C ATOM 1725 OD1 ASP A 879 2.250 -45.580 42.778 1.00 45.57 O ATOM 1726 OD2 ASP A 879 0.604 -45.109 41.397 1.00 45.82 O ATOM 0 H ASP A 879 2.575 -42.520 42.512 1.00 37.76 H new ATOM 0 HA ASP A 879 4.368 -44.331 42.127 1.00 39.79 H new ATOM 0 HB2 ASP A 879 2.290 -43.625 40.332 1.00 40.82 H new ATOM 0 HB3 ASP A 879 3.137 -44.925 40.174 1.00 40.82 H new ATOM 1727 N LEU A 880 4.609 -41.834 40.140 1.00 39.17 N ATOM 1728 CA LEU A 880 5.474 -41.155 39.185 1.00 39.14 C ATOM 1729 C LEU A 880 6.837 -40.781 39.776 1.00 39.31 C ATOM 1730 O LEU A 880 7.849 -40.852 39.087 1.00 39.50 O ATOM 1731 CB LEU A 880 4.779 -39.901 38.641 1.00 39.32 C ATOM 1732 CG LEU A 880 5.538 -39.087 37.584 1.00 38.42 C ATOM 1733 CD1 LEU A 880 6.066 -39.996 36.476 1.00 38.15 C ATOM 1734 CD2 LEU A 880 4.610 -38.038 37.004 1.00 37.64 C ATOM 0 H LEU A 880 3.905 -41.393 40.362 1.00 39.17 H new ATOM 0 HA LEU A 880 5.640 -41.781 38.463 1.00 39.14 H new ATOM 0 HB2 LEU A 880 3.928 -40.169 38.261 1.00 39.32 H new ATOM 0 HB3 LEU A 880 4.584 -39.316 39.390 1.00 39.32 H new ATOM 0 HG LEU A 880 6.298 -38.654 38.003 1.00 38.42 H new ATOM 0 HD11 LEU A 880 6.542 -39.463 35.819 1.00 38.15 H new ATOM 0 HD12 LEU A 880 6.669 -40.654 36.857 1.00 38.15 H new ATOM 0 HD13 LEU A 880 5.323 -40.449 36.047 1.00 38.15 H new ATOM 0 HD21 LEU A 880 5.085 -37.520 36.335 1.00 37.64 H new ATOM 0 HD22 LEU A 880 3.846 -38.473 36.594 1.00 37.64 H new ATOM 0 HD23 LEU A 880 4.305 -37.449 37.712 1.00 37.64 H new ATOM 1735 N LEU A 881 6.861 -40.371 41.040 1.00 38.60 N ATOM 1736 CA LEU A 881 8.119 -40.007 41.689 1.00 39.31 C ATOM 1737 C LEU A 881 9.021 -41.236 41.723 1.00 39.92 C ATOM 1738 O LEU A 881 10.182 -41.188 41.316 1.00 38.38 O ATOM 1739 CB LEU A 881 7.871 -39.529 43.124 1.00 37.05 C ATOM 1740 CG LEU A 881 9.147 -39.215 43.919 1.00 36.81 C ATOM 1741 CD1 LEU A 881 9.878 -38.044 43.274 1.00 34.86 C ATOM 1742 CD2 LEU A 881 8.801 -38.893 45.352 1.00 33.15 C ATOM 0 H LEU A 881 6.164 -40.296 41.539 1.00 38.60 H new ATOM 0 HA LEU A 881 8.536 -39.287 41.191 1.00 39.31 H new ATOM 0 HB2 LEU A 881 7.316 -38.734 43.097 1.00 37.05 H new ATOM 0 HB3 LEU A 881 7.368 -40.210 43.597 1.00 37.05 H new ATOM 0 HG LEU A 881 9.727 -39.992 43.910 1.00 36.81 H new ATOM 0 HD11 LEU A 881 10.683 -37.848 43.778 1.00 34.86 H new ATOM 0 HD12 LEU A 881 10.116 -38.273 42.362 1.00 34.86 H new ATOM 0 HD13 LEU A 881 9.301 -37.264 43.271 1.00 34.86 H new ATOM 0 HD21 LEU A 881 9.613 -38.696 45.845 1.00 33.15 H new ATOM 0 HD22 LEU A 881 8.213 -38.122 45.378 1.00 33.15 H new ATOM 0 HD23 LEU A 881 8.354 -39.653 45.756 1.00 33.15 H new ATOM 1743 N ILE A 882 8.458 -42.336 42.213 1.00 40.92 N ATOM 1744 CA ILE A 882 9.159 -43.609 42.317 1.00 42.28 C ATOM 1745 C ILE A 882 9.828 -44.029 41.010 1.00 44.76 C ATOM 1746 O ILE A 882 10.967 -44.488 41.024 1.00 46.53 O ATOM 1747 CB ILE A 882 8.185 -44.728 42.780 1.00 41.02 C ATOM 1748 CG1 ILE A 882 7.674 -44.416 44.188 1.00 39.07 C ATOM 1749 CG2 ILE A 882 8.874 -46.089 42.749 1.00 42.81 C ATOM 1750 CD1 ILE A 882 8.772 -44.243 45.239 1.00 39.03 C ATOM 0 H ILE A 882 7.647 -42.363 42.498 1.00 40.92 H new ATOM 0 HA ILE A 882 9.860 -43.482 42.975 1.00 42.28 H new ATOM 0 HB ILE A 882 7.431 -44.760 42.170 1.00 41.02 H new ATOM 0 HG12 ILE A 882 7.144 -43.605 44.155 1.00 39.07 H new ATOM 0 HG13 ILE A 882 7.082 -45.131 44.470 1.00 39.07 H new ATOM 0 HG21 ILE A 882 8.252 -46.774 43.041 1.00 42.81 H new ATOM 0 HG22 ILE A 882 9.167 -46.283 41.845 1.00 42.81 H new ATOM 0 HG23 ILE A 882 9.642 -46.077 43.342 1.00 42.81 H new ATOM 0 HD11 ILE A 882 8.369 -44.049 46.100 1.00 39.03 H new ATOM 0 HD12 ILE A 882 9.291 -45.060 45.303 1.00 39.03 H new ATOM 0 HD13 ILE A 882 9.354 -43.510 44.982 1.00 39.03 H new ATOM 1751 N LYS A 883 9.140 -43.869 39.881 1.00 46.76 N ATOM 1752 CA LYS A 883 9.721 -44.262 38.595 1.00 49.36 C ATOM 1753 C LYS A 883 10.130 -43.092 37.699 1.00 50.82 C ATOM 1754 O LYS A 883 10.331 -43.267 36.496 1.00 52.25 O ATOM 1755 CB LYS A 883 8.751 -45.161 37.824 1.00 49.62 C ATOM 1756 CG LYS A 883 7.522 -44.449 37.273 1.00 52.38 C ATOM 1757 CD LYS A 883 6.675 -45.414 36.458 1.00 55.31 C ATOM 1758 CE LYS A 883 5.438 -44.739 35.887 1.00 57.99 C ATOM 1759 NZ LYS A 883 4.512 -44.271 36.957 1.00 59.34 N ATOM 0 H LYS A 883 8.347 -43.540 39.836 1.00 46.76 H new ATOM 0 HA LYS A 883 10.535 -44.738 38.821 1.00 49.36 H new ATOM 0 HB2 LYS A 883 9.228 -45.573 37.087 1.00 49.62 H new ATOM 0 HB3 LYS A 883 8.459 -45.877 38.409 1.00 49.62 H new ATOM 0 HG2 LYS A 883 6.997 -44.085 38.003 1.00 52.38 H new ATOM 0 HG3 LYS A 883 7.795 -43.701 36.719 1.00 52.38 H new ATOM 0 HD2 LYS A 883 7.207 -45.779 35.734 1.00 55.31 H new ATOM 0 HD3 LYS A 883 6.407 -46.160 37.017 1.00 55.31 H new ATOM 0 HE2 LYS A 883 5.706 -43.984 35.340 1.00 57.99 H new ATOM 0 HE3 LYS A 883 4.971 -45.360 35.305 1.00 57.99 H new ATOM 0 HZ1 LYS A 883 3.682 -44.237 36.638 1.00 59.34 H new ATOM 0 HZ2 LYS A 883 4.542 -44.836 37.644 1.00 59.34 H new ATOM 0 HZ3 LYS A 883 4.758 -43.460 37.229 1.00 59.34 H new ATOM 1760 N SER A 884 10.261 -41.908 38.285 1.00 51.07 N ATOM 1761 CA SER A 884 10.636 -40.716 37.532 1.00 53.61 C ATOM 1762 C SER A 884 11.896 -40.893 36.679 1.00 55.13 C ATOM 1763 O SER A 884 11.917 -40.518 35.507 1.00 54.70 O ATOM 1764 CB SER A 884 10.829 -39.541 38.490 1.00 52.14 C ATOM 1765 OG SER A 884 11.745 -39.882 39.516 1.00 53.33 O ATOM 0 H SER A 884 10.136 -41.772 39.125 1.00 51.07 H new ATOM 0 HA SER A 884 9.908 -40.544 36.915 1.00 53.61 H new ATOM 0 HB2 SER A 884 11.155 -38.769 38.002 1.00 52.14 H new ATOM 0 HB3 SER A 884 9.977 -39.291 38.880 1.00 52.14 H new ATOM 0 HG SER A 884 11.342 -40.295 40.126 1.00 53.33 H new ATOM 1766 N HIS A 885 12.944 -41.459 37.268 1.00 57.82 N ATOM 1767 CA HIS A 885 14.198 -41.667 36.548 1.00 61.47 C ATOM 1768 C HIS A 885 14.028 -42.545 35.312 1.00 62.27 C ATOM 1769 O HIS A 885 14.814 -42.461 34.366 1.00 62.77 O ATOM 1770 CB HIS A 885 15.242 -42.293 37.478 1.00 62.68 C ATOM 1771 CG HIS A 885 14.799 -43.579 38.104 1.00 65.54 C ATOM 1772 ND1 HIS A 885 13.686 -43.669 38.913 1.00 67.04 N ATOM 1773 CD2 HIS A 885 15.324 -44.826 38.047 1.00 66.56 C ATOM 1774 CE1 HIS A 885 13.545 -44.916 39.328 1.00 67.76 C ATOM 1775 NE2 HIS A 885 14.526 -45.638 38.817 1.00 67.99 N ATOM 0 H HIS A 885 12.951 -41.730 38.084 1.00 57.82 H new ATOM 0 HA HIS A 885 14.497 -40.794 36.248 1.00 61.47 H new ATOM 0 HB2 HIS A 885 16.057 -42.451 36.976 1.00 62.68 H new ATOM 0 HB3 HIS A 885 15.459 -41.659 38.180 1.00 62.68 H new ATOM 0 HD2 HIS A 885 16.083 -45.085 37.575 1.00 66.56 H new ATOM 0 HE1 HIS A 885 12.870 -45.231 39.885 1.00 67.76 H new ATOM 0 HE2 HIS A 885 14.646 -46.480 38.945 1.00 67.99 H new ATOM 1776 N MET A 886 12.993 -43.375 35.315 1.00 63.17 N ATOM 1777 CA MET A 886 12.737 -44.279 34.202 1.00 64.00 C ATOM 1778 C MET A 886 11.887 -43.676 33.077 1.00 63.25 C ATOM 1779 O MET A 886 11.850 -44.221 31.973 1.00 63.24 O ATOM 1780 CB MET A 886 12.072 -45.556 34.724 1.00 67.43 C ATOM 1781 CG MET A 886 12.666 -46.847 34.173 1.00 72.00 C ATOM 1782 SD MET A 886 14.424 -47.060 34.580 1.00 77.21 S ATOM 1783 CE MET A 886 14.313 -47.719 36.254 1.00 76.46 C ATOM 0 H MET A 886 12.423 -43.430 35.957 1.00 63.17 H new ATOM 0 HA MET A 886 13.602 -44.471 33.807 1.00 64.00 H new ATOM 0 HB2 MET A 886 12.138 -45.570 35.692 1.00 67.43 H new ATOM 0 HB3 MET A 886 11.127 -45.528 34.505 1.00 67.43 H new ATOM 0 HG2 MET A 886 12.166 -47.601 34.523 1.00 72.00 H new ATOM 0 HG3 MET A 886 12.560 -46.859 33.209 1.00 72.00 H new ATOM 0 HE1 MET A 886 15.168 -47.617 36.700 1.00 76.46 H new ATOM 0 HE2 MET A 886 13.632 -47.236 36.748 1.00 76.46 H new ATOM 0 HE3 MET A 886 14.079 -48.660 36.217 1.00 76.46 H new ATOM 1784 N VAL A 887 11.203 -42.565 33.345 1.00 61.12 N ATOM 1785 CA VAL A 887 10.370 -41.933 32.318 1.00 59.00 C ATOM 1786 C VAL A 887 10.833 -40.528 31.953 1.00 57.51 C ATOM 1787 O VAL A 887 10.183 -39.836 31.171 1.00 56.14 O ATOM 1788 CB VAL A 887 8.880 -41.867 32.741 1.00 59.50 C ATOM 1789 CG1 VAL A 887 8.286 -43.267 32.766 1.00 58.46 C ATOM 1790 CG2 VAL A 887 8.750 -41.194 34.105 1.00 58.28 C ATOM 0 H VAL A 887 11.206 -42.164 34.106 1.00 61.12 H new ATOM 0 HA VAL A 887 10.465 -42.501 31.537 1.00 59.00 H new ATOM 0 HB VAL A 887 8.388 -41.337 32.095 1.00 59.50 H new ATOM 0 HG11 VAL A 887 7.354 -43.219 33.031 1.00 58.46 H new ATOM 0 HG12 VAL A 887 8.350 -43.662 31.882 1.00 58.46 H new ATOM 0 HG13 VAL A 887 8.774 -43.815 33.400 1.00 58.46 H new ATOM 0 HG21 VAL A 887 7.815 -41.158 34.360 1.00 58.28 H new ATOM 0 HG22 VAL A 887 9.246 -41.703 34.766 1.00 58.28 H new ATOM 0 HG23 VAL A 887 9.107 -40.293 34.057 1.00 58.28 H new ATOM 1791 N SER A 888 11.959 -40.116 32.526 1.00 57.12 N ATOM 1792 CA SER A 888 12.540 -38.802 32.253 1.00 55.29 C ATOM 1793 C SER A 888 11.721 -37.637 32.783 1.00 54.07 C ATOM 1794 O SER A 888 11.765 -36.542 32.231 1.00 53.48 O ATOM 1795 CB SER A 888 12.752 -38.629 30.751 1.00 54.64 C ATOM 1796 OG SER A 888 13.563 -39.672 30.244 1.00 56.45 O ATOM 0 H SER A 888 12.409 -40.590 33.085 1.00 57.12 H new ATOM 0 HA SER A 888 13.385 -38.782 32.728 1.00 55.29 H new ATOM 0 HB2 SER A 888 11.896 -38.627 30.296 1.00 54.64 H new ATOM 0 HB3 SER A 888 13.170 -37.772 30.574 1.00 54.64 H new ATOM 0 HG SER A 888 13.671 -39.567 29.418 1.00 56.45 H new ATOM 1797 N VAL A 889 10.977 -37.875 33.858 1.00 54.33 N ATOM 1798 CA VAL A 889 10.159 -36.833 34.465 1.00 52.30 C ATOM 1799 C VAL A 889 10.922 -36.238 35.644 1.00 52.13 C ATOM 1800 O VAL A 889 11.350 -36.957 36.549 1.00 51.18 O ATOM 1801 CB VAL A 889 8.799 -37.402 34.941 1.00 52.52 C ATOM 1802 CG1 VAL A 889 8.048 -36.367 35.763 1.00 50.04 C ATOM 1803 CG2 VAL A 889 7.968 -37.820 33.734 1.00 50.07 C ATOM 0 H VAL A 889 10.932 -38.638 34.253 1.00 54.33 H new ATOM 0 HA VAL A 889 9.976 -36.145 33.806 1.00 52.30 H new ATOM 0 HB VAL A 889 8.961 -38.177 35.501 1.00 52.52 H new ATOM 0 HG11 VAL A 889 7.200 -36.737 36.053 1.00 50.04 H new ATOM 0 HG12 VAL A 889 8.577 -36.124 36.539 1.00 50.04 H new ATOM 0 HG13 VAL A 889 7.887 -35.578 35.222 1.00 50.04 H new ATOM 0 HG21 VAL A 889 7.117 -38.176 34.034 1.00 50.07 H new ATOM 0 HG22 VAL A 889 7.813 -37.050 33.165 1.00 50.07 H new ATOM 0 HG23 VAL A 889 8.444 -38.501 33.233 1.00 50.07 H new ATOM 1804 N ASP A 890 11.092 -34.920 35.622 1.00 51.75 N ATOM 1805 CA ASP A 890 11.819 -34.221 36.672 1.00 52.35 C ATOM 1806 C ASP A 890 10.920 -33.669 37.772 1.00 50.37 C ATOM 1807 O ASP A 890 9.883 -33.063 37.500 1.00 48.99 O ATOM 1808 CB ASP A 890 12.631 -33.066 36.071 1.00 57.26 C ATOM 1809 CG ASP A 890 13.569 -33.521 34.970 1.00 60.97 C ATOM 1810 OD1 ASP A 890 13.075 -33.931 33.899 1.00 64.66 O ATOM 1811 OD2 ASP A 890 14.802 -33.472 35.175 1.00 64.44 O ATOM 0 H ASP A 890 10.790 -34.409 35.000 1.00 51.75 H new ATOM 0 HA ASP A 890 12.402 -34.881 37.079 1.00 52.35 H new ATOM 0 HB2 ASP A 890 12.023 -32.398 35.717 1.00 57.26 H new ATOM 0 HB3 ASP A 890 13.146 -32.638 36.773 1.00 57.26 H new ATOM 1812 N PHE A 891 11.337 -33.877 39.017 1.00 48.92 N ATOM 1813 CA PHE A 891 10.604 -33.390 40.177 1.00 47.03 C ATOM 1814 C PHE A 891 11.449 -32.361 40.912 1.00 46.80 C ATOM 1815 O PHE A 891 12.551 -32.672 41.355 1.00 47.39 O ATOM 1816 CB PHE A 891 10.290 -34.529 41.159 1.00 43.64 C ATOM 1817 CG PHE A 891 9.090 -35.359 40.785 1.00 42.81 C ATOM 1818 CD1 PHE A 891 9.161 -36.294 39.759 1.00 40.65 C ATOM 1819 CD2 PHE A 891 7.893 -35.223 41.487 1.00 40.36 C ATOM 1820 CE1 PHE A 891 8.053 -37.089 39.437 1.00 41.86 C ATOM 1821 CE2 PHE A 891 6.782 -36.010 41.173 1.00 38.95 C ATOM 1822 CZ PHE A 891 6.862 -36.942 40.150 1.00 40.12 C ATOM 0 H PHE A 891 12.056 -34.306 39.212 1.00 48.92 H new ATOM 0 HA PHE A 891 9.773 -33.002 39.860 1.00 47.03 H new ATOM 0 HB2 PHE A 891 11.064 -35.110 41.222 1.00 43.64 H new ATOM 0 HB3 PHE A 891 10.146 -34.151 42.041 1.00 43.64 H new ATOM 0 HD1 PHE A 891 9.953 -36.393 39.281 1.00 40.65 H new ATOM 0 HD2 PHE A 891 7.833 -34.599 42.174 1.00 40.36 H new ATOM 0 HE1 PHE A 891 8.111 -37.713 38.750 1.00 41.86 H new ATOM 0 HE2 PHE A 891 5.990 -35.909 41.650 1.00 38.95 H new ATOM 0 HZ PHE A 891 6.124 -37.468 39.939 1.00 40.12 H new ATOM 1823 N PRO A 892 10.949 -31.122 41.047 1.00 46.91 N ATOM 1824 CA PRO A 892 11.706 -30.087 41.756 1.00 46.46 C ATOM 1825 C PRO A 892 11.948 -30.554 43.188 1.00 46.82 C ATOM 1826 O PRO A 892 11.322 -31.513 43.649 1.00 46.78 O ATOM 1827 CB PRO A 892 10.781 -28.878 41.677 1.00 46.84 C ATOM 1828 CG PRO A 892 10.105 -29.079 40.360 1.00 46.05 C ATOM 1829 CD PRO A 892 9.755 -30.545 40.407 1.00 45.92 C ATOM 0 HA PRO A 892 12.582 -29.888 41.390 1.00 46.46 H new ATOM 0 HB2 PRO A 892 10.146 -28.860 42.410 1.00 46.84 H new ATOM 0 HB3 PRO A 892 11.274 -28.043 41.707 1.00 46.84 H new ATOM 0 HG2 PRO A 892 9.317 -28.521 40.267 1.00 46.05 H new ATOM 0 HG3 PRO A 892 10.691 -28.869 39.616 1.00 46.05 H new ATOM 0 HD2 PRO A 892 8.950 -30.710 40.923 1.00 45.92 H new ATOM 0 HD3 PRO A 892 9.604 -30.911 39.522 1.00 45.92 H new ATOM 1830 N GLU A 893 12.833 -29.865 43.899 1.00 46.82 N ATOM 1831 CA GLU A 893 13.189 -30.250 45.261 1.00 46.64 C ATOM 1832 C GLU A 893 12.096 -30.346 46.333 1.00 45.00 C ATOM 1833 O GLU A 893 12.007 -31.358 47.031 1.00 44.51 O ATOM 1834 CB GLU A 893 14.322 -29.349 45.749 1.00 51.27 C ATOM 1835 CG GLU A 893 15.597 -29.527 44.931 1.00 55.71 C ATOM 1836 CD GLU A 893 16.706 -28.572 45.345 1.00 59.82 C ATOM 1837 OE1 GLU A 893 17.092 -28.592 46.535 1.00 61.56 O ATOM 1838 OE2 GLU A 893 17.186 -27.805 44.477 1.00 58.83 O ATOM 0 H GLU A 893 13.242 -29.166 43.609 1.00 46.82 H new ATOM 0 HA GLU A 893 13.442 -31.181 45.161 1.00 46.64 H new ATOM 0 HB2 GLU A 893 14.038 -28.423 45.704 1.00 51.27 H new ATOM 0 HB3 GLU A 893 14.508 -29.543 46.681 1.00 51.27 H new ATOM 0 HG2 GLU A 893 15.911 -30.440 45.025 1.00 55.71 H new ATOM 0 HG3 GLU A 893 15.395 -29.392 43.992 1.00 55.71 H new ATOM 1839 N MET A 894 11.276 -29.314 46.490 1.00 43.55 N ATOM 1840 CA MET A 894 10.227 -29.369 47.504 1.00 43.30 C ATOM 1841 C MET A 894 9.186 -30.432 47.186 1.00 41.92 C ATOM 1842 O MET A 894 8.678 -31.110 48.082 1.00 41.64 O ATOM 1843 CB MET A 894 9.531 -28.016 47.645 1.00 44.83 C ATOM 1844 CG MET A 894 10.376 -26.949 48.296 1.00 46.77 C ATOM 1845 SD MET A 894 9.374 -25.525 48.747 1.00 48.03 S ATOM 1846 CE MET A 894 8.980 -24.908 47.109 1.00 45.79 C ATOM 0 H MET A 894 11.306 -28.587 46.032 1.00 43.55 H new ATOM 0 HA MET A 894 10.661 -29.600 48.340 1.00 43.30 H new ATOM 0 HB2 MET A 894 9.262 -27.709 46.765 1.00 44.83 H new ATOM 0 HB3 MET A 894 8.720 -28.134 48.164 1.00 44.83 H new ATOM 0 HG2 MET A 894 10.807 -27.310 49.087 1.00 46.77 H new ATOM 0 HG3 MET A 894 11.081 -26.674 47.689 1.00 46.77 H new ATOM 0 HE1 MET A 894 8.637 -24.003 47.178 1.00 45.79 H new ATOM 0 HE2 MET A 894 9.781 -24.909 46.561 1.00 45.79 H new ATOM 0 HE3 MET A 894 8.309 -25.478 46.701 1.00 45.79 H new ATOM 1847 N MET A 895 8.863 -30.565 45.906 1.00 41.01 N ATOM 1848 CA MET A 895 7.889 -31.553 45.466 1.00 40.92 C ATOM 1849 C MET A 895 8.381 -32.962 45.807 1.00 39.25 C ATOM 1850 O MET A 895 7.658 -33.750 46.410 1.00 40.60 O ATOM 1851 CB MET A 895 7.656 -31.419 43.957 1.00 40.53 C ATOM 1852 CG MET A 895 6.889 -30.161 43.545 1.00 40.82 C ATOM 1853 SD MET A 895 5.088 -30.304 43.782 1.00 45.17 S ATOM 1854 CE MET A 895 4.882 -29.448 45.297 1.00 47.61 C ATOM 0 H MET A 895 9.199 -30.089 45.273 1.00 41.01 H new ATOM 0 HA MET A 895 7.049 -31.399 45.926 1.00 40.92 H new ATOM 0 HB2 MET A 895 8.515 -31.423 43.507 1.00 40.53 H new ATOM 0 HB3 MET A 895 7.169 -32.198 43.646 1.00 40.53 H new ATOM 0 HG2 MET A 895 7.218 -29.407 44.059 1.00 40.82 H new ATOM 0 HG3 MET A 895 7.072 -29.970 42.612 1.00 40.82 H new ATOM 0 HE1 MET A 895 4.222 -29.906 45.840 1.00 47.61 H new ATOM 0 HE2 MET A 895 5.728 -29.421 45.771 1.00 47.61 H new ATOM 0 HE3 MET A 895 4.582 -28.543 45.119 1.00 47.61 H new ATOM 1855 N ALA A 896 9.617 -33.270 45.428 1.00 39.16 N ATOM 1856 CA ALA A 896 10.205 -34.582 45.702 1.00 38.66 C ATOM 1857 C ALA A 896 10.183 -34.907 47.194 1.00 39.10 C ATOM 1858 O ALA A 896 9.881 -36.037 47.591 1.00 39.08 O ATOM 1859 CB ALA A 896 11.644 -34.628 45.182 1.00 38.93 C ATOM 0 H ALA A 896 10.137 -32.730 45.007 1.00 39.16 H new ATOM 0 HA ALA A 896 9.671 -35.249 45.243 1.00 38.66 H new ATOM 0 HB1 ALA A 896 12.027 -35.500 45.367 1.00 38.93 H new ATOM 0 HB2 ALA A 896 11.648 -34.470 44.225 1.00 38.93 H new ATOM 0 HB3 ALA A 896 12.170 -33.944 45.624 1.00 38.93 H new ATOM 1860 N GLU A 897 10.505 -33.911 48.018 1.00 39.63 N ATOM 1861 CA GLU A 897 10.522 -34.088 49.468 1.00 40.86 C ATOM 1862 C GLU A 897 9.130 -34.344 50.050 1.00 39.47 C ATOM 1863 O GLU A 897 8.924 -35.300 50.803 1.00 40.32 O ATOM 1864 CB GLU A 897 11.121 -32.856 50.154 1.00 43.88 C ATOM 1865 CG GLU A 897 11.137 -32.982 51.675 1.00 50.78 C ATOM 1866 CD GLU A 897 11.340 -31.653 52.390 1.00 55.30 C ATOM 1867 OE1 GLU A 897 12.369 -30.986 52.143 1.00 55.81 O ATOM 1868 OE2 GLU A 897 10.460 -31.279 53.202 1.00 58.92 O ATOM 0 H GLU A 897 10.718 -33.120 47.755 1.00 39.63 H new ATOM 0 HA GLU A 897 11.069 -34.871 49.638 1.00 40.86 H new ATOM 0 HB2 GLU A 897 12.027 -32.720 49.834 1.00 43.88 H new ATOM 0 HB3 GLU A 897 10.611 -32.070 49.903 1.00 43.88 H new ATOM 0 HG2 GLU A 897 10.300 -33.375 51.969 1.00 50.78 H new ATOM 0 HG3 GLU A 897 11.844 -33.593 51.935 1.00 50.78 H new ATOM 1869 N ILE A 898 8.173 -33.493 49.702 1.00 37.74 N ATOM 1870 CA ILE A 898 6.821 -33.643 50.224 1.00 37.90 C ATOM 1871 C ILE A 898 6.133 -34.915 49.725 1.00 35.72 C ATOM 1872 O ILE A 898 5.398 -35.567 50.470 1.00 35.80 O ATOM 1873 CB ILE A 898 5.949 -32.404 49.867 1.00 39.42 C ATOM 1874 CG1 ILE A 898 6.423 -31.192 50.672 1.00 39.34 C ATOM 1875 CG2 ILE A 898 4.477 -32.681 50.160 1.00 39.30 C ATOM 1876 CD1 ILE A 898 5.720 -29.889 50.309 1.00 40.68 C ATOM 0 H ILE A 898 8.284 -32.827 49.169 1.00 37.74 H new ATOM 0 HA ILE A 898 6.907 -33.714 51.188 1.00 37.90 H new ATOM 0 HB ILE A 898 6.044 -32.219 48.920 1.00 39.42 H new ATOM 0 HG12 ILE A 898 6.287 -31.370 51.616 1.00 39.34 H new ATOM 0 HG13 ILE A 898 7.377 -31.081 50.539 1.00 39.34 H new ATOM 0 HG21 ILE A 898 3.949 -31.900 49.932 1.00 39.30 H new ATOM 0 HG22 ILE A 898 4.179 -33.438 49.632 1.00 39.30 H new ATOM 0 HG23 ILE A 898 4.367 -32.882 51.103 1.00 39.30 H new ATOM 0 HD11 ILE A 898 6.070 -29.169 50.857 1.00 40.68 H new ATOM 0 HD12 ILE A 898 5.875 -29.687 49.373 1.00 40.68 H new ATOM 0 HD13 ILE A 898 4.767 -29.980 50.466 1.00 40.68 H new ATOM 1877 N ILE A 899 6.375 -35.279 48.473 1.00 33.90 N ATOM 1878 CA ILE A 899 5.743 -36.467 47.924 1.00 35.66 C ATOM 1879 C ILE A 899 6.330 -37.778 48.469 1.00 37.15 C ATOM 1880 O ILE A 899 5.656 -38.808 48.468 1.00 37.96 O ATOM 1881 CB ILE A 899 5.804 -36.436 46.379 1.00 36.96 C ATOM 1882 CG1 ILE A 899 4.980 -35.245 45.870 1.00 34.36 C ATOM 1883 CG2 ILE A 899 5.268 -37.748 45.790 1.00 34.63 C ATOM 1884 CD1 ILE A 899 5.280 -34.849 44.432 1.00 32.73 C ATOM 0 H ILE A 899 6.894 -34.858 47.932 1.00 33.90 H new ATOM 0 HA ILE A 899 4.817 -36.450 48.212 1.00 35.66 H new ATOM 0 HB ILE A 899 6.727 -36.337 46.096 1.00 36.96 H new ATOM 0 HG12 ILE A 899 4.037 -35.461 45.946 1.00 34.36 H new ATOM 0 HG13 ILE A 899 5.143 -34.482 46.446 1.00 34.36 H new ATOM 0 HG21 ILE A 899 5.314 -37.711 44.822 1.00 34.63 H new ATOM 0 HG22 ILE A 899 5.805 -38.490 46.110 1.00 34.63 H new ATOM 0 HG23 ILE A 899 4.346 -37.874 46.065 1.00 34.63 H new ATOM 0 HD11 ILE A 899 4.725 -34.094 44.182 1.00 32.73 H new ATOM 0 HD12 ILE A 899 6.215 -34.603 44.352 1.00 32.73 H new ATOM 0 HD13 ILE A 899 5.092 -35.597 43.844 1.00 32.73 H new ATOM 1885 N SER A 900 7.564 -37.732 48.968 1.00 37.21 N ATOM 1886 CA SER A 900 8.208 -38.930 49.501 1.00 37.62 C ATOM 1887 C SER A 900 8.056 -39.032 51.017 1.00 37.48 C ATOM 1888 O SER A 900 8.124 -40.127 51.582 1.00 34.14 O ATOM 1889 CB SER A 900 9.708 -38.952 49.130 1.00 39.83 C ATOM 1890 OG SER A 900 10.434 -37.881 49.732 1.00 38.31 O ATOM 0 H SER A 900 8.044 -37.019 49.007 1.00 37.21 H new ATOM 0 HA SER A 900 7.764 -39.693 49.100 1.00 37.62 H new ATOM 0 HB2 SER A 900 10.095 -39.797 49.407 1.00 39.83 H new ATOM 0 HB3 SER A 900 9.801 -38.900 48.166 1.00 39.83 H new ATOM 0 HG SER A 900 10.409 -37.208 49.230 1.00 38.31 H new ATOM 1891 N VAL A 901 7.842 -37.894 51.672 1.00 36.41 N ATOM 1892 CA VAL A 901 7.704 -37.888 53.123 1.00 36.99 C ATOM 1893 C VAL A 901 6.267 -37.714 53.616 1.00 38.14 C ATOM 1894 O VAL A 901 5.819 -38.458 54.485 1.00 40.53 O ATOM 1895 CB VAL A 901 8.569 -36.765 53.774 1.00 37.43 C ATOM 1896 CG1 VAL A 901 8.409 -36.797 55.295 1.00 37.38 C ATOM 1897 CG2 VAL A 901 10.035 -36.931 53.395 1.00 34.91 C ATOM 0 H VAL A 901 7.774 -37.122 51.298 1.00 36.41 H new ATOM 0 HA VAL A 901 8.012 -38.767 53.394 1.00 36.99 H new ATOM 0 HB VAL A 901 8.263 -35.906 53.442 1.00 37.43 H new ATOM 0 HG11 VAL A 901 8.950 -36.096 55.692 1.00 37.38 H new ATOM 0 HG12 VAL A 901 7.477 -36.656 55.526 1.00 37.38 H new ATOM 0 HG13 VAL A 901 8.699 -37.659 55.633 1.00 37.38 H new ATOM 0 HG21 VAL A 901 10.558 -36.226 53.807 1.00 34.91 H new ATOM 0 HG22 VAL A 901 10.354 -37.793 53.705 1.00 34.91 H new ATOM 0 HG23 VAL A 901 10.128 -36.880 52.431 1.00 34.91 H new ATOM 1898 N GLN A 902 5.547 -36.743 53.063 1.00 36.13 N ATOM 1899 CA GLN A 902 4.181 -36.468 53.507 1.00 37.50 C ATOM 1900 C GLN A 902 3.071 -37.217 52.778 1.00 35.95 C ATOM 1901 O GLN A 902 2.157 -37.739 53.408 1.00 36.28 O ATOM 1902 CB GLN A 902 3.895 -34.967 53.410 1.00 40.49 C ATOM 1903 CG GLN A 902 4.985 -34.082 53.984 1.00 42.58 C ATOM 1904 CD GLN A 902 5.195 -34.280 55.469 1.00 46.13 C ATOM 1905 OE1 GLN A 902 4.314 -35.049 56.105 1.00 51.48 O flip ATOM 1906 NE2 GLN A 902 6.143 -33.742 56.040 1.00 45.73 N flip ATOM 0 H GLN A 902 5.828 -36.232 52.431 1.00 36.13 H new ATOM 0 HA GLN A 902 4.160 -36.793 54.421 1.00 37.50 H new ATOM 0 HB2 GLN A 902 3.762 -34.734 52.478 1.00 40.49 H new ATOM 0 HB3 GLN A 902 3.063 -34.777 53.871 1.00 40.49 H new ATOM 0 HG2 GLN A 902 5.817 -34.262 53.519 1.00 42.58 H new ATOM 0 HG3 GLN A 902 4.761 -33.153 53.816 1.00 42.58 H new ATOM 0 HE21 GLN A 902 6.691 -33.252 55.594 1.00 45.73 H new ATOM 0 HE22 GLN A 902 6.257 -33.856 56.885 1.00 45.73 H new ATOM 1907 N VAL A 903 3.131 -37.252 51.453 1.00 34.80 N ATOM 1908 CA VAL A 903 2.095 -37.934 50.695 1.00 35.76 C ATOM 1909 C VAL A 903 1.913 -39.391 51.143 1.00 35.21 C ATOM 1910 O VAL A 903 0.788 -39.845 51.315 1.00 36.12 O ATOM 1911 CB VAL A 903 2.383 -37.860 49.180 1.00 36.43 C ATOM 1912 CG1 VAL A 903 1.264 -38.539 48.400 1.00 39.38 C ATOM 1913 CG2 VAL A 903 2.498 -36.401 48.753 1.00 38.29 C ATOM 0 H VAL A 903 3.753 -36.893 50.981 1.00 34.80 H new ATOM 0 HA VAL A 903 1.261 -37.472 50.874 1.00 35.76 H new ATOM 0 HB VAL A 903 3.218 -38.318 48.993 1.00 36.43 H new ATOM 0 HG11 VAL A 903 1.454 -38.487 47.450 1.00 39.38 H new ATOM 0 HG12 VAL A 903 1.202 -39.470 48.667 1.00 39.38 H new ATOM 0 HG13 VAL A 903 0.423 -38.093 48.586 1.00 39.38 H new ATOM 0 HG21 VAL A 903 2.679 -36.356 47.801 1.00 38.29 H new ATOM 0 HG22 VAL A 903 1.666 -35.941 48.946 1.00 38.29 H new ATOM 0 HG23 VAL A 903 3.222 -35.977 49.240 1.00 38.29 H new ATOM 1914 N PRO A 904 3.015 -40.133 51.365 1.00 35.97 N ATOM 1915 CA PRO A 904 2.869 -41.531 51.800 1.00 36.51 C ATOM 1916 C PRO A 904 2.022 -41.667 53.067 1.00 37.28 C ATOM 1917 O PRO A 904 1.225 -42.602 53.196 1.00 40.09 O ATOM 1918 CB PRO A 904 4.317 -41.978 52.020 1.00 34.73 C ATOM 1919 CG PRO A 904 5.065 -41.177 51.000 1.00 32.90 C ATOM 1920 CD PRO A 904 4.435 -39.802 51.140 1.00 33.68 C ATOM 0 HA PRO A 904 2.398 -42.077 51.151 1.00 36.51 H new ATOM 0 HB2 PRO A 904 4.620 -41.787 52.921 1.00 34.73 H new ATOM 0 HB3 PRO A 904 4.425 -42.932 51.880 1.00 34.73 H new ATOM 0 HG2 PRO A 904 6.018 -41.159 51.182 1.00 32.90 H new ATOM 0 HG3 PRO A 904 4.954 -41.536 50.106 1.00 32.90 H new ATOM 0 HD2 PRO A 904 4.813 -39.304 51.881 1.00 33.68 H new ATOM 0 HD3 PRO A 904 4.560 -39.263 50.343 1.00 33.68 H new ATOM 1921 N LYS A 905 2.191 -40.740 54.006 1.00 36.01 N ATOM 1922 CA LYS A 905 1.416 -40.787 55.239 1.00 37.64 C ATOM 1923 C LYS A 905 -0.071 -40.698 54.917 1.00 38.79 C ATOM 1924 O LYS A 905 -0.915 -41.201 55.668 1.00 38.15 O ATOM 1925 CB LYS A 905 1.787 -39.630 56.168 1.00 39.01 C ATOM 1926 CG LYS A 905 3.235 -39.601 56.633 1.00 42.06 C ATOM 1927 CD LYS A 905 3.406 -38.553 57.731 1.00 43.56 C ATOM 1928 CE LYS A 905 4.851 -38.440 58.201 1.00 45.35 C ATOM 1929 NZ LYS A 905 5.765 -37.997 57.109 1.00 47.04 N ATOM 0 H LYS A 905 2.743 -40.083 53.949 1.00 36.01 H new ATOM 0 HA LYS A 905 1.615 -41.625 55.684 1.00 37.64 H new ATOM 0 HB2 LYS A 905 1.593 -38.796 55.713 1.00 39.01 H new ATOM 0 HB3 LYS A 905 1.214 -39.667 56.949 1.00 39.01 H new ATOM 0 HG2 LYS A 905 3.494 -40.475 56.965 1.00 42.06 H new ATOM 0 HG3 LYS A 905 3.819 -39.397 55.886 1.00 42.06 H new ATOM 0 HD2 LYS A 905 3.106 -37.691 57.402 1.00 43.56 H new ATOM 0 HD3 LYS A 905 2.840 -38.782 58.485 1.00 43.56 H new ATOM 0 HE2 LYS A 905 4.902 -37.811 58.938 1.00 45.35 H new ATOM 0 HE3 LYS A 905 5.147 -39.299 58.540 1.00 45.35 H new ATOM 0 HZ1 LYS A 905 6.579 -38.327 57.251 1.00 47.04 H new ATOM 0 HZ2 LYS A 905 5.458 -38.291 56.327 1.00 47.04 H new ATOM 0 HZ3 LYS A 905 5.804 -37.108 57.096 1.00 47.04 H new ATOM 1930 N ILE A 906 -0.394 -40.046 53.803 1.00 37.81 N ATOM 1931 CA ILE A 906 -1.788 -39.906 53.402 1.00 37.57 C ATOM 1932 C ILE A 906 -2.247 -41.194 52.750 1.00 36.48 C ATOM 1933 O ILE A 906 -3.295 -41.744 53.083 1.00 38.11 O ATOM 1934 CB ILE A 906 -1.983 -38.751 52.387 1.00 36.91 C ATOM 1935 CG1 ILE A 906 -1.672 -37.410 53.052 1.00 33.34 C ATOM 1936 CG2 ILE A 906 -3.420 -38.752 51.864 1.00 35.77 C ATOM 1937 CD1 ILE A 906 -1.747 -36.231 52.095 1.00 33.50 C ATOM 0 H ILE A 906 0.174 -39.681 53.271 1.00 37.81 H new ATOM 0 HA ILE A 906 -2.306 -39.708 54.198 1.00 37.57 H new ATOM 0 HB ILE A 906 -1.375 -38.882 51.642 1.00 36.91 H new ATOM 0 HG12 ILE A 906 -2.295 -37.266 53.782 1.00 33.34 H new ATOM 0 HG13 ILE A 906 -0.784 -37.447 53.440 1.00 33.34 H new ATOM 0 HG21 ILE A 906 -3.534 -38.027 51.230 1.00 35.77 H new ATOM 0 HG22 ILE A 906 -3.604 -39.597 51.425 1.00 35.77 H new ATOM 0 HG23 ILE A 906 -4.034 -38.633 52.605 1.00 35.77 H new ATOM 0 HD11 ILE A 906 -1.541 -35.412 52.573 1.00 33.50 H new ATOM 0 HD12 ILE A 906 -1.107 -36.356 51.377 1.00 33.50 H new ATOM 0 HD13 ILE A 906 -2.641 -36.172 51.724 1.00 33.50 H new ATOM 1938 N LEU A 907 -1.447 -41.672 51.812 1.00 34.92 N ATOM 1939 CA LEU A 907 -1.776 -42.889 51.104 1.00 34.22 C ATOM 1940 C LEU A 907 -1.868 -44.097 52.031 1.00 36.24 C ATOM 1941 O LEU A 907 -2.667 -44.995 51.789 1.00 35.72 O ATOM 1942 CB LEU A 907 -0.746 -43.134 49.997 1.00 31.88 C ATOM 1943 CG LEU A 907 -0.744 -42.038 48.928 1.00 31.84 C ATOM 1944 CD1 LEU A 907 0.303 -42.335 47.866 1.00 28.73 C ATOM 1945 CD2 LEU A 907 -2.137 -41.946 48.299 1.00 29.56 C ATOM 0 H LEU A 907 -0.708 -41.304 51.572 1.00 34.92 H new ATOM 0 HA LEU A 907 -2.656 -42.774 50.712 1.00 34.22 H new ATOM 0 HB2 LEU A 907 0.138 -43.195 50.392 1.00 31.88 H new ATOM 0 HB3 LEU A 907 -0.928 -43.989 49.576 1.00 31.88 H new ATOM 0 HG LEU A 907 -0.522 -41.188 49.339 1.00 31.84 H new ATOM 0 HD11 LEU A 907 0.293 -41.633 47.196 1.00 28.73 H new ATOM 0 HD12 LEU A 907 1.180 -42.375 48.278 1.00 28.73 H new ATOM 0 HD13 LEU A 907 0.105 -43.186 47.445 1.00 28.73 H new ATOM 0 HD21 LEU A 907 -2.141 -41.253 47.621 1.00 29.56 H new ATOM 0 HD22 LEU A 907 -2.366 -42.797 47.893 1.00 29.56 H new ATOM 0 HD23 LEU A 907 -2.788 -41.730 48.985 1.00 29.56 H new ATOM 1946 N SER A 908 -1.067 -44.114 53.095 1.00 36.24 N ATOM 1947 CA SER A 908 -1.088 -45.238 54.027 1.00 37.01 C ATOM 1948 C SER A 908 -2.171 -45.121 55.098 1.00 36.22 C ATOM 1949 O SER A 908 -2.280 -45.983 55.964 1.00 36.08 O ATOM 1950 CB SER A 908 0.285 -45.408 54.691 1.00 35.49 C ATOM 1951 OG SER A 908 0.608 -44.285 55.479 1.00 39.05 O ATOM 0 H SER A 908 -0.509 -43.490 53.294 1.00 36.24 H new ATOM 0 HA SER A 908 -1.302 -46.023 53.498 1.00 37.01 H new ATOM 0 HB2 SER A 908 0.284 -46.205 55.243 1.00 35.49 H new ATOM 0 HB3 SER A 908 0.964 -45.535 54.010 1.00 35.49 H new ATOM 0 HG SER A 908 0.829 -43.647 54.980 1.00 39.05 H new ATOM 1952 N GLY A 909 -2.973 -44.063 55.039 1.00 34.86 N ATOM 1953 CA GLY A 909 -4.043 -43.902 56.014 1.00 33.84 C ATOM 1954 C GLY A 909 -3.705 -43.237 57.341 1.00 33.83 C ATOM 1955 O GLY A 909 -4.574 -43.114 58.201 1.00 35.21 O ATOM 0 H GLY A 909 -2.916 -43.437 54.452 1.00 34.86 H new ATOM 0 HA2 GLY A 909 -4.751 -43.388 55.596 1.00 33.84 H new ATOM 0 HA3 GLY A 909 -4.405 -44.781 56.206 1.00 33.84 H new ATOM 1956 N LYS A 910 -2.456 -42.820 57.528 1.00 34.00 N ATOM 1957 CA LYS A 910 -2.054 -42.155 58.769 1.00 36.59 C ATOM 1958 C LYS A 910 -2.594 -40.722 58.822 1.00 35.96 C ATOM 1959 O LYS A 910 -2.868 -40.180 59.893 1.00 36.32 O ATOM 1960 CB LYS A 910 -0.526 -42.144 58.877 1.00 38.37 C ATOM 1961 CG LYS A 910 0.063 -43.545 58.896 1.00 43.18 C ATOM 1962 CD LYS A 910 1.578 -43.559 58.776 1.00 46.40 C ATOM 1963 CE LYS A 910 2.256 -43.115 60.046 1.00 47.33 C ATOM 1964 NZ LYS A 910 3.717 -43.407 59.966 1.00 49.44 N ATOM 0 H LYS A 910 -1.825 -42.911 56.951 1.00 34.00 H new ATOM 0 HA LYS A 910 -2.427 -42.647 59.517 1.00 36.59 H new ATOM 0 HB2 LYS A 910 -0.155 -41.650 58.129 1.00 38.37 H new ATOM 0 HB3 LYS A 910 -0.265 -41.675 59.685 1.00 38.37 H new ATOM 0 HG2 LYS A 910 -0.194 -43.987 59.720 1.00 43.18 H new ATOM 0 HG3 LYS A 910 -0.318 -44.060 58.167 1.00 43.18 H new ATOM 0 HD2 LYS A 910 1.874 -44.455 58.550 1.00 46.40 H new ATOM 0 HD3 LYS A 910 1.848 -42.978 58.047 1.00 46.40 H new ATOM 0 HE2 LYS A 910 2.114 -42.165 60.183 1.00 47.33 H new ATOM 0 HE3 LYS A 910 1.867 -43.573 60.808 1.00 47.33 H new ATOM 0 HZ1 LYS A 910 4.114 -43.144 60.718 1.00 49.44 H new ATOM 0 HZ2 LYS A 910 3.840 -44.282 59.857 1.00 49.44 H new ATOM 0 HZ3 LYS A 910 4.070 -42.970 59.276 1.00 49.44 H new ATOM 1965 N VAL A 911 -2.729 -40.116 57.648 1.00 35.53 N ATOM 1966 CA VAL A 911 -3.247 -38.767 57.514 1.00 34.82 C ATOM 1967 C VAL A 911 -4.501 -38.888 56.655 1.00 34.13 C ATOM 1968 O VAL A 911 -4.457 -39.460 55.572 1.00 31.81 O ATOM 1969 CB VAL A 911 -2.213 -37.855 56.828 1.00 33.03 C ATOM 1970 CG1 VAL A 911 -2.814 -36.487 56.561 1.00 32.58 C ATOM 1971 CG2 VAL A 911 -0.980 -37.727 57.720 1.00 33.40 C ATOM 0 H VAL A 911 -2.519 -40.484 56.899 1.00 35.53 H new ATOM 0 HA VAL A 911 -3.441 -38.374 58.379 1.00 34.82 H new ATOM 0 HB VAL A 911 -1.954 -38.246 55.979 1.00 33.03 H new ATOM 0 HG11 VAL A 911 -2.154 -35.922 56.129 1.00 32.58 H new ATOM 0 HG12 VAL A 911 -3.587 -36.580 55.983 1.00 32.58 H new ATOM 0 HG13 VAL A 911 -3.085 -36.083 57.400 1.00 32.58 H new ATOM 0 HG21 VAL A 911 -0.327 -37.153 57.290 1.00 33.40 H new ATOM 0 HG22 VAL A 911 -1.236 -37.342 58.573 1.00 33.40 H new ATOM 0 HG23 VAL A 911 -0.593 -38.604 57.865 1.00 33.40 H new ATOM 1972 N LYS A 912 -5.611 -38.346 57.142 1.00 34.83 N ATOM 1973 CA LYS A 912 -6.877 -38.442 56.428 1.00 35.81 C ATOM 1974 C LYS A 912 -7.653 -37.138 56.284 1.00 36.12 C ATOM 1975 O LYS A 912 -7.525 -36.217 57.093 1.00 33.15 O ATOM 1976 CB LYS A 912 -7.801 -39.431 57.137 1.00 36.07 C ATOM 1977 CG LYS A 912 -7.332 -40.860 57.201 1.00 41.07 C ATOM 1978 CD LYS A 912 -8.402 -41.690 57.907 1.00 43.63 C ATOM 1979 CE LYS A 912 -8.100 -43.174 57.865 1.00 48.20 C ATOM 1980 NZ LYS A 912 -9.140 -43.935 58.633 1.00 53.19 N ATOM 0 H LYS A 912 -5.652 -37.917 57.886 1.00 34.83 H new ATOM 0 HA LYS A 912 -6.623 -38.726 55.536 1.00 35.81 H new ATOM 0 HB2 LYS A 912 -7.943 -39.117 58.044 1.00 36.07 H new ATOM 0 HB3 LYS A 912 -8.663 -39.414 56.692 1.00 36.07 H new ATOM 0 HG2 LYS A 912 -7.174 -41.203 56.308 1.00 41.07 H new ATOM 0 HG3 LYS A 912 -6.490 -40.917 57.680 1.00 41.07 H new ATOM 0 HD2 LYS A 912 -8.474 -41.403 58.831 1.00 43.63 H new ATOM 0 HD3 LYS A 912 -9.263 -41.525 57.491 1.00 43.63 H new ATOM 0 HE2 LYS A 912 -8.078 -43.481 56.945 1.00 48.20 H new ATOM 0 HE3 LYS A 912 -7.222 -43.343 58.241 1.00 48.20 H new ATOM 0 HZ1 LYS A 912 -8.954 -44.805 58.603 1.00 53.19 H new ATOM 0 HZ2 LYS A 912 -9.143 -43.662 59.480 1.00 53.19 H new ATOM 0 HZ3 LYS A 912 -9.941 -43.790 58.272 1.00 53.19 H new ATOM 1981 N PRO A 913 -8.496 -37.061 55.248 1.00 36.95 N ATOM 1982 CA PRO A 913 -9.311 -35.877 54.997 1.00 37.79 C ATOM 1983 C PRO A 913 -10.443 -35.822 56.012 1.00 37.68 C ATOM 1984 O PRO A 913 -10.859 -36.847 56.545 1.00 35.66 O ATOM 1985 CB PRO A 913 -9.843 -36.116 53.590 1.00 40.17 C ATOM 1986 CG PRO A 913 -8.803 -37.024 52.972 1.00 38.93 C ATOM 1987 CD PRO A 913 -8.530 -37.967 54.087 1.00 36.34 C ATOM 0 HA PRO A 913 -8.830 -35.038 55.073 1.00 37.79 H new ATOM 0 HB2 PRO A 913 -10.719 -36.533 53.605 1.00 40.17 H new ATOM 0 HB3 PRO A 913 -9.932 -35.286 53.096 1.00 40.17 H new ATOM 0 HG2 PRO A 913 -9.138 -37.479 52.183 1.00 38.93 H new ATOM 0 HG3 PRO A 913 -8.008 -36.538 52.703 1.00 38.93 H new ATOM 0 HD2 PRO A 913 -9.223 -38.641 54.172 1.00 36.34 H new ATOM 0 HD3 PRO A 913 -7.690 -38.437 53.968 1.00 36.34 H new ATOM 1988 N ILE A 914 -10.918 -34.616 56.285 1.00 38.72 N ATOM 1989 CA ILE A 914 -12.028 -34.412 57.195 1.00 38.02 C ATOM 1990 C ILE A 914 -13.212 -34.214 56.263 1.00 39.23 C ATOM 1991 O ILE A 914 -13.245 -33.246 55.501 1.00 40.11 O ATOM 1992 CB ILE A 914 -11.844 -33.131 58.047 1.00 38.49 C ATOM 1993 CG1 ILE A 914 -10.586 -33.249 58.910 1.00 37.43 C ATOM 1994 CG2 ILE A 914 -13.064 -32.909 58.944 1.00 37.74 C ATOM 1995 CD1 ILE A 914 -10.345 -32.040 59.787 1.00 36.39 C ATOM 0 H ILE A 914 -10.603 -33.891 55.946 1.00 38.72 H new ATOM 0 HA ILE A 914 -12.123 -35.149 57.819 1.00 38.02 H new ATOM 0 HB ILE A 914 -11.750 -32.374 57.448 1.00 38.49 H new ATOM 0 HG12 ILE A 914 -10.659 -34.038 59.470 1.00 37.43 H new ATOM 0 HG13 ILE A 914 -9.817 -33.381 58.333 1.00 37.43 H new ATOM 0 HG21 ILE A 914 -12.936 -32.105 59.471 1.00 37.74 H new ATOM 0 HG22 ILE A 914 -13.857 -32.812 58.394 1.00 37.74 H new ATOM 0 HG23 ILE A 914 -13.173 -33.670 59.536 1.00 37.74 H new ATOM 0 HD11 ILE A 914 -9.538 -32.173 60.308 1.00 36.39 H new ATOM 0 HD12 ILE A 914 -10.244 -31.252 59.231 1.00 36.39 H new ATOM 0 HD13 ILE A 914 -11.099 -31.919 60.385 1.00 36.39 H new ATOM 1996 N TYR A 915 -14.157 -35.145 56.291 1.00 38.39 N ATOM 1997 CA TYR A 915 -15.335 -35.045 55.443 1.00 38.54 C ATOM 1998 C TYR A 915 -16.517 -34.505 56.234 1.00 39.29 C ATOM 1999 O TYR A 915 -16.700 -34.839 57.407 1.00 39.11 O ATOM 2000 CB TYR A 915 -15.742 -36.419 54.881 1.00 37.71 C ATOM 2001 CG TYR A 915 -14.876 -36.958 53.767 1.00 37.77 C ATOM 2002 CD1 TYR A 915 -13.864 -37.884 54.024 1.00 36.66 C ATOM 2003 CD2 TYR A 915 -15.083 -36.557 52.450 1.00 37.34 C ATOM 2004 CE1 TYR A 915 -13.082 -38.399 52.995 1.00 35.33 C ATOM 2005 CE2 TYR A 915 -14.306 -37.064 51.410 1.00 38.39 C ATOM 2006 CZ TYR A 915 -13.305 -37.983 51.688 1.00 38.82 C ATOM 2007 OH TYR A 915 -12.523 -38.467 50.660 1.00 38.22 O ATOM 0 H TYR A 915 -14.135 -35.842 56.794 1.00 38.39 H new ATOM 0 HA TYR A 915 -15.106 -34.446 54.715 1.00 38.54 H new ATOM 0 HB2 TYR A 915 -15.740 -37.060 55.609 1.00 37.71 H new ATOM 0 HB3 TYR A 915 -16.655 -36.360 54.558 1.00 37.71 H new ATOM 0 HD1 TYR A 915 -13.710 -38.162 54.898 1.00 36.66 H new ATOM 0 HD2 TYR A 915 -15.752 -35.939 52.261 1.00 37.34 H new ATOM 0 HE1 TYR A 915 -12.414 -39.018 53.181 1.00 35.33 H new ATOM 0 HE2 TYR A 915 -14.458 -36.788 50.535 1.00 38.39 H new ATOM 0 HH TYR A 915 -12.774 -38.129 49.933 1.00 38.22 H new ATOM 2008 N PHE A 916 -17.323 -33.674 55.588 1.00 38.12 N ATOM 2009 CA PHE A 916 -18.512 -33.157 56.230 1.00 39.49 C ATOM 2010 C PHE A 916 -19.534 -34.291 56.284 1.00 43.19 C ATOM 2011 O PHE A 916 -20.052 -34.625 57.349 1.00 43.54 O ATOM 2012 CB PHE A 916 -19.079 -31.975 55.442 1.00 36.30 C ATOM 2013 CG PHE A 916 -18.410 -30.674 55.756 1.00 35.91 C ATOM 2014 CD1 PHE A 916 -17.382 -30.189 54.955 1.00 35.88 C ATOM 2015 CD2 PHE A 916 -18.782 -29.948 56.887 1.00 36.50 C ATOM 2016 CE1 PHE A 916 -16.733 -29.003 55.273 1.00 33.40 C ATOM 2017 CE2 PHE A 916 -18.138 -28.758 57.215 1.00 35.35 C ATOM 2018 CZ PHE A 916 -17.110 -28.287 56.401 1.00 36.42 C ATOM 0 H PHE A 916 -17.198 -33.401 54.782 1.00 38.12 H new ATOM 0 HA PHE A 916 -18.301 -32.841 57.123 1.00 39.49 H new ATOM 0 HB2 PHE A 916 -18.990 -32.156 54.493 1.00 36.30 H new ATOM 0 HB3 PHE A 916 -20.028 -31.896 55.628 1.00 36.30 H new ATOM 0 HD1 PHE A 916 -17.126 -30.664 54.198 1.00 35.88 H new ATOM 0 HD2 PHE A 916 -19.469 -30.263 57.429 1.00 36.50 H new ATOM 0 HE1 PHE A 916 -16.046 -28.689 54.730 1.00 33.40 H new ATOM 0 HE2 PHE A 916 -18.392 -28.281 57.972 1.00 35.35 H new ATOM 0 HZ PHE A 916 -16.676 -27.492 56.613 1.00 36.42 H new ATOM 2019 N HIS A 917 -19.810 -34.892 55.131 1.00 46.04 N ATOM 2020 CA HIS A 917 -20.770 -35.986 55.058 1.00 48.54 C ATOM 2021 C HIS A 917 -20.056 -37.324 55.047 1.00 52.63 C ATOM 2022 O HIS A 917 -18.842 -37.386 54.845 1.00 53.57 O ATOM 2023 CB HIS A 917 -21.641 -35.831 53.810 1.00 46.06 C ATOM 2024 CG HIS A 917 -22.335 -34.508 53.733 1.00 41.70 C ATOM 2025 ND1 HIS A 917 -23.557 -34.118 54.164 1.00 39.92 N flip ATOM 2026 CD2 HIS A 917 -21.723 -33.377 53.238 1.00 39.55 C flip ATOM 2027 CE1 HIS A 917 -23.658 -32.768 53.929 1.00 37.71 C flip ATOM 2028 NE2 HIS A 917 -22.539 -32.345 53.368 1.00 40.30 N flip ATOM 0 H HIS A 917 -19.451 -34.680 54.379 1.00 46.04 H new ATOM 0 HA HIS A 917 -21.339 -35.955 55.843 1.00 48.54 H new ATOM 0 HB2 HIS A 917 -21.088 -35.945 53.021 1.00 46.06 H new ATOM 0 HB3 HIS A 917 -22.305 -36.538 53.796 1.00 46.06 H new ATOM 0 HD1 HIS A 917 -24.158 -34.621 54.519 1.00 39.92 H new ATOM 0 HD2 HIS A 917 -20.869 -33.345 52.870 1.00 39.55 H new ATOM 0 HE1 HIS A 917 -24.395 -32.238 54.132 1.00 37.71 H new ATOM 2029 N THR A 918 -20.811 -38.393 55.276 1.00 55.90 N ATOM 2030 CA THR A 918 -20.247 -39.738 55.310 1.00 59.60 C ATOM 2031 C THR A 918 -20.394 -40.437 53.957 1.00 62.03 C ATOM 2032 O THR A 918 -19.356 -40.787 53.353 1.00 62.51 O ATOM 2033 CB THR A 918 -20.938 -40.590 56.400 1.00 60.82 C ATOM 2034 OG1 THR A 918 -20.717 -39.993 57.683 1.00 59.96 O ATOM 2035 CG2 THR A 918 -20.384 -42.011 56.407 1.00 61.83 C ATOM 0 H THR A 918 -21.659 -38.360 55.415 1.00 55.90 H new ATOM 0 HA THR A 918 -19.303 -39.651 55.516 1.00 59.60 H new ATOM 0 HB THR A 918 -21.888 -40.626 56.207 1.00 60.82 H new ATOM 0 HG1 THR A 918 -21.093 -40.454 58.276 1.00 59.96 H new ATOM 0 HG21 THR A 918 -20.829 -42.529 57.096 1.00 61.83 H new ATOM 0 HG22 THR A 918 -20.539 -42.423 55.543 1.00 61.83 H new ATOM 0 HG23 THR A 918 -19.431 -41.986 56.587 1.00 61.83 H new TER 2036 THR A 918 ATOM 2037 N SER B 99 16.990 -28.381 53.834 1.00 65.73 N ATOM 2038 CA SER B 99 16.091 -28.792 52.715 1.00 65.07 C ATOM 2039 C SER B 99 15.588 -27.561 51.976 1.00 64.44 C ATOM 2040 O SER B 99 15.677 -26.442 52.489 1.00 63.67 O ATOM 2041 CB SER B 99 14.891 -29.572 53.257 1.00 65.30 C ATOM 2042 OG SER B 99 14.022 -28.722 53.987 1.00 64.24 O ATOM 0 HA SER B 99 16.595 -29.357 52.108 1.00 65.07 H new ATOM 0 HB2 SER B 99 14.408 -29.981 52.522 1.00 65.30 H new ATOM 0 HB3 SER B 99 15.200 -30.292 53.828 1.00 65.30 H new ATOM 0 HG SER B 99 13.370 -29.167 54.275 1.00 64.24 H new ATOM 2043 N ARG B 100 15.059 -27.773 50.772 1.00 63.27 N ATOM 2044 CA ARG B 100 14.528 -26.676 49.973 1.00 62.80 C ATOM 2045 C ARG B 100 13.302 -26.081 50.668 1.00 61.20 C ATOM 2046 O ARG B 100 13.164 -24.862 50.760 1.00 59.69 O ATOM 2047 CB ARG B 100 14.147 -27.170 48.571 1.00 64.83 C ATOM 2048 CG ARG B 100 13.580 -26.079 47.667 1.00 66.95 C ATOM 2049 CD ARG B 100 14.633 -25.032 47.315 1.00 68.19 C ATOM 2050 NE ARG B 100 14.041 -23.773 46.864 1.00 69.43 N ATOM 2051 CZ ARG B 100 13.262 -23.639 45.794 1.00 71.36 C ATOM 2052 NH1 ARG B 100 12.963 -24.690 45.036 1.00 71.97 N ATOM 2053 NH2 ARG B 100 12.775 -22.445 45.480 1.00 71.90 N ATOM 0 H ARG B 100 14.999 -28.547 50.401 1.00 63.27 H new ATOM 0 HA ARG B 100 15.211 -25.993 49.884 1.00 62.80 H new ATOM 0 HB2 ARG B 100 14.931 -27.554 48.148 1.00 64.83 H new ATOM 0 HB3 ARG B 100 13.493 -27.882 48.654 1.00 64.83 H new ATOM 0 HG2 ARG B 100 13.237 -26.479 46.853 1.00 66.95 H new ATOM 0 HG3 ARG B 100 12.831 -25.649 48.109 1.00 66.95 H new ATOM 0 HD2 ARG B 100 15.190 -24.864 48.091 1.00 68.19 H new ATOM 0 HD3 ARG B 100 15.212 -25.381 46.620 1.00 68.19 H new ATOM 0 HE ARG B 100 14.209 -23.067 47.325 1.00 69.43 H new ATOM 0 HH11 ARG B 100 13.274 -25.467 45.236 1.00 71.97 H new ATOM 0 HH12 ARG B 100 12.459 -24.593 44.346 1.00 71.97 H new ATOM 0 HH21 ARG B 100 12.963 -21.762 45.967 1.00 71.90 H new ATOM 0 HH22 ARG B 100 12.271 -22.354 44.789 1.00 71.90 H new ATOM 2054 N TRP B 101 12.415 -26.943 51.161 1.00 59.92 N ATOM 2055 CA TRP B 101 11.219 -26.472 51.854 1.00 58.43 C ATOM 2056 C TRP B 101 11.598 -25.574 53.023 1.00 57.77 C ATOM 2057 O TRP B 101 11.054 -24.483 53.179 1.00 57.60 O ATOM 2058 CB TRP B 101 10.383 -27.654 52.356 1.00 57.70 C ATOM 2059 CG TRP B 101 9.364 -27.281 53.410 1.00 55.65 C ATOM 2060 CD1 TRP B 101 9.547 -27.282 54.768 1.00 55.95 C ATOM 2061 CD2 TRP B 101 8.014 -26.855 53.189 1.00 53.57 C ATOM 2062 NE1 TRP B 101 8.392 -26.887 55.404 1.00 54.41 N ATOM 2063 CE2 TRP B 101 7.437 -26.618 54.458 1.00 53.94 C ATOM 2064 CE3 TRP B 101 7.234 -26.652 52.043 1.00 51.65 C ATOM 2065 CZ2 TRP B 101 6.114 -26.190 54.609 1.00 52.34 C ATOM 2066 CZ3 TRP B 101 5.922 -26.229 52.196 1.00 49.17 C ATOM 2067 CH2 TRP B 101 5.376 -26.003 53.469 1.00 49.61 C ATOM 0 H TRP B 101 12.486 -27.798 51.105 1.00 59.92 H new ATOM 0 HA TRP B 101 10.689 -25.960 51.223 1.00 58.43 H new ATOM 0 HB2 TRP B 101 9.923 -28.057 51.603 1.00 57.70 H new ATOM 0 HB3 TRP B 101 10.978 -28.329 52.719 1.00 57.70 H new ATOM 0 HD1 TRP B 101 10.338 -27.516 55.198 1.00 55.95 H new ATOM 0 HE1 TRP B 101 8.287 -26.820 56.255 1.00 54.41 H new ATOM 0 HE3 TRP B 101 7.589 -26.798 51.196 1.00 51.65 H new ATOM 0 HZ2 TRP B 101 5.749 -26.038 55.451 1.00 52.34 H new ATOM 0 HZ3 TRP B 101 5.395 -26.093 51.442 1.00 49.17 H new ATOM 0 HH2 TRP B 101 4.493 -25.720 53.541 1.00 49.61 H new ATOM 2068 N ALA B 102 12.527 -26.041 53.850 1.00 58.45 N ATOM 2069 CA ALA B 102 12.975 -25.261 54.996 1.00 58.37 C ATOM 2070 C ALA B 102 13.522 -23.938 54.480 1.00 58.16 C ATOM 2071 O ALA B 102 13.300 -22.884 55.077 1.00 57.84 O ATOM 2072 CB ALA B 102 14.055 -26.018 55.763 1.00 58.97 C ATOM 0 H ALA B 102 12.910 -26.806 53.765 1.00 58.45 H new ATOM 0 HA ALA B 102 12.235 -25.103 55.603 1.00 58.37 H new ATOM 0 HB1 ALA B 102 14.344 -25.488 56.522 1.00 58.97 H new ATOM 0 HB2 ALA B 102 13.697 -26.863 56.076 1.00 58.97 H new ATOM 0 HB3 ALA B 102 14.811 -26.184 55.179 1.00 58.97 H new ATOM 2073 N GLU B 103 14.229 -23.996 53.357 1.00 57.80 N ATOM 2074 CA GLU B 103 14.792 -22.789 52.774 1.00 59.35 C ATOM 2075 C GLU B 103 13.686 -21.798 52.430 1.00 58.97 C ATOM 2076 O GLU B 103 13.761 -20.622 52.785 1.00 57.15 O ATOM 2077 CB GLU B 103 15.592 -23.119 51.511 1.00 60.73 C ATOM 2078 CG GLU B 103 16.334 -21.915 50.948 1.00 63.78 C ATOM 2079 CD GLU B 103 17.180 -22.250 49.737 1.00 65.11 C ATOM 2080 OE1 GLU B 103 17.928 -21.361 49.281 1.00 65.86 O ATOM 2081 OE2 GLU B 103 17.099 -23.395 49.240 1.00 66.05 O ATOM 0 H GLU B 103 14.392 -24.719 52.921 1.00 57.80 H new ATOM 0 HA GLU B 103 15.387 -22.390 53.428 1.00 59.35 H new ATOM 0 HB2 GLU B 103 16.230 -23.821 51.712 1.00 60.73 H new ATOM 0 HB3 GLU B 103 14.990 -23.468 50.835 1.00 60.73 H new ATOM 0 HG2 GLU B 103 15.691 -21.230 50.707 1.00 63.78 H new ATOM 0 HG3 GLU B 103 16.902 -21.540 51.639 1.00 63.78 H new ATOM 2082 N VAL B 104 12.657 -22.284 51.739 1.00 59.71 N ATOM 2083 CA VAL B 104 11.537 -21.437 51.342 1.00 59.98 C ATOM 2084 C VAL B 104 10.752 -20.936 52.547 1.00 61.03 C ATOM 2085 O VAL B 104 10.296 -19.796 52.565 1.00 60.73 O ATOM 2086 CB VAL B 104 10.575 -22.185 50.396 1.00 58.97 C ATOM 2087 CG1 VAL B 104 9.396 -21.287 50.032 1.00 56.74 C ATOM 2088 CG2 VAL B 104 11.317 -22.619 49.145 1.00 57.79 C ATOM 0 H VAL B 104 12.589 -23.104 51.490 1.00 59.71 H new ATOM 0 HA VAL B 104 11.921 -20.677 50.877 1.00 59.98 H new ATOM 0 HB VAL B 104 10.235 -22.974 50.846 1.00 58.97 H new ATOM 0 HG11 VAL B 104 8.797 -21.765 49.437 1.00 56.74 H new ATOM 0 HG12 VAL B 104 8.919 -21.036 50.838 1.00 56.74 H new ATOM 0 HG13 VAL B 104 9.722 -20.488 49.588 1.00 56.74 H new ATOM 0 HG21 VAL B 104 10.708 -23.089 48.554 1.00 57.79 H new ATOM 0 HG22 VAL B 104 11.670 -21.838 48.691 1.00 57.79 H new ATOM 0 HG23 VAL B 104 12.048 -23.208 49.390 1.00 57.79 H new ATOM 2089 N TRP B 105 10.592 -21.787 53.555 1.00 63.72 N ATOM 2090 CA TRP B 105 9.859 -21.391 54.748 1.00 67.17 C ATOM 2091 C TRP B 105 10.557 -20.218 55.437 1.00 69.73 C ATOM 2092 O TRP B 105 9.901 -19.290 55.911 1.00 69.40 O ATOM 2093 CB TRP B 105 9.729 -22.574 55.712 1.00 66.56 C ATOM 2094 CG TRP B 105 8.881 -22.265 56.906 1.00 66.52 C ATOM 2095 CD1 TRP B 105 9.289 -21.694 58.077 1.00 66.44 C ATOM 2096 CD2 TRP B 105 7.464 -22.445 57.019 1.00 66.34 C ATOM 2097 NE1 TRP B 105 8.214 -21.505 58.914 1.00 66.35 N ATOM 2098 CE2 TRP B 105 7.081 -21.957 58.290 1.00 66.35 C ATOM 2099 CE3 TRP B 105 6.479 -22.970 56.170 1.00 65.94 C ATOM 2100 CZ2 TRP B 105 5.754 -21.978 58.732 1.00 64.98 C ATOM 2101 CZ3 TRP B 105 5.158 -22.989 56.612 1.00 65.14 C ATOM 2102 CH2 TRP B 105 4.811 -22.496 57.882 1.00 64.97 C ATOM 0 H TRP B 105 10.897 -22.591 53.567 1.00 63.72 H new ATOM 0 HA TRP B 105 8.969 -21.109 54.484 1.00 67.17 H new ATOM 0 HB2 TRP B 105 9.349 -23.330 55.238 1.00 66.56 H new ATOM 0 HB3 TRP B 105 10.613 -22.841 56.010 1.00 66.56 H new ATOM 0 HD1 TRP B 105 10.167 -21.466 58.280 1.00 66.44 H new ATOM 0 HE1 TRP B 105 8.248 -21.159 59.701 1.00 66.35 H new ATOM 0 HE3 TRP B 105 6.703 -23.299 55.329 1.00 65.94 H new ATOM 0 HZ2 TRP B 105 5.520 -21.653 59.571 1.00 64.98 H new ATOM 0 HZ3 TRP B 105 4.495 -23.333 56.058 1.00 65.14 H new ATOM 0 HH2 TRP B 105 3.921 -22.522 58.152 1.00 64.97 H new ATOM 2103 N ASP B 106 11.886 -20.260 55.483 1.00 73.47 N ATOM 2104 CA ASP B 106 12.655 -19.186 56.106 1.00 77.36 C ATOM 2105 C ASP B 106 12.495 -17.875 55.339 1.00 78.97 C ATOM 2106 O ASP B 106 12.315 -16.818 55.943 1.00 79.67 O ATOM 2107 CB ASP B 106 14.144 -19.544 56.179 1.00 78.25 C ATOM 2108 CG ASP B 106 14.421 -20.716 57.098 1.00 79.74 C ATOM 2109 OD1 ASP B 106 13.759 -20.816 58.155 1.00 80.20 O ATOM 2110 OD2 ASP B 106 15.313 -21.528 56.769 1.00 80.24 O ATOM 0 H ASP B 106 12.361 -20.900 55.160 1.00 73.47 H new ATOM 0 HA ASP B 106 12.308 -19.073 57.005 1.00 77.36 H new ATOM 0 HB2 ASP B 106 14.466 -19.753 55.288 1.00 78.25 H new ATOM 0 HB3 ASP B 106 14.643 -18.772 56.487 1.00 78.25 H new ATOM 2111 N ASP B 107 12.568 -17.950 54.012 1.00 80.23 N ATOM 2112 CA ASP B 107 12.428 -16.771 53.160 1.00 81.60 C ATOM 2113 C ASP B 107 11.234 -15.903 53.551 1.00 81.53 C ATOM 2114 O ASP B 107 11.364 -14.663 53.469 1.00 82.00 O ATOM 2115 CB ASP B 107 12.308 -17.188 51.691 1.00 82.74 C ATOM 2116 CG ASP B 107 13.662 -17.405 51.031 1.00 84.43 C ATOM 2117 OD1 ASP B 107 13.695 -17.900 49.883 1.00 85.18 O ATOM 2118 OD2 ASP B 107 14.694 -17.070 51.654 1.00 85.05 O ATOM 0 H ASP B 107 12.700 -18.683 53.581 1.00 80.23 H new ATOM 0 HA ASP B 107 13.228 -16.237 53.286 1.00 81.60 H new ATOM 0 HB2 ASP B 107 11.789 -18.005 51.632 1.00 82.74 H new ATOM 0 HB3 ASP B 107 11.820 -16.506 51.204 1.00 82.74 H new TER 2119 ASP B 107 HETATM 2120 S SO4 A 201 5.182 -39.753 24.795 1.00 96.56 S HETATM 2121 O1 SO4 A 201 3.907 -39.770 25.536 1.00 96.75 O HETATM 2122 O2 SO4 A 201 5.611 -41.139 24.527 1.00 97.32 O HETATM 2123 O3 SO4 A 201 5.002 -39.041 23.514 1.00 96.96 O HETATM 2124 O4 SO4 A 201 6.210 -39.064 25.598 1.00 96.90 O HETATM 2125 NA NA A 202 9.467 -32.204 54.965 1.00 74.05 NA HETATM 2126 C1 DHT A 200 -0.068 -28.005 39.710 1.00 30.72 C HETATM 2127 C2 DHT A 200 -0.842 -26.751 40.162 1.00 29.12 C HETATM 2128 C3 DHT A 200 -2.295 -26.891 39.621 1.00 30.94 C HETATM 2129 O3 DHT A 200 -2.794 -25.936 39.038 1.00 32.04 O HETATM 2130 C4 DHT A 200 -3.009 -28.193 39.844 1.00 29.31 C HETATM 2131 C5 DHT A 200 -2.183 -29.405 39.355 1.00 29.59 C HETATM 2132 C6 DHT A 200 -2.910 -30.759 39.612 1.00 29.34 C HETATM 2133 C7 DHT A 200 -2.048 -31.922 39.085 1.00 31.82 C HETATM 2134 C8 DHT A 200 -0.619 -31.963 39.742 1.00 31.16 C HETATM 2135 C9 DHT A 200 0.098 -30.593 39.485 1.00 31.23 C HETATM 2136 C10 DHT A 200 -0.729 -29.370 40.044 1.00 30.77 C HETATM 2137 C11 DHT A 200 1.534 -30.668 40.109 1.00 32.17 C HETATM 2138 C12 DHT A 200 2.407 -31.820 39.658 1.00 29.73 C HETATM 2139 C13 DHT A 200 1.691 -33.187 39.791 1.00 32.88 C HETATM 2140 C14 DHT A 200 0.252 -33.091 39.166 1.00 30.65 C HETATM 2141 C15 DHT A 200 -0.254 -34.541 39.324 1.00 31.78 C HETATM 2142 C16 DHT A 200 0.989 -35.359 38.871 1.00 32.89 C HETATM 2143 C17 DHT A 200 2.185 -34.363 38.953 1.00 31.22 C HETATM 2144 O17 DHT A 200 3.320 -35.030 39.530 1.00 36.06 O HETATM 2145 C18 DHT A 200 1.631 -33.574 41.328 1.00 30.63 C HETATM 2146 C19 DHT A 200 -0.852 -29.521 41.619 1.00 26.99 C HETATM 0 H193 DHT A 200 0.031 -29.482 42.018 1.00 26.99 H new HETATM 0 H192 DHT A 200 -1.398 -28.801 41.972 1.00 26.99 H new HETATM 0 H191 DHT A 200 -1.265 -30.373 41.831 1.00 26.99 H new HETATM 0 H183 DHT A 200 2.532 -33.636 41.682 1.00 30.63 H new HETATM 0 H182 DHT A 200 1.139 -32.894 41.814 1.00 30.63 H new HETATM 0 H181 DHT A 200 1.185 -34.429 41.429 1.00 30.63 H new HETATM 0 H162 DHT A 200 1.132 -36.127 39.446 1.00 32.89 H new HETATM 0 H161 DHT A 200 0.876 -35.698 37.969 1.00 32.89 H new HETATM 0 H152 DHT A 200 -0.508 -34.741 40.239 1.00 31.78 H new HETATM 0 H151 DHT A 200 -1.029 -34.719 38.769 1.00 31.78 H new HETATM 0 H122 DHT A 200 2.668 -31.683 38.734 1.00 29.73 H new HETATM 0 H121 DHT A 200 3.222 -31.831 40.185 1.00 29.73 H new HETATM 0 H112 DHT A 200 1.996 -29.840 39.907 1.00 32.17 H new HETATM 0 H111 DHT A 200 1.444 -30.715 41.074 1.00 32.17 H new HETATM 0 HO7 DHT A 200 3.987 -34.519 39.508 1.00 36.06 H new HETATM 0 H9 DHT A 200 0.166 -30.440 38.530 1.00 31.23 H new HETATM 0 H8 DHT A 200 -0.734 -32.128 40.691 1.00 31.16 H new HETATM 0 H72 DHT A 200 -2.503 -32.761 39.257 1.00 31.82 H new HETATM 0 H71 DHT A 200 -1.956 -31.841 38.123 1.00 31.82 H new HETATM 0 H62 DHT A 200 -3.075 -30.872 40.561 1.00 29.34 H new HETATM 0 H61 DHT A 200 -3.774 -30.760 39.172 1.00 29.34 H new HETATM 0 H5 DHT A 200 -2.080 -29.338 38.393 1.00 29.59 H new HETATM 0 H42 DHT A 200 -3.202 -28.296 40.789 1.00 29.31 H new HETATM 0 H41 DHT A 200 -3.861 -28.176 39.380 1.00 29.31 H new HETATM 0 H22 DHT A 200 -0.842 -26.678 41.129 1.00 29.12 H new HETATM 0 H21 DHT A 200 -0.424 -25.947 39.817 1.00 29.12 H new HETATM 0 H17 DHT A 200 2.476 -34.042 38.085 1.00 31.22 H new HETATM 0 H14 DHT A 200 0.230 -32.808 38.238 1.00 30.65 H new HETATM 0 H12 DHT A 200 0.062 -27.955 38.750 1.00 30.72 H new HETATM 0 H11 DHT A 200 0.812 -27.984 40.117 1.00 30.72 H new HETATM 2147 C1 EDO A 203 1.199 -15.307 47.399 1.00 49.41 C HETATM 2148 O1 EDO A 203 1.616 -14.088 46.750 1.00 50.96 O HETATM 2149 C2 EDO A 203 0.347 -14.864 48.561 1.00 49.60 C HETATM 2150 O2 EDO A 203 -0.702 -14.087 47.976 1.00 49.31 O HETATM 0 HO2 EDO A 203 -1.427 -14.257 48.364 1.00 49.31 H new HETATM 0 HO1 EDO A 203 0.979 -13.540 46.747 1.00 50.96 H new HETATM 0 H22 EDO A 203 -0.008 -15.625 49.046 1.00 49.60 H new HETATM 0 H21 EDO A 203 0.862 -14.339 49.194 1.00 49.60 H new HETATM 0 H12 EDO A 203 0.697 -15.873 46.792 1.00 49.41 H new HETATM 0 H11 EDO A 203 1.963 -15.822 47.701 1.00 49.41 H new HETATM 2151 O HOH A 1 -4.445 -32.454 49.463 1.00 27.93 O HETATM 2152 O HOH A 2 -7.641 -15.957 49.408 1.00 26.14 O HETATM 2153 O HOH A 3 -2.242 -15.088 61.950 1.00 46.04 O HETATM 2154 O HOH A 4 -4.811 -13.388 62.576 1.00 30.92 O HETATM 2155 O HOH A 5 -12.549 -31.039 51.682 1.00 31.16 O HETATM 2156 O HOH A 6 -5.416 -29.732 57.055 1.00 40.36 O HETATM 2157 O HOH A 7 -9.047 -18.405 49.787 1.00 28.84 O HETATM 2158 O HOH A 8 -4.011 -23.898 41.348 1.00 32.76 O HETATM 2159 O HOH A 9 -16.815 -36.061 59.679 1.00 38.80 O HETATM 2160 O HOH A 10 -1.181 -21.219 37.487 1.00 31.95 O HETATM 2161 O HOH A 11 -0.868 -24.054 26.948 1.00 39.14 O HETATM 2162 O HOH A 12 -1.471 -26.296 66.149 1.00 36.41 O HETATM 2163 O HOH A 13 -13.735 -38.124 28.715 1.00 48.38 O HETATM 2164 O HOH A 14 -1.226 -32.624 49.279 1.00 34.27 O HETATM 2165 O HOH A 15 -13.682 -30.304 55.530 1.00 40.34 O HETATM 2166 O HOH A 16 -17.115 -32.526 41.718 1.00 51.07 O HETATM 2167 O HOH A 17 -14.772 -36.426 43.739 1.00 37.19 O HETATM 2168 O HOH A 18 -13.857 -37.498 57.991 1.00 49.12 O HETATM 2169 O HOH A 19 -22.934 -33.491 40.357 1.00 50.55 O HETATM 2170 O HOH A 20 -24.720 -17.727 46.958 1.00 53.92 O HETATM 2171 O HOH A 21 -9.923 -41.406 45.364 1.00 40.22 O HETATM 2172 O HOH A 22 -5.774 -37.514 49.738 1.00 48.35 O HETATM 2173 O HOH A 23 -2.349 -18.900 37.839 1.00 40.49 O HETATM 2174 O HOH A 24 -4.760 -20.807 47.456 1.00 42.19 O HETATM 2175 O HOH A 25 -4.147 -29.762 71.968 1.00 56.11 O HETATM 2176 O HOH A 26 -11.753 -14.767 43.198 1.00 44.79 O HETATM 2177 O HOH A 27 8.540 -40.291 29.015 1.00 50.07 O HETATM 2178 O HOH A 28 -6.629 -21.159 66.758 1.00 41.43 O HETATM 2179 O HOH A 29 -12.582 -42.077 44.183 1.00 50.77 O HETATM 2180 O HOH A 30 5.595 -30.354 60.661 1.00 45.76 O HETATM 2181 O HOH A 31 -20.518 -25.987 34.216 1.00 46.79 O HETATM 2182 O HOH A 32 -6.874 -19.200 40.895 1.00 41.38 O HETATM 2183 O HOH A 33 -24.106 -29.836 40.402 1.00 51.84 O HETATM 2184 O HOH A 34 -2.375 -32.035 70.694 1.00 57.08 O HETATM 2185 O HOH A 35 -6.892 -32.263 49.907 1.00 37.78 O HETATM 2186 O HOH A 36 2.798 -43.086 35.519 1.00 50.12 O HETATM 2187 O HOH A 37 -19.463 -34.652 47.773 1.00 42.04 O HETATM 2188 O HOH A 38 8.777 -29.253 30.068 1.00 45.22 O HETATM 2189 O HOH A 39 2.675 -34.590 20.707 1.00 47.89 O HETATM 2190 O HOH A 40 -0.952 -44.062 39.788 1.00 41.93 O HETATM 2191 O HOH A 41 -4.807 -15.894 33.701 1.00 46.46 O HETATM 2192 O HOH A 42 -11.532 -30.790 63.779 1.00 54.32 O HETATM 2193 O HOH A 43 -1.682 -40.397 62.519 1.00 50.77 O HETATM 2194 O HOH A 44 -7.978 -46.369 47.332 1.00 56.51 O HETATM 2195 O HOH A 45 -19.887 -35.784 50.383 1.00 41.80 O HETATM 2196 O HOH A 46 6.736 -19.104 42.562 1.00 50.71 O HETATM 2197 O HOH A 47 -2.360 -21.711 26.358 1.00 52.05 O HETATM 2198 O HOH A 48 -9.585 -6.810 49.753 1.00 44.88 O HETATM 2199 O HOH A 49 4.597 -20.515 26.207 1.00 58.78 O HETATM 2200 O HOH A 50 -3.925 -14.528 66.845 1.00 46.44 O HETATM 2201 O HOH A 51 8.972 -30.071 57.208 1.00 51.30 O HETATM 2202 O HOH A 52 -8.711 -16.128 29.761 1.00 58.27 O HETATM 2203 O HOH A 53 -21.386 -14.976 48.095 1.00 50.55 O HETATM 2204 O HOH A 54 -11.577 -16.464 61.184 1.00 48.69 O HETATM 2205 O HOH A 55 -5.810 -40.819 53.569 1.00 40.09 O HETATM 2206 O HOH A 56 -2.857 -46.572 48.365 1.00 51.18 O HETATM 2207 O HOH A 57 13.629 -35.496 39.597 1.00 53.13 O HETATM 2208 O HOH A 58 -16.562 -11.074 55.833 1.00 52.74 O HETATM 2209 O HOH A 59 -1.555 -11.422 38.416 1.00 45.08 O HETATM 2210 O HOH A 60 -9.726 -17.056 37.699 1.00 47.58 O HETATM 2211 O HOH A 61 5.570 -22.862 67.254 1.00 52.64 O HETATM 2212 O HOH A 62 -3.535 -25.613 24.494 1.00 54.47 O HETATM 2213 O HOH A 63 12.830 -47.896 40.510 1.00 63.93 O HETATM 2214 O HOH A 64 5.643 -46.444 40.562 1.00 50.23 O HETATM 2215 O HOH A 65 -11.755 -15.140 39.492 1.00 57.83 O HETATM 2216 O HOH A 66 8.323 -18.344 33.500 1.00 57.34 O HETATM 2217 O HOH A 67 3.901 -29.031 24.515 1.00 48.63 O HETATM 2218 O HOH A 68 2.044 -28.031 20.745 1.00 59.53 O HETATM 2219 O HOH A 69 -2.594 -11.064 56.621 1.00 42.20 O HETATM 2220 O HOH A 70 -27.159 -23.648 57.634 1.00 53.65 O HETATM 2221 O HOH A 71 -4.389 -44.849 60.587 1.00 55.26 O HETATM 2222 O HOH A 72 -1.488 -29.816 22.044 1.00 46.48 O HETATM 2223 O HOH A 73 -2.407 -18.551 40.724 1.00 45.99 O HETATM 2224 O HOH A 74 -5.431 -16.511 38.083 1.00 73.92 O HETATM 2225 O HOH A 75 10.226 -30.446 36.502 1.00 45.89 O HETATM 2226 O HOH A 76 -7.646 -30.381 52.203 1.00 45.09 O HETATM 2227 O HOH A 77 -13.537 -15.712 29.875 1.00 65.60 O HETATM 2228 O HOH A 78 -6.458 -41.931 27.821 1.00 51.53 O HETATM 2229 O HOH A 79 -6.497 -42.174 33.068 1.00 52.52 O HETATM 2230 O HOH A 80 -16.479 -40.286 44.877 1.00 52.61 O HETATM 2231 O HOH A 81 -4.485 -42.294 40.498 1.00 45.55 O HETATM 2232 O HOH A 82 3.694 -44.221 33.021 1.00 64.06 O HETATM 2233 O HOH A 83 4.275 -33.605 59.374 1.00 54.96 O HETATM 2234 O HOH A 84 0.922 -33.929 61.652 1.00 52.52 O HETATM 2235 O HOH A 85 -1.627 -15.148 59.468 1.00 35.79 O HETATM 2236 O HOH A 86 -19.304 -30.537 29.535 1.00 49.36 O HETATM 2237 O HOH A 87 -20.918 -32.156 44.598 1.00 57.02 O HETATM 2238 O HOH A 88 0.367 -13.131 43.687 1.00 51.39 O CONECT 1868 2125 CONECT 2120 2121 2122 2123 2124 CONECT 2121 2120 CONECT 2122 2120 CONECT 2123 2120 CONECT 2124 2120 CONECT 2125 1868 CONECT 2126 2127 2136 CONECT 2127 2126 2128 CONECT 2128 2127 2129 2130 CONECT 2129 2128 CONECT 2130 2128 2131 CONECT 2131 2130 2132 2136 CONECT 2132 2131 2133 CONECT 2133 2132 2134 CONECT 2134 2133 2135 2140 CONECT 2135 2134 2136 2137 CONECT 2136 2126 2131 2135 2146 CONECT 2137 2135 2138 CONECT 2138 2137 2139 CONECT 2139 2138 2140 2143 2145 CONECT 2140 2134 2139 2141 CONECT 2141 2140 2142 CONECT 2142 2141 2143 CONECT 2143 2139 2142 2144 CONECT 2144 2143 CONECT 2145 2139 CONECT 2146 2136 CONECT 2147 2148 2149 CONECT 2148 2147 CONECT 2149 2147 2150 CONECT 2150 2149 END