USER MOD reduce.3.24.130724 H: found=0, std=0, add=2231, rem=0, adj=70 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HORMONE/GROWTH FACTOR RECEPTOR 10-MAY-04 1T7R TITLE CRYSTAL STRUCTURE OF THE ANDROGEN RECEPTOR LIGAND BINDING TITLE 2 DOMAIN IN COMPLEX WITH A FXXLF 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: FXXLF 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 1T7R 1 VERSN REVDAT 2 28-SEP-04 1T7R 1 JRNL REVDAT 1 31-AUG-04 1T7R 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. 1.40 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1105696.220 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 98.1 REMARK 3 NUMBER OF REFLECTIONS : 49611 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) : 0.196 REMARK 3 FREE R VALUE : 0.205 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2477 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.004 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) : 1.40 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.49 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 91.10 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 7172 REMARK 3 BIN R VALUE (WORKING SET) : 0.3270 REMARK 3 BIN FREE R VALUE : 0.3490 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.20 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 391 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.018 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2144 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 21 REMARK 3 SOLVENT ATOMS : 203 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 17.40 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 22.40 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 9.21000 REMARK 3 B22 (A**2) : -6.27000 REMARK 3 B33 (A**2) : -2.95000 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) : 0.17 REMARK 3 ESD FROM SIGMAA (A) : 0.24 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) : 0.19 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.29 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 1.10 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 18.62 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.85 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) : 1.100 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.700 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.180 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.190 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.40 REMARK 3 BSOL : 50.93 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 1T7R 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 RCSB022417. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 27-MAR-03 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.4 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) : 1.107 REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL SI(111) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 49703 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.400 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 (%) : 98.5 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.07200 REMARK 200 FOR THE DATA SET : 21.3000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.40 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.42 REMARK 200 COMPLETENESS FOR SHELL (%) : 88.4 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.57100 REMARK 200 FOR SHELL : 2.000 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: CNS 1.1 REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 36.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.90 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: SODIUM CITRATE, TRIS, HEPES, REMARK 280 LITHIUM SULFATE, GLYCEROL, TCEP, N-OCTYL GLUCOSIDE, 5-ALPHA REMARK 280 DIHYDROTESTOSTERONE, PH 7.4, VAPOR DIFFUSION, HANGING DROP, REMARK 280 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 27.70350 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 34.41600 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 33.10000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 34.41600 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 27.70350 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 33.10000 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: 1700 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 12380 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -10.0 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 GLN A 919 REMARK 465 GLU B 108 REMARK 465 LYS B 109 REMARK 465 GLU B 110 REMARK 465 SER B 111 REMARK 465 ARG B 112 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 LEU A 768 78.85 -152.15 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 DHT A 300 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1T76 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: 1T73 RELATED DB: PDB REMARK 900 RELATED ID: 1T74 RELATED DB: PDB REMARK 900 RELATED ID: 1T7T RELATED DB: PDB DBREF 1T7R A 662 919 UNP O97775 ANDR_PANTR 654 911 DBREF 1T7R B 98 112 PDB 1T7R 1T7R 98 112 SEQADV 1T7R GLY A 651 UNP O97775 CLONING ARTIFACT SEQADV 1T7R SER A 652 UNP O97775 CLONING ARTIFACT SEQADV 1T7R PRO A 653 UNP O97775 CLONING ARTIFACT SEQADV 1T7R GLY A 654 UNP O97775 CLONING ARTIFACT SEQADV 1T7R ILE A 655 UNP O97775 CLONING ARTIFACT SEQADV 1T7R SER A 656 UNP O97775 CLONING ARTIFACT SEQADV 1T7R GLY A 657 UNP O97775 CLONING ARTIFACT SEQADV 1T7R GLY A 658 UNP O97775 CLONING ARTIFACT SEQADV 1T7R GLY A 659 UNP O97775 CLONING ARTIFACT SEQADV 1T7R GLY A 660 UNP O97775 CLONING ARTIFACT SEQADV 1T7R 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 SER ARG PHE GLU SER LEU PHE ALA GLY GLU LYS GLU SEQRES 2 B 15 SER ARG HET DHT A 300 21 HETNAM DHT 5-ALPHA-DIHYDROTESTOSTERONE FORMUL 3 DHT C19 H30 O2 FORMUL 4 HOH *203(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 PHE A 813 1 14 HELIX 8 8 ASN A 823 CYS A 844 1 22 HELIX 9 9 ASN A 848 LYS A 883 1 36 HELIX 10 10 LYS A 883 SER A 888 1 6 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 98 GLY B 107 1 10 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 SITE *** AC1 7 LEU A 704 ASN A 705 GLN A 711 MET A 749 SITE *** AC1 7 ARG A 752 PHE A 764 THR A 877 CRYST1 55.407 66.200 68.832 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 0.018048 0.000000 0.000000 0.00000 SCALE2 0.000000 0.015106 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014528 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 902 GLN : amide:sc= 0.291 K(o=0.61,f=-2.7) USER MOD Set 1.2: A 905 LYS NZ :NH3+ 171:sc= 0.316 (180deg=0) USER MOD Set 2.1: A 860 THR OG1 : rot 101:sc= 1.04 USER MOD Set 2.2: A 917 HIS : no HE2:sc= 2.15 K(o=3.2,f=-6.3!) USER MOD Set 3.1: A 844 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 845 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0117) USER MOD Set 4.1: A 782 SER OG : rot -13:sc= 0.391 USER MOD Set 4.2: A 783 GLN : amide:sc= 1.34 K(o=1.7,f=-6.7!) USER MOD Set 5.1: A 780 MET CE A:methyl 179:sc= 0 (180deg=-0.000485) USER MOD Set 5.2: A 784 CYS SG : rot 78:sc= 0.00547 USER MOD Set 6.1: A 759 SER OG : rot -63:sc= 1.57 USER MOD Set 6.2: A 791 SER OG : rot 65:sc= 0.725 USER MOD Set 7.1: A 689 HIS : no HE2:sc= 2.41 K(o=4.3,f=-6.2!) USER MOD Set 7.2: A 703 SER OG : rot -60:sc= 1.89 USER MOD Set 8.1: A 300 DHT O17 : rot -73:sc= 1.99 USER MOD Set 8.2: A 705 ASN : amide:sc= 1.32 K(o=4.3,f=1) USER MOD Set 8.3: A 877 THR OG1 : rot 88:sc= 0.943 USER MOD Single : A 669 CYS SG : rot 180:sc= 0 USER MOD Single : A 670 GLN : amide:sc= 1.04 X(o=1,f=0.9) USER MOD Single : A 675 ASN : amide:sc= 0.306 K(o=0.31,f=-0.93!) USER MOD Single : A 686 CYS SG : rot -111:sc= 1.75 USER MOD Single : A 691 ASN : amide:sc= 2.73 K(o=2.7,f=-3.7!) USER MOD Single : A 692 ASN : amide:sc= 0.0149 X(o=0.015,f=0) USER MOD Single : A 693 GLN : amide:sc= 0.065 X(o=0.065,f=0.035) USER MOD Single : A 696 SER OG : rot 180:sc= 0.0745 USER MOD Single : A 702 SER OG : rot 85:sc= 1.02 USER MOD Single : A 711 GLN A:FLIP amide:sc= 0.748 F(o=-0.68!,f=0.75) USER MOD Single : A 711 GLN B:FLIP amide:sc= -0.357 F(o=-2.2!,f=-0.36) USER MOD Single : A 714 HIS : no HE2:sc= 0.0859 X(o=0.086,f=0.018) USER MOD Single : A 717 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 LYS NZ :NH3+ 179:sc= 1.32 (180deg=1.29) USER MOD Single : A 727 ASN : amide:sc= 0.433 X(o=0.43,f=0.2) USER MOD Single : A 729 HIS :FLIP no HD1:sc= 0.712 F(o=-4.8!,f=0.71) USER MOD Single : A 733 GLN : amide:sc= 0.339 K(o=0.34,f=-1.4) USER MOD Single : A 734 MET CE :methyl -178:sc= 0 (180deg=-0.0047) USER MOD Single : A 738 GLN : amide:sc= 0.813 K(o=0.81,f=0.2) USER MOD Single : A 739 TYR OH : rot 30:sc= 0.405 USER MOD Single : A 740 SER OG A: rot -60:sc= 0.615 USER MOD Single : A 740 SER OG B: rot -148:sc= 0.438 USER MOD Single : A 742 MET CE :methyl -128:sc= -0.122 (180deg=-0.273) USER MOD Single : A 745 MET CE :methyl 168:sc= -0.0224 (180deg=-0.173) USER MOD Single : A 749 MET CE :methyl -144:sc= -0.0991 (180deg=-1.18) USER MOD Single : A 753 SER OG : rot 73:sc= 1.32 USER MOD Single : A 755 THR OG1 : rot -73:sc= 1.04 USER MOD Single : A 756 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 758 ASN : amide:sc= 0.00909 K(o=0.0091,f=-1) USER MOD Single : A 761 MET CE A:methyl 177:sc=-0.00306 (180deg=-0.0161) USER MOD Single : A 761 MET CE B:methyl 144:sc= -0.172 (180deg=-1.72!) USER MOD Single : A 763 TYR OH : rot 180:sc= 1 USER MOD Single : A 771 ASN : amide:sc= -0.043 K(o=-0.043,f=-5.2!) USER MOD Single : A 773 TYR OH : rot 30:sc= 1.15 USER MOD Single : A 775 MET CE :methyl -167:sc=-0.00979 (180deg=-0.167) USER MOD Single : A 776 HIS : no HD1:sc= 0.0111 X(o=0.011,f=-0.0036) USER MOD Single : A 777 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 778 SER OG : rot -58:sc= 1.15 USER MOD Single : A 780 MET CE B:methyl -115:sc= -0.246 (180deg=-0.7) USER MOD Single : A 781 TYR OH : rot 180:sc= 1.88 USER MOD Single : A 787 MET CE :methyl -159:sc= -0.0312 (180deg=-0.617) USER MOD Single : A 789 HIS : no HD1:sc=-0.00783 X(o=-0.0078,f=-0.32) USER MOD Single : A 792 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 798 GLN : amide:sc= 1.5 K(o=1.5,f=0.84) USER MOD Single : A 800 THR OG1 : rot -171:sc= 0.557 USER MOD Single : A 802 GLN : amide:sc= 0.217 K(o=0.22,f=-1.3) USER MOD Single : A 806 CYS SG A: rot 160:sc= 0 USER MOD Single : A 806 CYS SG B: rot 180:sc= -0.278 USER MOD Single : A 807 MET CE A:methyl 145:sc= -0.145 (180deg=-1.5) USER MOD Single : A 807 MET CE B:methyl 141:sc= -2.68 (180deg=-4.78!) USER MOD Single : A 808 LYS NZ :NH3+ 157:sc= 2.28 (180deg=1.56) USER MOD Single : A 814 SER OG : rot 71:sc= 1.92 USER MOD Single : A 822 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 823 ASN : amide:sc= -1.71 K(o=-1.7,f=-4.2!) USER MOD Single : A 824 GLN : amide:sc= 1.42 K(o=1.4,f=-1.9!) USER MOD Single : A 825 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 832 MET CE :methyl -162:sc= -0.286 (180deg=-1.03) USER MOD Single : A 833 ASN : amide:sc= -0.0268 X(o=-0.027,f=0.25) USER MOD Single : A 834 TYR OH : rot -4:sc= 0.707 USER MOD Single : A 836 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 848 ASN :FLIP amide:sc= -5.9! C(o=-10!,f=-5.9!) USER MOD Single : A 850 THR OG1 : rot 180:sc= 0 USER MOD Single : A 851 SER OG : rot -49:sc= 1.15 USER MOD Single : A 852 CYS SG : rot 76:sc= -0.166 USER MOD Single : A 853 SER OG : rot 74:sc= 0.414 USER MOD Single : A 857 TYR OH : rot 180:sc= -0.632 USER MOD Single : A 858 GLN : amide:sc= 0.128 K(o=0.13,f=-7.1!) USER MOD Single : A 861 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 865 SER OG : rot -45:sc= 2.39 USER MOD Single : A 867 GLN : amide:sc= 0.622 K(o=0.62,f=-3.9!) USER MOD Single : A 874 HIS :FLIP no HE2:sc= 1.46 F(o=-3.2!,f=1.5) USER MOD Single : A 875 GLN : amide:sc= -0.0976 X(o=-0.098,f=-0.098) USER MOD Single : A 883 LYS NZ :NH3+ -121:sc= 0.806 (180deg=-0.109) USER MOD Single : A 884 SER OG : rot -86:sc= 0.146 USER MOD Single : A 885 HIS : no HD1:sc= 0.436 K(o=0.44,f=-3.7!) USER MOD Single : A 886 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 888 SER OG : rot 180:sc= 0 USER MOD Single : A 894 MET CE :methyl -108:sc= -2.52 (180deg=-7.93!) USER MOD Single : A 895 MET CE :methyl -173:sc= 0 (180deg=-0.0514) USER MOD Single : A 900 SER OG : rot -84:sc= 0.676 USER MOD Single : A 908 SER OG : rot -83:sc= 0.279 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= 0.769 USER MOD Single : A 918 THR OG1 : rot -62:sc= 0 USER MOD Single : B 98 SER OG : rot 23:sc= 0.821 USER MOD Single : B 99 SER OG : rot 180:sc= 0 USER MOD Single : B 103 SER OG : rot 75:sc= 0.382 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 669 21.981 2.297 56.679 1.00 42.63 N ATOM 2 CA CYS A 669 20.883 3.094 57.297 1.00 42.59 C ATOM 3 C CYS A 669 19.875 3.509 56.228 1.00 40.59 C ATOM 4 O CYS A 669 20.248 3.802 55.092 1.00 40.54 O ATOM 5 CB CYS A 669 21.460 4.338 57.978 1.00 44.42 C ATOM 6 SG CYS A 669 20.270 5.287 58.950 1.00 49.52 S ATOM 0 HA CYS A 669 20.434 2.549 57.961 1.00 42.59 H new ATOM 0 HB2 CYS A 669 22.189 4.066 58.558 1.00 44.42 H new ATOM 0 HB3 CYS A 669 21.839 4.917 57.299 1.00 44.42 H new ATOM 0 HG CYS A 669 20.819 6.235 59.441 1.00 49.52 H new ATOM 7 N GLN A 670 18.598 3.529 56.594 1.00 38.02 N ATOM 8 CA GLN A 670 17.546 3.904 55.654 1.00 35.49 C ATOM 9 C GLN A 670 17.295 5.409 55.632 1.00 31.92 C ATOM 10 O GLN A 670 17.216 6.050 56.680 1.00 31.37 O ATOM 11 CB GLN A 670 16.235 3.193 56.005 1.00 36.31 C ATOM 12 CG GLN A 670 16.272 1.684 55.861 1.00 37.86 C ATOM 13 CD GLN A 670 14.899 1.062 56.029 1.00 39.84 C ATOM 14 OE1 GLN A 670 13.981 1.340 55.256 1.00 39.50 O ATOM 15 NE2 GLN A 670 14.749 0.218 57.045 1.00 39.61 N ATOM 0 H GLN A 670 18.319 3.329 57.382 1.00 38.02 H new ATOM 0 HA GLN A 670 17.853 3.632 54.775 1.00 35.49 H new ATOM 0 HB2 GLN A 670 15.998 3.412 56.920 1.00 36.31 H new ATOM 0 HB3 GLN A 670 15.530 3.542 55.437 1.00 36.31 H new ATOM 0 HG2 GLN A 670 16.626 1.452 54.988 1.00 37.86 H new ATOM 0 HG3 GLN A 670 16.877 1.312 56.521 1.00 37.86 H new ATOM 0 HE21 GLN A 670 15.413 0.048 57.564 1.00 39.61 H new ATOM 0 HE22 GLN A 670 13.988 -0.158 57.183 1.00 39.61 H new ATOM 16 N PRO A 671 17.182 5.994 54.428 1.00 29.12 N ATOM 17 CA PRO A 671 16.931 7.432 54.297 1.00 26.63 C ATOM 18 C PRO A 671 15.434 7.657 54.487 1.00 23.54 C ATOM 19 O PRO A 671 14.712 7.958 53.537 1.00 22.09 O ATOM 20 CB PRO A 671 17.389 7.727 52.874 1.00 27.61 C ATOM 21 CG PRO A 671 16.996 6.476 52.152 1.00 28.82 C ATOM 22 CD PRO A 671 17.415 5.378 53.109 1.00 29.30 C ATOM 0 HA PRO A 671 17.384 8.002 54.938 1.00 26.63 H new ATOM 0 HB2 PRO A 671 16.950 8.511 52.507 1.00 27.61 H new ATOM 0 HB3 PRO A 671 18.344 7.888 52.827 1.00 27.61 H new ATOM 0 HG2 PRO A 671 16.043 6.450 51.972 1.00 28.82 H new ATOM 0 HG3 PRO A 671 17.448 6.398 51.297 1.00 28.82 H new ATOM 0 HD2 PRO A 671 16.887 4.573 52.988 1.00 29.30 H new ATOM 0 HD3 PRO A 671 18.344 5.128 52.987 1.00 29.30 H new ATOM 23 N ILE A 672 14.978 7.489 55.724 1.00 21.35 N ATOM 24 CA ILE A 672 13.565 7.635 56.061 1.00 20.11 C ATOM 25 C ILE A 672 12.937 8.934 55.565 1.00 18.69 C ATOM 26 O ILE A 672 11.902 8.914 54.897 1.00 16.77 O ATOM 27 CB ILE A 672 13.352 7.524 57.589 1.00 20.62 C ATOM 28 CG1 ILE A 672 13.800 6.141 58.076 1.00 22.76 C ATOM 29 CG2 ILE A 672 11.890 7.782 57.937 1.00 21.51 C ATOM 30 CD1 ILE A 672 13.139 4.982 57.355 1.00 23.29 C ATOM 0 H ILE A 672 15.479 7.287 56.393 1.00 21.35 H new ATOM 0 HA ILE A 672 13.118 6.909 55.599 1.00 20.11 H new ATOM 0 HB ILE A 672 13.889 8.195 58.038 1.00 20.62 H new ATOM 0 HG12 ILE A 672 14.761 6.068 57.970 1.00 22.76 H new ATOM 0 HG13 ILE A 672 13.613 6.067 59.025 1.00 22.76 H new ATOM 0 HG21 ILE A 672 11.768 7.710 58.897 1.00 21.51 H new ATOM 0 HG22 ILE A 672 11.640 8.673 57.646 1.00 21.51 H new ATOM 0 HG23 ILE A 672 11.330 7.128 57.490 1.00 21.51 H new ATOM 0 HD11 ILE A 672 13.471 4.145 57.716 1.00 23.29 H new ATOM 0 HD12 ILE A 672 12.178 5.029 57.479 1.00 23.29 H new ATOM 0 HD13 ILE A 672 13.345 5.030 56.408 1.00 23.29 H new ATOM 31 N PHE A 673 13.562 10.061 55.886 1.00 17.87 N ATOM 32 CA PHE A 673 13.043 11.359 55.473 1.00 17.29 C ATOM 33 C PHE A 673 12.857 11.454 53.953 1.00 18.07 C ATOM 34 O PHE A 673 11.772 11.799 53.469 1.00 16.33 O ATOM 35 CB PHE A 673 13.982 12.464 55.954 1.00 19.27 C ATOM 36 CG PHE A 673 13.543 13.840 55.567 1.00 19.75 C ATOM 37 CD1 PHE A 673 12.448 14.435 56.180 1.00 18.57 C ATOM 38 CD2 PHE A 673 14.214 14.536 54.569 1.00 19.65 C ATOM 39 CE1 PHE A 673 12.024 15.707 55.805 1.00 19.46 C ATOM 40 CE2 PHE A 673 13.800 15.806 54.185 1.00 18.76 C ATOM 41 CZ PHE A 673 12.703 16.394 54.804 1.00 19.42 C ATOM 0 H PHE A 673 14.289 10.096 56.343 1.00 17.87 H new ATOM 0 HA PHE A 673 12.168 11.467 55.877 1.00 17.29 H new ATOM 0 HB2 PHE A 673 14.055 12.417 56.920 1.00 19.27 H new ATOM 0 HB3 PHE A 673 14.868 12.303 55.594 1.00 19.27 H new ATOM 0 HD1 PHE A 673 11.992 13.978 56.849 1.00 18.57 H new ATOM 0 HD2 PHE A 673 14.949 14.147 54.153 1.00 19.65 H new ATOM 0 HE1 PHE A 673 11.289 16.096 56.222 1.00 19.46 H new ATOM 0 HE2 PHE A 673 14.256 16.262 53.515 1.00 18.76 H new ATOM 0 HZ PHE A 673 12.424 17.244 54.550 1.00 19.42 H new ATOM 42 N LEU A 674 13.912 11.148 53.202 1.00 17.52 N ATOM 43 CA LEU A 674 13.841 11.201 51.747 1.00 17.40 C ATOM 44 C LEU A 674 12.874 10.178 51.167 1.00 16.49 C ATOM 45 O LEU A 674 12.260 10.430 50.127 1.00 17.27 O ATOM 46 CB LEU A 674 15.229 11.015 51.135 1.00 18.69 C ATOM 47 CG LEU A 674 16.067 12.295 51.090 1.00 20.46 C ATOM 48 CD1 LEU A 674 17.478 11.970 50.621 1.00 20.17 C ATOM 49 CD2 LEU A 674 15.407 13.298 50.156 1.00 20.61 C ATOM 0 H LEU A 674 14.676 10.908 53.516 1.00 17.52 H new ATOM 0 HA LEU A 674 13.500 12.080 51.518 1.00 17.40 H new ATOM 0 HB2 LEU A 674 15.709 10.343 51.644 1.00 18.69 H new ATOM 0 HB3 LEU A 674 15.131 10.672 50.233 1.00 18.69 H new ATOM 0 HG LEU A 674 16.121 12.683 51.977 1.00 20.46 H new ATOM 0 HD11 LEU A 674 18.006 12.784 50.594 1.00 20.17 H new ATOM 0 HD12 LEU A 674 17.887 11.340 51.236 1.00 20.17 H new ATOM 0 HD13 LEU A 674 17.442 11.579 49.734 1.00 20.17 H new ATOM 0 HD21 LEU A 674 15.937 14.110 50.126 1.00 20.61 H new ATOM 0 HD22 LEU A 674 15.346 12.919 49.265 1.00 20.61 H new ATOM 0 HD23 LEU A 674 14.517 13.505 50.480 1.00 20.61 H new ATOM 50 N ASN A 675 12.753 9.022 51.820 1.00 15.68 N ATOM 51 CA ASN A 675 11.815 8.001 51.360 1.00 15.94 C ATOM 52 C ASN A 675 10.426 8.618 51.361 1.00 15.95 C ATOM 53 O ASN A 675 9.656 8.446 50.415 1.00 15.39 O ATOM 54 CB ASN A 675 11.780 6.788 52.300 1.00 17.07 C ATOM 55 CG ASN A 675 12.929 5.832 52.081 1.00 18.68 C ATOM 56 OD1 ASN A 675 13.628 5.895 51.067 1.00 19.34 O ATOM 57 ND2 ASN A 675 13.114 4.915 53.026 1.00 20.05 N ATOM 0 H ASN A 675 13.200 8.812 52.524 1.00 15.68 H new ATOM 0 HA ASN A 675 12.094 7.703 50.480 1.00 15.94 H new ATOM 0 HB2 ASN A 675 11.795 7.098 53.219 1.00 17.07 H new ATOM 0 HB3 ASN A 675 10.943 6.313 52.175 1.00 17.07 H new ATOM 0 HD21 ASN A 675 13.742 4.334 52.944 1.00 20.05 H new ATOM 0 HD22 ASN A 675 12.605 4.903 53.719 1.00 20.05 H new ATOM 58 N VAL A 676 10.108 9.328 52.438 1.00 15.21 N ATOM 59 CA VAL A 676 8.795 9.950 52.557 1.00 14.37 C ATOM 60 C VAL A 676 8.572 11.024 51.502 1.00 13.89 C ATOM 61 O VAL A 676 7.530 11.050 50.843 1.00 14.36 O ATOM 62 CB VAL A 676 8.590 10.581 53.956 1.00 13.62 C ATOM 63 CG1 VAL A 676 7.230 11.273 54.023 1.00 15.15 C ATOM 64 CG2 VAL A 676 8.686 9.510 55.032 1.00 15.45 C ATOM 0 H VAL A 676 10.633 9.461 53.106 1.00 15.21 H new ATOM 0 HA VAL A 676 8.150 9.238 52.423 1.00 14.37 H new ATOM 0 HB VAL A 676 9.285 11.240 54.108 1.00 13.62 H new ATOM 0 HG11 VAL A 676 7.109 11.665 54.902 1.00 15.15 H new ATOM 0 HG12 VAL A 676 7.188 11.970 53.350 1.00 15.15 H new ATOM 0 HG13 VAL A 676 6.528 10.624 53.860 1.00 15.15 H new ATOM 0 HG21 VAL A 676 8.556 9.915 55.904 1.00 15.45 H new ATOM 0 HG22 VAL A 676 8.002 8.839 54.883 1.00 15.45 H new ATOM 0 HG23 VAL A 676 9.561 9.093 54.996 1.00 15.45 H new ATOM 65 N LEU A 677 9.543 11.917 51.333 1.00 13.63 N ATOM 66 CA LEU A 677 9.383 12.986 50.352 1.00 13.66 C ATOM 67 C LEU A 677 9.146 12.453 48.941 1.00 14.41 C ATOM 68 O LEU A 677 8.345 13.009 48.194 1.00 14.97 O ATOM 69 CB LEU A 677 10.599 13.921 50.362 1.00 14.75 C ATOM 70 CG LEU A 677 10.831 14.720 51.649 1.00 14.69 C ATOM 71 CD1 LEU A 677 11.839 15.837 51.369 1.00 17.34 C ATOM 72 CD2 LEU A 677 9.516 15.318 52.138 1.00 16.73 C ATOM 0 H LEU A 677 10.286 11.923 51.765 1.00 13.63 H new ATOM 0 HA LEU A 677 8.593 13.485 50.612 1.00 13.66 H new ATOM 0 HB2 LEU A 677 11.392 13.391 50.186 1.00 14.75 H new ATOM 0 HB3 LEU A 677 10.507 14.547 49.627 1.00 14.75 H new ATOM 0 HG LEU A 677 11.179 14.131 52.337 1.00 14.69 H new ATOM 0 HD11 LEU A 677 11.991 16.347 52.180 1.00 17.34 H new ATOM 0 HD12 LEU A 677 12.677 15.450 51.070 1.00 17.34 H new ATOM 0 HD13 LEU A 677 11.490 16.423 50.680 1.00 17.34 H new ATOM 0 HD21 LEU A 677 9.672 15.821 52.952 1.00 16.73 H new ATOM 0 HD22 LEU A 677 9.156 15.908 51.458 1.00 16.73 H new ATOM 0 HD23 LEU A 677 8.882 14.605 52.316 1.00 16.73 H new ATOM 73 N GLU A 678 9.838 11.377 48.575 1.00 15.07 N ATOM 74 CA GLU A 678 9.664 10.799 47.251 1.00 15.77 C ATOM 75 C GLU A 678 8.284 10.168 47.150 1.00 16.23 C ATOM 76 O GLU A 678 7.596 10.305 46.137 1.00 18.29 O ATOM 77 CB GLU A 678 10.741 9.737 46.989 1.00 18.55 C ATOM 78 CG GLU A 678 10.540 8.935 45.705 1.00 25.36 C ATOM 79 CD GLU A 678 11.761 8.105 45.328 1.00 31.57 C ATOM 80 OE1 GLU A 678 11.669 7.305 44.371 1.00 35.26 O ATOM 81 OE2 GLU A 678 12.816 8.254 45.983 1.00 36.08 O ATOM 0 H GLU A 678 10.408 10.971 49.075 1.00 15.07 H new ATOM 0 HA GLU A 678 9.749 11.500 46.586 1.00 15.77 H new ATOM 0 HB2 GLU A 678 11.607 10.173 46.953 1.00 18.55 H new ATOM 0 HB3 GLU A 678 10.764 9.123 47.740 1.00 18.55 H new ATOM 0 HG2 GLU A 678 9.776 8.347 45.812 1.00 25.36 H new ATOM 0 HG3 GLU A 678 10.331 9.543 44.979 1.00 25.36 H new ATOM 82 N ALA A 679 7.877 9.488 48.217 1.00 15.81 N ATOM 83 CA ALA A 679 6.589 8.806 48.238 1.00 15.74 C ATOM 84 C ALA A 679 5.383 9.733 48.131 1.00 16.64 C ATOM 85 O ALA A 679 4.390 9.379 47.494 1.00 18.05 O ATOM 86 CB ALA A 679 6.478 7.951 49.500 1.00 15.90 C ATOM 0 H ALA A 679 8.334 9.410 48.941 1.00 15.81 H new ATOM 0 HA ALA A 679 6.567 8.252 47.442 1.00 15.74 H new ATOM 0 HB1 ALA A 679 5.620 7.499 49.510 1.00 15.90 H new ATOM 0 HB2 ALA A 679 7.190 7.292 49.509 1.00 15.90 H new ATOM 0 HB3 ALA A 679 6.554 8.518 50.283 1.00 15.90 H new ATOM 87 N ILE A 680 5.463 10.916 48.737 1.00 15.83 N ATOM 88 CA ILE A 680 4.325 11.842 48.713 1.00 16.04 C ATOM 89 C ILE A 680 4.303 12.852 47.570 1.00 15.04 C ATOM 90 O ILE A 680 3.324 13.586 47.413 1.00 16.60 O ATOM 91 CB ILE A 680 4.211 12.637 50.042 1.00 14.69 C ATOM 92 CG1 ILE A 680 5.417 13.569 50.219 1.00 14.28 C ATOM 93 CG2 ILE A 680 4.097 11.672 51.215 1.00 16.11 C ATOM 94 CD1 ILE A 680 5.270 14.537 51.391 1.00 15.28 C ATOM 0 H ILE A 680 6.154 11.201 49.162 1.00 15.83 H new ATOM 0 HA ILE A 680 3.571 11.247 48.578 1.00 16.04 H new ATOM 0 HB ILE A 680 3.411 13.185 50.012 1.00 14.69 H new ATOM 0 HG12 ILE A 680 6.215 13.033 50.349 1.00 14.28 H new ATOM 0 HG13 ILE A 680 5.547 14.077 49.403 1.00 14.28 H new ATOM 0 HG21 ILE A 680 4.026 12.174 52.042 1.00 16.11 H new ATOM 0 HG22 ILE A 680 3.307 11.119 51.104 1.00 16.11 H new ATOM 0 HG23 ILE A 680 4.885 11.107 51.247 1.00 16.11 H new ATOM 0 HD11 ILE A 680 6.060 15.096 51.450 1.00 15.28 H new ATOM 0 HD12 ILE A 680 4.489 15.095 51.254 1.00 15.28 H new ATOM 0 HD13 ILE A 680 5.167 14.035 52.215 1.00 15.28 H new ATOM 95 N GLU A 681 5.365 12.887 46.771 1.00 15.80 N ATOM 96 CA GLU A 681 5.458 13.831 45.659 1.00 17.29 C ATOM 97 C GLU A 681 4.274 13.694 44.700 1.00 17.83 C ATOM 98 O GLU A 681 4.015 12.614 44.162 1.00 18.01 O ATOM 99 CB GLU A 681 6.770 13.614 44.904 1.00 18.26 C ATOM 100 CG GLU A 681 7.020 14.601 43.766 1.00 18.18 C ATOM 101 CD GLU A 681 7.249 16.032 44.231 1.00 20.17 C ATOM 102 OE1 GLU A 681 7.542 16.885 43.366 1.00 23.38 O ATOM 103 OE2 GLU A 681 7.141 16.315 45.443 1.00 18.93 O ATOM 0 H GLU A 681 6.047 12.370 46.856 1.00 15.80 H new ATOM 0 HA GLU A 681 5.437 14.728 46.027 1.00 17.29 H new ATOM 0 HB2 GLU A 681 7.505 13.672 45.534 1.00 18.26 H new ATOM 0 HB3 GLU A 681 6.776 12.714 44.543 1.00 18.26 H new ATOM 0 HG2 GLU A 681 7.793 14.307 43.259 1.00 18.18 H new ATOM 0 HG3 GLU A 681 6.261 14.584 43.162 1.00 18.18 H new ATOM 104 N PRO A 682 3.544 14.796 44.463 1.00 19.09 N ATOM 105 CA PRO A 682 2.390 14.751 43.563 1.00 20.57 C ATOM 106 C PRO A 682 2.736 14.336 42.141 1.00 21.09 C ATOM 107 O PRO A 682 3.847 14.574 41.662 1.00 21.11 O ATOM 108 CB PRO A 682 1.854 16.179 43.615 1.00 20.85 C ATOM 109 CG PRO A 682 2.268 16.650 44.971 1.00 20.93 C ATOM 110 CD PRO A 682 3.680 16.136 45.059 1.00 19.19 C ATOM 0 HA PRO A 682 1.747 14.080 43.840 1.00 20.57 H new ATOM 0 HB2 PRO A 682 2.234 16.730 42.913 1.00 20.85 H new ATOM 0 HB3 PRO A 682 0.891 16.204 43.506 1.00 20.85 H new ATOM 0 HG2 PRO A 682 2.227 17.616 45.049 1.00 20.93 H new ATOM 0 HG3 PRO A 682 1.704 16.285 45.671 1.00 20.93 H new ATOM 0 HD2 PRO A 682 4.302 16.693 44.566 1.00 19.19 H new ATOM 0 HD3 PRO A 682 3.998 16.097 45.975 1.00 19.19 H new ATOM 111 N GLY A 683 1.769 13.717 41.476 1.00 20.90 N ATOM 112 CA GLY A 683 1.962 13.299 40.105 1.00 22.24 C ATOM 113 C GLY A 683 1.641 14.443 39.163 1.00 21.89 C ATOM 114 O GLY A 683 1.576 15.603 39.576 1.00 22.05 O ATOM 0 H GLY A 683 0.996 13.532 41.804 1.00 20.90 H new ATOM 0 HA2 GLY A 683 2.878 13.009 39.973 1.00 22.24 H new ATOM 0 HA3 GLY A 683 1.393 12.539 39.908 1.00 22.24 H new ATOM 115 N VAL A 684 1.421 14.108 37.899 1.00 21.44 N ATOM 116 CA VAL A 684 1.119 15.092 36.871 1.00 20.90 C ATOM 117 C VAL A 684 -0.258 15.735 37.017 1.00 19.51 C ATOM 118 O VAL A 684 -1.250 15.054 37.280 1.00 20.88 O ATOM 119 CB VAL A 684 1.217 14.450 35.468 1.00 21.24 C ATOM 120 CG1 VAL A 684 0.837 15.465 34.399 1.00 23.47 C ATOM 121 CG2 VAL A 684 2.631 13.932 35.234 1.00 25.39 C ATOM 0 H VAL A 684 1.443 13.298 37.612 1.00 21.44 H new ATOM 0 HA VAL A 684 1.779 15.794 36.981 1.00 20.90 H new ATOM 0 HB VAL A 684 0.599 13.704 35.416 1.00 21.24 H new ATOM 0 HG11 VAL A 684 0.902 15.053 33.523 1.00 23.47 H new ATOM 0 HG12 VAL A 684 -0.073 15.766 34.548 1.00 23.47 H new ATOM 0 HG13 VAL A 684 1.440 16.224 34.444 1.00 23.47 H new ATOM 0 HG21 VAL A 684 2.687 13.530 34.353 1.00 25.39 H new ATOM 0 HG22 VAL A 684 3.260 14.668 35.294 1.00 25.39 H new ATOM 0 HG23 VAL A 684 2.848 13.267 35.906 1.00 25.39 H new ATOM 122 N VAL A 685 -0.305 17.053 36.847 1.00 16.71 N ATOM 123 CA VAL A 685 -1.556 17.798 36.935 1.00 16.31 C ATOM 124 C VAL A 685 -1.765 18.563 35.628 1.00 15.92 C ATOM 125 O VAL A 685 -0.903 19.317 35.195 1.00 16.43 O ATOM 126 CB VAL A 685 -1.534 18.796 38.113 1.00 15.77 C ATOM 127 CG1 VAL A 685 -2.861 19.544 38.190 1.00 17.00 C ATOM 128 CG2 VAL A 685 -1.262 18.055 39.410 1.00 18.96 C ATOM 0 H VAL A 685 0.384 17.538 36.678 1.00 16.71 H new ATOM 0 HA VAL A 685 -2.281 17.171 37.085 1.00 16.31 H new ATOM 0 HB VAL A 685 -0.826 19.443 37.971 1.00 15.77 H new ATOM 0 HG11 VAL A 685 -2.838 20.168 38.932 1.00 17.00 H new ATOM 0 HG12 VAL A 685 -3.007 20.030 37.363 1.00 17.00 H new ATOM 0 HG13 VAL A 685 -3.583 18.910 38.323 1.00 17.00 H new ATOM 0 HG21 VAL A 685 -1.249 18.686 40.147 1.00 18.96 H new ATOM 0 HG22 VAL A 685 -1.959 17.398 39.560 1.00 18.96 H new ATOM 0 HG23 VAL A 685 -0.403 17.607 39.353 1.00 18.96 H new ATOM 129 N CYS A 686 -2.912 18.350 34.994 1.00 17.71 N ATOM 130 CA CYS A 686 -3.215 19.027 33.740 1.00 18.37 C ATOM 131 C CYS A 686 -4.064 20.267 33.982 1.00 17.38 C ATOM 132 O CYS A 686 -4.827 20.326 34.947 1.00 17.79 O ATOM 133 CB CYS A 686 -3.933 18.070 32.792 1.00 19.36 C ATOM 134 SG CYS A 686 -2.912 16.653 32.341 1.00 24.82 S ATOM 0 H CYS A 686 -3.527 17.818 35.273 1.00 17.71 H new ATOM 0 HA CYS A 686 -2.380 19.309 33.334 1.00 18.37 H new ATOM 0 HB2 CYS A 686 -4.750 17.757 33.211 1.00 19.36 H new ATOM 0 HB3 CYS A 686 -4.191 18.548 31.988 1.00 19.36 H new ATOM 0 HG CYS A 686 -2.602 16.735 31.185 1.00 24.82 H new ATOM 135 N ALA A 687 -3.934 21.246 33.091 1.00 17.10 N ATOM 136 CA ALA A 687 -4.656 22.508 33.205 1.00 18.44 C ATOM 137 C ALA A 687 -6.034 22.515 32.556 1.00 18.17 C ATOM 138 O ALA A 687 -6.902 23.297 32.949 1.00 20.26 O ATOM 139 CB ALA A 687 -3.812 23.635 32.612 1.00 16.87 C ATOM 0 H ALA A 687 -3.423 21.196 32.401 1.00 17.10 H new ATOM 0 HA ALA A 687 -4.808 22.639 34.154 1.00 18.44 H new ATOM 0 HB1 ALA A 687 -4.293 24.474 32.688 1.00 16.87 H new ATOM 0 HB2 ALA A 687 -2.973 23.699 33.094 1.00 16.87 H new ATOM 0 HB3 ALA A 687 -3.634 23.449 31.677 1.00 16.87 H new ATOM 140 N GLY A 688 -6.225 21.666 31.552 1.00 18.78 N ATOM 141 CA GLY A 688 -7.497 21.613 30.851 1.00 18.81 C ATOM 142 C GLY A 688 -7.594 22.655 29.749 1.00 19.18 C ATOM 143 O GLY A 688 -8.681 22.927 29.236 1.00 19.91 O ATOM 0 H GLY A 688 -5.631 21.115 31.263 1.00 18.78 H new ATOM 0 HA2 GLY A 688 -7.616 20.729 30.469 1.00 18.81 H new ATOM 0 HA3 GLY A 688 -8.219 21.748 31.485 1.00 18.81 H new ATOM 144 N HIS A 689 -6.454 23.229 29.376 1.00 17.88 N ATOM 145 CA HIS A 689 -6.384 24.268 28.348 1.00 17.99 C ATOM 146 C HIS A 689 -6.668 23.761 26.938 1.00 17.76 C ATOM 147 O HIS A 689 -6.275 22.651 26.576 1.00 18.97 O ATOM 148 CB HIS A 689 -4.996 24.917 28.368 1.00 17.13 C ATOM 149 CG HIS A 689 -4.859 26.087 27.445 1.00 17.69 C ATOM 150 ND1 HIS A 689 -5.497 27.288 27.666 1.00 17.69 N ATOM 151 CD2 HIS A 689 -4.157 26.239 26.297 1.00 17.81 C ATOM 152 CE1 HIS A 689 -5.195 28.130 26.692 1.00 19.19 C ATOM 153 NE2 HIS A 689 -4.383 27.517 25.849 1.00 19.71 N ATOM 0 H HIS A 689 -5.690 23.025 29.715 1.00 17.88 H new ATOM 0 HA HIS A 689 -7.079 24.909 28.564 1.00 17.99 H new ATOM 0 HB2 HIS A 689 -4.797 25.205 29.273 1.00 17.13 H new ATOM 0 HB3 HIS A 689 -4.333 24.250 28.130 1.00 17.13 H new ATOM 0 HD1 HIS A 689 -6.011 27.463 28.333 1.00 17.69 H new ATOM 0 HD2 HIS A 689 -3.622 25.598 25.888 1.00 17.81 H new ATOM 0 HE1 HIS A 689 -5.502 29.004 26.614 1.00 19.19 H new ATOM 154 N ASP A 690 -7.350 24.580 26.142 1.00 17.38 N ATOM 155 CA ASP A 690 -7.655 24.209 24.765 1.00 17.27 C ATOM 156 C ASP A 690 -6.549 24.747 23.867 1.00 17.01 C ATOM 157 O ASP A 690 -6.548 25.922 23.492 1.00 17.78 O ATOM 158 CB ASP A 690 -9.000 24.791 24.330 1.00 16.34 C ATOM 159 CG ASP A 690 -9.381 24.379 22.921 1.00 18.63 C ATOM 160 OD1 ASP A 690 -8.548 23.751 22.229 1.00 17.96 O ATOM 161 OD2 ASP A 690 -10.517 24.686 22.504 1.00 20.07 O ATOM 0 H ASP A 690 -7.644 25.352 26.380 1.00 17.38 H new ATOM 0 HA ASP A 690 -7.709 23.243 24.697 1.00 17.27 H new ATOM 0 HB2 ASP A 690 -9.690 24.500 24.947 1.00 16.34 H new ATOM 0 HB3 ASP A 690 -8.963 25.759 24.382 1.00 16.34 H new ATOM 162 N ASN A 691 -5.613 23.874 23.519 1.00 17.81 N ATOM 163 CA ASN A 691 -4.489 24.254 22.680 1.00 18.58 C ATOM 164 C ASN A 691 -4.835 24.359 21.197 1.00 21.78 C ATOM 165 O ASN A 691 -3.988 24.717 20.377 1.00 22.69 O ATOM 166 CB ASN A 691 -3.340 23.269 22.902 1.00 18.32 C ATOM 167 CG ASN A 691 -2.645 23.490 24.236 1.00 18.13 C ATOM 168 OD1 ASN A 691 -1.925 24.475 24.414 1.00 20.21 O ATOM 169 ND2 ASN A 691 -2.872 22.589 25.184 1.00 19.85 N ATOM 0 H ASN A 691 -5.612 23.049 23.762 1.00 17.81 H new ATOM 0 HA ASN A 691 -4.223 25.148 22.946 1.00 18.58 H new ATOM 0 HB2 ASN A 691 -3.681 22.362 22.863 1.00 18.32 H new ATOM 0 HB3 ASN A 691 -2.695 23.360 22.184 1.00 18.32 H new ATOM 0 HD21 ASN A 691 -2.511 22.680 25.959 1.00 19.85 H new ATOM 0 HD22 ASN A 691 -3.380 21.914 25.023 1.00 19.85 H new ATOM 170 N ASN A 692 -6.083 24.062 20.856 1.00 21.57 N ATOM 171 CA ASN A 692 -6.525 24.141 19.467 1.00 24.16 C ATOM 172 C ASN A 692 -6.975 25.554 19.094 1.00 25.53 C ATOM 173 O ASN A 692 -7.075 25.897 17.914 1.00 28.05 O ATOM 174 CB ASN A 692 -7.661 23.148 19.236 1.00 25.82 C ATOM 175 CG ASN A 692 -7.235 21.721 19.494 1.00 25.18 C ATOM 176 OD1 ASN A 692 -6.552 21.106 18.675 1.00 28.49 O ATOM 177 ND2 ASN A 692 -7.622 21.189 20.647 1.00 28.21 N ATOM 0 H ASN A 692 -6.690 23.813 21.412 1.00 21.57 H new ATOM 0 HA ASN A 692 -5.772 23.917 18.898 1.00 24.16 H new ATOM 0 HB2 ASN A 692 -8.406 23.371 19.816 1.00 25.82 H new ATOM 0 HB3 ASN A 692 -7.978 23.229 18.323 1.00 25.82 H new ATOM 0 HD21 ASN A 692 -7.396 20.384 20.846 1.00 28.21 H new ATOM 0 HD22 ASN A 692 -8.099 21.650 21.195 1.00 28.21 H new ATOM 178 N GLN A 693 -7.244 26.371 20.105 1.00 25.78 N ATOM 179 CA GLN A 693 -7.673 27.750 19.887 1.00 27.00 C ATOM 180 C GLN A 693 -6.448 28.652 19.806 1.00 26.77 C ATOM 181 O GLN A 693 -5.418 28.367 20.417 1.00 25.76 O ATOM 182 CB GLN A 693 -8.545 28.236 21.051 1.00 28.59 C ATOM 183 CG GLN A 693 -9.938 27.638 21.137 1.00 31.73 C ATOM 184 CD GLN A 693 -10.825 28.057 19.981 1.00 35.01 C ATOM 185 OE1 GLN A 693 -10.837 29.222 19.583 1.00 35.90 O ATOM 186 NE2 GLN A 693 -11.586 27.110 19.448 1.00 35.64 N ATOM 0 H GLN A 693 -7.184 26.145 20.933 1.00 25.78 H new ATOM 0 HA GLN A 693 -8.183 27.784 19.063 1.00 27.00 H new ATOM 0 HB2 GLN A 693 -8.080 28.047 21.881 1.00 28.59 H new ATOM 0 HB3 GLN A 693 -8.630 29.200 20.987 1.00 28.59 H new ATOM 0 HG2 GLN A 693 -9.870 26.671 21.154 1.00 31.73 H new ATOM 0 HG3 GLN A 693 -10.351 27.908 21.972 1.00 31.73 H new ATOM 0 HE21 GLN A 693 -11.550 26.307 19.753 1.00 35.64 H new ATOM 0 HE22 GLN A 693 -12.115 27.299 18.797 1.00 35.64 H new ATOM 187 N PRO A 694 -6.531 29.741 19.029 1.00 25.50 N ATOM 188 CA PRO A 694 -5.372 30.634 18.947 1.00 25.69 C ATOM 189 C PRO A 694 -5.168 31.211 20.347 1.00 24.69 C ATOM 190 O PRO A 694 -6.136 31.388 21.086 1.00 26.06 O ATOM 191 CB PRO A 694 -5.829 31.692 17.947 1.00 26.41 C ATOM 192 CG PRO A 694 -6.712 30.900 17.020 1.00 26.59 C ATOM 193 CD PRO A 694 -7.527 30.071 17.994 1.00 27.14 C ATOM 0 HA PRO A 694 -4.535 30.230 18.670 1.00 25.69 H new ATOM 0 HB2 PRO A 694 -6.313 32.413 18.379 1.00 26.41 H new ATOM 0 HB3 PRO A 694 -5.081 32.094 17.478 1.00 26.41 H new ATOM 0 HG2 PRO A 694 -7.272 31.473 16.474 1.00 26.59 H new ATOM 0 HG3 PRO A 694 -6.197 30.345 16.413 1.00 26.59 H new ATOM 0 HD2 PRO A 694 -8.275 30.570 18.357 1.00 27.14 H new ATOM 0 HD3 PRO A 694 -7.892 29.276 17.576 1.00 27.14 H new ATOM 194 N ASP A 695 -3.925 31.502 20.716 1.00 22.78 N ATOM 195 CA ASP A 695 -3.646 32.044 22.043 1.00 23.12 C ATOM 196 C ASP A 695 -4.294 33.398 22.292 1.00 22.94 C ATOM 197 O ASP A 695 -4.364 34.243 21.402 1.00 21.75 O ATOM 198 CB ASP A 695 -2.139 32.194 22.275 1.00 24.19 C ATOM 199 CG ASP A 695 -1.402 30.876 22.238 1.00 25.27 C ATOM 200 OD1 ASP A 695 -1.962 29.861 22.697 1.00 27.45 O ATOM 201 OD2 ASP A 695 -0.249 30.866 21.761 1.00 28.71 O ATOM 0 H ASP A 695 -3.233 31.394 20.217 1.00 22.78 H new ATOM 0 HA ASP A 695 -4.028 31.402 22.661 1.00 23.12 H new ATOM 0 HB2 ASP A 695 -1.770 32.784 21.599 1.00 24.19 H new ATOM 0 HB3 ASP A 695 -1.990 32.618 23.134 1.00 24.19 H new ATOM 202 N SER A 696 -4.763 33.591 23.518 1.00 22.11 N ATOM 203 CA SER A 696 -5.372 34.848 23.923 1.00 21.96 C ATOM 204 C SER A 696 -5.051 35.044 25.397 1.00 20.42 C ATOM 205 O SER A 696 -4.894 34.073 26.143 1.00 20.05 O ATOM 206 CB SER A 696 -6.892 34.821 23.722 1.00 23.11 C ATOM 207 OG SER A 696 -7.540 34.037 24.707 1.00 25.43 O ATOM 0 H SER A 696 -4.737 32.996 24.138 1.00 22.11 H new ATOM 0 HA SER A 696 -5.023 35.575 23.383 1.00 21.96 H new ATOM 0 HB2 SER A 696 -7.238 35.727 23.751 1.00 23.11 H new ATOM 0 HB3 SER A 696 -7.095 34.467 22.842 1.00 23.11 H new ATOM 0 HG SER A 696 -8.369 34.044 24.570 1.00 25.43 H new ATOM 208 N PHE A 697 -4.942 36.299 25.814 1.00 19.01 N ATOM 209 CA PHE A 697 -4.638 36.610 27.203 1.00 18.63 C ATOM 210 C PHE A 697 -5.662 35.996 28.151 1.00 19.25 C ATOM 211 O PHE A 697 -5.304 35.346 29.130 1.00 17.73 O ATOM 212 CB PHE A 697 -4.607 38.126 27.407 1.00 19.00 C ATOM 213 CG PHE A 697 -4.522 38.539 28.844 1.00 18.70 C ATOM 214 CD1 PHE A 697 -3.350 38.352 29.571 1.00 19.48 C ATOM 215 CD2 PHE A 697 -5.622 39.103 29.480 1.00 20.48 C ATOM 216 CE1 PHE A 697 -3.276 38.723 30.911 1.00 19.91 C ATOM 217 CE2 PHE A 697 -5.558 39.476 30.818 1.00 21.94 C ATOM 218 CZ PHE A 697 -4.383 39.286 31.535 1.00 21.34 C ATOM 0 H PHE A 697 -5.041 36.986 25.307 1.00 19.01 H new ATOM 0 HA PHE A 697 -3.768 36.231 27.404 1.00 18.63 H new ATOM 0 HB2 PHE A 697 -3.848 38.493 26.928 1.00 19.00 H new ATOM 0 HB3 PHE A 697 -5.405 38.513 27.014 1.00 19.00 H new ATOM 0 HD1 PHE A 697 -2.608 37.975 29.157 1.00 19.48 H new ATOM 0 HD2 PHE A 697 -6.411 39.232 29.005 1.00 20.48 H new ATOM 0 HE1 PHE A 697 -2.488 38.594 31.387 1.00 19.91 H new ATOM 0 HE2 PHE A 697 -6.301 39.852 31.232 1.00 21.94 H new ATOM 0 HZ PHE A 697 -4.337 39.535 32.430 1.00 21.34 H new ATOM 219 N ALA A 698 -6.942 36.199 27.855 1.00 18.72 N ATOM 220 CA ALA A 698 -8.002 35.683 28.709 1.00 18.61 C ATOM 221 C ALA A 698 -7.972 34.170 28.879 1.00 17.16 C ATOM 222 O ALA A 698 -8.116 33.663 29.989 1.00 17.11 O ATOM 223 CB ALA A 698 -9.361 36.112 28.171 1.00 19.98 C ATOM 0 H ALA A 698 -7.216 36.633 27.165 1.00 18.72 H new ATOM 0 HA ALA A 698 -7.849 36.063 29.588 1.00 18.61 H new ATOM 0 HB1 ALA A 698 -10.061 35.764 28.745 1.00 19.98 H new ATOM 0 HB2 ALA A 698 -9.411 37.081 28.152 1.00 19.98 H new ATOM 0 HB3 ALA A 698 -9.478 35.765 27.273 1.00 19.98 H new ATOM 224 N ALA A 699 -7.786 33.445 27.780 1.00 16.84 N ATOM 225 CA ALA A 699 -7.768 31.993 27.852 1.00 16.49 C ATOM 226 C ALA A 699 -6.540 31.461 28.584 1.00 15.46 C ATOM 227 O ALA A 699 -6.646 30.529 29.384 1.00 15.97 O ATOM 228 CB ALA A 699 -7.848 31.398 26.451 1.00 18.19 C ATOM 0 H ALA A 699 -7.670 33.772 26.993 1.00 16.84 H new ATOM 0 HA ALA A 699 -8.545 31.721 28.365 1.00 16.49 H new ATOM 0 HB1 ALA A 699 -7.835 30.430 26.509 1.00 18.19 H new ATOM 0 HB2 ALA A 699 -8.670 31.685 26.024 1.00 18.19 H new ATOM 0 HB3 ALA A 699 -7.089 31.700 25.927 1.00 18.19 H new ATOM 229 N LEU A 700 -5.380 32.046 28.306 1.00 15.56 N ATOM 230 CA LEU A 700 -4.149 31.612 28.959 1.00 15.25 C ATOM 231 C LEU A 700 -4.200 31.840 30.466 1.00 14.66 C ATOM 232 O LEU A 700 -3.845 30.949 31.237 1.00 14.45 O ATOM 233 CB LEU A 700 -2.936 32.336 28.362 1.00 15.72 C ATOM 234 CG LEU A 700 -2.523 31.912 26.944 1.00 16.04 C ATOM 235 CD1 LEU A 700 -1.413 32.825 26.446 1.00 18.70 C ATOM 236 CD2 LEU A 700 -2.063 30.457 26.939 1.00 18.10 C ATOM 0 H LEU A 700 -5.283 32.692 27.746 1.00 15.56 H new ATOM 0 HA LEU A 700 -4.060 30.659 28.802 1.00 15.25 H new ATOM 0 HB2 LEU A 700 -3.123 33.288 28.353 1.00 15.72 H new ATOM 0 HB3 LEU A 700 -2.179 32.201 28.953 1.00 15.72 H new ATOM 0 HG LEU A 700 -3.287 31.989 26.351 1.00 16.04 H new ATOM 0 HD11 LEU A 700 -1.151 32.558 25.551 1.00 18.70 H new ATOM 0 HD12 LEU A 700 -1.730 33.741 26.430 1.00 18.70 H new ATOM 0 HD13 LEU A 700 -0.648 32.758 27.039 1.00 18.70 H new ATOM 0 HD21 LEU A 700 -1.805 30.202 26.039 1.00 18.10 H new ATOM 0 HD22 LEU A 700 -1.303 30.356 27.533 1.00 18.10 H new ATOM 0 HD23 LEU A 700 -2.788 29.887 27.241 1.00 18.10 H new ATOM 237 N LEU A 701 -4.637 33.022 30.894 1.00 15.56 N ATOM 238 CA LEU A 701 -4.702 33.294 32.326 1.00 14.56 C ATOM 239 C LEU A 701 -5.818 32.499 33.004 1.00 15.43 C ATOM 240 O LEU A 701 -5.667 32.046 34.141 1.00 14.46 O ATOM 241 CB LEU A 701 -4.855 34.797 32.587 1.00 14.83 C ATOM 242 CG LEU A 701 -3.529 35.560 32.724 1.00 14.88 C ATOM 243 CD1 LEU A 701 -2.809 35.097 33.992 1.00 16.28 C ATOM 244 CD2 LEU A 701 -2.653 35.331 31.495 1.00 17.02 C ATOM 0 H LEU A 701 -4.895 33.666 30.385 1.00 15.56 H new ATOM 0 HA LEU A 701 -3.864 33.002 32.718 1.00 14.56 H new ATOM 0 HB2 LEU A 701 -5.367 35.189 31.862 1.00 14.83 H new ATOM 0 HB3 LEU A 701 -5.372 34.922 33.398 1.00 14.83 H new ATOM 0 HG LEU A 701 -3.710 36.511 32.790 1.00 14.88 H new ATOM 0 HD11 LEU A 701 -1.971 35.577 34.082 1.00 16.28 H new ATOM 0 HD12 LEU A 701 -3.368 35.275 34.765 1.00 16.28 H new ATOM 0 HD13 LEU A 701 -2.632 34.145 33.934 1.00 16.28 H new ATOM 0 HD21 LEU A 701 -1.820 35.818 31.596 1.00 17.02 H new ATOM 0 HD22 LEU A 701 -2.464 34.384 31.404 1.00 17.02 H new ATOM 0 HD23 LEU A 701 -3.117 35.645 30.703 1.00 17.02 H new ATOM 245 N SER A 702 -6.941 32.306 32.317 1.00 15.59 N ATOM 246 CA SER A 702 -8.009 31.520 32.921 1.00 15.68 C ATOM 247 C SER A 702 -7.521 30.089 33.145 1.00 15.20 C ATOM 248 O SER A 702 -7.858 29.466 34.151 1.00 16.24 O ATOM 249 CB SER A 702 -9.252 31.519 32.031 1.00 16.30 C ATOM 250 OG SER A 702 -9.838 32.810 32.003 1.00 17.70 O ATOM 0 H SER A 702 -7.101 32.610 31.528 1.00 15.59 H new ATOM 0 HA SER A 702 -8.249 31.918 33.772 1.00 15.68 H new ATOM 0 HB2 SER A 702 -9.013 31.246 31.131 1.00 16.30 H new ATOM 0 HB3 SER A 702 -9.894 30.872 32.363 1.00 16.30 H new ATOM 0 HG SER A 702 -9.459 33.277 31.416 1.00 17.70 H new ATOM 251 N SER A 703 -6.718 29.573 32.213 1.00 14.78 N ATOM 252 CA SER A 703 -6.191 28.222 32.353 1.00 14.39 C ATOM 253 C SER A 703 -5.137 28.164 33.455 1.00 13.40 C ATOM 254 O SER A 703 -5.065 27.183 34.186 1.00 15.35 O ATOM 255 CB SER A 703 -5.598 27.726 31.035 1.00 15.99 C ATOM 256 OG SER A 703 -6.632 27.465 30.096 1.00 18.13 O ATOM 0 H SER A 703 -6.470 29.986 31.501 1.00 14.78 H new ATOM 0 HA SER A 703 -6.929 27.641 32.596 1.00 14.39 H new ATOM 0 HB2 SER A 703 -4.988 28.390 30.677 1.00 15.99 H new ATOM 0 HB3 SER A 703 -5.081 26.920 31.189 1.00 15.99 H new ATOM 0 HG SER A 703 -7.146 26.875 30.402 1.00 18.13 H new ATOM 257 N LEU A 704 -4.316 29.202 33.573 1.00 13.48 N ATOM 258 CA LEU A 704 -3.323 29.206 34.644 1.00 13.25 C ATOM 259 C LEU A 704 -4.046 29.228 35.994 1.00 13.99 C ATOM 260 O LEU A 704 -3.617 28.567 36.934 1.00 13.74 O ATOM 261 CB LEU A 704 -2.384 30.413 34.525 1.00 13.29 C ATOM 262 CG LEU A 704 -1.265 30.292 33.478 1.00 13.70 C ATOM 263 CD1 LEU A 704 -0.617 31.647 33.259 1.00 14.91 C ATOM 264 CD2 LEU A 704 -0.223 29.265 33.932 1.00 15.39 C ATOM 0 H LEU A 704 -4.314 29.894 33.062 1.00 13.48 H new ATOM 0 HA LEU A 704 -2.781 28.405 34.573 1.00 13.25 H new ATOM 0 HB2 LEU A 704 -2.917 31.196 34.315 1.00 13.29 H new ATOM 0 HB3 LEU A 704 -1.977 30.571 35.391 1.00 13.29 H new ATOM 0 HG LEU A 704 -1.647 29.989 32.639 1.00 13.70 H new ATOM 0 HD11 LEU A 704 0.088 31.566 32.598 1.00 14.91 H new ATOM 0 HD12 LEU A 704 -1.284 32.278 32.944 1.00 14.91 H new ATOM 0 HD13 LEU A 704 -0.241 31.965 34.095 1.00 14.91 H new ATOM 0 HD21 LEU A 704 0.477 29.197 33.264 1.00 15.39 H new ATOM 0 HD22 LEU A 704 0.162 29.546 34.777 1.00 15.39 H new ATOM 0 HD23 LEU A 704 -0.648 28.400 34.043 1.00 15.39 H new ATOM 265 N ASN A 705 -5.147 29.977 36.087 1.00 13.88 N ATOM 266 CA ASN A 705 -5.913 30.036 37.333 1.00 14.79 C ATOM 267 C ASN A 705 -6.516 28.681 37.679 1.00 13.64 C ATOM 268 O ASN A 705 -6.502 28.271 38.836 1.00 15.20 O ATOM 269 CB ASN A 705 -7.036 31.077 37.247 1.00 16.25 C ATOM 270 CG ASN A 705 -6.519 32.501 37.289 1.00 17.07 C ATOM 271 OD1 ASN A 705 -5.425 32.764 37.788 1.00 16.95 O ATOM 272 ND2 ASN A 705 -7.318 33.436 36.784 1.00 17.04 N ATOM 0 H ASN A 705 -5.465 30.454 35.446 1.00 13.88 H new ATOM 0 HA ASN A 705 -5.292 30.294 38.032 1.00 14.79 H new ATOM 0 HB2 ASN A 705 -7.535 30.942 36.426 1.00 16.25 H new ATOM 0 HB3 ASN A 705 -7.655 30.940 37.981 1.00 16.25 H new ATOM 0 HD21 ASN A 705 -7.077 34.261 36.798 1.00 17.04 H new ATOM 0 HD22 ASN A 705 -8.076 33.215 36.443 1.00 17.04 H new ATOM 273 N GLU A 706 -7.058 27.994 36.677 1.00 14.64 N ATOM 274 CA GLU A 706 -7.642 26.675 36.893 1.00 14.79 C ATOM 275 C GLU A 706 -6.533 25.714 37.316 1.00 14.15 C ATOM 276 O GLU A 706 -6.724 24.887 38.205 1.00 15.92 O ATOM 277 CB GLU A 706 -8.316 26.185 35.608 1.00 16.92 C ATOM 278 CG GLU A 706 -8.865 24.762 35.655 1.00 19.85 C ATOM 279 CD GLU A 706 -9.905 24.553 36.739 1.00 21.79 C ATOM 280 OE1 GLU A 706 -10.653 25.505 37.048 1.00 25.33 O ATOM 281 OE2 GLU A 706 -9.987 23.426 37.273 1.00 22.86 O ATOM 0 H GLU A 706 -7.097 28.274 35.865 1.00 14.64 H new ATOM 0 HA GLU A 706 -8.315 26.719 37.590 1.00 14.79 H new ATOM 0 HB2 GLU A 706 -9.044 26.789 35.393 1.00 16.92 H new ATOM 0 HB3 GLU A 706 -7.675 26.244 34.882 1.00 16.92 H new ATOM 0 HG2 GLU A 706 -9.256 24.545 34.794 1.00 19.85 H new ATOM 0 HG3 GLU A 706 -8.131 24.144 35.797 1.00 19.85 H new ATOM 282 N LEU A 707 -5.366 25.837 36.685 1.00 14.60 N ATOM 283 CA LEU A 707 -4.240 24.978 37.032 1.00 14.99 C ATOM 284 C LEU A 707 -3.832 25.261 38.471 1.00 14.26 C ATOM 285 O LEU A 707 -3.486 24.344 39.212 1.00 14.78 O ATOM 286 CB LEU A 707 -3.046 25.232 36.103 1.00 13.91 C ATOM 287 CG LEU A 707 -1.793 24.409 36.435 1.00 13.72 C ATOM 288 CD1 LEU A 707 -2.069 22.920 36.219 1.00 15.97 C ATOM 289 CD2 LEU A 707 -0.641 24.857 35.549 1.00 15.77 C ATOM 0 H LEU A 707 -5.208 26.406 36.060 1.00 14.60 H new ATOM 0 HA LEU A 707 -4.510 24.052 36.932 1.00 14.99 H new ATOM 0 HB2 LEU A 707 -3.314 25.038 35.191 1.00 13.91 H new ATOM 0 HB3 LEU A 707 -2.819 26.174 36.138 1.00 13.91 H new ATOM 0 HG LEU A 707 -1.557 24.550 37.365 1.00 13.72 H new ATOM 0 HD11 LEU A 707 -1.272 22.409 36.431 1.00 15.97 H new ATOM 0 HD12 LEU A 707 -2.796 22.639 36.796 1.00 15.97 H new ATOM 0 HD13 LEU A 707 -2.314 22.767 35.293 1.00 15.97 H new ATOM 0 HD21 LEU A 707 0.150 24.337 35.759 1.00 15.77 H new ATOM 0 HD22 LEU A 707 -0.878 24.723 34.618 1.00 15.77 H new ATOM 0 HD23 LEU A 707 -0.460 25.797 35.704 1.00 15.77 H new ATOM 290 N GLY A 708 -3.872 26.534 38.861 1.00 14.38 N ATOM 291 CA GLY A 708 -3.517 26.897 40.222 1.00 15.10 C ATOM 292 C GLY A 708 -4.412 26.197 41.226 1.00 15.75 C ATOM 293 O GLY A 708 -3.942 25.656 42.228 1.00 16.36 O ATOM 0 H GLY A 708 -4.100 27.192 38.357 1.00 14.38 H new ATOM 0 HA2 GLY A 708 -2.591 26.662 40.391 1.00 15.10 H new ATOM 0 HA3 GLY A 708 -3.591 27.858 40.333 1.00 15.10 H new ATOM 294 N GLU A 709 -5.713 26.197 40.958 1.00 15.26 N ATOM 295 CA GLU A 709 -6.647 25.541 41.857 1.00 17.37 C ATOM 296 C GLU A 709 -6.439 24.030 41.887 1.00 17.37 C ATOM 297 O GLU A 709 -6.496 23.412 42.950 1.00 18.86 O ATOM 298 CB GLU A 709 -8.089 25.835 41.458 1.00 18.94 C ATOM 299 CG GLU A 709 -9.078 25.111 42.355 1.00 24.70 C ATOM 300 CD GLU A 709 -10.507 25.498 42.098 1.00 29.12 C ATOM 301 OE1 GLU A 709 -11.003 25.234 40.982 1.00 32.92 O ATOM 302 OE2 GLU A 709 -11.133 26.064 43.019 1.00 33.29 O ATOM 0 H GLU A 709 -6.070 26.567 40.269 1.00 15.26 H new ATOM 0 HA GLU A 709 -6.476 25.897 42.743 1.00 17.37 H new ATOM 0 HB2 GLU A 709 -8.249 26.791 41.504 1.00 18.94 H new ATOM 0 HB3 GLU A 709 -8.231 25.567 40.537 1.00 18.94 H new ATOM 0 HG2 GLU A 709 -8.981 24.154 42.227 1.00 24.70 H new ATOM 0 HG3 GLU A 709 -8.861 25.297 43.282 1.00 24.70 H new ATOM 303 N ARG A 710 -6.198 23.434 40.723 1.00 16.11 N ATOM 304 CA ARG A 710 -5.984 21.992 40.661 1.00 15.91 C ATOM 305 C ARG A 710 -4.719 21.600 41.412 1.00 15.99 C ATOM 306 O ARG A 710 -4.703 20.603 42.135 1.00 17.62 O ATOM 307 CB ARG A 710 -5.908 21.529 39.207 1.00 15.70 C ATOM 308 CG ARG A 710 -7.219 21.703 38.454 1.00 16.64 C ATOM 309 CD ARG A 710 -7.089 21.248 37.021 1.00 16.59 C ATOM 310 NE ARG A 710 -8.362 21.344 36.314 1.00 18.17 N ATOM 311 CZ ARG A 710 -8.607 20.776 35.139 1.00 19.86 C ATOM 312 NH1 ARG A 710 -7.665 20.068 34.533 1.00 19.99 N ATOM 313 NH2 ARG A 710 -9.799 20.911 34.574 1.00 21.98 N ATOM 0 H ARG A 710 -6.155 23.841 39.966 1.00 16.11 H new ATOM 0 HA ARG A 710 -6.737 21.553 41.088 1.00 15.91 H new ATOM 0 HB2 ARG A 710 -5.211 22.027 38.751 1.00 15.70 H new ATOM 0 HB3 ARG A 710 -5.650 20.594 39.184 1.00 15.70 H new ATOM 0 HG2 ARG A 710 -7.918 21.196 38.895 1.00 16.64 H new ATOM 0 HG3 ARG A 710 -7.487 22.635 38.477 1.00 16.64 H new ATOM 0 HD2 ARG A 710 -6.424 21.789 36.567 1.00 16.59 H new ATOM 0 HD3 ARG A 710 -6.773 20.331 36.998 1.00 16.59 H new ATOM 0 HE ARG A 710 -8.994 21.797 36.682 1.00 18.17 H new ATOM 0 HH11 ARG A 710 -6.893 19.976 34.901 1.00 19.99 H new ATOM 0 HH12 ARG A 710 -7.826 19.701 33.772 1.00 19.99 H new ATOM 0 HH21 ARG A 710 -10.413 21.366 34.969 1.00 21.98 H new ATOM 0 HH22 ARG A 710 -9.958 20.543 33.813 1.00 21.98 H new ATOM 314 N GLN A 711 -3.658 22.384 41.252 1.00 14.74 N ATOM 315 CA GLN A 711 -2.420 22.089 41.959 1.00 16.28 C ATOM 316 C GLN A 711 -2.568 22.326 43.457 1.00 16.06 C ATOM 317 O GLN A 711 -1.942 21.627 44.251 1.00 16.95 O ATOM 318 CB GLN A 711 -1.261 22.933 41.410 1.00 15.75 C ATOM 319 CG AGLN A 711 -0.834 22.525 39.999 0.50 14.53 C ATOM 320 CG BGLN A 711 -0.694 22.475 40.075 0.50 19.07 C ATOM 321 CD AGLN A 711 0.512 23.099 39.598 0.50 13.01 C ATOM 322 CD BGLN A 711 0.288 21.331 40.224 0.50 20.34 C ATOM 323 OE1AGLN A 711 1.177 23.750 40.540 0.50 14.57 O flip ATOM 324 OE1BGLN A 711 0.626 21.001 41.465 0.50 22.56 O flip ATOM 325 NE2AGLN A 711 0.953 22.953 38.453 0.50 12.00 N flip ATOM 326 NE2BGLN A 711 0.757 20.764 39.236 0.50 21.20 N flip ATOM 0 H GLN A 711 -3.634 23.080 40.747 1.00 14.74 H new ATOM 0 HA GLN A 711 -2.221 21.151 41.814 1.00 16.28 H new ATOM 0 HB2AGLN A 711 -1.523 23.867 41.405 0.50 15.75 H new ATOM 0 HB2BGLN A 711 -1.564 23.850 41.318 0.50 15.75 H new ATOM 0 HB3AGLN A 711 -0.501 22.855 42.007 0.50 15.75 H new ATOM 0 HB3BGLN A 711 -0.545 22.936 42.064 0.50 15.75 H new ATOM 0 HG2AGLN A 711 -0.796 21.557 39.945 0.50 19.07 H new ATOM 0 HG2BGLN A 711 -1.421 22.200 39.495 0.50 19.07 H new ATOM 0 HG3AGLN A 711 -1.507 22.819 39.365 0.50 19.07 H new ATOM 0 HG3BGLN A 711 -0.253 23.222 39.641 0.50 19.07 H new ATOM 0 HE21AGLN A 711 0.493 22.524 37.867 0.50 21.20 H new ATOM 0 HE21BGLN A 711 0.515 21.005 38.447 0.50 21.20 H new ATOM 0 HE22AGLN A 711 1.720 23.280 38.243 0.50 21.20 H new ATOM 0 HE22BGLN A 711 1.327 20.128 39.336 0.50 21.20 H new ATOM 327 N LEU A 712 -3.397 23.295 43.850 1.00 15.74 N ATOM 328 CA LEU A 712 -3.578 23.573 45.274 1.00 16.00 C ATOM 329 C LEU A 712 -4.163 22.361 45.995 1.00 15.50 C ATOM 330 O LEU A 712 -3.822 22.092 47.146 1.00 15.84 O ATOM 331 CB LEU A 712 -4.474 24.800 45.491 1.00 17.06 C ATOM 332 CG LEU A 712 -4.518 25.312 46.938 1.00 18.51 C ATOM 333 CD1 LEU A 712 -3.112 25.694 47.397 1.00 21.77 C ATOM 334 CD2 LEU A 712 -5.447 26.511 47.029 1.00 20.94 C ATOM 0 H LEU A 712 -3.855 23.793 43.319 1.00 15.74 H new ATOM 0 HA LEU A 712 -2.704 23.764 45.648 1.00 16.00 H new ATOM 0 HB2 LEU A 712 -4.165 25.517 44.916 1.00 17.06 H new ATOM 0 HB3 LEU A 712 -5.376 24.581 45.211 1.00 17.06 H new ATOM 0 HG LEU A 712 -4.854 24.610 47.517 1.00 18.51 H new ATOM 0 HD11 LEU A 712 -3.146 26.016 48.311 1.00 21.77 H new ATOM 0 HD12 LEU A 712 -2.534 24.917 47.350 1.00 21.77 H new ATOM 0 HD13 LEU A 712 -2.762 26.392 46.821 1.00 21.77 H new ATOM 0 HD21 LEU A 712 -5.473 26.832 47.944 1.00 20.94 H new ATOM 0 HD22 LEU A 712 -5.123 27.217 46.448 1.00 20.94 H new ATOM 0 HD23 LEU A 712 -6.340 26.251 46.753 1.00 20.94 H new ATOM 335 N VAL A 713 -5.042 21.632 45.314 1.00 16.70 N ATOM 336 CA VAL A 713 -5.636 20.435 45.894 1.00 17.15 C ATOM 337 C VAL A 713 -4.510 19.451 46.208 1.00 16.22 C ATOM 338 O VAL A 713 -4.471 18.858 47.286 1.00 17.81 O ATOM 339 CB VAL A 713 -6.637 19.781 44.912 1.00 19.30 C ATOM 340 CG1 VAL A 713 -7.060 18.401 45.420 1.00 19.58 C ATOM 341 CG2 VAL A 713 -7.856 20.683 44.757 1.00 20.14 C ATOM 0 H VAL A 713 -5.307 21.814 44.516 1.00 16.70 H new ATOM 0 HA VAL A 713 -6.121 20.674 46.700 1.00 17.15 H new ATOM 0 HB VAL A 713 -6.209 19.669 44.049 1.00 19.30 H new ATOM 0 HG11 VAL A 713 -7.687 18.004 44.795 1.00 19.58 H new ATOM 0 HG12 VAL A 713 -6.279 17.832 45.499 1.00 19.58 H new ATOM 0 HG13 VAL A 713 -7.483 18.491 46.288 1.00 19.58 H new ATOM 0 HG21 VAL A 713 -8.485 20.275 44.142 1.00 20.14 H new ATOM 0 HG22 VAL A 713 -8.281 20.804 45.620 1.00 20.14 H new ATOM 0 HG23 VAL A 713 -7.579 21.545 44.410 1.00 20.14 H new ATOM 342 N HIS A 714 -3.582 19.292 45.270 1.00 15.90 N ATOM 343 CA HIS A 714 -2.465 18.379 45.486 1.00 15.98 C ATOM 344 C HIS A 714 -1.472 18.906 46.517 1.00 15.05 C ATOM 345 O HIS A 714 -0.906 18.129 47.284 1.00 16.97 O ATOM 346 CB HIS A 714 -1.740 18.087 44.168 1.00 18.33 C ATOM 347 CG HIS A 714 -2.507 17.189 43.250 1.00 21.37 C ATOM 348 ND1 HIS A 714 -3.510 17.647 42.423 1.00 24.10 N ATOM 349 CD2 HIS A 714 -2.442 15.851 43.058 1.00 24.11 C ATOM 350 CE1 HIS A 714 -4.030 16.629 41.760 1.00 24.52 C ATOM 351 NE2 HIS A 714 -3.400 15.528 42.128 1.00 25.78 N ATOM 0 H HIS A 714 -3.579 19.697 44.511 1.00 15.90 H new ATOM 0 HA HIS A 714 -2.842 17.557 45.836 1.00 15.98 H new ATOM 0 HB2 HIS A 714 -1.561 18.925 43.714 1.00 18.33 H new ATOM 0 HB3 HIS A 714 -0.881 17.681 44.363 1.00 18.33 H new ATOM 0 HD1 HIS A 714 -3.759 18.467 42.350 1.00 24.10 H new ATOM 0 HD2 HIS A 714 -1.858 15.261 43.477 1.00 24.11 H new ATOM 0 HE1 HIS A 714 -4.721 16.679 41.140 1.00 24.52 H new ATOM 352 N VAL A 715 -1.259 20.217 46.540 1.00 14.29 N ATOM 353 CA VAL A 715 -0.332 20.796 47.508 1.00 14.30 C ATOM 354 C VAL A 715 -0.842 20.572 48.930 1.00 16.11 C ATOM 355 O VAL A 715 -0.062 20.315 49.848 1.00 15.21 O ATOM 356 CB VAL A 715 -0.121 22.308 47.252 1.00 15.59 C ATOM 357 CG1 VAL A 715 0.603 22.944 48.426 1.00 16.53 C ATOM 358 CG2 VAL A 715 0.687 22.503 45.972 1.00 17.80 C ATOM 0 H VAL A 715 -1.635 20.783 46.012 1.00 14.29 H new ATOM 0 HA VAL A 715 0.523 20.351 47.402 1.00 14.30 H new ATOM 0 HB VAL A 715 -0.986 22.736 47.153 1.00 15.59 H new ATOM 0 HG11 VAL A 715 0.729 23.890 48.254 1.00 16.53 H new ATOM 0 HG12 VAL A 715 0.076 22.830 49.232 1.00 16.53 H new ATOM 0 HG13 VAL A 715 1.467 22.519 48.542 1.00 16.53 H new ATOM 0 HG21 VAL A 715 0.818 23.451 45.813 1.00 17.80 H new ATOM 0 HG22 VAL A 715 1.549 22.069 46.064 1.00 17.80 H new ATOM 0 HG23 VAL A 715 0.208 22.114 45.224 1.00 17.80 H new ATOM 359 N VAL A 716 -2.157 20.655 49.114 1.00 14.78 N ATOM 360 CA VAL A 716 -2.731 20.431 50.437 1.00 16.11 C ATOM 361 C VAL A 716 -2.533 18.974 50.870 1.00 15.08 C ATOM 362 O VAL A 716 -2.121 18.711 51.997 1.00 15.96 O ATOM 363 CB VAL A 716 -4.243 20.773 50.463 1.00 14.93 C ATOM 364 CG1 VAL A 716 -4.861 20.301 51.776 1.00 19.54 C ATOM 365 CG2 VAL A 716 -4.440 22.281 50.298 1.00 16.52 C ATOM 0 H VAL A 716 -2.727 20.837 48.496 1.00 14.78 H new ATOM 0 HA VAL A 716 -2.270 21.018 51.056 1.00 16.11 H new ATOM 0 HB VAL A 716 -4.684 20.318 49.728 1.00 14.93 H new ATOM 0 HG11 VAL A 716 -5.806 20.518 51.785 1.00 19.54 H new ATOM 0 HG12 VAL A 716 -4.749 19.341 51.860 1.00 19.54 H new ATOM 0 HG13 VAL A 716 -4.421 20.743 52.519 1.00 19.54 H new ATOM 0 HG21 VAL A 716 -5.388 22.488 50.315 1.00 16.52 H new ATOM 0 HG22 VAL A 716 -3.995 22.747 51.023 1.00 16.52 H new ATOM 0 HG23 VAL A 716 -4.063 22.566 49.451 1.00 16.52 H new ATOM 366 N LYS A 717 -2.817 18.031 49.973 1.00 15.95 N ATOM 367 CA LYS A 717 -2.654 16.606 50.286 1.00 17.09 C ATOM 368 C LYS A 717 -1.191 16.296 50.582 1.00 16.40 C ATOM 369 O LYS A 717 -0.872 15.525 51.488 1.00 16.79 O ATOM 370 CB LYS A 717 -3.116 15.734 49.117 1.00 19.67 C ATOM 371 CG LYS A 717 -4.582 15.884 48.747 1.00 25.88 C ATOM 372 CD LYS A 717 -4.930 14.959 47.592 1.00 29.57 C ATOM 373 CE LYS A 717 -6.382 15.098 47.170 1.00 33.54 C ATOM 374 NZ LYS A 717 -6.702 14.186 46.034 1.00 36.02 N ATOM 0 H LYS A 717 -3.105 18.192 49.179 1.00 15.95 H new ATOM 0 HA LYS A 717 -3.198 16.410 51.065 1.00 17.09 H new ATOM 0 HB2 LYS A 717 -2.576 15.946 48.339 1.00 19.67 H new ATOM 0 HB3 LYS A 717 -2.945 14.805 49.336 1.00 19.67 H new ATOM 0 HG2 LYS A 717 -5.139 15.678 49.514 1.00 25.88 H new ATOM 0 HG3 LYS A 717 -4.768 16.804 48.501 1.00 25.88 H new ATOM 0 HD2 LYS A 717 -4.354 15.155 46.837 1.00 29.57 H new ATOM 0 HD3 LYS A 717 -4.756 14.040 47.850 1.00 29.57 H new ATOM 0 HE2 LYS A 717 -6.961 14.898 47.922 1.00 33.54 H new ATOM 0 HE3 LYS A 717 -6.560 16.016 46.912 1.00 33.54 H new ATOM 0 HZ1 LYS A 717 -7.556 14.285 45.805 1.00 36.02 H new ATOM 0 HZ2 LYS A 717 -6.184 14.385 45.338 1.00 36.02 H new ATOM 0 HZ3 LYS A 717 -6.557 13.343 46.280 1.00 36.02 H new ATOM 375 N TRP A 718 -0.310 16.906 49.800 1.00 14.72 N ATOM 376 CA TRP A 718 1.132 16.735 49.953 1.00 14.63 C ATOM 377 C TRP A 718 1.613 17.291 51.295 1.00 13.87 C ATOM 378 O TRP A 718 2.286 16.603 52.059 1.00 14.22 O ATOM 379 CB TRP A 718 1.842 17.460 48.804 1.00 14.28 C ATOM 380 CG TRP A 718 3.321 17.659 48.993 1.00 13.54 C ATOM 381 CD1 TRP A 718 4.309 16.737 48.806 1.00 14.69 C ATOM 382 CD2 TRP A 718 3.974 18.875 49.385 1.00 12.53 C ATOM 383 NE1 TRP A 718 5.541 17.304 49.053 1.00 12.75 N ATOM 384 CE2 TRP A 718 5.364 18.614 49.409 1.00 12.80 C ATOM 385 CE3 TRP A 718 3.520 20.160 49.713 1.00 14.53 C ATOM 386 CZ2 TRP A 718 6.306 19.596 49.749 1.00 13.23 C ATOM 387 CZ3 TRP A 718 4.457 21.139 50.050 1.00 15.16 C ATOM 388 CH2 TRP A 718 5.836 20.848 50.063 1.00 14.48 C ATOM 0 H TRP A 718 -0.532 17.436 49.160 1.00 14.72 H new ATOM 0 HA TRP A 718 1.341 15.788 49.930 1.00 14.63 H new ATOM 0 HB2 TRP A 718 1.699 16.959 47.986 1.00 14.28 H new ATOM 0 HB3 TRP A 718 1.426 18.328 48.681 1.00 14.28 H new ATOM 0 HD1 TRP A 718 4.171 15.854 48.549 1.00 14.69 H new ATOM 0 HE1 TRP A 718 6.298 16.900 48.993 1.00 12.75 H new ATOM 0 HE3 TRP A 718 2.611 20.357 49.706 1.00 14.53 H new ATOM 0 HZ2 TRP A 718 7.216 19.406 49.761 1.00 13.23 H new ATOM 0 HZ3 TRP A 718 4.167 21.995 50.269 1.00 15.16 H new ATOM 0 HH2 TRP A 718 6.440 21.518 50.289 1.00 14.48 H new ATOM 389 N ALA A 719 1.264 18.543 51.574 1.00 14.25 N ATOM 390 CA ALA A 719 1.683 19.188 52.813 1.00 13.70 C ATOM 391 C ALA A 719 1.239 18.435 54.055 1.00 14.20 C ATOM 392 O ALA A 719 2.013 18.227 54.985 1.00 15.78 O ATOM 393 CB ALA A 719 1.156 20.619 52.867 1.00 14.69 C ATOM 0 H ALA A 719 0.784 19.037 51.058 1.00 14.25 H new ATOM 0 HA ALA A 719 2.653 19.188 52.809 1.00 13.70 H new ATOM 0 HB1 ALA A 719 1.440 21.038 53.694 1.00 14.69 H new ATOM 0 HB2 ALA A 719 1.505 21.121 52.114 1.00 14.69 H new ATOM 0 HB3 ALA A 719 0.187 20.609 52.827 1.00 14.69 H new ATOM 394 N LYS A 720 -0.018 18.024 54.073 1.00 14.86 N ATOM 395 CA LYS A 720 -0.536 17.310 55.229 1.00 15.81 C ATOM 396 C LYS A 720 0.161 15.976 55.478 1.00 15.43 C ATOM 397 O LYS A 720 0.067 15.432 56.573 1.00 18.15 O ATOM 398 CB LYS A 720 -2.043 17.099 55.084 1.00 18.96 C ATOM 399 CG LYS A 720 -2.829 18.402 55.141 1.00 20.72 C ATOM 400 CD LYS A 720 -4.264 18.213 54.696 1.00 25.37 C ATOM 401 CE LYS A 720 -5.105 17.511 55.740 1.00 29.07 C ATOM 402 NZ LYS A 720 -6.450 17.212 55.172 1.00 33.21 N ATOM 0 H LYS A 720 -0.582 18.146 53.436 1.00 14.86 H new ATOM 0 HA LYS A 720 -0.352 17.865 56.003 1.00 15.81 H new ATOM 0 HB2 LYS A 720 -2.224 16.654 54.241 1.00 18.96 H new ATOM 0 HB3 LYS A 720 -2.352 16.508 55.789 1.00 18.96 H new ATOM 0 HG2 LYS A 720 -2.814 18.749 56.047 1.00 20.72 H new ATOM 0 HG3 LYS A 720 -2.400 19.064 54.576 1.00 20.72 H new ATOM 0 HD2 LYS A 720 -4.655 19.078 54.498 1.00 25.37 H new ATOM 0 HD3 LYS A 720 -4.280 17.700 53.873 1.00 25.37 H new ATOM 0 HE2 LYS A 720 -4.671 16.690 56.021 1.00 29.07 H new ATOM 0 HE3 LYS A 720 -5.192 18.069 56.528 1.00 29.07 H new ATOM 0 HZ1 LYS A 720 -6.941 16.786 55.780 1.00 33.21 H new ATOM 0 HZ2 LYS A 720 -6.853 17.973 54.946 1.00 33.21 H new ATOM 0 HZ3 LYS A 720 -6.360 16.698 54.451 1.00 33.21 H new ATOM 403 N ALA A 721 0.884 15.469 54.479 1.00 15.59 N ATOM 404 CA ALA A 721 1.594 14.193 54.605 1.00 14.39 C ATOM 405 C ALA A 721 3.088 14.354 54.877 1.00 14.71 C ATOM 406 O ALA A 721 3.823 13.372 54.962 1.00 15.61 O ATOM 407 CB ALA A 721 1.389 13.353 53.343 1.00 16.73 C ATOM 0 H ALA A 721 0.977 15.851 53.714 1.00 15.59 H new ATOM 0 HA ALA A 721 1.215 13.743 55.377 1.00 14.39 H new ATOM 0 HB1 ALA A 721 1.862 12.511 53.434 1.00 16.73 H new ATOM 0 HB2 ALA A 721 0.443 13.180 53.219 1.00 16.73 H new ATOM 0 HB3 ALA A 721 1.733 13.834 52.574 1.00 16.73 H new ATOM 408 N LEU A 722 3.532 15.596 55.017 1.00 13.65 N ATOM 409 CA LEU A 722 4.941 15.864 55.284 1.00 13.87 C ATOM 410 C LEU A 722 5.343 15.491 56.703 1.00 15.57 C ATOM 411 O LEU A 722 4.566 15.657 57.640 1.00 16.49 O ATOM 412 CB LEU A 722 5.243 17.349 55.075 1.00 14.07 C ATOM 413 CG LEU A 722 5.492 17.830 53.650 1.00 14.86 C ATOM 414 CD1 LEU A 722 5.451 19.352 53.624 1.00 15.85 C ATOM 415 CD2 LEU A 722 6.847 17.303 53.169 1.00 13.67 C ATOM 0 H LEU A 722 3.037 16.297 54.962 1.00 13.65 H new ATOM 0 HA LEU A 722 5.450 15.317 54.665 1.00 13.87 H new ATOM 0 HB2 LEU A 722 4.500 17.858 55.436 1.00 14.07 H new ATOM 0 HB3 LEU A 722 6.024 17.572 55.606 1.00 14.07 H new ATOM 0 HG LEU A 722 4.805 17.494 53.053 1.00 14.86 H new ATOM 0 HD11 LEU A 722 5.609 19.665 52.719 1.00 15.85 H new ATOM 0 HD12 LEU A 722 4.581 19.658 53.924 1.00 15.85 H new ATOM 0 HD13 LEU A 722 6.137 19.704 54.212 1.00 15.85 H new ATOM 0 HD21 LEU A 722 7.009 17.607 52.262 1.00 13.67 H new ATOM 0 HD22 LEU A 722 7.549 17.635 53.751 1.00 13.67 H new ATOM 0 HD23 LEU A 722 6.843 16.333 53.189 1.00 13.67 H new ATOM 416 N PRO A 723 6.571 14.974 56.879 1.00 15.74 N ATOM 417 CA PRO A 723 7.028 14.607 58.222 1.00 15.77 C ATOM 418 C PRO A 723 6.874 15.791 59.183 1.00 17.18 C ATOM 419 O PRO A 723 7.287 16.915 58.868 1.00 16.70 O ATOM 420 CB PRO A 723 8.497 14.250 57.997 1.00 16.87 C ATOM 421 CG PRO A 723 8.490 13.667 56.629 1.00 16.57 C ATOM 422 CD PRO A 723 7.570 14.603 55.860 1.00 16.77 C ATOM 0 HA PRO A 723 6.524 13.882 58.623 1.00 15.77 H new ATOM 0 HB2 PRO A 723 9.070 15.031 58.052 1.00 16.87 H new ATOM 0 HB3 PRO A 723 8.818 13.616 58.657 1.00 16.87 H new ATOM 0 HG2 PRO A 723 9.380 13.643 56.245 1.00 16.57 H new ATOM 0 HG3 PRO A 723 8.157 12.756 56.629 1.00 16.57 H new ATOM 0 HD2 PRO A 723 8.045 15.378 55.520 1.00 16.77 H new ATOM 0 HD3 PRO A 723 7.162 14.163 55.098 1.00 16.77 H new ATOM 423 N GLY A 724 6.259 15.537 60.338 1.00 16.99 N ATOM 424 CA GLY A 724 6.081 16.565 61.348 1.00 18.30 C ATOM 425 C GLY A 724 5.054 17.662 61.123 1.00 18.56 C ATOM 426 O GLY A 724 4.833 18.478 62.015 1.00 19.19 O ATOM 0 H GLY A 724 5.937 14.769 60.552 1.00 16.99 H new ATOM 0 HA2 GLY A 724 5.854 16.120 62.179 1.00 18.30 H new ATOM 0 HA3 GLY A 724 6.941 16.994 61.481 1.00 18.30 H new ATOM 427 N PHE A 725 4.414 17.690 59.957 1.00 18.25 N ATOM 428 CA PHE A 725 3.429 18.731 59.663 1.00 19.70 C ATOM 429 C PHE A 725 2.321 18.806 60.712 1.00 21.52 C ATOM 430 O PHE A 725 1.835 19.893 61.033 1.00 20.89 O ATOM 431 CB PHE A 725 2.810 18.508 58.278 1.00 19.99 C ATOM 432 CG PHE A 725 2.038 19.694 57.757 1.00 19.42 C ATOM 433 CD1 PHE A 725 2.697 20.860 57.375 1.00 20.10 C ATOM 434 CD2 PHE A 725 0.652 19.645 57.649 1.00 19.98 C ATOM 435 CE1 PHE A 725 1.984 21.961 56.892 1.00 20.12 C ATOM 436 CE2 PHE A 725 -0.068 20.737 57.168 1.00 20.13 C ATOM 437 CZ PHE A 725 0.598 21.895 56.789 1.00 20.66 C ATOM 0 H PHE A 725 4.534 17.119 59.325 1.00 18.25 H new ATOM 0 HA PHE A 725 3.905 19.576 59.679 1.00 19.70 H new ATOM 0 HB2 PHE A 725 3.516 18.291 57.649 1.00 19.99 H new ATOM 0 HB3 PHE A 725 2.219 17.740 58.317 1.00 19.99 H new ATOM 0 HD1 PHE A 725 3.623 20.907 57.442 1.00 20.10 H new ATOM 0 HD2 PHE A 725 0.199 18.873 57.901 1.00 19.98 H new ATOM 0 HE1 PHE A 725 2.434 22.735 56.640 1.00 20.12 H new ATOM 0 HE2 PHE A 725 -0.994 20.690 57.101 1.00 20.13 H new ATOM 0 HZ PHE A 725 0.119 22.624 56.467 1.00 20.66 H new ATOM 438 N ARG A 726 1.928 17.650 61.244 1.00 23.06 N ATOM 439 CA ARG A 726 0.882 17.593 62.260 1.00 25.25 C ATOM 440 C ARG A 726 1.308 18.180 63.600 1.00 24.63 C ATOM 441 O ARG A 726 0.475 18.375 64.489 1.00 26.47 O ATOM 442 CB ARG A 726 0.413 16.152 62.466 1.00 27.22 C ATOM 443 CG ARG A 726 -0.639 15.690 61.476 1.00 29.77 C ATOM 444 CD ARG A 726 -1.220 14.366 61.937 1.00 34.30 C ATOM 445 NE ARG A 726 -2.611 14.196 61.531 1.00 37.80 N ATOM 446 CZ ARG A 726 -3.498 13.485 62.221 1.00 39.80 C ATOM 447 NH1 ARG A 726 -3.133 12.885 63.346 1.00 41.63 N ATOM 448 NH2 ARG A 726 -4.749 13.378 61.792 1.00 40.65 N ATOM 0 H ARG A 726 2.257 16.885 61.028 1.00 23.06 H new ATOM 0 HA ARG A 726 0.154 18.140 61.925 1.00 25.25 H new ATOM 0 HB2 ARG A 726 1.180 15.562 62.406 1.00 27.22 H new ATOM 0 HB3 ARG A 726 0.057 16.064 63.364 1.00 27.22 H new ATOM 0 HG2 ARG A 726 -1.342 16.355 61.402 1.00 29.77 H new ATOM 0 HG3 ARG A 726 -0.247 15.593 60.594 1.00 29.77 H new ATOM 0 HD2 ARG A 726 -0.689 13.639 61.575 1.00 34.30 H new ATOM 0 HD3 ARG A 726 -1.159 14.308 62.903 1.00 34.30 H new ATOM 0 HE ARG A 726 -2.872 14.577 60.805 1.00 37.80 H new ATOM 0 HH11 ARG A 726 -2.324 12.956 63.628 1.00 41.63 H new ATOM 0 HH12 ARG A 726 -3.706 12.425 63.793 1.00 41.63 H new ATOM 0 HH21 ARG A 726 -4.989 13.769 61.065 1.00 40.65 H new ATOM 0 HH22 ARG A 726 -5.320 12.917 62.241 1.00 40.65 H new ATOM 449 N ASN A 727 2.600 18.447 63.761 1.00 24.41 N ATOM 450 CA ASN A 727 3.082 19.038 65.004 1.00 25.60 C ATOM 451 C ASN A 727 2.565 20.470 65.101 1.00 25.21 C ATOM 452 O ASN A 727 2.408 21.009 66.194 1.00 26.16 O ATOM 453 CB ASN A 727 4.614 19.051 65.055 1.00 28.81 C ATOM 454 CG ASN A 727 5.209 17.665 65.204 1.00 30.45 C ATOM 455 OD1 ASN A 727 4.691 16.830 65.943 1.00 33.43 O ATOM 456 ND2 ASN A 727 6.317 17.421 64.514 1.00 33.32 N ATOM 0 H ASN A 727 3.207 18.296 63.171 1.00 24.41 H new ATOM 0 HA ASN A 727 2.758 18.505 65.747 1.00 25.60 H new ATOM 0 HB2 ASN A 727 4.957 19.460 64.245 1.00 28.81 H new ATOM 0 HB3 ASN A 727 4.904 19.604 65.797 1.00 28.81 H new ATOM 0 HD21 ASN A 727 6.701 16.654 64.574 1.00 33.32 H new ATOM 0 HD22 ASN A 727 6.651 18.030 64.007 1.00 33.32 H new ATOM 457 N LEU A 728 2.292 21.080 63.950 1.00 22.70 N ATOM 458 CA LEU A 728 1.805 22.457 63.905 1.00 21.57 C ATOM 459 C LEU A 728 0.349 22.597 64.319 1.00 21.31 C ATOM 460 O LEU A 728 -0.453 21.684 64.117 1.00 21.30 O ATOM 461 CB LEU A 728 1.940 23.024 62.489 1.00 21.49 C ATOM 462 CG LEU A 728 3.312 23.057 61.817 1.00 21.65 C ATOM 463 CD1 LEU A 728 3.166 23.672 60.429 1.00 22.06 C ATOM 464 CD2 LEU A 728 4.285 23.863 62.659 1.00 25.30 C ATOM 0 H LEU A 728 2.383 20.711 63.179 1.00 22.70 H new ATOM 0 HA LEU A 728 2.352 22.947 64.539 1.00 21.57 H new ATOM 0 HB2 LEU A 728 1.348 22.514 61.915 1.00 21.49 H new ATOM 0 HB3 LEU A 728 1.604 23.934 62.507 1.00 21.49 H new ATOM 0 HG LEU A 728 3.660 22.156 61.734 1.00 21.65 H new ATOM 0 HD11 LEU A 728 4.032 23.698 59.993 1.00 22.06 H new ATOM 0 HD12 LEU A 728 2.554 23.136 59.900 1.00 22.06 H new ATOM 0 HD13 LEU A 728 2.818 24.574 60.509 1.00 22.06 H new ATOM 0 HD21 LEU A 728 5.153 23.879 62.225 1.00 25.30 H new ATOM 0 HD22 LEU A 728 3.956 24.770 62.755 1.00 25.30 H new ATOM 0 HD23 LEU A 728 4.369 23.456 63.535 1.00 25.30 H new ATOM 465 N HIS A 729 0.009 23.748 64.893 1.00 21.25 N ATOM 466 CA HIS A 729 -1.372 24.020 65.271 1.00 21.73 C ATOM 467 C HIS A 729 -2.123 23.993 63.939 1.00 22.10 C ATOM 468 O HIS A 729 -1.585 24.432 62.919 1.00 19.37 O ATOM 469 CB HIS A 729 -1.485 25.410 65.901 1.00 23.59 C ATOM 470 CG HIS A 729 -2.870 25.762 66.343 1.00 25.58 C ATOM 471 ND1 HIS A 729 -3.969 26.112 65.634 1.00 28.14 N flip ATOM 472 CD2 HIS A 729 -3.257 25.748 67.666 1.00 25.87 C flip ATOM 473 CE1 HIS A 729 -4.990 26.299 66.533 1.00 26.72 C flip ATOM 474 NE2 HIS A 729 -4.534 26.074 67.752 1.00 28.86 N flip ATOM 0 H HIS A 729 0.562 24.382 65.071 1.00 21.25 H new ATOM 0 HA HIS A 729 -1.717 23.386 65.919 1.00 21.73 H new ATOM 0 HB2 HIS A 729 -0.889 25.459 66.664 1.00 23.59 H new ATOM 0 HB3 HIS A 729 -1.181 26.072 65.260 1.00 23.59 H new ATOM 0 HD2 HIS A 729 -2.705 25.541 68.385 1.00 25.87 H new ATOM 0 HE1 HIS A 729 -5.861 26.544 66.318 1.00 26.72 H new ATOM 0 HE2 HIS A 729 -4.991 26.130 68.478 1.00 28.86 H new ATOM 475 N VAL A 730 -3.354 23.490 63.934 1.00 21.91 N ATOM 476 CA VAL A 730 -4.118 23.406 62.694 1.00 23.47 C ATOM 477 C VAL A 730 -4.286 24.745 61.973 1.00 22.32 C ATOM 478 O VAL A 730 -4.260 24.797 60.739 1.00 22.18 O ATOM 479 CB VAL A 730 -5.513 22.773 62.929 1.00 25.09 C ATOM 480 CG1 VAL A 730 -6.401 23.721 63.709 1.00 27.63 C ATOM 481 CG2 VAL A 730 -6.144 22.410 61.596 1.00 27.07 C ATOM 0 H VAL A 730 -3.762 23.194 64.631 1.00 21.91 H new ATOM 0 HA VAL A 730 -3.588 22.835 62.116 1.00 23.47 H new ATOM 0 HB VAL A 730 -5.410 21.963 63.453 1.00 25.09 H new ATOM 0 HG11 VAL A 730 -7.269 23.311 63.848 1.00 27.63 H new ATOM 0 HG12 VAL A 730 -5.994 23.913 64.568 1.00 27.63 H new ATOM 0 HG13 VAL A 730 -6.510 24.546 63.211 1.00 27.63 H new ATOM 0 HG21 VAL A 730 -7.017 22.014 61.748 1.00 27.07 H new ATOM 0 HG22 VAL A 730 -6.242 23.210 61.056 1.00 27.07 H new ATOM 0 HG23 VAL A 730 -5.577 21.774 61.132 1.00 27.07 H new ATOM 482 N ASP A 731 -4.452 25.832 62.724 1.00 21.28 N ATOM 483 CA ASP A 731 -4.607 27.135 62.087 1.00 22.00 C ATOM 484 C ASP A 731 -3.326 27.514 61.352 1.00 19.57 C ATOM 485 O ASP A 731 -3.370 28.181 60.317 1.00 19.33 O ATOM 486 CB ASP A 731 -4.951 28.219 63.112 1.00 25.83 C ATOM 487 CG ASP A 731 -6.323 28.026 63.728 1.00 30.28 C ATOM 488 OD1 ASP A 731 -7.210 27.472 63.045 1.00 33.98 O ATOM 489 OD2 ASP A 731 -6.517 28.444 64.889 1.00 35.62 O ATOM 0 H ASP A 731 -4.477 25.838 63.584 1.00 21.28 H new ATOM 0 HA ASP A 731 -5.339 27.071 61.454 1.00 22.00 H new ATOM 0 HB2 ASP A 731 -4.282 28.219 63.814 1.00 25.83 H new ATOM 0 HB3 ASP A 731 -4.912 29.088 62.683 1.00 25.83 H new ATOM 490 N ASP A 732 -2.185 27.081 61.883 1.00 19.26 N ATOM 491 CA ASP A 732 -0.907 27.381 61.250 1.00 18.17 C ATOM 492 C ASP A 732 -0.684 26.469 60.049 1.00 18.93 C ATOM 493 O ASP A 732 -0.026 26.856 59.081 1.00 17.38 O ATOM 494 CB ASP A 732 0.244 27.229 62.248 1.00 17.64 C ATOM 495 CG ASP A 732 0.170 28.238 63.382 1.00 18.56 C ATOM 496 OD1 ASP A 732 -0.421 29.322 63.179 1.00 20.36 O ATOM 497 OD2 ASP A 732 0.719 27.950 64.465 1.00 20.36 O ATOM 0 H ASP A 732 -2.130 26.616 62.604 1.00 19.26 H new ATOM 0 HA ASP A 732 -0.929 28.302 60.946 1.00 18.17 H new ATOM 0 HB2 ASP A 732 0.232 26.332 62.616 1.00 17.64 H new ATOM 0 HB3 ASP A 732 1.088 27.333 61.782 1.00 17.64 H new ATOM 498 N GLN A 733 -1.224 25.255 60.114 1.00 17.44 N ATOM 499 CA GLN A 733 -1.096 24.320 59.001 1.00 18.08 C ATOM 500 C GLN A 733 -1.755 24.958 57.788 1.00 17.98 C ATOM 501 O GLN A 733 -1.199 24.977 56.693 1.00 17.57 O ATOM 502 CB GLN A 733 -1.802 22.997 59.313 1.00 17.72 C ATOM 503 CG GLN A 733 -1.077 22.099 60.300 1.00 18.41 C ATOM 504 CD GLN A 733 -1.868 20.843 60.618 1.00 20.89 C ATOM 505 OE1 GLN A 733 -2.449 20.223 59.727 1.00 22.96 O ATOM 506 NE2 GLN A 733 -1.886 20.456 61.889 1.00 22.91 N ATOM 0 H GLN A 733 -1.665 24.955 60.788 1.00 17.44 H new ATOM 0 HA GLN A 733 -0.158 24.132 58.840 1.00 18.08 H new ATOM 0 HB2 GLN A 733 -2.685 23.192 59.663 1.00 17.72 H new ATOM 0 HB3 GLN A 733 -1.927 22.509 58.484 1.00 17.72 H new ATOM 0 HG2 GLN A 733 -0.213 21.852 59.936 1.00 18.41 H new ATOM 0 HG3 GLN A 733 -0.909 22.590 61.119 1.00 18.41 H new ATOM 0 HE21 GLN A 733 -1.468 20.915 62.484 1.00 22.91 H new ATOM 0 HE22 GLN A 733 -2.316 19.747 62.116 1.00 22.91 H new ATOM 507 N MET A 734 -2.950 25.499 57.989 1.00 18.47 N ATOM 508 CA MET A 734 -3.660 26.121 56.890 1.00 18.63 C ATOM 509 C MET A 734 -2.989 27.409 56.426 1.00 18.32 C ATOM 510 O MET A 734 -2.911 27.676 55.228 1.00 18.99 O ATOM 511 CB MET A 734 -5.107 26.405 57.289 1.00 21.38 C ATOM 512 CG MET A 734 -5.891 25.156 57.635 1.00 23.14 C ATOM 513 SD MET A 734 -7.651 25.491 57.800 1.00 27.04 S ATOM 514 CE MET A 734 -7.691 26.311 59.389 1.00 28.56 C ATOM 0 H MET A 734 -3.360 25.515 58.745 1.00 18.47 H new ATOM 0 HA MET A 734 -3.642 25.497 56.148 1.00 18.63 H new ATOM 0 HB2 MET A 734 -5.114 27.005 58.051 1.00 21.38 H new ATOM 0 HB3 MET A 734 -5.552 26.867 56.561 1.00 21.38 H new ATOM 0 HG2 MET A 734 -5.753 24.487 56.946 1.00 23.14 H new ATOM 0 HG3 MET A 734 -5.554 24.783 58.465 1.00 23.14 H new ATOM 0 HE1 MET A 734 -8.609 26.524 59.620 1.00 28.56 H new ATOM 0 HE2 MET A 734 -7.315 25.726 60.065 1.00 28.56 H new ATOM 0 HE3 MET A 734 -7.171 27.129 59.345 1.00 28.56 H new ATOM 515 N ALA A 735 -2.493 28.198 57.373 1.00 17.79 N ATOM 516 CA ALA A 735 -1.853 29.460 57.039 1.00 17.13 C ATOM 517 C ALA A 735 -0.602 29.318 56.179 1.00 15.88 C ATOM 518 O ALA A 735 -0.478 30.003 55.160 1.00 15.71 O ATOM 519 CB ALA A 735 -1.522 30.237 58.320 1.00 17.34 C ATOM 0 H ALA A 735 -2.518 28.019 58.214 1.00 17.79 H new ATOM 0 HA ALA A 735 -2.494 29.949 56.500 1.00 17.13 H new ATOM 0 HB1 ALA A 735 -1.096 31.077 58.088 1.00 17.34 H new ATOM 0 HB2 ALA A 735 -2.339 30.415 58.811 1.00 17.34 H new ATOM 0 HB3 ALA A 735 -0.921 29.711 58.871 1.00 17.34 H new ATOM 520 N VAL A 736 0.320 28.441 56.569 1.00 15.74 N ATOM 521 CA VAL A 736 1.545 28.300 55.785 1.00 16.02 C ATOM 522 C VAL A 736 1.270 27.862 54.354 1.00 14.64 C ATOM 523 O VAL A 736 1.966 28.284 53.432 1.00 16.00 O ATOM 524 CB VAL A 736 2.575 27.338 56.447 1.00 16.95 C ATOM 525 CG1 VAL A 736 2.986 27.893 57.805 1.00 18.82 C ATOM 526 CG2 VAL A 736 2.007 25.939 56.585 1.00 17.22 C ATOM 0 H VAL A 736 0.261 27.933 57.261 1.00 15.74 H new ATOM 0 HA VAL A 736 1.937 29.187 55.762 1.00 16.02 H new ATOM 0 HB VAL A 736 3.358 27.277 55.878 1.00 16.95 H new ATOM 0 HG11 VAL A 736 3.628 27.295 58.219 1.00 18.82 H new ATOM 0 HG12 VAL A 736 3.389 28.768 57.689 1.00 18.82 H new ATOM 0 HG13 VAL A 736 2.204 27.970 58.373 1.00 18.82 H new ATOM 0 HG21 VAL A 736 2.667 25.361 56.999 1.00 17.22 H new ATOM 0 HG22 VAL A 736 1.210 25.966 57.137 1.00 17.22 H new ATOM 0 HG23 VAL A 736 1.780 25.593 55.707 1.00 17.22 H new ATOM 527 N ILE A 737 0.259 27.022 54.151 1.00 14.51 N ATOM 528 CA ILE A 737 -0.061 26.603 52.795 1.00 14.40 C ATOM 529 C ILE A 737 -0.606 27.804 52.021 1.00 13.80 C ATOM 530 O ILE A 737 -0.219 28.044 50.879 1.00 14.74 O ATOM 531 CB ILE A 737 -1.116 25.473 52.779 1.00 14.32 C ATOM 532 CG1 ILE A 737 -0.536 24.202 53.406 1.00 15.23 C ATOM 533 CG2 ILE A 737 -1.553 25.198 51.344 1.00 15.13 C ATOM 534 CD1 ILE A 737 -1.584 23.131 53.699 1.00 14.81 C ATOM 0 H ILE A 737 -0.241 26.692 54.768 1.00 14.51 H new ATOM 0 HA ILE A 737 0.749 26.264 52.384 1.00 14.40 H new ATOM 0 HB ILE A 737 -1.887 25.751 53.298 1.00 14.32 H new ATOM 0 HG12 ILE A 737 0.134 23.833 52.810 1.00 15.23 H new ATOM 0 HG13 ILE A 737 -0.083 24.435 54.232 1.00 15.23 H new ATOM 0 HG21 ILE A 737 -2.215 24.489 51.337 1.00 15.13 H new ATOM 0 HG22 ILE A 737 -1.938 26.003 50.963 1.00 15.13 H new ATOM 0 HG23 ILE A 737 -0.784 24.927 50.818 1.00 15.13 H new ATOM 0 HD11 ILE A 737 -1.154 22.356 54.093 1.00 14.81 H new ATOM 0 HD12 ILE A 737 -2.243 23.484 54.317 1.00 14.81 H new ATOM 0 HD13 ILE A 737 -2.022 22.872 52.873 1.00 14.81 H new ATOM 535 N GLN A 738 -1.495 28.570 52.649 1.00 14.47 N ATOM 536 CA GLN A 738 -2.081 29.726 51.981 1.00 15.66 C ATOM 537 C GLN A 738 -1.074 30.832 51.667 1.00 15.34 C ATOM 538 O GLN A 738 -1.283 31.615 50.742 1.00 16.82 O ATOM 539 CB GLN A 738 -3.247 30.286 52.803 1.00 19.18 C ATOM 540 CG GLN A 738 -4.402 29.300 52.938 1.00 22.75 C ATOM 541 CD GLN A 738 -5.565 29.846 53.743 1.00 25.47 C ATOM 542 OE1 GLN A 738 -6.496 30.437 53.194 1.00 26.94 O ATOM 543 NE2 GLN A 738 -5.511 29.657 55.054 1.00 27.10 N ATOM 0 H GLN A 738 -1.769 28.439 53.453 1.00 14.47 H new ATOM 0 HA GLN A 738 -2.406 29.405 51.125 1.00 15.66 H new ATOM 0 HB2 GLN A 738 -2.928 30.527 53.687 1.00 19.18 H new ATOM 0 HB3 GLN A 738 -3.569 31.100 52.386 1.00 19.18 H new ATOM 0 HG2 GLN A 738 -4.716 29.056 52.053 1.00 22.75 H new ATOM 0 HG3 GLN A 738 -4.078 28.488 53.359 1.00 22.75 H new ATOM 0 HE21 GLN A 738 -4.844 29.239 55.401 1.00 27.10 H new ATOM 0 HE22 GLN A 738 -6.143 29.952 55.557 1.00 27.10 H new ATOM 544 N TYR A 739 0.024 30.898 52.419 1.00 14.42 N ATOM 545 CA TYR A 739 1.028 31.925 52.151 1.00 14.75 C ATOM 546 C TYR A 739 2.114 31.467 51.190 1.00 15.14 C ATOM 547 O TYR A 739 2.636 32.270 50.414 1.00 15.80 O ATOM 548 CB TYR A 739 1.735 32.378 53.433 1.00 15.96 C ATOM 549 CG TYR A 739 0.842 32.915 54.521 1.00 17.89 C ATOM 550 CD1 TYR A 739 -0.259 33.717 54.221 1.00 21.02 C ATOM 551 CD2 TYR A 739 1.118 32.644 55.859 1.00 19.56 C ATOM 552 CE1 TYR A 739 -1.068 34.234 55.236 1.00 22.94 C ATOM 553 CE2 TYR A 739 0.323 33.157 56.877 1.00 22.94 C ATOM 554 CZ TYR A 739 -0.767 33.949 56.559 1.00 23.07 C ATOM 555 OH TYR A 739 -1.549 34.461 57.570 1.00 27.93 O ATOM 0 H TYR A 739 0.204 30.371 53.074 1.00 14.42 H new ATOM 0 HA TYR A 739 0.526 32.653 51.752 1.00 14.75 H new ATOM 0 HB2 TYR A 739 2.234 31.627 53.789 1.00 15.96 H new ATOM 0 HB3 TYR A 739 2.381 33.063 53.201 1.00 15.96 H new ATOM 0 HD1 TYR A 739 -0.457 33.910 53.333 1.00 21.02 H new ATOM 0 HD2 TYR A 739 1.848 32.110 56.075 1.00 19.56 H new ATOM 0 HE1 TYR A 739 -1.802 34.765 55.026 1.00 22.94 H new ATOM 0 HE2 TYR A 739 0.522 32.969 57.766 1.00 22.94 H new ATOM 0 HH TYR A 739 -2.337 34.556 57.295 1.00 27.93 H new ATOM 556 N SER A 740 2.446 30.180 51.228 1.00 14.74 N ATOM 557 CA SER A 740 3.533 29.666 50.400 1.00 14.84 C ATOM 558 C SER A 740 3.212 28.961 49.096 1.00 14.42 C ATOM 559 O SER A 740 4.135 28.580 48.373 1.00 14.79 O ATOM 560 CB SER A 740 4.406 28.733 51.237 1.00 16.37 C ATOM 561 OG ASER A 740 3.686 27.567 51.602 0.50 18.36 O ATOM 562 OG BSER A 740 5.090 29.462 52.243 0.50 19.78 O ATOM 0 H SER A 740 2.058 29.592 51.722 1.00 14.74 H new ATOM 0 HA SER A 740 3.968 30.484 50.111 1.00 14.84 H new ATOM 0 HB2ASER A 740 5.198 28.486 50.734 0.50 16.37 H new ATOM 0 HB2BSER A 740 3.856 28.046 51.645 0.50 16.37 H new ATOM 0 HB3ASER A 740 4.709 29.195 52.034 0.50 16.37 H new ATOM 0 HB3BSER A 740 5.046 28.281 50.665 0.50 16.37 H new ATOM 0 HG ASER A 740 3.011 27.784 52.053 0.50 19.78 H new ATOM 0 HG BSER A 740 5.836 29.105 52.389 0.50 19.78 H new ATOM 563 N TRP A 741 1.936 28.788 48.767 1.00 13.80 N ATOM 564 CA TRP A 741 1.615 28.068 47.541 1.00 14.25 C ATOM 565 C TRP A 741 2.236 28.632 46.266 1.00 13.94 C ATOM 566 O TRP A 741 2.646 27.865 45.399 1.00 14.09 O ATOM 567 CB TRP A 741 0.093 27.922 47.354 1.00 14.83 C ATOM 568 CG TRP A 741 -0.656 29.202 47.239 1.00 16.14 C ATOM 569 CD1 TRP A 741 -1.184 29.936 48.261 1.00 17.59 C ATOM 570 CD2 TRP A 741 -0.945 29.925 46.033 1.00 15.93 C ATOM 571 NE1 TRP A 741 -1.782 31.073 47.769 1.00 19.00 N ATOM 572 CE2 TRP A 741 -1.649 31.093 46.405 1.00 17.69 C ATOM 573 CE3 TRP A 741 -0.676 29.701 44.675 1.00 16.49 C ATOM 574 CZ2 TRP A 741 -2.089 32.036 45.467 1.00 17.92 C ATOM 575 CZ3 TRP A 741 -1.112 30.637 43.741 1.00 16.49 C ATOM 576 CH2 TRP A 741 -1.811 31.794 44.145 1.00 16.98 C ATOM 0 H TRP A 741 1.262 29.069 49.222 1.00 13.80 H new ATOM 0 HA TRP A 741 2.024 27.198 47.672 1.00 14.25 H new ATOM 0 HB2 TRP A 741 -0.071 27.395 46.557 1.00 14.83 H new ATOM 0 HB3 TRP A 741 -0.264 27.421 48.104 1.00 14.83 H new ATOM 0 HD1 TRP A 741 -1.145 29.702 49.160 1.00 17.59 H new ATOM 0 HE1 TRP A 741 -2.176 31.674 48.241 1.00 19.00 H new ATOM 0 HE3 TRP A 741 -0.215 28.941 44.403 1.00 16.49 H new ATOM 0 HZ2 TRP A 741 -2.552 32.798 45.730 1.00 17.92 H new ATOM 0 HZ3 TRP A 741 -0.940 30.498 42.838 1.00 16.49 H new ATOM 0 HH2 TRP A 741 -2.089 32.406 43.502 1.00 16.98 H new ATOM 577 N MET A 742 2.326 29.952 46.140 1.00 14.76 N ATOM 578 CA MET A 742 2.903 30.530 44.930 1.00 14.25 C ATOM 579 C MET A 742 4.364 30.110 44.764 1.00 14.11 C ATOM 580 O MET A 742 4.760 29.642 43.702 1.00 14.58 O ATOM 581 CB MET A 742 2.807 32.056 44.957 1.00 14.05 C ATOM 582 CG MET A 742 3.288 32.734 43.669 1.00 13.78 C ATOM 583 SD MET A 742 2.178 32.525 42.252 1.00 15.73 S ATOM 584 CE MET A 742 0.961 33.811 42.614 1.00 15.53 C ATOM 0 H MET A 742 2.065 30.521 46.730 1.00 14.76 H new ATOM 0 HA MET A 742 2.394 30.195 44.175 1.00 14.25 H new ATOM 0 HB2 MET A 742 1.885 32.310 45.120 1.00 14.05 H new ATOM 0 HB3 MET A 742 3.330 32.391 45.702 1.00 14.05 H new ATOM 0 HG2 MET A 742 3.402 33.682 43.839 1.00 13.78 H new ATOM 0 HG3 MET A 742 4.161 32.380 43.437 1.00 13.78 H new ATOM 0 HE1 MET A 742 0.069 33.430 42.588 1.00 15.53 H new ATOM 0 HE2 MET A 742 1.130 34.177 43.496 1.00 15.53 H new ATOM 0 HE3 MET A 742 1.030 34.517 41.953 1.00 15.53 H new ATOM 585 N GLY A 743 5.158 30.280 45.815 1.00 13.79 N ATOM 586 CA GLY A 743 6.560 29.899 45.735 1.00 14.22 C ATOM 587 C GLY A 743 6.734 28.410 45.486 1.00 15.36 C ATOM 588 O GLY A 743 7.575 28.001 44.680 1.00 15.59 O ATOM 0 H GLY A 743 4.910 30.608 46.570 1.00 13.79 H new ATOM 0 HA2 GLY A 743 6.989 30.397 45.022 1.00 14.22 H new ATOM 0 HA3 GLY A 743 7.008 30.142 46.560 1.00 14.22 H new ATOM 589 N LEU A 744 5.943 27.596 46.181 1.00 13.81 N ATOM 590 CA LEU A 744 6.002 26.144 46.029 1.00 14.55 C ATOM 591 C LEU A 744 5.719 25.729 44.594 1.00 14.59 C ATOM 592 O LEU A 744 6.430 24.905 44.016 1.00 15.30 O ATOM 593 CB LEU A 744 4.971 25.468 46.940 1.00 15.85 C ATOM 594 CG LEU A 744 5.256 25.393 48.439 1.00 17.11 C ATOM 595 CD1 LEU A 744 3.986 25.027 49.186 1.00 16.56 C ATOM 596 CD2 LEU A 744 6.348 24.365 48.694 1.00 17.50 C ATOM 0 H LEU A 744 5.360 27.868 46.751 1.00 13.81 H new ATOM 0 HA LEU A 744 6.898 25.865 46.274 1.00 14.55 H new ATOM 0 HB2 LEU A 744 4.127 25.931 46.824 1.00 15.85 H new ATOM 0 HB3 LEU A 744 4.844 24.562 46.619 1.00 15.85 H new ATOM 0 HG LEU A 744 5.560 26.257 48.759 1.00 17.11 H new ATOM 0 HD11 LEU A 744 4.172 24.981 50.137 1.00 16.56 H new ATOM 0 HD12 LEU A 744 3.308 25.701 49.022 1.00 16.56 H new ATOM 0 HD13 LEU A 744 3.666 24.165 48.877 1.00 16.56 H new ATOM 0 HD21 LEU A 744 6.531 24.316 49.645 1.00 17.50 H new ATOM 0 HD22 LEU A 744 6.056 23.496 48.376 1.00 17.50 H new ATOM 0 HD23 LEU A 744 7.155 24.626 48.223 1.00 17.50 H new ATOM 597 N MET A 745 4.664 26.299 44.025 1.00 14.48 N ATOM 598 CA MET A 745 4.272 25.956 42.666 1.00 14.55 C ATOM 599 C MET A 745 5.238 26.461 41.607 1.00 13.49 C ATOM 600 O MET A 745 5.452 25.793 40.596 1.00 15.23 O ATOM 601 CB MET A 745 2.865 26.473 42.383 1.00 14.75 C ATOM 602 CG MET A 745 1.800 25.750 43.183 1.00 14.66 C ATOM 603 SD MET A 745 0.171 26.419 42.821 1.00 15.49 S ATOM 604 CE MET A 745 -0.817 25.591 44.048 1.00 17.67 C ATOM 0 H MET A 745 4.164 26.885 44.407 1.00 14.48 H new ATOM 0 HA MET A 745 4.291 24.988 42.611 1.00 14.55 H new ATOM 0 HB2 MET A 745 2.827 27.421 42.585 1.00 14.75 H new ATOM 0 HB3 MET A 745 2.674 26.376 41.437 1.00 14.75 H new ATOM 0 HG2 MET A 745 1.819 24.803 42.975 1.00 14.66 H new ATOM 0 HG3 MET A 745 1.987 25.836 44.131 1.00 14.66 H new ATOM 0 HE1 MET A 745 -1.694 26.003 44.089 1.00 17.67 H new ATOM 0 HE2 MET A 745 -0.911 24.655 43.811 1.00 17.67 H new ATOM 0 HE3 MET A 745 -0.385 25.663 44.914 1.00 17.67 H new ATOM 605 N VAL A 746 5.816 27.636 41.828 1.00 14.39 N ATOM 606 CA VAL A 746 6.780 28.186 40.878 1.00 13.54 C ATOM 607 C VAL A 746 8.051 27.327 40.895 1.00 14.79 C ATOM 608 O VAL A 746 8.613 26.997 39.848 1.00 14.82 O ATOM 609 CB VAL A 746 7.120 29.651 41.238 1.00 14.59 C ATOM 610 CG1 VAL A 746 8.361 30.115 40.486 1.00 15.13 C ATOM 611 CG2 VAL A 746 5.933 30.544 40.899 1.00 15.26 C ATOM 0 H VAL A 746 5.666 28.129 42.517 1.00 14.39 H new ATOM 0 HA VAL A 746 6.393 28.175 39.988 1.00 13.54 H new ATOM 0 HB VAL A 746 7.305 29.708 42.189 1.00 14.59 H new ATOM 0 HG11 VAL A 746 8.559 31.034 40.724 1.00 15.13 H new ATOM 0 HG12 VAL A 746 9.113 29.551 40.724 1.00 15.13 H new ATOM 0 HG13 VAL A 746 8.202 30.056 39.531 1.00 15.13 H new ATOM 0 HG21 VAL A 746 6.145 31.463 41.124 1.00 15.26 H new ATOM 0 HG22 VAL A 746 5.740 30.480 39.950 1.00 15.26 H new ATOM 0 HG23 VAL A 746 5.157 30.258 41.406 1.00 15.26 H new ATOM 612 N PHE A 747 8.493 26.955 42.091 1.00 13.69 N ATOM 613 CA PHE A 747 9.693 26.131 42.235 1.00 14.39 C ATOM 614 C PHE A 747 9.500 24.790 41.519 1.00 14.86 C ATOM 615 O PHE A 747 10.372 24.342 40.767 1.00 14.24 O ATOM 616 CB PHE A 747 9.978 25.902 43.724 1.00 14.11 C ATOM 617 CG PHE A 747 11.354 25.347 44.016 1.00 13.33 C ATOM 618 CD1 PHE A 747 12.494 26.112 43.792 1.00 14.05 C ATOM 619 CD2 PHE A 747 11.499 24.072 44.551 1.00 13.65 C ATOM 620 CE1 PHE A 747 13.762 25.610 44.102 1.00 15.26 C ATOM 621 CE2 PHE A 747 12.763 23.562 44.864 1.00 14.35 C ATOM 622 CZ PHE A 747 13.894 24.339 44.638 1.00 15.07 C ATOM 0 H PHE A 747 8.114 27.168 42.833 1.00 13.69 H new ATOM 0 HA PHE A 747 10.448 26.589 41.833 1.00 14.39 H new ATOM 0 HB2 PHE A 747 9.873 26.743 44.196 1.00 14.11 H new ATOM 0 HB3 PHE A 747 9.313 25.292 44.080 1.00 14.11 H new ATOM 0 HD1 PHE A 747 12.412 26.966 43.433 1.00 14.05 H new ATOM 0 HD2 PHE A 747 10.744 23.550 44.703 1.00 13.65 H new ATOM 0 HE1 PHE A 747 14.518 26.130 43.948 1.00 15.26 H new ATOM 0 HE2 PHE A 747 12.847 22.708 45.221 1.00 14.35 H new ATOM 0 HZ PHE A 747 14.737 24.006 44.846 1.00 15.07 H new ATOM 623 N ALA A 748 8.357 24.150 41.751 1.00 13.51 N ATOM 624 CA ALA A 748 8.069 22.865 41.121 1.00 14.23 C ATOM 625 C ALA A 748 7.977 23.012 39.604 1.00 14.03 C ATOM 626 O ALA A 748 8.438 22.143 38.864 1.00 15.50 O ATOM 627 CB ALA A 748 6.762 22.285 41.669 1.00 14.81 C ATOM 0 H ALA A 748 7.736 24.442 42.269 1.00 13.51 H new ATOM 0 HA ALA A 748 8.797 22.258 41.328 1.00 14.23 H new ATOM 0 HB1 ALA A 748 6.582 21.432 41.243 1.00 14.81 H new ATOM 0 HB2 ALA A 748 6.841 22.157 42.627 1.00 14.81 H new ATOM 0 HB3 ALA A 748 6.033 22.898 41.485 1.00 14.81 H new ATOM 628 N MET A 749 7.380 24.108 39.141 1.00 14.20 N ATOM 629 CA MET A 749 7.239 24.335 37.702 1.00 13.62 C ATOM 630 C MET A 749 8.623 24.509 37.076 1.00 15.39 C ATOM 631 O MET A 749 8.888 24.006 35.979 1.00 16.04 O ATOM 632 CB MET A 749 6.352 25.563 37.456 1.00 14.57 C ATOM 633 CG MET A 749 6.008 25.828 35.992 1.00 15.63 C ATOM 634 SD MET A 749 7.297 26.735 35.128 1.00 17.66 S ATOM 635 CE MET A 749 7.081 28.344 35.869 1.00 19.37 C ATOM 0 H MET A 749 7.052 24.729 39.638 1.00 14.20 H new ATOM 0 HA MET A 749 6.812 23.570 37.285 1.00 13.62 H new ATOM 0 HB2 MET A 749 5.526 25.454 37.953 1.00 14.57 H new ATOM 0 HB3 MET A 749 6.799 26.345 37.816 1.00 14.57 H new ATOM 0 HG2 MET A 749 5.856 24.983 35.542 1.00 15.63 H new ATOM 0 HG3 MET A 749 5.178 26.328 35.944 1.00 15.63 H new ATOM 0 HE1 MET A 749 7.245 29.031 35.204 1.00 19.37 H new ATOM 0 HE2 MET A 749 6.174 28.427 36.203 1.00 19.37 H new ATOM 0 HE3 MET A 749 7.707 28.449 36.603 1.00 19.37 H new ATOM 636 N GLY A 750 9.508 25.207 37.780 1.00 15.37 N ATOM 637 CA GLY A 750 10.856 25.400 37.270 1.00 14.66 C ATOM 638 C GLY A 750 11.573 24.067 37.124 1.00 14.88 C ATOM 639 O GLY A 750 12.320 23.855 36.168 1.00 15.71 O ATOM 0 H GLY A 750 9.350 25.571 38.543 1.00 15.37 H new ATOM 0 HA2 GLY A 750 10.820 25.849 36.411 1.00 14.66 H new ATOM 0 HA3 GLY A 750 11.354 25.976 37.870 1.00 14.66 H new ATOM 640 N TRP A 751 11.355 23.169 38.078 1.00 14.76 N ATOM 641 CA TRP A 751 11.973 21.848 38.032 1.00 15.41 C ATOM 642 C TRP A 751 11.405 21.061 36.849 1.00 17.07 C ATOM 643 O TRP A 751 12.148 20.407 36.117 1.00 17.05 O ATOM 644 CB TRP A 751 11.729 21.109 39.352 1.00 14.85 C ATOM 645 CG TRP A 751 12.262 19.704 39.398 1.00 14.29 C ATOM 646 CD1 TRP A 751 11.532 18.557 39.363 1.00 15.52 C ATOM 647 CD2 TRP A 751 13.637 19.303 39.517 1.00 16.04 C ATOM 648 NE1 TRP A 751 12.360 17.461 39.458 1.00 17.24 N ATOM 649 CE2 TRP A 751 13.658 17.892 39.554 1.00 15.98 C ATOM 650 CE3 TRP A 751 14.851 19.998 39.598 1.00 17.38 C ATOM 651 CZ2 TRP A 751 14.845 17.158 39.669 1.00 16.48 C ATOM 652 CZ3 TRP A 751 16.037 19.268 39.713 1.00 17.33 C ATOM 653 CH2 TRP A 751 16.021 17.861 39.747 1.00 17.21 C ATOM 0 H TRP A 751 10.852 23.305 38.762 1.00 14.76 H new ATOM 0 HA TRP A 751 12.931 21.940 37.912 1.00 15.41 H new ATOM 0 HB2 TRP A 751 12.133 21.618 40.072 1.00 14.85 H new ATOM 0 HB3 TRP A 751 10.774 21.085 39.522 1.00 14.85 H new ATOM 0 HD1 TRP A 751 10.606 18.518 39.286 1.00 15.52 H new ATOM 0 HE1 TRP A 751 12.105 16.640 39.457 1.00 17.24 H new ATOM 0 HE3 TRP A 751 14.867 20.928 39.576 1.00 17.38 H new ATOM 0 HZ2 TRP A 751 14.837 16.228 39.692 1.00 16.48 H new ATOM 0 HZ3 TRP A 751 16.849 19.718 39.768 1.00 17.33 H new ATOM 0 HH2 TRP A 751 16.824 17.398 39.824 1.00 17.21 H new ATOM 654 N ARG A 752 10.088 21.126 36.655 1.00 17.01 N ATOM 655 CA ARG A 752 9.453 20.427 35.532 1.00 18.25 C ATOM 656 C ARG A 752 10.003 20.938 34.207 1.00 17.41 C ATOM 657 O ARG A 752 10.232 20.165 33.271 1.00 18.40 O ATOM 658 CB ARG A 752 7.936 20.651 35.522 1.00 18.46 C ATOM 659 CG ARG A 752 7.154 19.863 36.544 1.00 20.44 C ATOM 660 CD ARG A 752 5.677 19.839 36.168 1.00 18.10 C ATOM 661 NE ARG A 752 5.028 21.149 36.223 1.00 17.04 N ATOM 662 CZ ARG A 752 4.693 21.778 37.350 1.00 17.47 C ATOM 663 NH1 ARG A 752 4.951 21.225 38.529 1.00 18.08 N ATOM 664 NH2 ARG A 752 4.068 22.946 37.301 1.00 17.55 N ATOM 0 H ARG A 752 9.546 21.566 37.157 1.00 17.01 H new ATOM 0 HA ARG A 752 9.646 19.483 35.642 1.00 18.25 H new ATOM 0 HB2 ARG A 752 7.764 21.595 35.664 1.00 18.46 H new ATOM 0 HB3 ARG A 752 7.598 20.431 34.640 1.00 18.46 H new ATOM 0 HG2 ARG A 752 7.497 18.957 36.596 1.00 20.44 H new ATOM 0 HG3 ARG A 752 7.265 20.259 37.422 1.00 20.44 H new ATOM 0 HD2 ARG A 752 5.587 19.481 35.271 1.00 18.10 H new ATOM 0 HD3 ARG A 752 5.211 19.232 36.764 1.00 18.10 H new ATOM 0 HE ARG A 752 4.850 21.540 35.478 1.00 17.04 H new ATOM 0 HH11 ARG A 752 5.336 20.457 38.569 1.00 18.08 H new ATOM 0 HH12 ARG A 752 4.733 21.635 39.253 1.00 18.08 H new ATOM 0 HH21 ARG A 752 3.877 23.300 36.541 1.00 17.55 H new ATOM 0 HH22 ARG A 752 3.853 23.350 38.029 1.00 17.55 H new ATOM 665 N SER A 753 10.189 22.249 34.124 1.00 16.42 N ATOM 666 CA SER A 753 10.698 22.866 32.910 1.00 16.78 C ATOM 667 C SER A 753 12.102 22.371 32.606 1.00 19.08 C ATOM 668 O SER A 753 12.437 22.090 31.454 1.00 19.46 O ATOM 669 CB SER A 753 10.691 24.383 33.060 1.00 18.53 C ATOM 670 OG SER A 753 9.367 24.840 33.297 1.00 17.75 O ATOM 0 H SER A 753 10.025 22.800 34.763 1.00 16.42 H new ATOM 0 HA SER A 753 10.123 22.619 32.169 1.00 16.78 H new ATOM 0 HB2 SER A 753 11.268 24.646 33.794 1.00 18.53 H new ATOM 0 HB3 SER A 753 11.046 24.797 32.258 1.00 18.53 H new ATOM 0 HG SER A 753 9.135 24.634 34.078 1.00 17.75 H new ATOM 671 N PHE A 754 12.920 22.254 33.644 1.00 18.18 N ATOM 672 CA PHE A 754 14.288 21.790 33.461 1.00 20.44 C ATOM 673 C PHE A 754 14.351 20.321 33.057 1.00 20.61 C ATOM 674 O PHE A 754 15.032 19.961 32.092 1.00 21.84 O ATOM 675 CB PHE A 754 15.094 21.986 34.744 1.00 20.98 C ATOM 676 CG PHE A 754 16.429 21.304 34.713 1.00 23.88 C ATOM 677 CD1 PHE A 754 17.393 21.685 33.786 1.00 25.69 C ATOM 678 CD2 PHE A 754 16.697 20.241 35.564 1.00 26.42 C ATOM 679 CE1 PHE A 754 18.610 21.006 33.703 1.00 27.21 C ATOM 680 CE2 PHE A 754 17.911 19.557 35.489 1.00 26.84 C ATOM 681 CZ PHE A 754 18.864 19.942 34.556 1.00 25.86 C ATOM 0 H PHE A 754 12.705 22.437 34.456 1.00 18.18 H new ATOM 0 HA PHE A 754 14.668 22.320 32.743 1.00 20.44 H new ATOM 0 HB2 PHE A 754 15.226 22.935 34.894 1.00 20.98 H new ATOM 0 HB3 PHE A 754 14.582 21.648 35.495 1.00 20.98 H new ATOM 0 HD1 PHE A 754 17.225 22.400 33.215 1.00 25.69 H new ATOM 0 HD2 PHE A 754 16.061 19.982 36.191 1.00 26.42 H new ATOM 0 HE1 PHE A 754 19.248 21.266 33.078 1.00 27.21 H new ATOM 0 HE2 PHE A 754 18.081 18.845 36.063 1.00 26.84 H new ATOM 0 HZ PHE A 754 19.673 19.486 34.503 1.00 25.86 H new ATOM 682 N THR A 755 13.635 19.474 33.787 1.00 20.98 N ATOM 683 CA THR A 755 13.646 18.041 33.512 1.00 22.70 C ATOM 684 C THR A 755 12.940 17.613 32.230 1.00 23.35 C ATOM 685 O THR A 755 13.377 16.670 31.570 1.00 23.27 O ATOM 686 CB THR A 755 13.027 17.232 34.676 1.00 25.28 C ATOM 687 OG1 THR A 755 11.640 17.566 34.814 1.00 26.83 O ATOM 688 CG2 THR A 755 13.755 17.531 35.979 1.00 24.64 C ATOM 0 H THR A 755 13.135 19.708 34.447 1.00 20.98 H new ATOM 0 HA THR A 755 14.590 17.848 33.403 1.00 22.70 H new ATOM 0 HB THR A 755 13.116 16.287 34.478 1.00 25.28 H new ATOM 0 HG1 THR A 755 11.568 18.333 35.149 1.00 26.83 H new ATOM 0 HG21 THR A 755 13.356 17.017 36.698 1.00 24.64 H new ATOM 0 HG22 THR A 755 14.690 17.290 35.890 1.00 24.64 H new ATOM 0 HG23 THR A 755 13.683 18.477 36.180 1.00 24.64 H new ATOM 689 N ASN A 756 11.860 18.294 31.863 1.00 21.71 N ATOM 690 CA ASN A 756 11.123 17.894 30.673 1.00 21.86 C ATOM 691 C ASN A 756 11.538 18.556 29.367 1.00 22.37 C ATOM 692 O ASN A 756 11.538 17.905 28.320 1.00 23.82 O ATOM 693 CB ASN A 756 9.616 18.095 30.893 1.00 23.70 C ATOM 694 CG ASN A 756 9.094 17.329 32.096 1.00 26.08 C ATOM 695 OD1 ASN A 756 9.555 16.227 32.393 1.00 30.78 O ATOM 696 ND2 ASN A 756 8.117 17.904 32.786 1.00 27.21 N ATOM 0 H ASN A 756 11.543 18.976 32.280 1.00 21.71 H new ATOM 0 HA ASN A 756 11.348 16.957 30.559 1.00 21.86 H new ATOM 0 HB2 ASN A 756 9.433 19.040 31.012 1.00 23.70 H new ATOM 0 HB3 ASN A 756 9.136 17.811 30.100 1.00 23.70 H new ATOM 0 HD21 ASN A 756 7.781 17.505 33.470 1.00 27.21 H new ATOM 0 HD22 ASN A 756 7.820 18.675 32.549 1.00 27.21 H new ATOM 697 N VAL A 757 11.901 19.834 29.412 1.00 22.58 N ATOM 698 CA VAL A 757 12.280 20.534 28.189 1.00 21.68 C ATOM 699 C VAL A 757 13.580 21.332 28.261 1.00 22.19 C ATOM 700 O VAL A 757 13.809 22.230 27.453 1.00 22.38 O ATOM 701 CB VAL A 757 11.138 21.473 27.724 1.00 21.92 C ATOM 702 CG1 VAL A 757 9.920 20.648 27.337 1.00 22.63 C ATOM 703 CG2 VAL A 757 10.770 22.448 28.834 1.00 21.37 C ATOM 0 H VAL A 757 11.935 20.308 30.129 1.00 22.58 H new ATOM 0 HA VAL A 757 12.439 19.824 27.548 1.00 21.68 H new ATOM 0 HB VAL A 757 11.442 21.978 26.954 1.00 21.92 H new ATOM 0 HG11 VAL A 757 9.208 21.239 27.047 1.00 22.63 H new ATOM 0 HG12 VAL A 757 10.154 20.045 26.614 1.00 22.63 H new ATOM 0 HG13 VAL A 757 9.621 20.134 28.103 1.00 22.63 H new ATOM 0 HG21 VAL A 757 10.055 23.029 28.531 1.00 21.37 H new ATOM 0 HG22 VAL A 757 10.475 21.954 29.615 1.00 21.37 H new ATOM 0 HG23 VAL A 757 11.545 22.983 29.065 1.00 21.37 H new ATOM 704 N ASN A 758 14.433 20.996 29.224 1.00 23.03 N ATOM 705 CA ASN A 758 15.717 21.670 29.388 1.00 24.67 C ATOM 706 C ASN A 758 15.598 23.194 29.406 1.00 24.63 C ATOM 707 O ASN A 758 16.418 23.901 28.822 1.00 25.32 O ATOM 708 CB ASN A 758 16.679 21.221 28.278 1.00 28.59 C ATOM 709 CG ASN A 758 18.119 21.635 28.543 1.00 31.63 C ATOM 710 OD1 ASN A 758 18.529 21.811 29.693 1.00 33.63 O ATOM 711 ND2 ASN A 758 18.900 21.770 27.476 1.00 34.66 N ATOM 0 H ASN A 758 14.285 20.374 29.799 1.00 23.03 H new ATOM 0 HA ASN A 758 16.066 21.414 30.256 1.00 24.67 H new ATOM 0 HB2 ASN A 758 16.635 20.256 28.189 1.00 28.59 H new ATOM 0 HB3 ASN A 758 16.389 21.598 27.432 1.00 28.59 H new ATOM 0 HD21 ASN A 758 19.726 21.988 27.573 1.00 34.66 H new ATOM 0 HD22 ASN A 758 18.579 21.639 26.689 1.00 34.66 H new ATOM 712 N SER A 759 14.563 23.689 30.084 1.00 24.35 N ATOM 713 CA SER A 759 14.318 25.124 30.226 1.00 25.07 C ATOM 714 C SER A 759 14.021 25.870 28.930 1.00 24.68 C ATOM 715 O SER A 759 14.073 27.103 28.898 1.00 26.06 O ATOM 716 CB SER A 759 15.514 25.796 30.911 1.00 26.65 C ATOM 717 OG SER A 759 15.880 25.108 32.091 1.00 27.89 O ATOM 0 H SER A 759 13.978 23.197 30.478 1.00 24.35 H new ATOM 0 HA SER A 759 13.512 25.181 30.762 1.00 25.07 H new ATOM 0 HB2 SER A 759 16.268 25.820 30.301 1.00 26.65 H new ATOM 0 HB3 SER A 759 15.292 26.716 31.125 1.00 26.65 H new ATOM 0 HG SER A 759 15.248 25.143 32.643 1.00 27.89 H new ATOM 718 N ARG A 760 13.710 25.141 27.864 1.00 24.50 N ATOM 719 CA ARG A 760 13.419 25.781 26.587 1.00 24.67 C ATOM 720 C ARG A 760 12.065 26.483 26.627 1.00 23.44 C ATOM 721 O ARG A 760 11.820 27.424 25.872 1.00 24.62 O ATOM 722 CB ARG A 760 13.446 24.747 25.460 1.00 26.06 C ATOM 723 CG ARG A 760 14.766 24.009 25.345 1.00 32.06 C ATOM 724 CD ARG A 760 15.902 24.985 25.166 1.00 36.55 C ATOM 725 NE ARG A 760 15.735 25.779 23.955 1.00 40.23 N ATOM 726 CZ ARG A 760 16.467 26.847 23.669 1.00 41.45 C ATOM 727 NH1 ARG A 760 17.408 27.240 24.516 1.00 42.43 N ATOM 728 NH2 ARG A 760 16.264 27.515 22.542 1.00 42.16 N ATOM 0 H ARG A 760 13.662 24.282 27.858 1.00 24.50 H new ATOM 0 HA ARG A 760 14.102 26.449 26.418 1.00 24.67 H new ATOM 0 HB2 ARG A 760 12.735 24.103 25.605 1.00 26.06 H new ATOM 0 HB3 ARG A 760 13.258 25.192 24.619 1.00 26.06 H new ATOM 0 HG2 ARG A 760 14.914 23.474 26.140 1.00 32.06 H new ATOM 0 HG3 ARG A 760 14.736 23.397 24.593 1.00 32.06 H new ATOM 0 HD2 ARG A 760 15.950 25.573 25.936 1.00 36.55 H new ATOM 0 HD3 ARG A 760 16.742 24.502 25.125 1.00 36.55 H new ATOM 0 HE ARG A 760 15.128 25.541 23.395 1.00 40.23 H new ATOM 0 HH11 ARG A 760 17.540 26.803 25.245 1.00 42.43 H new ATOM 0 HH12 ARG A 760 17.886 27.932 24.337 1.00 42.43 H new ATOM 0 HH21 ARG A 760 15.655 27.256 21.992 1.00 42.16 H new ATOM 0 HH22 ARG A 760 16.741 28.207 22.361 1.00 42.16 H new ATOM 729 N MET A 761 11.191 26.010 27.510 1.00 21.45 N ATOM 730 CA MET A 761 9.862 26.587 27.683 1.00 19.87 C ATOM 731 C MET A 761 9.461 26.403 29.143 1.00 18.76 C ATOM 732 O MET A 761 10.108 25.652 29.879 1.00 16.61 O ATOM 733 CB MET A 761 8.827 25.878 26.799 1.00 22.00 C ATOM 734 CG AMET A 761 9.127 25.946 25.308 0.50 23.15 C ATOM 735 CG BMET A 761 9.144 25.856 25.310 0.50 25.62 C ATOM 736 SD AMET A 761 7.881 25.098 24.319 0.50 23.89 S ATOM 737 SD BMET A 761 9.881 24.295 24.794 0.50 30.63 S ATOM 738 CE AMET A 761 8.406 23.394 24.510 0.50 24.97 C ATOM 739 CE BMET A 761 8.409 23.271 24.667 0.50 29.20 C ATOM 0 H MET A 761 11.353 25.343 28.028 1.00 21.45 H new ATOM 0 HA MET A 761 9.887 27.523 27.431 1.00 19.87 H new ATOM 0 HB2AMET A 761 8.773 24.947 27.065 0.50 22.00 H new ATOM 0 HB2BMET A 761 8.733 24.963 27.108 0.50 22.00 H new ATOM 0 HB3AMET A 761 7.955 26.271 26.961 0.50 22.00 H new ATOM 0 HB3BMET A 761 7.967 26.309 26.925 0.50 22.00 H new ATOM 0 HG2AMET A 761 9.178 26.875 25.033 0.50 25.62 H new ATOM 0 HG2BMET A 761 8.330 26.010 24.805 0.50 25.62 H new ATOM 0 HG3AMET A 761 9.996 25.551 25.137 0.50 25.62 H new ATOM 0 HG3BMET A 761 9.750 26.583 25.099 0.50 25.62 H new ATOM 0 HE1AMET A 761 7.780 22.809 24.055 0.50 29.20 H new ATOM 0 HE1BMET A 761 8.506 22.656 23.923 0.50 29.20 H new ATOM 0 HE2AMET A 761 9.290 23.282 24.126 0.50 29.20 H new ATOM 0 HE2BMET A 761 8.292 22.769 25.489 0.50 29.20 H new ATOM 0 HE3AMET A 761 8.433 23.167 25.453 0.50 29.20 H new ATOM 0 HE3BMET A 761 7.634 23.835 24.520 0.50 29.20 H new ATOM 740 N LEU A 762 8.403 27.095 29.562 1.00 15.63 N ATOM 741 CA LEU A 762 7.906 26.966 30.928 1.00 16.01 C ATOM 742 C LEU A 762 6.832 25.891 30.912 1.00 15.40 C ATOM 743 O LEU A 762 5.764 26.058 30.314 1.00 15.93 O ATOM 744 CB LEU A 762 7.331 28.291 31.431 1.00 17.15 C ATOM 745 CG LEU A 762 8.367 29.400 31.644 1.00 16.73 C ATOM 746 CD1 LEU A 762 7.662 30.656 32.121 1.00 19.29 C ATOM 747 CD2 LEU A 762 9.418 28.952 32.662 1.00 18.81 C ATOM 0 H LEU A 762 7.960 27.644 29.070 1.00 15.63 H new ATOM 0 HA LEU A 762 8.628 26.725 31.529 1.00 16.01 H new ATOM 0 HB2 LEU A 762 6.667 28.603 30.796 1.00 17.15 H new ATOM 0 HB3 LEU A 762 6.869 28.132 32.269 1.00 17.15 H new ATOM 0 HG LEU A 762 8.819 29.588 30.807 1.00 16.73 H new ATOM 0 HD11 LEU A 762 8.314 31.361 32.257 1.00 19.29 H new ATOM 0 HD12 LEU A 762 7.016 30.938 31.454 1.00 19.29 H new ATOM 0 HD13 LEU A 762 7.205 30.473 32.957 1.00 19.29 H new ATOM 0 HD21 LEU A 762 10.068 29.661 32.789 1.00 18.81 H new ATOM 0 HD22 LEU A 762 8.986 28.754 33.508 1.00 18.81 H new ATOM 0 HD23 LEU A 762 9.867 28.157 32.335 1.00 18.81 H new ATOM 748 N TYR A 763 7.138 24.778 31.566 1.00 13.87 N ATOM 749 CA TYR A 763 6.245 23.632 31.621 1.00 14.59 C ATOM 750 C TYR A 763 5.268 23.718 32.791 1.00 14.64 C ATOM 751 O TYR A 763 5.428 23.031 33.801 1.00 15.56 O ATOM 752 CB TYR A 763 7.097 22.361 31.713 1.00 16.39 C ATOM 753 CG TYR A 763 6.416 21.081 31.291 1.00 17.06 C ATOM 754 CD1 TYR A 763 5.586 20.386 32.168 1.00 19.02 C ATOM 755 CD2 TYR A 763 6.652 20.533 30.032 1.00 19.68 C ATOM 756 CE1 TYR A 763 5.017 19.168 31.805 1.00 19.93 C ATOM 757 CE2 TYR A 763 6.086 19.316 29.657 1.00 19.95 C ATOM 758 CZ TYR A 763 5.275 18.638 30.551 1.00 21.51 C ATOM 759 OH TYR A 763 4.749 17.412 30.206 1.00 22.85 O ATOM 0 H TYR A 763 7.876 24.667 31.993 1.00 13.87 H new ATOM 0 HA TYR A 763 5.704 23.616 30.816 1.00 14.59 H new ATOM 0 HB2 TYR A 763 7.888 22.482 31.165 1.00 16.39 H new ATOM 0 HB3 TYR A 763 7.399 22.260 32.629 1.00 16.39 H new ATOM 0 HD1 TYR A 763 5.409 20.741 33.009 1.00 19.02 H new ATOM 0 HD2 TYR A 763 7.197 20.988 29.431 1.00 19.68 H new ATOM 0 HE1 TYR A 763 4.467 18.713 32.401 1.00 19.93 H new ATOM 0 HE2 TYR A 763 6.252 18.962 28.813 1.00 19.95 H new ATOM 0 HH TYR A 763 4.984 17.216 29.423 1.00 22.85 H new ATOM 760 N PHE A 764 4.255 24.571 32.655 1.00 14.71 N ATOM 761 CA PHE A 764 3.256 24.720 33.713 1.00 14.01 C ATOM 762 C PHE A 764 2.519 23.396 33.876 1.00 14.30 C ATOM 763 O PHE A 764 2.279 22.938 34.991 1.00 14.43 O ATOM 764 CB PHE A 764 2.264 25.834 33.370 1.00 14.20 C ATOM 765 CG PHE A 764 2.854 27.219 33.437 1.00 13.01 C ATOM 766 CD1 PHE A 764 3.134 27.818 34.665 1.00 12.36 C ATOM 767 CD2 PHE A 764 3.128 27.926 32.274 1.00 14.55 C ATOM 768 CE1 PHE A 764 3.676 29.099 34.728 1.00 14.30 C ATOM 769 CE2 PHE A 764 3.672 29.212 32.329 1.00 14.81 C ATOM 770 CZ PHE A 764 3.946 29.799 33.557 1.00 14.85 C ATOM 0 H PHE A 764 4.128 25.069 31.965 1.00 14.71 H new ATOM 0 HA PHE A 764 3.699 24.960 34.542 1.00 14.01 H new ATOM 0 HB2 PHE A 764 1.917 25.683 32.477 1.00 14.20 H new ATOM 0 HB3 PHE A 764 1.511 25.783 33.979 1.00 14.20 H new ATOM 0 HD1 PHE A 764 2.956 27.356 35.452 1.00 12.36 H new ATOM 0 HD2 PHE A 764 2.947 27.539 31.448 1.00 14.55 H new ATOM 0 HE1 PHE A 764 3.858 29.487 35.554 1.00 14.30 H new ATOM 0 HE2 PHE A 764 3.851 29.675 31.542 1.00 14.81 H new ATOM 0 HZ PHE A 764 4.308 30.655 33.596 1.00 14.85 H new ATOM 771 N ALA A 765 2.168 22.783 32.748 1.00 14.48 N ATOM 772 CA ALA A 765 1.481 21.496 32.731 1.00 14.89 C ATOM 773 C ALA A 765 1.731 20.876 31.357 1.00 14.66 C ATOM 774 O ALA A 765 2.141 21.569 30.425 1.00 15.52 O ATOM 775 CB ALA A 765 -0.025 21.687 32.962 1.00 15.06 C ATOM 0 H ALA A 765 2.323 23.105 31.966 1.00 14.48 H new ATOM 0 HA ALA A 765 1.813 20.920 33.438 1.00 14.89 H new ATOM 0 HB1 ALA A 765 -0.467 20.824 32.948 1.00 15.06 H new ATOM 0 HB2 ALA A 765 -0.169 22.110 33.823 1.00 15.06 H new ATOM 0 HB3 ALA A 765 -0.391 22.249 32.261 1.00 15.06 H new ATOM 776 N PRO A 766 1.490 19.568 31.212 1.00 15.49 N ATOM 777 CA PRO A 766 1.715 18.932 29.909 1.00 16.96 C ATOM 778 C PRO A 766 0.922 19.625 28.804 1.00 17.54 C ATOM 779 O PRO A 766 1.367 19.701 27.657 1.00 17.33 O ATOM 780 CB PRO A 766 1.241 17.501 30.137 1.00 18.83 C ATOM 781 CG PRO A 766 1.532 17.275 31.581 1.00 20.27 C ATOM 782 CD PRO A 766 1.103 18.572 32.227 1.00 16.55 C ATOM 0 HA PRO A 766 2.638 18.980 29.615 1.00 16.96 H new ATOM 0 HB2 PRO A 766 0.296 17.401 29.941 1.00 18.83 H new ATOM 0 HB3 PRO A 766 1.716 16.871 29.572 1.00 18.83 H new ATOM 0 HG2 PRO A 766 1.036 16.519 31.932 1.00 20.27 H new ATOM 0 HG3 PRO A 766 2.473 17.093 31.733 1.00 20.27 H new ATOM 0 HD2 PRO A 766 0.150 18.589 32.407 1.00 16.55 H new ATOM 0 HD3 PRO A 766 1.554 18.722 33.073 1.00 16.55 H new ATOM 783 N ASP A 767 -0.256 20.126 29.167 1.00 17.15 N ATOM 784 CA ASP A 767 -1.141 20.802 28.226 1.00 17.80 C ATOM 785 C ASP A 767 -1.106 22.326 28.339 1.00 17.75 C ATOM 786 O ASP A 767 -2.003 23.016 27.861 1.00 18.39 O ATOM 787 CB ASP A 767 -2.573 20.294 28.418 1.00 17.95 C ATOM 788 CG ASP A 767 -3.138 20.636 29.785 1.00 20.19 C ATOM 789 OD1 ASP A 767 -2.349 20.802 30.743 1.00 18.53 O ATOM 790 OD2 ASP A 767 -4.378 20.722 29.905 1.00 21.99 O ATOM 0 H ASP A 767 -0.564 20.083 29.969 1.00 17.15 H new ATOM 0 HA ASP A 767 -0.819 20.590 27.336 1.00 17.80 H new ATOM 0 HB2 ASP A 767 -3.142 20.676 27.732 1.00 17.95 H new ATOM 0 HB3 ASP A 767 -2.590 19.332 28.297 1.00 17.95 H new ATOM 791 N LEU A 768 -0.067 22.852 28.978 1.00 16.38 N ATOM 792 CA LEU A 768 0.071 24.293 29.117 1.00 16.48 C ATOM 793 C LEU A 768 1.554 24.614 29.225 1.00 17.00 C ATOM 794 O LEU A 768 2.084 24.840 30.316 1.00 16.03 O ATOM 795 CB LEU A 768 -0.678 24.800 30.353 1.00 16.33 C ATOM 796 CG LEU A 768 -0.805 26.326 30.458 1.00 16.58 C ATOM 797 CD1 LEU A 768 -1.555 26.866 29.241 1.00 18.79 C ATOM 798 CD2 LEU A 768 -1.525 26.697 31.744 1.00 18.69 C ATOM 0 H LEU A 768 0.566 22.393 29.336 1.00 16.38 H new ATOM 0 HA LEU A 768 -0.315 24.736 28.345 1.00 16.48 H new ATOM 0 HB2 LEU A 768 -1.568 24.415 30.355 1.00 16.33 H new ATOM 0 HB3 LEU A 768 -0.225 24.472 31.146 1.00 16.33 H new ATOM 0 HG LEU A 768 0.079 26.724 30.477 1.00 16.58 H new ATOM 0 HD11 LEU A 768 -1.633 27.830 29.311 1.00 18.79 H new ATOM 0 HD12 LEU A 768 -1.068 26.639 28.434 1.00 18.79 H new ATOM 0 HD13 LEU A 768 -2.441 26.472 29.205 1.00 18.79 H new ATOM 0 HD21 LEU A 768 -1.602 27.662 31.805 1.00 18.69 H new ATOM 0 HD22 LEU A 768 -2.411 26.301 31.745 1.00 18.69 H new ATOM 0 HD23 LEU A 768 -1.022 26.365 32.504 1.00 18.69 H new ATOM 799 N VAL A 769 2.209 24.612 28.070 1.00 16.69 N ATOM 800 CA VAL A 769 3.633 24.888 27.969 1.00 16.28 C ATOM 801 C VAL A 769 3.801 26.253 27.309 1.00 15.92 C ATOM 802 O VAL A 769 3.237 26.511 26.247 1.00 17.65 O ATOM 803 CB VAL A 769 4.327 23.795 27.129 1.00 17.33 C ATOM 804 CG1 VAL A 769 5.819 24.077 27.026 1.00 21.47 C ATOM 805 CG2 VAL A 769 4.075 22.430 27.760 1.00 18.27 C ATOM 0 H VAL A 769 1.833 24.448 27.314 1.00 16.69 H new ATOM 0 HA VAL A 769 4.040 24.891 28.849 1.00 16.28 H new ATOM 0 HB VAL A 769 3.959 23.797 26.232 1.00 17.33 H new ATOM 0 HG11 VAL A 769 6.244 23.384 26.496 1.00 21.47 H new ATOM 0 HG12 VAL A 769 5.957 24.938 26.602 1.00 21.47 H new ATOM 0 HG13 VAL A 769 6.208 24.089 27.914 1.00 21.47 H new ATOM 0 HG21 VAL A 769 4.511 21.743 27.232 1.00 18.27 H new ATOM 0 HG22 VAL A 769 4.432 22.419 28.662 1.00 18.27 H new ATOM 0 HG23 VAL A 769 3.121 22.258 27.789 1.00 18.27 H new ATOM 806 N PHE A 770 4.574 27.126 27.943 1.00 15.25 N ATOM 807 CA PHE A 770 4.784 28.477 27.435 1.00 16.14 C ATOM 808 C PHE A 770 6.076 28.718 26.671 1.00 17.26 C ATOM 809 O PHE A 770 7.164 28.566 27.227 1.00 18.40 O ATOM 810 CB PHE A 770 4.766 29.484 28.591 1.00 15.69 C ATOM 811 CG PHE A 770 3.399 30.004 28.960 1.00 16.04 C ATOM 812 CD1 PHE A 770 2.274 29.186 28.907 1.00 16.80 C ATOM 813 CD2 PHE A 770 3.261 31.306 29.442 1.00 17.11 C ATOM 814 CE1 PHE A 770 1.028 29.661 29.336 1.00 18.04 C ATOM 815 CE2 PHE A 770 2.024 31.789 29.872 1.00 17.32 C ATOM 816 CZ PHE A 770 0.907 30.966 29.820 1.00 18.24 C ATOM 0 H PHE A 770 4.990 26.954 28.676 1.00 15.25 H new ATOM 0 HA PHE A 770 4.055 28.593 26.805 1.00 16.14 H new ATOM 0 HB2 PHE A 770 5.160 29.066 29.373 1.00 15.69 H new ATOM 0 HB3 PHE A 770 5.331 30.236 28.356 1.00 15.69 H new ATOM 0 HD1 PHE A 770 2.350 28.317 28.584 1.00 16.80 H new ATOM 0 HD2 PHE A 770 4.006 31.862 29.477 1.00 17.11 H new ATOM 0 HE1 PHE A 770 0.281 29.108 29.299 1.00 18.04 H new ATOM 0 HE2 PHE A 770 1.948 32.659 30.192 1.00 17.32 H new ATOM 0 HZ PHE A 770 0.081 31.282 30.106 1.00 18.24 H new ATOM 817 N ASN A 771 5.956 29.080 25.395 1.00 18.24 N ATOM 818 CA ASN A 771 7.125 29.457 24.613 1.00 17.17 C ATOM 819 C ASN A 771 7.169 30.975 24.831 1.00 18.21 C ATOM 820 O ASN A 771 6.307 31.517 25.530 1.00 16.95 O ATOM 821 CB ASN A 771 6.962 29.118 23.122 1.00 17.42 C ATOM 822 CG ASN A 771 5.608 29.516 22.560 1.00 17.81 C ATOM 823 OD1 ASN A 771 4.951 30.429 23.060 1.00 18.29 O ATOM 824 ND2 ASN A 771 5.193 28.835 21.496 1.00 18.03 N ATOM 0 H ASN A 771 5.210 29.113 24.968 1.00 18.24 H new ATOM 0 HA ASN A 771 7.932 28.989 24.879 1.00 17.17 H new ATOM 0 HB2 ASN A 771 7.659 29.565 22.617 1.00 17.42 H new ATOM 0 HB3 ASN A 771 7.089 28.164 22.998 1.00 17.42 H new ATOM 0 HD21 ASN A 771 4.439 29.027 21.130 1.00 18.03 H new ATOM 0 HD22 ASN A 771 5.679 28.203 21.174 1.00 18.03 H new ATOM 825 N GLU A 772 8.145 31.671 24.256 1.00 17.23 N ATOM 826 CA GLU A 772 8.237 33.117 24.464 1.00 19.25 C ATOM 827 C GLU A 772 7.013 33.890 23.973 1.00 17.89 C ATOM 828 O GLU A 772 6.654 34.920 24.543 1.00 18.38 O ATOM 829 CB GLU A 772 9.498 33.683 23.801 1.00 22.08 C ATOM 830 CG GLU A 772 10.812 33.224 24.429 1.00 24.96 C ATOM 831 CD GLU A 772 11.553 34.345 25.147 1.00 25.63 C ATOM 832 OE1 GLU A 772 11.515 35.496 24.664 1.00 26.29 O ATOM 833 OE2 GLU A 772 12.194 34.071 26.185 1.00 31.22 O ATOM 0 H GLU A 772 8.754 31.335 23.751 1.00 17.23 H new ATOM 0 HA GLU A 772 8.281 33.238 25.425 1.00 19.25 H new ATOM 0 HB2 GLU A 772 9.496 33.431 22.864 1.00 22.08 H new ATOM 0 HB3 GLU A 772 9.459 34.652 23.835 1.00 22.08 H new ATOM 0 HG2 GLU A 772 10.631 32.508 25.058 1.00 24.96 H new ATOM 0 HG3 GLU A 772 11.384 32.856 23.737 1.00 24.96 H new ATOM 834 N TYR A 773 6.377 33.404 22.911 1.00 18.17 N ATOM 835 CA TYR A 773 5.192 34.074 22.393 1.00 16.91 C ATOM 836 C TYR A 773 4.105 34.093 23.471 1.00 17.16 C ATOM 837 O TYR A 773 3.473 35.122 23.710 1.00 17.33 O ATOM 838 CB TYR A 773 4.671 33.351 21.151 1.00 18.24 C ATOM 839 CG TYR A 773 3.425 33.980 20.586 1.00 18.01 C ATOM 840 CD1 TYR A 773 3.472 35.228 19.967 1.00 20.47 C ATOM 841 CD2 TYR A 773 2.193 33.335 20.681 1.00 19.94 C ATOM 842 CE1 TYR A 773 2.326 35.820 19.451 1.00 21.17 C ATOM 843 CE2 TYR A 773 1.038 33.920 20.170 1.00 21.75 C ATOM 844 CZ TYR A 773 1.113 35.159 19.556 1.00 21.46 C ATOM 845 OH TYR A 773 -0.025 35.738 19.030 1.00 24.81 O ATOM 0 H TYR A 773 6.612 32.697 22.482 1.00 18.17 H new ATOM 0 HA TYR A 773 5.426 34.983 22.149 1.00 16.91 H new ATOM 0 HB2 TYR A 773 5.363 33.347 20.471 1.00 18.24 H new ATOM 0 HB3 TYR A 773 4.488 32.425 21.375 1.00 18.24 H new ATOM 0 HD1 TYR A 773 4.286 35.673 19.898 1.00 20.47 H new ATOM 0 HD2 TYR A 773 2.142 32.502 21.092 1.00 19.94 H new ATOM 0 HE1 TYR A 773 2.373 36.652 19.039 1.00 21.17 H new ATOM 0 HE2 TYR A 773 0.221 33.481 20.240 1.00 21.75 H new ATOM 0 HH TYR A 773 0.182 36.215 18.370 1.00 24.81 H new ATOM 846 N ARG A 774 3.890 32.952 24.118 1.00 16.79 N ATOM 847 CA ARG A 774 2.885 32.876 25.173 1.00 16.17 C ATOM 848 C ARG A 774 3.294 33.684 26.401 1.00 17.18 C ATOM 849 O ARG A 774 2.447 34.231 27.106 1.00 16.83 O ATOM 850 CB ARG A 774 2.622 31.420 25.560 1.00 16.37 C ATOM 851 CG ARG A 774 1.754 30.693 24.554 1.00 18.38 C ATOM 852 CD ARG A 774 1.456 29.280 25.009 1.00 18.78 C ATOM 853 NE ARG A 774 0.367 28.703 24.230 1.00 18.85 N ATOM 854 CZ ARG A 774 -0.077 27.462 24.378 1.00 19.73 C ATOM 855 NH1 ARG A 774 0.481 26.659 25.276 1.00 18.27 N ATOM 856 NH2 ARG A 774 -1.088 27.026 23.639 1.00 18.77 N ATOM 0 H ARG A 774 4.310 32.218 23.964 1.00 16.79 H new ATOM 0 HA ARG A 774 2.067 33.262 24.824 1.00 16.17 H new ATOM 0 HB2 ARG A 774 3.469 30.955 25.646 1.00 16.37 H new ATOM 0 HB3 ARG A 774 2.194 31.393 26.430 1.00 16.37 H new ATOM 0 HG2 ARG A 774 0.923 31.178 24.430 1.00 18.38 H new ATOM 0 HG3 ARG A 774 2.201 30.671 23.693 1.00 18.38 H new ATOM 0 HD2 ARG A 774 2.251 28.732 24.917 1.00 18.78 H new ATOM 0 HD3 ARG A 774 1.220 29.282 25.950 1.00 18.78 H new ATOM 0 HE ARG A 774 -0.011 29.198 23.637 1.00 18.85 H new ATOM 0 HH11 ARG A 774 1.131 26.943 25.762 1.00 18.27 H new ATOM 0 HH12 ARG A 774 0.193 25.854 25.371 1.00 18.27 H new ATOM 0 HH21 ARG A 774 -1.456 27.548 23.063 1.00 18.77 H new ATOM 0 HH22 ARG A 774 -1.375 26.221 23.735 1.00 18.77 H new ATOM 857 N MET A 775 4.594 33.753 26.668 1.00 16.07 N ATOM 858 CA MET A 775 5.070 34.538 27.799 1.00 17.11 C ATOM 859 C MET A 775 4.662 35.990 27.568 1.00 18.16 C ATOM 860 O MET A 775 4.212 36.679 28.485 1.00 19.27 O ATOM 861 CB MET A 775 6.590 34.445 27.916 1.00 18.70 C ATOM 862 CG MET A 775 7.095 33.089 28.337 1.00 19.22 C ATOM 863 SD MET A 775 8.891 33.077 28.418 1.00 21.98 S ATOM 864 CE MET A 775 9.206 31.354 28.173 1.00 23.84 C ATOM 0 H MET A 775 5.208 33.359 26.214 1.00 16.07 H new ATOM 0 HA MET A 775 4.683 34.198 28.621 1.00 17.11 H new ATOM 0 HB2 MET A 775 6.985 34.675 27.060 1.00 18.70 H new ATOM 0 HB3 MET A 775 6.896 35.106 28.556 1.00 18.70 H new ATOM 0 HG2 MET A 775 6.726 32.856 29.203 1.00 19.22 H new ATOM 0 HG3 MET A 775 6.790 32.416 27.709 1.00 19.22 H new ATOM 0 HE1 MET A 775 10.130 31.159 28.395 1.00 23.84 H new ATOM 0 HE2 MET A 775 8.620 30.833 28.744 1.00 23.84 H new ATOM 0 HE3 MET A 775 9.041 31.123 27.245 1.00 23.84 H new ATOM 865 N HIS A 776 4.808 36.446 26.329 1.00 18.10 N ATOM 866 CA HIS A 776 4.452 37.810 25.968 1.00 17.90 C ATOM 867 C HIS A 776 2.941 38.019 26.008 1.00 18.54 C ATOM 868 O HIS A 776 2.457 39.014 26.552 1.00 19.79 O ATOM 869 CB HIS A 776 4.985 38.132 24.569 1.00 18.70 C ATOM 870 CG HIS A 776 4.579 39.481 24.062 1.00 21.26 C ATOM 871 ND1 HIS A 776 3.370 39.711 23.440 1.00 21.92 N ATOM 872 CD2 HIS A 776 5.222 40.673 24.087 1.00 22.79 C ATOM 873 CE1 HIS A 776 3.288 40.985 23.100 1.00 22.79 C ATOM 874 NE2 HIS A 776 4.399 41.590 23.481 1.00 23.15 N ATOM 0 H HIS A 776 5.115 35.975 25.678 1.00 18.10 H new ATOM 0 HA HIS A 776 4.855 38.408 26.616 1.00 17.90 H new ATOM 0 HB2 HIS A 776 5.953 38.079 24.581 1.00 18.70 H new ATOM 0 HB3 HIS A 776 4.671 37.455 23.949 1.00 18.70 H new ATOM 0 HD2 HIS A 776 6.063 40.839 24.447 1.00 22.79 H new ATOM 0 HE1 HIS A 776 2.570 41.387 22.666 1.00 22.79 H new ATOM 0 HE2 HIS A 776 4.578 42.424 23.368 1.00 23.15 H new ATOM 875 N LYS A 777 2.207 37.072 25.433 1.00 18.90 N ATOM 876 CA LYS A 777 0.749 37.147 25.385 1.00 18.73 C ATOM 877 C LYS A 777 0.123 37.159 26.781 1.00 18.92 C ATOM 878 O LYS A 777 -0.952 37.740 26.983 1.00 19.58 O ATOM 879 CB LYS A 777 0.200 35.964 24.582 1.00 21.20 C ATOM 880 CG LYS A 777 -1.315 35.904 24.502 1.00 25.14 C ATOM 881 CD LYS A 777 -1.891 36.998 23.620 1.00 30.18 C ATOM 882 CE LYS A 777 -1.641 36.716 22.151 1.00 31.28 C ATOM 883 NZ LYS A 777 -2.467 37.608 21.291 1.00 33.07 N ATOM 0 H LYS A 777 2.537 36.371 25.061 1.00 18.90 H new ATOM 0 HA LYS A 777 0.513 37.983 24.954 1.00 18.73 H new ATOM 0 HB2 LYS A 777 0.558 36.005 23.682 1.00 21.20 H new ATOM 0 HB3 LYS A 777 0.524 35.140 24.979 1.00 21.20 H new ATOM 0 HG2 LYS A 777 -1.584 35.038 24.157 1.00 25.14 H new ATOM 0 HG3 LYS A 777 -1.687 35.982 25.394 1.00 25.14 H new ATOM 0 HD2 LYS A 777 -2.845 37.074 23.778 1.00 30.18 H new ATOM 0 HD3 LYS A 777 -1.495 37.850 23.859 1.00 30.18 H new ATOM 0 HE2 LYS A 777 -0.701 36.845 21.948 1.00 31.28 H new ATOM 0 HE3 LYS A 777 -1.849 35.789 21.956 1.00 31.28 H new ATOM 0 HZ1 LYS A 777 -2.306 37.427 20.435 1.00 33.07 H new ATOM 0 HZ2 LYS A 777 -3.329 37.474 21.465 1.00 33.07 H new ATOM 0 HZ3 LYS A 777 -2.260 38.457 21.458 1.00 33.07 H new ATOM 884 N SER A 778 0.799 36.530 27.739 1.00 18.24 N ATOM 885 CA SER A 778 0.306 36.443 29.116 1.00 18.57 C ATOM 886 C SER A 778 0.410 37.761 29.881 1.00 18.33 C ATOM 887 O SER A 778 -0.142 37.899 30.973 1.00 17.46 O ATOM 888 CB SER A 778 1.090 35.374 29.882 1.00 18.59 C ATOM 889 OG SER A 778 2.377 35.857 30.238 1.00 20.81 O ATOM 0 H SER A 778 1.556 36.141 27.611 1.00 18.24 H new ATOM 0 HA SER A 778 -0.634 36.213 29.053 1.00 18.57 H new ATOM 0 HB2 SER A 778 0.603 35.119 30.681 1.00 18.59 H new ATOM 0 HB3 SER A 778 1.178 34.577 29.336 1.00 18.59 H new ATOM 0 HG SER A 778 2.791 36.089 29.545 1.00 20.81 H new ATOM 890 N ARG A 779 1.135 38.716 29.308 1.00 19.68 N ATOM 891 CA ARG A 779 1.339 40.026 29.918 1.00 19.68 C ATOM 892 C ARG A 779 2.190 39.994 31.186 1.00 20.64 C ATOM 893 O ARG A 779 2.210 40.947 31.962 1.00 21.30 O ATOM 894 CB ARG A 779 -0.009 40.710 30.176 1.00 21.38 C ATOM 895 CG ARG A 779 -0.805 40.921 28.897 1.00 23.48 C ATOM 896 CD ARG A 779 -2.122 41.632 29.147 1.00 26.76 C ATOM 897 NE ARG A 779 -2.970 41.607 27.959 1.00 29.46 N ATOM 898 CZ ARG A 779 -4.220 42.058 27.921 1.00 30.42 C ATOM 899 NH1 ARG A 779 -4.774 42.577 29.007 1.00 31.67 N ATOM 900 NH2 ARG A 779 -4.920 41.978 26.797 1.00 32.90 N ATOM 0 H ARG A 779 1.526 38.621 28.548 1.00 19.68 H new ATOM 0 HA ARG A 779 1.848 40.547 29.278 1.00 19.68 H new ATOM 0 HB2 ARG A 779 -0.529 40.172 30.793 1.00 21.38 H new ATOM 0 HB3 ARG A 779 0.142 41.567 30.605 1.00 21.38 H new ATOM 0 HG2 ARG A 779 -0.275 41.438 28.271 1.00 23.48 H new ATOM 0 HG3 ARG A 779 -0.978 40.062 28.481 1.00 23.48 H new ATOM 0 HD2 ARG A 779 -2.585 41.209 29.887 1.00 26.76 H new ATOM 0 HD3 ARG A 779 -1.952 42.551 29.407 1.00 26.76 H new ATOM 0 HE ARG A 779 -2.639 41.279 27.236 1.00 29.46 H new ATOM 0 HH11 ARG A 779 -4.325 42.623 29.739 1.00 31.67 H new ATOM 0 HH12 ARG A 779 -5.583 42.868 28.980 1.00 31.67 H new ATOM 0 HH21 ARG A 779 -4.565 41.634 26.093 1.00 32.90 H new ATOM 0 HH22 ARG A 779 -5.729 42.270 26.772 1.00 32.90 H new ATOM 901 N MET A 780 2.886 38.883 31.402 1.00 21.19 N ATOM 902 CA MET A 780 3.795 38.785 32.537 1.00 21.69 C ATOM 903 C MET A 780 5.095 38.169 32.037 1.00 20.41 C ATOM 904 O MET A 780 5.652 37.243 32.624 1.00 20.08 O ATOM 905 CB MET A 780 3.174 37.997 33.704 1.00 25.22 C ATOM 906 CG AMET A 780 2.485 36.707 33.305 0.50 24.78 C ATOM 907 CG BMET A 780 2.516 36.686 33.317 0.50 24.87 C ATOM 908 SD AMET A 780 1.859 35.803 34.747 0.50 29.43 S ATOM 909 SD BMET A 780 1.881 35.816 34.780 0.50 29.23 S ATOM 910 CE AMET A 780 3.205 34.667 35.016 0.50 26.25 C ATOM 911 CE BMET A 780 1.210 34.332 34.012 0.50 26.81 C ATOM 0 H MET A 780 2.847 38.180 30.908 1.00 21.19 H new ATOM 0 HA MET A 780 3.975 39.667 32.899 1.00 21.69 H new ATOM 0 HB2AMET A 780 3.871 37.791 34.346 0.50 25.22 H new ATOM 0 HB2BMET A 780 3.867 37.814 34.358 0.50 25.22 H new ATOM 0 HB3AMET A 780 2.531 38.566 34.156 0.50 25.22 H new ATOM 0 HB3BMET A 780 2.514 38.558 34.140 0.50 25.22 H new ATOM 0 HG2AMET A 780 1.750 36.906 32.704 0.50 24.87 H new ATOM 0 HG2BMET A 780 1.789 36.856 32.697 0.50 24.87 H new ATOM 0 HG3AMET A 780 3.107 36.146 32.817 0.50 24.87 H new ATOM 0 HG3BMET A 780 3.157 36.123 32.855 0.50 24.87 H new ATOM 0 HE1AMET A 780 3.012 34.113 35.788 0.50 26.81 H new ATOM 0 HE1BMET A 780 0.247 34.314 34.128 0.50 26.81 H new ATOM 0 HE2AMET A 780 3.315 34.104 34.234 0.50 26.81 H new ATOM 0 HE2BMET A 780 1.421 34.334 33.065 0.50 26.81 H new ATOM 0 HE3AMET A 780 4.023 35.165 35.172 0.50 26.81 H new ATOM 0 HE3BMET A 780 1.600 33.547 34.428 0.50 26.81 H new ATOM 912 N TYR A 781 5.569 38.734 30.930 1.00 19.48 N ATOM 913 CA TYR A 781 6.796 38.295 30.281 1.00 19.45 C ATOM 914 C TYR A 781 8.013 38.396 31.197 1.00 20.19 C ATOM 915 O TYR A 781 8.810 37.463 31.270 1.00 19.61 O ATOM 916 CB TYR A 781 7.035 39.109 29.003 1.00 22.19 C ATOM 917 CG TYR A 781 8.319 38.747 28.295 1.00 26.22 C ATOM 918 CD1 TYR A 781 9.511 39.417 28.583 1.00 27.38 C ATOM 919 CD2 TYR A 781 8.356 37.701 27.377 1.00 25.76 C ATOM 920 CE1 TYR A 781 10.711 39.052 27.972 1.00 28.63 C ATOM 921 CE2 TYR A 781 9.549 37.325 26.760 1.00 28.46 C ATOM 922 CZ TYR A 781 10.723 38.003 27.063 1.00 27.90 C ATOM 923 OH TYR A 781 11.908 37.626 26.469 1.00 29.24 O ATOM 0 H TYR A 781 5.181 39.390 30.532 1.00 19.48 H new ATOM 0 HA TYR A 781 6.681 37.358 30.059 1.00 19.45 H new ATOM 0 HB2 TYR A 781 6.290 38.974 28.397 1.00 22.19 H new ATOM 0 HB3 TYR A 781 7.051 40.053 29.227 1.00 22.19 H new ATOM 0 HD1 TYR A 781 9.504 40.119 29.193 1.00 27.38 H new ATOM 0 HD2 TYR A 781 7.572 37.245 27.172 1.00 25.76 H new ATOM 0 HE1 TYR A 781 11.497 39.508 28.172 1.00 28.63 H new ATOM 0 HE2 TYR A 781 9.558 36.624 26.149 1.00 28.46 H new ATOM 0 HH TYR A 781 11.768 36.983 25.947 1.00 29.24 H new ATOM 924 N SER A 782 8.159 39.523 31.890 1.00 18.89 N ATOM 925 CA SER A 782 9.292 39.706 32.796 1.00 21.24 C ATOM 926 C SER A 782 9.326 38.607 33.852 1.00 20.70 C ATOM 927 O SER A 782 10.378 38.023 34.124 1.00 20.63 O ATOM 928 CB SER A 782 9.220 41.078 33.482 1.00 23.33 C ATOM 929 OG SER A 782 8.005 41.252 34.185 1.00 29.65 O ATOM 0 H SER A 782 7.618 40.190 31.851 1.00 18.89 H new ATOM 0 HA SER A 782 10.104 39.658 32.268 1.00 21.24 H new ATOM 0 HB2 SER A 782 9.965 41.172 34.096 1.00 23.33 H new ATOM 0 HB3 SER A 782 9.311 41.777 32.816 1.00 23.33 H new ATOM 0 HG SER A 782 7.461 40.655 33.956 1.00 29.65 H new ATOM 930 N GLN A 783 8.171 38.321 34.445 1.00 18.09 N ATOM 931 CA GLN A 783 8.104 37.285 35.466 1.00 18.79 C ATOM 932 C GLN A 783 8.423 35.924 34.855 1.00 16.85 C ATOM 933 O GLN A 783 9.105 35.107 35.472 1.00 17.80 O ATOM 934 CB GLN A 783 6.716 37.252 36.119 1.00 19.68 C ATOM 935 CG GLN A 783 6.346 38.536 36.850 1.00 22.87 C ATOM 936 CD GLN A 783 5.569 39.505 35.980 1.00 23.04 C ATOM 937 OE1 GLN A 783 5.868 39.678 34.801 1.00 24.81 O ATOM 938 NE2 GLN A 783 4.566 40.154 36.566 1.00 28.28 N ATOM 0 H GLN A 783 7.424 38.710 34.273 1.00 18.09 H new ATOM 0 HA GLN A 783 8.761 37.489 36.150 1.00 18.79 H new ATOM 0 HB2 GLN A 783 6.051 37.077 35.435 1.00 19.68 H new ATOM 0 HB3 GLN A 783 6.681 36.512 36.745 1.00 19.68 H new ATOM 0 HG2 GLN A 783 5.818 38.316 37.633 1.00 22.87 H new ATOM 0 HG3 GLN A 783 7.155 38.968 37.165 1.00 22.87 H new ATOM 0 HE21 GLN A 783 4.385 40.008 37.394 1.00 28.28 H new ATOM 0 HE22 GLN A 783 4.099 40.720 36.117 1.00 28.28 H new ATOM 939 N CYS A 784 7.936 35.683 33.639 1.00 16.30 N ATOM 940 CA CYS A 784 8.194 34.410 32.979 1.00 16.54 C ATOM 941 C CYS A 784 9.676 34.198 32.696 1.00 16.66 C ATOM 942 O CYS A 784 10.191 33.094 32.865 1.00 17.23 O ATOM 943 CB CYS A 784 7.396 34.299 31.677 1.00 15.83 C ATOM 944 SG CYS A 784 5.632 33.939 31.907 1.00 18.58 S ATOM 0 H CYS A 784 7.460 36.237 33.185 1.00 16.30 H new ATOM 0 HA CYS A 784 7.906 33.715 33.591 1.00 16.54 H new ATOM 0 HB2 CYS A 784 7.484 35.130 31.185 1.00 15.83 H new ATOM 0 HB3 CYS A 784 7.788 33.602 31.128 1.00 15.83 H new ATOM 0 HG CYS A 784 5.057 34.942 32.228 1.00 18.58 H new ATOM 945 N VAL A 785 10.366 35.250 32.268 1.00 18.68 N ATOM 946 CA VAL A 785 11.791 35.123 31.978 1.00 19.04 C ATOM 947 C VAL A 785 12.561 34.835 33.264 1.00 19.45 C ATOM 948 O VAL A 785 13.538 34.087 33.253 1.00 19.61 O ATOM 949 CB VAL A 785 12.338 36.392 31.288 1.00 21.36 C ATOM 950 CG1 VAL A 785 13.845 36.286 31.104 1.00 22.95 C ATOM 951 CG2 VAL A 785 11.666 36.562 29.941 1.00 22.56 C ATOM 0 H VAL A 785 10.036 36.034 32.140 1.00 18.68 H new ATOM 0 HA VAL A 785 11.912 34.381 31.365 1.00 19.04 H new ATOM 0 HB VAL A 785 12.148 37.163 31.845 1.00 21.36 H new ATOM 0 HG11 VAL A 785 14.175 37.088 30.670 1.00 22.95 H new ATOM 0 HG12 VAL A 785 14.271 36.188 31.970 1.00 22.95 H new ATOM 0 HG13 VAL A 785 14.051 35.514 30.554 1.00 22.95 H new ATOM 0 HG21 VAL A 785 12.009 37.359 29.506 1.00 22.56 H new ATOM 0 HG22 VAL A 785 11.850 35.787 29.387 1.00 22.56 H new ATOM 0 HG23 VAL A 785 10.708 36.649 30.066 1.00 22.56 H new ATOM 952 N ARG A 786 12.115 35.415 34.373 1.00 19.40 N ATOM 953 CA ARG A 786 12.765 35.168 35.653 1.00 19.89 C ATOM 954 C ARG A 786 12.529 33.714 36.074 1.00 19.05 C ATOM 955 O ARG A 786 13.393 33.087 36.693 1.00 19.01 O ATOM 956 CB ARG A 786 12.231 36.128 36.719 1.00 21.67 C ATOM 957 CG ARG A 786 12.526 37.593 36.418 1.00 27.33 C ATOM 958 CD ARG A 786 12.236 38.491 37.611 1.00 29.69 C ATOM 959 NE ARG A 786 12.996 38.072 38.786 1.00 33.63 N ATOM 960 CZ ARG A 786 13.150 38.800 39.888 1.00 35.39 C ATOM 961 NH1 ARG A 786 12.599 40.001 39.980 1.00 38.24 N ATOM 962 NH2 ARG A 786 13.861 38.326 40.900 1.00 35.76 N ATOM 0 H ARG A 786 11.443 35.951 34.406 1.00 19.40 H new ATOM 0 HA ARG A 786 13.718 35.321 35.560 1.00 19.89 H new ATOM 0 HB2 ARG A 786 11.272 36.008 36.801 1.00 21.67 H new ATOM 0 HB3 ARG A 786 12.620 35.896 37.577 1.00 21.67 H new ATOM 0 HG2 ARG A 786 13.457 37.688 36.161 1.00 27.33 H new ATOM 0 HG3 ARG A 786 11.992 37.880 35.661 1.00 27.33 H new ATOM 0 HD2 ARG A 786 12.458 39.409 37.390 1.00 29.69 H new ATOM 0 HD3 ARG A 786 11.287 38.469 37.812 1.00 29.69 H new ATOM 0 HE ARG A 786 13.371 37.298 38.763 1.00 33.63 H new ATOM 0 HH11 ARG A 786 12.138 40.314 39.325 1.00 38.24 H new ATOM 0 HH12 ARG A 786 12.702 40.468 40.695 1.00 38.24 H new ATOM 0 HH21 ARG A 786 14.223 37.548 40.844 1.00 35.76 H new ATOM 0 HH22 ARG A 786 13.961 38.796 41.613 1.00 35.76 H new ATOM 963 N MET A 787 11.362 33.170 35.736 1.00 18.39 N ATOM 964 CA MET A 787 11.074 31.779 36.074 1.00 17.85 C ATOM 965 C MET A 787 11.885 30.846 35.173 1.00 17.57 C ATOM 966 O MET A 787 12.274 29.752 35.586 1.00 17.78 O ATOM 967 CB MET A 787 9.574 31.482 35.936 1.00 17.78 C ATOM 968 CG MET A 787 8.731 32.177 36.998 1.00 17.92 C ATOM 969 SD MET A 787 7.007 31.646 37.054 1.00 18.50 S ATOM 970 CE MET A 787 6.302 32.652 35.758 1.00 18.94 C ATOM 0 H MET A 787 10.733 33.581 35.318 1.00 18.39 H new ATOM 0 HA MET A 787 11.327 31.627 36.998 1.00 17.85 H new ATOM 0 HB2 MET A 787 9.273 31.761 35.057 1.00 17.78 H new ATOM 0 HB3 MET A 787 9.432 30.524 35.993 1.00 17.78 H new ATOM 0 HG2 MET A 787 9.134 32.021 37.867 1.00 17.92 H new ATOM 0 HG3 MET A 787 8.758 33.134 36.840 1.00 17.92 H new ATOM 0 HE1 MET A 787 5.343 32.722 35.888 1.00 18.94 H new ATOM 0 HE2 MET A 787 6.697 33.538 35.785 1.00 18.94 H new ATOM 0 HE3 MET A 787 6.483 32.244 34.897 1.00 18.94 H new ATOM 971 N ARG A 788 12.138 31.283 33.943 1.00 18.11 N ATOM 972 CA ARG A 788 12.918 30.483 33.009 1.00 19.72 C ATOM 973 C ARG A 788 14.355 30.430 33.517 1.00 19.00 C ATOM 974 O ARG A 788 15.027 29.406 33.398 1.00 18.34 O ATOM 975 CB ARG A 788 12.881 31.107 31.613 1.00 22.89 C ATOM 976 CG ARG A 788 13.543 30.262 30.535 1.00 27.91 C ATOM 977 CD ARG A 788 14.349 31.149 29.606 1.00 33.33 C ATOM 978 NE ARG A 788 15.438 31.786 30.341 1.00 37.75 N ATOM 979 CZ ARG A 788 16.115 32.851 29.921 1.00 38.05 C ATOM 980 NH1 ARG A 788 15.823 33.418 28.758 1.00 40.45 N ATOM 981 NH2 ARG A 788 17.086 33.350 30.675 1.00 37.23 N ATOM 0 H ARG A 788 11.868 32.038 33.632 1.00 18.11 H new ATOM 0 HA ARG A 788 12.547 29.589 32.949 1.00 19.72 H new ATOM 0 HB2 ARG A 788 11.957 31.264 31.364 1.00 22.89 H new ATOM 0 HB3 ARG A 788 13.317 31.973 31.645 1.00 22.89 H new ATOM 0 HG2 ARG A 788 14.121 29.598 30.943 1.00 27.91 H new ATOM 0 HG3 ARG A 788 12.869 29.780 30.031 1.00 27.91 H new ATOM 0 HD2 ARG A 788 14.707 30.622 28.875 1.00 33.33 H new ATOM 0 HD3 ARG A 788 13.775 31.825 29.214 1.00 33.33 H new ATOM 0 HE ARG A 788 15.658 31.448 31.101 1.00 37.75 H new ATOM 0 HH11 ARG A 788 15.192 33.097 28.270 1.00 40.45 H new ATOM 0 HH12 ARG A 788 16.265 34.106 28.492 1.00 40.45 H new ATOM 0 HH21 ARG A 788 17.274 32.985 31.431 1.00 37.23 H new ATOM 0 HH22 ARG A 788 17.527 34.038 30.408 1.00 37.23 H new ATOM 982 N HIS A 789 14.816 31.544 34.079 1.00 19.26 N ATOM 983 CA HIS A 789 16.165 31.633 34.630 1.00 19.64 C ATOM 984 C HIS A 789 16.247 30.679 35.822 1.00 19.26 C ATOM 985 O HIS A 789 17.231 29.956 35.984 1.00 18.07 O ATOM 986 CB HIS A 789 16.458 33.077 35.063 1.00 20.19 C ATOM 987 CG HIS A 789 17.880 33.317 35.472 1.00 21.08 C ATOM 988 ND1 HIS A 789 18.383 32.926 36.695 1.00 22.50 N ATOM 989 CD2 HIS A 789 18.905 33.915 34.819 1.00 23.16 C ATOM 990 CE1 HIS A 789 19.656 33.274 36.778 1.00 21.81 C ATOM 991 NE2 HIS A 789 19.998 33.876 35.653 1.00 23.52 N ATOM 0 H HIS A 789 14.357 32.268 34.152 1.00 19.26 H new ATOM 0 HA HIS A 789 16.826 31.385 33.965 1.00 19.64 H new ATOM 0 HB2 HIS A 789 16.237 33.675 34.332 1.00 20.19 H new ATOM 0 HB3 HIS A 789 15.875 33.307 35.804 1.00 20.19 H new ATOM 0 HD2 HIS A 789 18.875 34.283 33.966 1.00 23.16 H new ATOM 0 HE1 HIS A 789 20.216 33.121 37.505 1.00 21.81 H new ATOM 0 HE2 HIS A 789 20.777 34.192 35.472 1.00 23.52 H new ATOM 992 N LEU A 790 15.206 30.673 36.653 1.00 18.50 N ATOM 993 CA LEU A 790 15.166 29.775 37.803 1.00 17.47 C ATOM 994 C LEU A 790 15.291 28.335 37.305 1.00 17.45 C ATOM 995 O LEU A 790 16.058 27.540 37.855 1.00 17.17 O ATOM 996 CB LEU A 790 13.850 29.949 38.574 1.00 19.01 C ATOM 997 CG LEU A 790 13.544 28.942 39.688 1.00 20.80 C ATOM 998 CD1 LEU A 790 14.602 29.013 40.777 1.00 21.25 C ATOM 999 CD2 LEU A 790 12.167 29.236 40.267 1.00 20.34 C ATOM 0 H LEU A 790 14.516 31.179 36.568 1.00 18.50 H new ATOM 0 HA LEU A 790 15.899 29.984 38.402 1.00 17.47 H new ATOM 0 HB2 LEU A 790 13.847 30.837 38.964 1.00 19.01 H new ATOM 0 HB3 LEU A 790 13.122 29.918 37.934 1.00 19.01 H new ATOM 0 HG LEU A 790 13.553 28.045 39.318 1.00 20.80 H new ATOM 0 HD11 LEU A 790 14.394 28.370 41.473 1.00 21.25 H new ATOM 0 HD12 LEU A 790 15.471 28.808 40.398 1.00 21.25 H new ATOM 0 HD13 LEU A 790 14.617 29.906 41.156 1.00 21.25 H new ATOM 0 HD21 LEU A 790 11.970 28.600 40.973 1.00 20.34 H new ATOM 0 HD22 LEU A 790 12.154 30.136 40.630 1.00 20.34 H new ATOM 0 HD23 LEU A 790 11.499 29.160 39.568 1.00 20.34 H new ATOM 1000 N SER A 791 14.539 28.001 36.260 1.00 16.00 N ATOM 1001 CA SER A 791 14.593 26.659 35.691 1.00 17.60 C ATOM 1002 C SER A 791 16.013 26.312 35.245 1.00 17.00 C ATOM 1003 O SER A 791 16.494 25.206 35.499 1.00 17.43 O ATOM 1004 CB SER A 791 13.644 26.551 34.495 1.00 19.42 C ATOM 1005 OG SER A 791 13.693 25.256 33.930 1.00 23.92 O ATOM 0 H SER A 791 13.992 28.536 35.867 1.00 16.00 H new ATOM 0 HA SER A 791 14.319 26.032 36.379 1.00 17.60 H new ATOM 0 HB2 SER A 791 12.738 26.751 34.777 1.00 19.42 H new ATOM 0 HB3 SER A 791 13.885 27.210 33.825 1.00 19.42 H new ATOM 0 HG SER A 791 13.408 24.696 34.487 1.00 23.92 H new ATOM 1006 N GLN A 792 16.673 27.257 34.579 1.00 17.34 N ATOM 1007 CA GLN A 792 18.038 27.047 34.099 1.00 18.83 C ATOM 1008 C GLN A 792 19.013 26.778 35.239 1.00 18.72 C ATOM 1009 O GLN A 792 19.960 26.000 35.088 1.00 18.32 O ATOM 1010 CB GLN A 792 18.521 28.264 33.308 1.00 19.40 C ATOM 1011 CG GLN A 792 17.853 28.456 31.961 1.00 23.29 C ATOM 1012 CD GLN A 792 18.454 29.613 31.191 1.00 25.39 C ATOM 1013 OE1 GLN A 792 18.329 30.773 31.589 1.00 26.42 O ATOM 1014 NE2 GLN A 792 19.126 29.302 30.089 1.00 25.87 N ATOM 0 H GLN A 792 16.346 28.031 34.394 1.00 17.34 H new ATOM 0 HA GLN A 792 18.016 26.265 33.526 1.00 18.83 H new ATOM 0 HB2 GLN A 792 18.375 29.060 33.843 1.00 19.40 H new ATOM 0 HB3 GLN A 792 19.478 28.186 33.171 1.00 19.40 H new ATOM 0 HG2 GLN A 792 17.938 27.642 31.440 1.00 23.29 H new ATOM 0 HG3 GLN A 792 16.904 28.612 32.090 1.00 23.29 H new ATOM 0 HE21 GLN A 792 19.192 28.481 29.843 1.00 25.87 H new ATOM 0 HE22 GLN A 792 19.496 29.922 29.621 1.00 25.87 H new ATOM 1015 N GLU A 793 18.786 27.421 36.379 1.00 17.58 N ATOM 1016 CA GLU A 793 19.669 27.233 37.520 1.00 19.33 C ATOM 1017 C GLU A 793 19.653 25.807 38.060 1.00 18.51 C ATOM 1018 O GLU A 793 20.646 25.345 38.622 1.00 16.95 O ATOM 1019 CB GLU A 793 19.331 28.249 38.613 1.00 20.91 C ATOM 1020 CG GLU A 793 19.852 29.634 38.262 1.00 26.59 C ATOM 1021 CD GLU A 793 19.611 30.652 39.343 1.00 31.71 C ATOM 1022 OE1 GLU A 793 18.448 31.064 39.515 1.00 35.81 O ATOM 1023 OE2 GLU A 793 20.584 31.037 40.024 1.00 35.85 O ATOM 0 H GLU A 793 18.133 27.965 36.511 1.00 17.58 H new ATOM 0 HA GLU A 793 20.576 27.387 37.212 1.00 19.33 H new ATOM 0 HB2 GLU A 793 18.370 28.285 38.738 1.00 20.91 H new ATOM 0 HB3 GLU A 793 19.716 27.961 39.455 1.00 20.91 H new ATOM 0 HG2 GLU A 793 20.804 29.579 38.085 1.00 26.59 H new ATOM 0 HG3 GLU A 793 19.428 29.934 37.443 1.00 26.59 H new ATOM 1024 N PHE A 794 18.542 25.097 37.887 1.00 16.74 N ATOM 1025 CA PHE A 794 18.488 23.714 38.345 1.00 17.11 C ATOM 1026 C PHE A 794 19.553 22.918 37.586 1.00 17.39 C ATOM 1027 O PHE A 794 20.145 21.975 38.115 1.00 17.70 O ATOM 1028 CB PHE A 794 17.101 23.111 38.090 1.00 16.22 C ATOM 1029 CG PHE A 794 16.063 23.525 39.094 1.00 17.25 C ATOM 1030 CD1 PHE A 794 16.179 23.150 40.427 1.00 16.18 C ATOM 1031 CD2 PHE A 794 14.957 24.271 38.703 1.00 18.89 C ATOM 1032 CE1 PHE A 794 15.204 23.508 41.363 1.00 16.05 C ATOM 1033 CE2 PHE A 794 13.978 24.635 39.630 1.00 18.91 C ATOM 1034 CZ PHE A 794 14.103 24.251 40.962 1.00 17.09 C ATOM 0 H PHE A 794 17.824 25.389 37.515 1.00 16.74 H new ATOM 0 HA PHE A 794 18.656 23.679 39.300 1.00 17.11 H new ATOM 0 HB2 PHE A 794 16.803 23.371 37.204 1.00 16.22 H new ATOM 0 HB3 PHE A 794 17.173 22.144 38.093 1.00 16.22 H new ATOM 0 HD1 PHE A 794 16.916 22.653 40.701 1.00 16.18 H new ATOM 0 HD2 PHE A 794 14.868 24.530 37.814 1.00 18.89 H new ATOM 0 HE1 PHE A 794 15.293 23.249 42.252 1.00 16.05 H new ATOM 0 HE2 PHE A 794 13.242 25.134 39.357 1.00 18.91 H new ATOM 0 HZ PHE A 794 13.451 24.491 41.580 1.00 17.09 H new ATOM 1035 N GLY A 795 19.797 23.310 36.339 1.00 17.90 N ATOM 1036 CA GLY A 795 20.802 22.633 35.539 1.00 18.13 C ATOM 1037 C GLY A 795 22.202 23.151 35.819 1.00 17.59 C ATOM 1038 O GLY A 795 23.132 22.361 35.994 1.00 19.46 O ATOM 0 H GLY A 795 19.395 23.959 35.944 1.00 17.90 H new ATOM 0 HA2 GLY A 795 20.769 21.681 35.720 1.00 18.13 H new ATOM 0 HA3 GLY A 795 20.597 22.751 34.598 1.00 18.13 H new ATOM 1039 N TRP A 796 22.356 24.471 35.879 1.00 17.51 N ATOM 1040 CA TRP A 796 23.667 25.063 36.130 1.00 18.42 C ATOM 1041 C TRP A 796 24.235 24.629 37.477 1.00 18.60 C ATOM 1042 O TRP A 796 25.436 24.368 37.595 1.00 20.72 O ATOM 1043 CB TRP A 796 23.599 26.595 36.073 1.00 19.40 C ATOM 1044 CG TRP A 796 23.158 27.145 34.739 1.00 20.32 C ATOM 1045 CD1 TRP A 796 23.320 26.563 33.512 1.00 20.65 C ATOM 1046 CD2 TRP A 796 22.517 28.404 34.503 1.00 21.47 C ATOM 1047 NE1 TRP A 796 22.820 27.383 32.528 1.00 21.19 N ATOM 1048 CE2 TRP A 796 22.321 28.520 33.108 1.00 22.17 C ATOM 1049 CE3 TRP A 796 22.089 29.447 35.335 1.00 23.61 C ATOM 1050 CZ2 TRP A 796 21.715 29.639 32.525 1.00 23.60 C ATOM 1051 CZ3 TRP A 796 21.483 30.562 34.753 1.00 25.90 C ATOM 1052 CH2 TRP A 796 21.304 30.646 33.361 1.00 24.19 C ATOM 0 H TRP A 796 21.718 25.039 35.778 1.00 17.51 H new ATOM 0 HA TRP A 796 24.258 24.743 35.430 1.00 18.42 H new ATOM 0 HB2 TRP A 796 22.988 26.907 36.758 1.00 19.40 H new ATOM 0 HB3 TRP A 796 24.474 26.956 36.287 1.00 19.40 H new ATOM 0 HD1 TRP A 796 23.712 25.733 33.364 1.00 20.65 H new ATOM 0 HE1 TRP A 796 22.820 27.210 31.685 1.00 21.19 H new ATOM 0 HE3 TRP A 796 22.206 29.398 36.256 1.00 23.61 H new ATOM 0 HZ2 TRP A 796 21.595 29.698 31.605 1.00 23.60 H new ATOM 0 HZ3 TRP A 796 21.193 31.260 35.295 1.00 25.90 H new ATOM 0 HH2 TRP A 796 20.898 31.401 32.999 1.00 24.19 H new ATOM 1053 N LEU A 797 23.372 24.552 38.488 1.00 17.71 N ATOM 1054 CA LEU A 797 23.792 24.149 39.827 1.00 16.60 C ATOM 1055 C LEU A 797 23.777 22.637 40.020 1.00 15.88 C ATOM 1056 O LEU A 797 24.140 22.144 41.084 1.00 16.26 O ATOM 1057 CB LEU A 797 22.895 24.804 40.886 1.00 18.30 C ATOM 1058 CG LEU A 797 23.001 26.326 41.006 1.00 18.46 C ATOM 1059 CD1 LEU A 797 21.933 26.857 41.953 1.00 19.63 C ATOM 1060 CD2 LEU A 797 24.395 26.695 41.500 1.00 21.94 C ATOM 0 H LEU A 797 22.534 24.730 38.418 1.00 17.71 H new ATOM 0 HA LEU A 797 24.708 24.449 39.931 1.00 16.60 H new ATOM 0 HB2 LEU A 797 21.973 24.576 40.689 1.00 18.30 H new ATOM 0 HB3 LEU A 797 23.105 24.414 41.749 1.00 18.30 H new ATOM 0 HG LEU A 797 22.857 26.731 40.136 1.00 18.46 H new ATOM 0 HD11 LEU A 797 22.011 27.822 42.020 1.00 19.63 H new ATOM 0 HD12 LEU A 797 21.055 26.627 41.612 1.00 19.63 H new ATOM 0 HD13 LEU A 797 22.053 26.461 42.830 1.00 19.63 H new ATOM 0 HD21 LEU A 797 24.466 27.659 41.577 1.00 21.94 H new ATOM 0 HD22 LEU A 797 24.549 26.289 42.367 1.00 21.94 H new ATOM 0 HD23 LEU A 797 25.058 26.372 40.870 1.00 21.94 H new ATOM 1061 N GLN A 798 23.356 21.907 38.992 1.00 15.86 N ATOM 1062 CA GLN A 798 23.297 20.453 39.060 1.00 15.54 C ATOM 1063 C GLN A 798 22.509 19.990 40.280 1.00 16.03 C ATOM 1064 O GLN A 798 22.949 19.120 41.036 1.00 17.35 O ATOM 1065 CB GLN A 798 24.712 19.869 39.094 1.00 17.78 C ATOM 1066 CG GLN A 798 25.457 20.027 37.785 1.00 18.51 C ATOM 1067 CD GLN A 798 26.887 19.532 37.867 1.00 19.73 C ATOM 1068 OE1 GLN A 798 27.174 18.543 38.540 1.00 22.98 O ATOM 1069 NE2 GLN A 798 27.787 20.207 37.167 1.00 23.66 N ATOM 0 H GLN A 798 23.099 22.238 38.241 1.00 15.86 H new ATOM 0 HA GLN A 798 22.839 20.133 38.267 1.00 15.54 H new ATOM 0 HB2 GLN A 798 25.217 20.302 39.800 1.00 17.78 H new ATOM 0 HB3 GLN A 798 24.661 18.927 39.318 1.00 17.78 H new ATOM 0 HG2 GLN A 798 24.989 19.540 37.089 1.00 18.51 H new ATOM 0 HG3 GLN A 798 25.456 20.962 37.527 1.00 18.51 H new ATOM 0 HE21 GLN A 798 27.548 20.894 36.708 1.00 23.66 H new ATOM 0 HE22 GLN A 798 28.610 19.958 37.171 1.00 23.66 H new ATOM 1070 N ILE A 799 21.334 20.584 40.463 1.00 14.81 N ATOM 1071 CA ILE A 799 20.466 20.230 41.575 1.00 16.17 C ATOM 1072 C ILE A 799 20.017 18.780 41.406 1.00 15.58 C ATOM 1073 O ILE A 799 19.539 18.392 40.339 1.00 16.69 O ATOM 1074 CB ILE A 799 19.216 21.141 41.611 1.00 15.91 C ATOM 1075 CG1 ILE A 799 19.635 22.606 41.771 1.00 17.83 C ATOM 1076 CG2 ILE A 799 18.286 20.710 42.747 1.00 15.22 C ATOM 1077 CD1 ILE A 799 20.406 22.894 43.034 1.00 19.95 C ATOM 0 H ILE A 799 21.021 21.199 39.949 1.00 14.81 H new ATOM 0 HA ILE A 799 20.957 20.344 42.404 1.00 16.17 H new ATOM 0 HB ILE A 799 18.734 21.054 40.774 1.00 15.91 H new ATOM 0 HG12 ILE A 799 20.176 22.862 41.008 1.00 17.83 H new ATOM 0 HG13 ILE A 799 18.841 23.163 41.755 1.00 17.83 H new ATOM 0 HG21 ILE A 799 17.506 21.286 42.763 1.00 15.22 H new ATOM 0 HG22 ILE A 799 18.007 19.792 42.606 1.00 15.22 H new ATOM 0 HG23 ILE A 799 18.755 20.779 43.593 1.00 15.22 H new ATOM 0 HD11 ILE A 799 20.636 23.836 43.066 1.00 19.95 H new ATOM 0 HD12 ILE A 799 19.861 22.668 43.804 1.00 19.95 H new ATOM 0 HD13 ILE A 799 21.218 22.363 43.046 1.00 19.95 H new ATOM 1078 N THR A 800 20.183 17.977 42.452 1.00 15.96 N ATOM 1079 CA THR A 800 19.785 16.575 42.391 1.00 15.36 C ATOM 1080 C THR A 800 18.297 16.462 42.703 1.00 15.36 C ATOM 1081 O THR A 800 17.707 17.370 43.288 1.00 15.11 O ATOM 1082 CB THR A 800 20.555 15.715 43.419 1.00 16.48 C ATOM 1083 OG1 THR A 800 20.101 16.030 44.742 1.00 16.90 O ATOM 1084 CG2 THR A 800 22.048 15.984 43.331 1.00 17.26 C ATOM 0 H THR A 800 20.523 18.223 43.203 1.00 15.96 H new ATOM 0 HA THR A 800 19.986 16.251 41.499 1.00 15.36 H new ATOM 0 HB THR A 800 20.390 14.779 43.223 1.00 16.48 H new ATOM 0 HG1 THR A 800 20.597 15.654 45.306 1.00 16.90 H new ATOM 0 HG21 THR A 800 22.515 15.437 43.982 1.00 17.26 H new ATOM 0 HG22 THR A 800 22.364 15.766 42.440 1.00 17.26 H new ATOM 0 HG23 THR A 800 22.220 16.921 43.515 1.00 17.26 H new ATOM 1085 N PRO A 801 17.667 15.347 42.313 1.00 15.41 N ATOM 1086 CA PRO A 801 16.238 15.195 42.596 1.00 14.99 C ATOM 1087 C PRO A 801 15.959 15.236 44.095 1.00 15.44 C ATOM 1088 O PRO A 801 14.913 15.718 44.527 1.00 16.09 O ATOM 1089 CB PRO A 801 15.909 13.837 41.977 1.00 15.26 C ATOM 1090 CG PRO A 801 16.878 13.755 40.824 1.00 15.79 C ATOM 1091 CD PRO A 801 18.154 14.251 41.458 1.00 15.06 C ATOM 0 HA PRO A 801 15.693 15.911 42.233 1.00 14.99 H new ATOM 0 HB2 PRO A 801 16.038 13.112 42.609 1.00 15.26 H new ATOM 0 HB3 PRO A 801 14.988 13.791 41.677 1.00 15.26 H new ATOM 0 HG2 PRO A 801 16.967 12.850 40.487 1.00 15.79 H new ATOM 0 HG3 PRO A 801 16.603 14.310 40.077 1.00 15.79 H new ATOM 0 HD2 PRO A 801 18.596 13.558 41.973 1.00 15.06 H new ATOM 0 HD3 PRO A 801 18.791 14.563 40.796 1.00 15.06 H new ATOM 1092 N GLN A 802 16.907 14.746 44.888 1.00 15.23 N ATOM 1093 CA GLN A 802 16.744 14.728 46.333 1.00 15.53 C ATOM 1094 C GLN A 802 16.874 16.130 46.931 1.00 15.28 C ATOM 1095 O GLN A 802 16.168 16.471 47.884 1.00 15.84 O ATOM 1096 CB GLN A 802 17.757 13.764 46.961 1.00 16.79 C ATOM 1097 CG GLN A 802 17.539 12.289 46.581 1.00 18.30 C ATOM 1098 CD GLN A 802 17.753 12.016 45.099 1.00 18.13 C ATOM 1099 OE1 GLN A 802 18.767 12.415 44.525 1.00 18.76 O ATOM 1100 NE2 GLN A 802 16.803 11.325 44.476 1.00 18.52 N ATOM 0 H GLN A 802 17.651 14.420 44.607 1.00 15.23 H new ATOM 0 HA GLN A 802 15.848 14.415 46.535 1.00 15.53 H new ATOM 0 HB2 GLN A 802 18.651 14.029 46.692 1.00 16.79 H new ATOM 0 HB3 GLN A 802 17.714 13.849 47.926 1.00 16.79 H new ATOM 0 HG2 GLN A 802 18.145 11.735 47.097 1.00 18.30 H new ATOM 0 HG3 GLN A 802 16.638 12.028 46.826 1.00 18.30 H new ATOM 0 HE21 GLN A 802 16.108 11.062 44.909 1.00 18.52 H new ATOM 0 HE22 GLN A 802 16.884 11.141 43.640 1.00 18.52 H new ATOM 1101 N GLU A 803 17.774 16.943 46.384 1.00 15.05 N ATOM 1102 CA GLU A 803 17.925 18.310 46.870 1.00 15.65 C ATOM 1103 C GLU A 803 16.646 19.068 46.526 1.00 14.59 C ATOM 1104 O GLU A 803 16.148 19.854 47.334 1.00 15.87 O ATOM 1105 CB GLU A 803 19.129 18.998 46.220 1.00 15.29 C ATOM 1106 CG GLU A 803 20.474 18.445 46.677 1.00 17.29 C ATOM 1107 CD GLU A 803 21.642 19.062 45.934 1.00 18.53 C ATOM 1108 OE1 GLU A 803 21.491 19.340 44.729 1.00 17.77 O ATOM 1109 OE2 GLU A 803 22.716 19.253 46.550 1.00 20.22 O ATOM 0 H GLU A 803 18.300 16.726 45.739 1.00 15.05 H new ATOM 0 HA GLU A 803 18.077 18.301 47.828 1.00 15.65 H new ATOM 0 HB2 GLU A 803 19.062 18.907 45.257 1.00 15.29 H new ATOM 0 HB3 GLU A 803 19.095 19.947 46.418 1.00 15.29 H new ATOM 0 HG2 GLU A 803 20.579 18.605 47.628 1.00 17.29 H new ATOM 0 HG3 GLU A 803 20.485 17.484 46.548 1.00 17.29 H new ATOM 1110 N PHE A 804 16.119 18.828 45.327 1.00 14.00 N ATOM 1111 CA PHE A 804 14.890 19.479 44.893 1.00 13.09 C ATOM 1112 C PHE A 804 13.751 19.182 45.867 1.00 12.91 C ATOM 1113 O PHE A 804 13.049 20.097 46.302 1.00 13.80 O ATOM 1114 CB PHE A 804 14.484 19.009 43.490 1.00 13.93 C ATOM 1115 CG PHE A 804 13.056 19.337 43.137 1.00 13.32 C ATOM 1116 CD1 PHE A 804 12.667 20.653 42.912 1.00 14.62 C ATOM 1117 CD2 PHE A 804 12.091 18.332 43.086 1.00 14.61 C ATOM 1118 CE1 PHE A 804 11.331 20.967 42.641 1.00 14.94 C ATOM 1119 CE2 PHE A 804 10.756 18.632 42.818 1.00 15.46 C ATOM 1120 CZ PHE A 804 10.373 19.952 42.595 1.00 14.76 C ATOM 0 H PHE A 804 16.460 18.290 44.750 1.00 14.00 H new ATOM 0 HA PHE A 804 15.058 20.434 44.872 1.00 13.09 H new ATOM 0 HB2 PHE A 804 15.073 19.417 42.837 1.00 13.93 H new ATOM 0 HB3 PHE A 804 14.613 18.050 43.428 1.00 13.93 H new ATOM 0 HD1 PHE A 804 13.302 21.332 42.942 1.00 14.62 H new ATOM 0 HD2 PHE A 804 12.341 17.448 43.233 1.00 14.61 H new ATOM 0 HE1 PHE A 804 11.081 21.850 42.492 1.00 14.94 H new ATOM 0 HE2 PHE A 804 10.123 17.952 42.788 1.00 15.46 H new ATOM 0 HZ PHE A 804 9.484 20.157 42.416 1.00 14.76 H new ATOM 1121 N LEU A 805 13.569 17.908 46.210 1.00 13.35 N ATOM 1122 CA LEU A 805 12.495 17.533 47.124 1.00 13.45 C ATOM 1123 C LEU A 805 12.632 18.207 48.481 1.00 13.91 C ATOM 1124 O LEU A 805 11.662 18.744 49.007 1.00 14.83 O ATOM 1125 CB LEU A 805 12.445 16.014 47.311 1.00 14.42 C ATOM 1126 CG LEU A 805 11.989 15.183 46.113 1.00 15.95 C ATOM 1127 CD1 LEU A 805 12.115 13.709 46.453 1.00 17.06 C ATOM 1128 CD2 LEU A 805 10.552 15.530 45.743 1.00 16.92 C ATOM 0 H LEU A 805 14.051 17.254 45.928 1.00 13.35 H new ATOM 0 HA LEU A 805 11.668 17.838 46.720 1.00 13.45 H new ATOM 0 HB2 LEU A 805 13.330 15.712 47.568 1.00 14.42 H new ATOM 0 HB3 LEU A 805 11.853 15.821 48.055 1.00 14.42 H new ATOM 0 HG LEU A 805 12.550 15.382 45.348 1.00 15.95 H new ATOM 0 HD11 LEU A 805 11.827 13.176 45.695 1.00 17.06 H new ATOM 0 HD12 LEU A 805 13.040 13.502 46.660 1.00 17.06 H new ATOM 0 HD13 LEU A 805 11.559 13.505 47.221 1.00 17.06 H new ATOM 0 HD21 LEU A 805 10.276 14.996 44.982 1.00 16.92 H new ATOM 0 HD22 LEU A 805 9.970 15.344 46.496 1.00 16.92 H new ATOM 0 HD23 LEU A 805 10.495 16.471 45.515 1.00 16.92 H new ATOM 1129 N CYS A 806 13.833 18.189 49.052 1.00 13.78 N ATOM 1130 CA CYS A 806 14.036 18.804 50.359 1.00 15.05 C ATOM 1131 C CYS A 806 13.852 20.319 50.303 1.00 14.52 C ATOM 1132 O CYS A 806 13.262 20.913 51.206 1.00 14.60 O ATOM 1133 CB CYS A 806 15.433 18.486 50.896 1.00 16.58 C ATOM 1134 SG ACYS A 806 15.585 18.805 52.667 0.50 11.61 S ATOM 1135 SG BCYS A 806 15.780 16.751 51.239 0.50 26.86 S ATOM 0 H CYS A 806 14.534 17.831 48.705 1.00 13.78 H new ATOM 0 HA CYS A 806 13.367 18.433 50.955 1.00 15.05 H new ATOM 0 HB2ACYS A 806 15.639 17.555 50.720 0.50 16.58 H new ATOM 0 HB2BCYS A 806 16.086 18.806 50.254 0.50 16.58 H new ATOM 0 HB3ACYS A 806 16.088 19.017 50.418 0.50 16.58 H new ATOM 0 HB3BCYS A 806 15.567 18.991 51.713 0.50 16.58 H new ATOM 0 HG ACYS A 806 16.520 18.194 53.105 0.50 26.86 H new ATOM 0 HG BCYS A 806 16.902 16.641 51.650 0.50 26.86 H new ATOM 1136 N MET A 807 14.370 20.950 49.255 1.00 14.21 N ATOM 1137 CA MET A 807 14.223 22.392 49.120 1.00 14.15 C ATOM 1138 C MET A 807 12.764 22.789 48.962 1.00 13.83 C ATOM 1139 O MET A 807 12.328 23.790 49.530 1.00 14.44 O ATOM 1140 CB MET A 807 15.023 22.915 47.927 1.00 14.96 C ATOM 1141 CG AMET A 807 16.518 22.964 48.163 0.50 15.50 C ATOM 1142 CG BMET A 807 16.529 22.806 48.105 0.50 15.00 C ATOM 1143 SD AMET A 807 17.360 23.828 46.828 0.50 16.65 S ATOM 1144 SD BMET A 807 17.417 22.962 46.539 0.50 15.46 S ATOM 1145 CE AMET A 807 17.502 22.468 45.591 0.50 14.91 C ATOM 1146 CE BMET A 807 17.402 24.774 46.301 0.50 13.33 C ATOM 0 H MET A 807 14.804 20.567 48.619 1.00 14.21 H new ATOM 0 HA MET A 807 14.568 22.790 49.934 1.00 14.15 H new ATOM 0 HB2AMET A 807 14.844 22.352 47.158 0.50 14.96 H new ATOM 0 HB2BMET A 807 14.763 22.423 47.133 0.50 14.96 H new ATOM 0 HB3AMET A 807 14.710 23.806 47.705 0.50 14.96 H new ATOM 0 HB3BMET A 807 14.790 23.844 47.774 0.50 14.96 H new ATOM 0 HG2AMET A 807 16.701 23.409 49.005 0.50 15.00 H new ATOM 0 HG2BMET A 807 16.831 23.496 48.716 0.50 15.00 H new ATOM 0 HG3AMET A 807 16.866 22.062 48.238 0.50 15.00 H new ATOM 0 HG3BMET A 807 16.744 21.952 48.513 0.50 15.00 H new ATOM 0 HE1AMET A 807 17.409 22.833 44.697 0.50 13.33 H new ATOM 0 HE1BMET A 807 18.254 25.060 45.936 0.50 13.33 H new ATOM 0 HE2AMET A 807 18.369 22.041 45.677 0.50 13.33 H new ATOM 0 HE2BMET A 807 16.690 25.014 45.687 0.50 13.33 H new ATOM 0 HE3AMET A 807 16.803 21.814 45.747 0.50 13.33 H new ATOM 0 HE3BMET A 807 17.254 25.211 47.154 0.50 13.33 H new ATOM 1147 N LYS A 808 12.007 22.009 48.195 1.00 14.45 N ATOM 1148 CA LYS A 808 10.601 22.336 47.997 1.00 13.97 C ATOM 1149 C LYS A 808 9.845 22.253 49.319 1.00 15.05 C ATOM 1150 O LYS A 808 8.997 23.095 49.607 1.00 14.19 O ATOM 1151 CB LYS A 808 9.970 21.413 46.949 1.00 15.03 C ATOM 1152 CG LYS A 808 8.510 21.746 46.639 1.00 15.42 C ATOM 1153 CD LYS A 808 8.076 21.182 45.291 1.00 17.41 C ATOM 1154 CE LYS A 808 8.197 19.664 45.238 1.00 15.36 C ATOM 1155 NZ LYS A 808 7.329 18.996 46.250 1.00 16.03 N ATOM 0 H LYS A 808 12.281 21.302 47.789 1.00 14.45 H new ATOM 0 HA LYS A 808 10.542 23.246 47.668 1.00 13.97 H new ATOM 0 HB2 LYS A 808 10.487 21.466 46.130 1.00 15.03 H new ATOM 0 HB3 LYS A 808 10.025 20.496 47.261 1.00 15.03 H new ATOM 0 HG2 LYS A 808 7.941 21.388 47.338 1.00 15.42 H new ATOM 0 HG3 LYS A 808 8.390 22.709 46.641 1.00 15.42 H new ATOM 0 HD2 LYS A 808 7.157 21.438 45.116 1.00 17.41 H new ATOM 0 HD3 LYS A 808 8.619 21.573 44.588 1.00 17.41 H new ATOM 0 HE2 LYS A 808 7.957 19.352 44.351 1.00 15.36 H new ATOM 0 HE3 LYS A 808 9.121 19.409 45.387 1.00 15.36 H new ATOM 0 HZ1 LYS A 808 7.160 18.161 45.992 1.00 16.03 H new ATOM 0 HZ2 LYS A 808 7.745 18.985 47.037 1.00 16.03 H new ATOM 0 HZ3 LYS A 808 6.563 19.443 46.326 1.00 16.03 H new ATOM 1156 N ALA A 809 10.157 21.249 50.131 1.00 14.99 N ATOM 1157 CA ALA A 809 9.504 21.120 51.430 1.00 15.13 C ATOM 1158 C ALA A 809 9.858 22.339 52.285 1.00 15.61 C ATOM 1159 O ALA A 809 8.999 22.900 52.959 1.00 15.66 O ATOM 1160 CB ALA A 809 9.942 19.827 52.129 1.00 15.46 C ATOM 0 H ALA A 809 10.736 20.639 49.953 1.00 14.99 H new ATOM 0 HA ALA A 809 8.543 21.078 51.306 1.00 15.13 H new ATOM 0 HB1 ALA A 809 9.499 19.758 52.989 1.00 15.46 H new ATOM 0 HB2 ALA A 809 9.701 19.065 51.580 1.00 15.46 H new ATOM 0 HB3 ALA A 809 10.903 19.840 52.261 1.00 15.46 H new ATOM 1161 N LEU A 810 11.119 22.764 52.248 1.00 15.70 N ATOM 1162 CA LEU A 810 11.532 23.931 53.026 1.00 16.65 C ATOM 1163 C LEU A 810 10.778 25.193 52.629 1.00 16.82 C ATOM 1164 O LEU A 810 10.539 26.063 53.466 1.00 17.20 O ATOM 1165 CB LEU A 810 13.042 24.165 52.885 1.00 17.57 C ATOM 1166 CG ALEU A 810 13.692 25.204 53.806 0.50 14.89 C ATOM 1167 CG BLEU A 810 13.935 23.381 53.844 0.50 19.03 C ATOM 1168 CD1ALEU A 810 13.313 24.938 55.261 0.50 14.67 C ATOM 1169 CD1BLEU A 810 15.383 23.665 53.526 0.50 19.95 C ATOM 1170 CD2ALEU A 810 15.204 25.148 53.634 0.50 15.21 C ATOM 1171 CD2BLEU A 810 13.627 23.787 55.272 0.50 19.80 C ATOM 0 H LEU A 810 11.744 22.397 51.785 1.00 15.70 H new ATOM 0 HA LEU A 810 11.316 23.739 53.952 1.00 16.65 H new ATOM 0 HB2ALEU A 810 13.490 23.317 53.029 0.50 17.57 H new ATOM 0 HB2BLEU A 810 13.302 23.945 51.977 0.50 17.57 H new ATOM 0 HB3ALEU A 810 13.219 24.427 51.968 0.50 17.57 H new ATOM 0 HB3BLEU A 810 13.217 25.111 53.009 0.50 17.57 H new ATOM 0 HG ALEU A 810 13.373 26.089 53.568 0.50 19.03 H new ATOM 0 HG BLEU A 810 13.767 22.431 53.743 0.50 19.03 H new ATOM 0 HD11ALEU A 810 13.731 25.602 55.831 0.50 19.95 H new ATOM 0 HD11BLEU A 810 15.952 23.168 54.134 0.50 19.95 H new ATOM 0 HD12ALEU A 810 12.349 24.989 55.359 0.50 19.95 H new ATOM 0 HD12BLEU A 810 15.573 23.396 52.614 0.50 19.95 H new ATOM 0 HD13ALEU A 810 13.618 24.054 55.519 0.50 19.95 H new ATOM 0 HD13BLEU A 810 15.556 24.614 53.625 0.50 19.95 H new ATOM 0 HD21ALEU A 810 15.620 25.804 54.215 0.50 19.80 H new ATOM 0 HD21BLEU A 810 14.195 23.288 55.880 0.50 19.80 H new ATOM 0 HD22ALEU A 810 15.524 24.262 53.866 0.50 19.80 H new ATOM 0 HD22BLEU A 810 13.792 24.737 55.381 0.50 19.80 H new ATOM 0 HD23ALEU A 810 15.432 25.342 52.712 0.50 19.80 H new ATOM 0 HD23BLEU A 810 12.697 23.596 55.469 0.50 19.80 H new ATOM 1172 N LEU A 811 10.397 25.295 51.359 1.00 15.84 N ATOM 1173 CA LEU A 811 9.661 26.463 50.883 1.00 15.48 C ATOM 1174 C LEU A 811 8.308 26.620 51.567 1.00 16.98 C ATOM 1175 O LEU A 811 7.791 27.732 51.676 1.00 17.93 O ATOM 1176 CB LEU A 811 9.454 26.394 49.367 1.00 16.65 C ATOM 1177 CG LEU A 811 10.622 26.887 48.518 1.00 17.95 C ATOM 1178 CD1 LEU A 811 10.308 26.662 47.041 1.00 19.11 C ATOM 1179 CD2 LEU A 811 10.864 28.366 48.798 1.00 18.27 C ATOM 0 H LEU A 811 10.554 24.700 50.758 1.00 15.84 H new ATOM 0 HA LEU A 811 10.202 27.236 51.107 1.00 15.48 H new ATOM 0 HB2 LEU A 811 9.264 25.474 49.124 1.00 16.65 H new ATOM 0 HB3 LEU A 811 8.668 26.915 49.140 1.00 16.65 H new ATOM 0 HG LEU A 811 11.426 26.393 48.743 1.00 17.95 H new ATOM 0 HD11 LEU A 811 11.050 26.975 46.501 1.00 19.11 H new ATOM 0 HD12 LEU A 811 10.168 25.716 46.880 1.00 19.11 H new ATOM 0 HD13 LEU A 811 9.506 27.152 46.802 1.00 19.11 H new ATOM 0 HD21 LEU A 811 11.606 28.680 48.259 1.00 18.27 H new ATOM 0 HD22 LEU A 811 10.067 28.872 48.576 1.00 18.27 H new ATOM 0 HD23 LEU A 811 11.073 28.488 49.737 1.00 18.27 H new ATOM 1180 N LEU A 812 7.730 25.514 52.025 1.00 16.28 N ATOM 1181 CA LEU A 812 6.444 25.585 52.710 1.00 16.81 C ATOM 1182 C LEU A 812 6.599 26.298 54.055 1.00 16.96 C ATOM 1183 O LEU A 812 5.644 26.870 54.583 1.00 17.67 O ATOM 1184 CB LEU A 812 5.884 24.173 52.933 1.00 16.68 C ATOM 1185 CG LEU A 812 4.604 24.032 53.765 1.00 17.04 C ATOM 1186 CD1 LEU A 812 3.441 24.738 53.084 1.00 17.69 C ATOM 1187 CD2 LEU A 812 4.291 22.555 53.936 1.00 17.52 C ATOM 0 H LEU A 812 8.060 24.723 51.951 1.00 16.28 H new ATOM 0 HA LEU A 812 5.826 26.087 52.156 1.00 16.81 H new ATOM 0 HB2 LEU A 812 5.718 23.778 52.063 1.00 16.68 H new ATOM 0 HB3 LEU A 812 6.576 23.642 53.359 1.00 16.68 H new ATOM 0 HG LEU A 812 4.738 24.443 54.633 1.00 17.04 H new ATOM 0 HD11 LEU A 812 2.641 24.638 53.624 1.00 17.69 H new ATOM 0 HD12 LEU A 812 3.648 25.680 52.984 1.00 17.69 H new ATOM 0 HD13 LEU A 812 3.291 24.346 52.210 1.00 17.69 H new ATOM 0 HD21 LEU A 812 3.482 22.454 54.462 1.00 17.52 H new ATOM 0 HD22 LEU A 812 4.163 22.148 53.065 1.00 17.52 H new ATOM 0 HD23 LEU A 812 5.028 22.118 54.391 1.00 17.52 H new ATOM 1188 N PHE A 813 7.814 26.275 54.598 1.00 15.37 N ATOM 1189 CA PHE A 813 8.092 26.886 55.896 1.00 15.87 C ATOM 1190 C PHE A 813 8.989 28.109 55.778 1.00 16.74 C ATOM 1191 O PHE A 813 9.820 28.358 56.652 1.00 19.55 O ATOM 1192 CB PHE A 813 8.762 25.851 56.808 1.00 17.12 C ATOM 1193 CG PHE A 813 8.052 24.527 56.837 1.00 18.62 C ATOM 1194 CD1 PHE A 813 6.744 24.436 57.309 1.00 20.54 C ATOM 1195 CD2 PHE A 813 8.677 23.376 56.368 1.00 19.10 C ATOM 1196 CE1 PHE A 813 6.070 23.215 57.311 1.00 19.42 C ATOM 1197 CE2 PHE A 813 8.012 22.153 56.365 1.00 19.79 C ATOM 1198 CZ PHE A 813 6.708 22.071 56.837 1.00 20.12 C ATOM 0 H PHE A 813 8.497 25.907 54.227 1.00 15.37 H new ATOM 0 HA PHE A 813 7.247 27.178 56.271 1.00 15.87 H new ATOM 0 HB2 PHE A 813 9.675 25.713 56.512 1.00 17.12 H new ATOM 0 HB3 PHE A 813 8.806 26.206 57.710 1.00 17.12 H new ATOM 0 HD1 PHE A 813 6.316 25.198 57.626 1.00 20.54 H new ATOM 0 HD2 PHE A 813 9.550 23.424 56.052 1.00 19.10 H new ATOM 0 HE1 PHE A 813 5.197 23.165 57.628 1.00 19.42 H new ATOM 0 HE2 PHE A 813 8.440 21.391 56.047 1.00 19.79 H new ATOM 0 HZ PHE A 813 6.262 21.255 56.837 1.00 20.12 H new ATOM 1199 N SER A 814 8.805 28.882 54.714 1.00 16.62 N ATOM 1200 CA SER A 814 9.639 30.054 54.481 1.00 16.38 C ATOM 1201 C SER A 814 8.918 31.399 54.426 1.00 17.14 C ATOM 1202 O SER A 814 9.486 32.386 53.975 1.00 18.23 O ATOM 1203 CB SER A 814 10.442 29.848 53.196 1.00 17.64 C ATOM 1204 OG SER A 814 11.279 28.712 53.322 1.00 19.55 O ATOM 0 H SER A 814 8.203 28.745 54.115 1.00 16.62 H new ATOM 0 HA SER A 814 10.207 30.118 55.265 1.00 16.38 H new ATOM 0 HB2 SER A 814 9.839 29.733 52.445 1.00 17.64 H new ATOM 0 HB3 SER A 814 10.978 30.635 53.012 1.00 17.64 H new ATOM 0 HG SER A 814 10.809 28.016 53.318 1.00 19.55 H new ATOM 1205 N ILE A 815 7.669 31.441 54.874 1.00 18.27 N ATOM 1206 CA ILE A 815 6.914 32.693 54.889 1.00 19.37 C ATOM 1207 C ILE A 815 5.981 32.691 56.095 1.00 21.49 C ATOM 1208 O ILE A 815 5.158 31.788 56.253 1.00 22.71 O ATOM 1209 CB ILE A 815 6.112 32.898 53.573 1.00 19.80 C ATOM 1210 CG1AILE A 815 5.305 34.196 53.655 0.50 21.72 C ATOM 1211 CG1BILE A 815 7.071 33.127 52.403 0.50 20.15 C ATOM 1212 CG2AILE A 815 5.230 31.686 53.298 0.50 20.79 C ATOM 1213 CG2BILE A 815 5.173 34.091 53.714 0.50 21.56 C ATOM 1214 CD1AILE A 815 5.023 34.820 52.306 0.50 21.22 C ATOM 1215 CD1BILE A 815 6.386 33.227 51.051 0.50 22.88 C ATOM 0 H ILE A 815 7.239 30.759 55.173 1.00 18.27 H new ATOM 0 HA ILE A 815 7.537 33.433 54.956 1.00 19.37 H new ATOM 0 HB AILE A 815 6.725 32.980 52.826 0.50 19.80 H new ATOM 0 HB BILE A 815 5.587 32.101 53.399 0.50 19.80 H new ATOM 0 HG12AILE A 815 4.463 34.017 54.102 0.50 20.15 H new ATOM 0 HG12BILE A 815 7.572 33.942 52.562 0.50 20.15 H new ATOM 0 HG13AILE A 815 5.788 34.834 54.204 0.50 20.15 H new ATOM 0 HG13BILE A 815 7.713 32.400 52.377 0.50 20.15 H new ATOM 0 HG21AILE A 815 4.735 31.826 52.475 0.50 21.56 H new ATOM 0 HG21BILE A 815 4.677 34.212 52.889 0.50 21.56 H new ATOM 0 HG22AILE A 815 5.785 30.895 53.211 0.50 21.56 H new ATOM 0 HG22BILE A 815 4.553 33.931 54.443 0.50 21.56 H new ATOM 0 HG23AILE A 815 4.608 31.565 54.032 0.50 21.56 H new ATOM 0 HG23BILE A 815 5.690 34.890 53.900 0.50 21.56 H new ATOM 0 HD11AILE A 815 4.511 35.635 52.427 0.50 22.88 H new ATOM 0 HD11BILE A 815 7.052 33.371 50.361 0.50 22.88 H new ATOM 0 HD12AILE A 815 5.861 35.028 51.864 0.50 22.88 H new ATOM 0 HD12BILE A 815 5.906 32.404 50.870 0.50 22.88 H new ATOM 0 HD13AILE A 815 4.516 34.198 51.761 0.50 22.88 H new ATOM 0 HD13BILE A 815 5.762 33.970 51.058 0.50 22.88 H new ATOM 1216 N ILE A 816 6.121 33.704 56.948 1.00 22.21 N ATOM 1217 CA ILE A 816 5.314 33.785 58.159 1.00 23.99 C ATOM 1218 C ILE A 816 4.834 35.195 58.502 1.00 23.18 C ATOM 1219 O ILE A 816 5.384 36.187 58.026 1.00 23.23 O ATOM 1220 CB ILE A 816 6.099 33.249 59.371 1.00 25.79 C ATOM 1221 CG1 ILE A 816 7.443 33.972 59.473 1.00 26.70 C ATOM 1222 CG2 ILE A 816 6.297 31.741 59.244 1.00 28.30 C ATOM 1223 CD1 ILE A 816 8.273 33.571 60.680 1.00 30.17 C ATOM 0 H ILE A 816 6.677 34.352 56.843 1.00 22.21 H new ATOM 0 HA ILE A 816 4.532 33.243 57.971 1.00 23.99 H new ATOM 0 HB ILE A 816 5.595 33.418 60.182 1.00 25.79 H new ATOM 0 HG12 ILE A 816 7.955 33.797 58.668 1.00 26.70 H new ATOM 0 HG13 ILE A 816 7.283 34.928 59.506 1.00 26.70 H new ATOM 0 HG21 ILE A 816 6.792 31.414 60.011 1.00 28.30 H new ATOM 0 HG22 ILE A 816 5.432 31.303 59.207 1.00 28.30 H new ATOM 0 HG23 ILE A 816 6.793 31.547 58.433 1.00 28.30 H new ATOM 0 HD11 ILE A 816 9.107 34.067 60.679 1.00 30.17 H new ATOM 0 HD12 ILE A 816 7.780 33.769 61.492 1.00 30.17 H new ATOM 0 HD13 ILE A 816 8.463 32.621 60.641 1.00 30.17 H new ATOM 1224 N PRO A 817 3.802 35.294 59.354 1.00 22.77 N ATOM 1225 CA PRO A 817 3.246 36.586 59.767 1.00 21.47 C ATOM 1226 C PRO A 817 4.091 37.312 60.808 1.00 21.83 C ATOM 1227 O PRO A 817 4.675 36.690 61.700 1.00 22.01 O ATOM 1228 CB PRO A 817 1.872 36.207 60.308 1.00 22.61 C ATOM 1229 CG PRO A 817 2.117 34.866 60.905 1.00 24.53 C ATOM 1230 CD PRO A 817 2.972 34.184 59.858 1.00 24.87 C ATOM 0 HA PRO A 817 3.215 37.220 59.034 1.00 21.47 H new ATOM 0 HB2 PRO A 817 1.556 36.844 60.968 1.00 22.61 H new ATOM 0 HB3 PRO A 817 1.204 36.172 59.605 1.00 22.61 H new ATOM 0 HG2 PRO A 817 2.575 34.930 61.758 1.00 24.53 H new ATOM 0 HG3 PRO A 817 1.289 34.385 61.063 1.00 24.53 H new ATOM 0 HD2 PRO A 817 3.511 33.473 60.239 1.00 24.87 H new ATOM 0 HD3 PRO A 817 2.434 33.787 59.155 1.00 24.87 H new ATOM 1231 N VAL A 818 4.149 38.634 60.687 1.00 21.99 N ATOM 1232 CA VAL A 818 4.906 39.458 61.624 1.00 21.98 C ATOM 1233 C VAL A 818 4.316 39.338 63.029 1.00 22.87 C ATOM 1234 O VAL A 818 5.045 39.377 64.019 1.00 22.42 O ATOM 1235 CB VAL A 818 4.890 40.949 61.198 1.00 22.90 C ATOM 1236 CG1 VAL A 818 5.490 41.819 62.298 1.00 24.36 C ATOM 1237 CG2 VAL A 818 5.680 41.125 59.911 1.00 25.97 C ATOM 0 H VAL A 818 3.754 39.077 60.064 1.00 21.99 H new ATOM 0 HA VAL A 818 5.822 39.139 61.622 1.00 21.98 H new ATOM 0 HB VAL A 818 3.971 41.223 61.049 1.00 22.90 H new ATOM 0 HG11 VAL A 818 5.475 42.748 62.020 1.00 24.36 H new ATOM 0 HG12 VAL A 818 4.971 41.716 63.111 1.00 24.36 H new ATOM 0 HG13 VAL A 818 6.406 41.546 62.463 1.00 24.36 H new ATOM 0 HG21 VAL A 818 5.667 42.059 59.648 1.00 25.97 H new ATOM 0 HG22 VAL A 818 6.597 40.842 60.053 1.00 25.97 H new ATOM 0 HG23 VAL A 818 5.281 40.587 59.210 1.00 25.97 H new ATOM 1238 N ASP A 819 2.998 39.185 63.109 1.00 22.61 N ATOM 1239 CA ASP A 819 2.325 39.062 64.400 1.00 24.13 C ATOM 1240 C ASP A 819 2.480 37.678 65.024 1.00 23.18 C ATOM 1241 O ASP A 819 2.012 37.434 66.139 1.00 23.37 O ATOM 1242 CB ASP A 819 0.838 39.406 64.260 1.00 28.25 C ATOM 1243 CG ASP A 819 0.587 40.902 64.215 1.00 33.84 C ATOM 1244 OD1 ASP A 819 1.568 41.679 64.229 1.00 37.45 O ATOM 1245 OD2 ASP A 819 -0.596 41.302 64.160 1.00 38.33 O ATOM 0 H ASP A 819 2.474 39.150 62.428 1.00 22.61 H new ATOM 0 HA ASP A 819 2.756 39.693 64.997 1.00 24.13 H new ATOM 0 HB2 ASP A 819 0.490 38.999 63.451 1.00 28.25 H new ATOM 0 HB3 ASP A 819 0.349 39.022 65.004 1.00 28.25 H new ATOM 1246 N GLY A 820 3.132 36.774 64.298 1.00 21.67 N ATOM 1247 CA GLY A 820 3.361 35.435 64.807 1.00 21.93 C ATOM 1248 C GLY A 820 2.264 34.425 64.535 1.00 22.26 C ATOM 1249 O GLY A 820 1.091 34.775 64.409 1.00 22.99 O ATOM 0 H GLY A 820 3.447 36.919 63.511 1.00 21.67 H new ATOM 0 HA2 GLY A 820 4.187 35.100 64.425 1.00 21.93 H new ATOM 0 HA3 GLY A 820 3.494 35.491 65.766 1.00 21.93 H new ATOM 1250 N LEU A 821 2.661 33.160 64.443 1.00 21.70 N ATOM 1251 CA LEU A 821 1.725 32.068 64.211 1.00 22.01 C ATOM 1252 C LEU A 821 1.073 31.705 65.546 1.00 23.01 C ATOM 1253 O LEU A 821 1.479 32.216 66.592 1.00 24.31 O ATOM 1254 CB LEU A 821 2.473 30.857 63.649 1.00 20.90 C ATOM 1255 CG LEU A 821 3.040 31.024 62.238 1.00 18.65 C ATOM 1256 CD1 LEU A 821 4.002 29.893 61.933 1.00 20.78 C ATOM 1257 CD2 LEU A 821 1.897 31.048 61.234 1.00 18.98 C ATOM 0 H LEU A 821 3.481 32.911 64.513 1.00 21.70 H new ATOM 0 HA LEU A 821 1.047 32.336 63.571 1.00 22.01 H new ATOM 0 HB2 LEU A 821 3.203 30.641 64.250 1.00 20.90 H new ATOM 0 HB3 LEU A 821 1.871 30.097 63.650 1.00 20.90 H new ATOM 0 HG LEU A 821 3.526 31.861 62.177 1.00 18.65 H new ATOM 0 HD11 LEU A 821 4.358 30.004 61.038 1.00 20.78 H new ATOM 0 HD12 LEU A 821 4.730 29.905 62.574 1.00 20.78 H new ATOM 0 HD13 LEU A 821 3.534 29.045 61.992 1.00 20.78 H new ATOM 0 HD21 LEU A 821 2.255 31.154 60.339 1.00 18.98 H new ATOM 0 HD22 LEU A 821 1.402 30.216 61.287 1.00 18.98 H new ATOM 0 HD23 LEU A 821 1.305 31.790 61.435 1.00 18.98 H new ATOM 1258 N LYS A 822 0.059 30.843 65.511 1.00 23.95 N ATOM 1259 CA LYS A 822 -0.623 30.418 66.737 1.00 25.61 C ATOM 1260 C LYS A 822 0.408 29.835 67.695 1.00 26.31 C ATOM 1261 O LYS A 822 0.460 30.196 68.873 1.00 27.13 O ATOM 1262 CB LYS A 822 -1.682 29.357 66.433 1.00 28.66 C ATOM 1263 CG LYS A 822 -3.115 29.808 66.657 1.00 34.69 C ATOM 1264 CD LYS A 822 -3.594 30.718 65.543 1.00 36.54 C ATOM 1265 CE LYS A 822 -5.066 31.058 65.715 1.00 37.79 C ATOM 1266 NZ LYS A 822 -5.607 31.762 64.521 1.00 39.21 N ATOM 0 H LYS A 822 -0.251 30.492 64.790 1.00 23.95 H new ATOM 0 HA LYS A 822 -1.062 31.186 67.134 1.00 25.61 H new ATOM 0 HB2 LYS A 822 -1.585 29.076 65.510 1.00 28.66 H new ATOM 0 HB3 LYS A 822 -1.511 28.579 66.986 1.00 28.66 H new ATOM 0 HG2 LYS A 822 -3.694 29.032 66.713 1.00 34.69 H new ATOM 0 HG3 LYS A 822 -3.180 30.273 67.506 1.00 34.69 H new ATOM 0 HD2 LYS A 822 -3.068 31.533 65.538 1.00 36.54 H new ATOM 0 HD3 LYS A 822 -3.456 30.286 64.686 1.00 36.54 H new ATOM 0 HE2 LYS A 822 -5.571 30.244 65.869 1.00 37.79 H new ATOM 0 HE3 LYS A 822 -5.181 31.616 66.500 1.00 37.79 H new ATOM 0 HZ1 LYS A 822 -6.468 31.948 64.650 1.00 39.21 H new ATOM 0 HZ2 LYS A 822 -5.157 32.519 64.393 1.00 39.21 H new ATOM 0 HZ3 LYS A 822 -5.521 31.241 63.805 1.00 39.21 H new ATOM 1267 N ASN A 823 1.218 28.912 67.187 1.00 24.66 N ATOM 1268 CA ASN A 823 2.270 28.311 67.989 1.00 24.47 C ATOM 1269 C ASN A 823 3.557 28.429 67.188 1.00 23.24 C ATOM 1270 O ASN A 823 3.977 27.494 66.501 1.00 22.76 O ATOM 1271 CB ASN A 823 1.972 26.845 68.298 1.00 27.11 C ATOM 1272 CG ASN A 823 2.849 26.305 69.415 1.00 30.93 C ATOM 1273 OD1 ASN A 823 4.079 26.408 69.362 1.00 31.12 O ATOM 1274 ND2 ASN A 823 2.223 25.728 70.434 1.00 32.85 N ATOM 0 H ASN A 823 1.173 28.621 66.379 1.00 24.66 H new ATOM 0 HA ASN A 823 2.341 28.767 68.842 1.00 24.47 H new ATOM 0 HB2 ASN A 823 1.039 26.752 68.547 1.00 27.11 H new ATOM 0 HB3 ASN A 823 2.106 26.314 67.498 1.00 27.11 H new ATOM 0 HD21 ASN A 823 2.676 25.408 71.091 1.00 32.85 H new ATOM 0 HD22 ASN A 823 1.365 25.674 70.437 1.00 32.85 H new ATOM 1275 N GLN A 824 4.163 29.606 67.273 1.00 21.86 N ATOM 1276 CA GLN A 824 5.393 29.910 66.561 1.00 21.31 C ATOM 1277 C GLN A 824 6.525 28.954 66.917 1.00 21.32 C ATOM 1278 O GLN A 824 7.332 28.599 66.064 1.00 20.55 O ATOM 1279 CB GLN A 824 5.814 31.348 66.868 1.00 22.27 C ATOM 1280 CG GLN A 824 6.988 31.844 66.053 1.00 23.39 C ATOM 1281 CD GLN A 824 6.667 31.928 64.577 1.00 24.44 C ATOM 1282 OE1 GLN A 824 5.639 32.484 64.187 1.00 23.83 O ATOM 1283 NE2 GLN A 824 7.550 31.386 63.745 1.00 22.33 N ATOM 0 H GLN A 824 3.867 30.257 67.751 1.00 21.86 H new ATOM 0 HA GLN A 824 5.217 29.804 65.613 1.00 21.31 H new ATOM 0 HB2 GLN A 824 5.057 31.935 66.714 1.00 22.27 H new ATOM 0 HB3 GLN A 824 6.037 31.414 67.810 1.00 22.27 H new ATOM 0 HG2 GLN A 824 7.255 32.719 66.374 1.00 23.39 H new ATOM 0 HG3 GLN A 824 7.744 31.251 66.184 1.00 23.39 H new ATOM 0 HE21 GLN A 824 8.256 31.006 64.055 1.00 22.33 H new ATOM 0 HE22 GLN A 824 7.415 31.415 62.896 1.00 22.33 H new ATOM 1284 N LYS A 825 6.580 28.532 68.174 1.00 21.76 N ATOM 1285 CA LYS A 825 7.632 27.625 68.613 1.00 22.96 C ATOM 1286 C LYS A 825 7.624 26.294 67.870 1.00 22.63 C ATOM 1287 O LYS A 825 8.680 25.799 67.474 1.00 22.84 O ATOM 1288 CB LYS A 825 7.533 27.402 70.123 1.00 26.35 C ATOM 1289 CG LYS A 825 7.839 28.661 70.918 1.00 31.32 C ATOM 1290 CD LYS A 825 7.773 28.427 72.416 1.00 35.80 C ATOM 1291 CE LYS A 825 8.158 29.686 73.179 1.00 36.97 C ATOM 1292 NZ LYS A 825 8.130 29.476 74.654 1.00 41.36 N ATOM 0 H LYS A 825 6.020 28.758 68.786 1.00 21.76 H new ATOM 0 HA LYS A 825 8.479 28.049 68.401 1.00 22.96 H new ATOM 0 HB2 LYS A 825 6.641 27.093 70.344 1.00 26.35 H new ATOM 0 HB3 LYS A 825 8.149 26.700 70.384 1.00 26.35 H new ATOM 0 HG2 LYS A 825 8.723 28.983 70.682 1.00 31.32 H new ATOM 0 HG3 LYS A 825 7.209 29.357 70.673 1.00 31.32 H new ATOM 0 HD2 LYS A 825 6.876 28.155 72.665 1.00 35.80 H new ATOM 0 HD3 LYS A 825 8.368 27.701 72.660 1.00 35.80 H new ATOM 0 HE2 LYS A 825 9.047 29.967 72.910 1.00 36.97 H new ATOM 0 HE3 LYS A 825 7.550 30.404 72.944 1.00 36.97 H new ATOM 0 HZ1 LYS A 825 8.360 30.231 75.066 1.00 41.36 H new ATOM 0 HZ2 LYS A 825 7.310 29.239 74.905 1.00 41.36 H new ATOM 0 HZ3 LYS A 825 8.704 28.832 74.873 1.00 41.36 H new ATOM 1293 N PHE A 826 6.444 25.711 67.672 1.00 22.26 N ATOM 1294 CA PHE A 826 6.357 24.443 66.953 1.00 22.40 C ATOM 1295 C PHE A 826 6.804 24.623 65.506 1.00 20.84 C ATOM 1296 O PHE A 826 7.432 23.738 64.928 1.00 21.69 O ATOM 1297 CB PHE A 826 4.929 23.891 66.969 1.00 24.52 C ATOM 1298 CG PHE A 826 4.483 23.378 68.311 1.00 28.28 C ATOM 1299 CD1 PHE A 826 5.410 22.965 69.264 1.00 30.52 C ATOM 1300 CD2 PHE A 826 3.128 23.274 68.608 1.00 29.25 C ATOM 1301 CE1 PHE A 826 4.993 22.455 70.493 1.00 31.08 C ATOM 1302 CE2 PHE A 826 2.701 22.766 69.833 1.00 31.17 C ATOM 1303 CZ PHE A 826 3.636 22.356 70.776 1.00 32.00 C ATOM 0 H PHE A 826 5.692 26.028 67.942 1.00 22.26 H new ATOM 0 HA PHE A 826 6.941 23.812 67.402 1.00 22.40 H new ATOM 0 HB2 PHE A 826 4.320 24.589 66.682 1.00 24.52 H new ATOM 0 HB3 PHE A 826 4.863 23.172 66.321 1.00 24.52 H new ATOM 0 HD1 PHE A 826 6.319 23.030 69.079 1.00 30.52 H new ATOM 0 HD2 PHE A 826 2.499 23.547 67.980 1.00 29.25 H new ATOM 0 HE1 PHE A 826 5.621 22.182 71.122 1.00 31.08 H new ATOM 0 HE2 PHE A 826 1.792 22.701 70.019 1.00 31.17 H new ATOM 0 HZ PHE A 826 3.354 22.016 71.595 1.00 32.00 H new ATOM 1304 N PHE A 827 6.471 25.766 64.918 1.00 19.33 N ATOM 1305 CA PHE A 827 6.865 26.042 63.544 1.00 18.07 C ATOM 1306 C PHE A 827 8.382 26.184 63.434 1.00 18.17 C ATOM 1307 O PHE A 827 8.998 25.621 62.526 1.00 18.05 O ATOM 1308 CB PHE A 827 6.184 27.314 63.029 1.00 16.47 C ATOM 1309 CG PHE A 827 6.715 27.789 61.706 1.00 16.68 C ATOM 1310 CD1 PHE A 827 7.880 28.551 61.641 1.00 16.68 C ATOM 1311 CD2 PHE A 827 6.075 27.443 60.521 1.00 16.38 C ATOM 1312 CE1 PHE A 827 8.399 28.960 60.415 1.00 17.25 C ATOM 1313 CE2 PHE A 827 6.587 27.848 59.287 1.00 17.63 C ATOM 1314 CZ PHE A 827 7.752 28.608 59.237 1.00 18.29 C ATOM 0 H PHE A 827 6.019 26.392 65.296 1.00 19.33 H new ATOM 0 HA PHE A 827 6.581 25.293 62.997 1.00 18.07 H new ATOM 0 HB2 PHE A 827 5.231 27.151 62.947 1.00 16.47 H new ATOM 0 HB3 PHE A 827 6.295 28.019 63.685 1.00 16.47 H new ATOM 0 HD1 PHE A 827 8.317 28.790 62.427 1.00 16.68 H new ATOM 0 HD2 PHE A 827 5.296 26.936 60.551 1.00 16.38 H new ATOM 0 HE1 PHE A 827 9.177 29.468 60.385 1.00 17.25 H new ATOM 0 HE2 PHE A 827 6.151 27.611 58.501 1.00 17.63 H new ATOM 0 HZ PHE A 827 8.097 28.880 58.417 1.00 18.29 H new ATOM 1315 N ASP A 828 8.981 26.938 64.355 1.00 18.37 N ATOM 1316 CA ASP A 828 10.429 27.146 64.341 1.00 18.95 C ATOM 1317 C ASP A 828 11.176 25.820 64.451 1.00 19.84 C ATOM 1318 O ASP A 828 12.196 25.611 63.791 1.00 19.50 O ATOM 1319 CB ASP A 828 10.865 28.062 65.494 1.00 20.53 C ATOM 1320 CG ASP A 828 10.251 29.450 65.414 1.00 22.93 C ATOM 1321 OD1 ASP A 828 9.886 29.888 64.302 1.00 22.87 O ATOM 1322 OD2 ASP A 828 10.148 30.114 66.473 1.00 22.87 O ATOM 0 H ASP A 828 8.568 27.337 64.995 1.00 18.37 H new ATOM 0 HA ASP A 828 10.649 27.567 63.495 1.00 18.95 H new ATOM 0 HB2 ASP A 828 10.617 27.652 66.338 1.00 20.53 H new ATOM 0 HB3 ASP A 828 11.832 28.141 65.490 1.00 20.53 H new ATOM 1323 N GLU A 829 10.657 24.932 65.291 1.00 20.80 N ATOM 1324 CA GLU A 829 11.247 23.615 65.508 1.00 21.80 C ATOM 1325 C GLU A 829 11.190 22.789 64.225 1.00 21.20 C ATOM 1326 O GLU A 829 12.165 22.139 63.841 1.00 20.87 O ATOM 1327 CB GLU A 829 10.480 22.899 66.624 1.00 25.69 C ATOM 1328 CG GLU A 829 10.975 21.508 66.976 1.00 32.35 C ATOM 1329 CD GLU A 829 10.097 20.838 68.021 1.00 36.57 C ATOM 1330 OE1 GLU A 829 8.911 20.579 67.724 1.00 38.70 O ATOM 1331 OE2 GLU A 829 10.589 20.575 69.140 1.00 38.94 O ATOM 0 H GLU A 829 9.947 25.077 65.755 1.00 20.80 H new ATOM 0 HA GLU A 829 12.177 23.719 65.765 1.00 21.80 H new ATOM 0 HB2 GLU A 829 10.516 23.449 67.422 1.00 25.69 H new ATOM 0 HB3 GLU A 829 9.548 22.836 66.364 1.00 25.69 H new ATOM 0 HG2 GLU A 829 10.997 20.961 66.175 1.00 32.35 H new ATOM 0 HG3 GLU A 829 11.885 21.564 67.307 1.00 32.35 H new ATOM 1332 N LEU A 830 10.041 22.817 63.561 1.00 20.18 N ATOM 1333 CA LEU A 830 9.867 22.060 62.333 1.00 20.01 C ATOM 1334 C LEU A 830 10.781 22.586 61.227 1.00 19.48 C ATOM 1335 O LEU A 830 11.434 21.805 60.537 1.00 20.29 O ATOM 1336 CB LEU A 830 8.403 22.119 61.890 1.00 21.08 C ATOM 1337 CG LEU A 830 8.029 21.215 60.716 1.00 21.62 C ATOM 1338 CD1 LEU A 830 8.354 19.763 61.055 1.00 23.49 C ATOM 1339 CD2 LEU A 830 6.549 21.378 60.407 1.00 22.71 C ATOM 0 H LEU A 830 9.351 23.268 63.806 1.00 20.18 H new ATOM 0 HA LEU A 830 10.111 21.137 62.505 1.00 20.01 H new ATOM 0 HB2 LEU A 830 7.843 21.886 62.647 1.00 21.08 H new ATOM 0 HB3 LEU A 830 8.191 23.035 61.652 1.00 21.08 H new ATOM 0 HG LEU A 830 8.542 21.467 59.932 1.00 21.62 H new ATOM 0 HD11 LEU A 830 8.115 19.194 60.307 1.00 23.49 H new ATOM 0 HD12 LEU A 830 9.303 19.677 61.235 1.00 23.49 H new ATOM 0 HD13 LEU A 830 7.851 19.493 61.839 1.00 23.49 H new ATOM 0 HD21 LEU A 830 6.309 20.805 59.662 1.00 22.71 H new ATOM 0 HD22 LEU A 830 6.026 21.131 61.186 1.00 22.71 H new ATOM 0 HD23 LEU A 830 6.366 22.302 60.176 1.00 22.71 H new ATOM 1340 N ARG A 831 10.833 23.907 61.064 1.00 19.19 N ATOM 1341 CA ARG A 831 11.684 24.514 60.043 1.00 18.77 C ATOM 1342 C ARG A 831 13.138 24.127 60.296 1.00 19.81 C ATOM 1343 O ARG A 831 13.874 23.783 59.368 1.00 20.20 O ATOM 1344 CB ARG A 831 11.545 26.041 60.061 1.00 18.51 C ATOM 1345 CG ARG A 831 12.448 26.761 59.063 1.00 20.23 C ATOM 1346 CD ARG A 831 12.314 28.281 59.163 1.00 19.45 C ATOM 1347 NE ARG A 831 13.466 28.962 58.572 1.00 21.29 N ATOM 1348 CZ ARG A 831 13.640 29.160 57.270 1.00 21.04 C ATOM 1349 NH1 ARG A 831 12.727 28.738 56.400 1.00 22.53 N ATOM 1350 NH2 ARG A 831 14.738 29.760 56.834 1.00 21.00 N ATOM 0 H ARG A 831 10.383 24.469 61.535 1.00 19.19 H new ATOM 0 HA ARG A 831 11.406 24.189 59.172 1.00 18.77 H new ATOM 0 HB2 ARG A 831 10.622 26.274 59.874 1.00 18.51 H new ATOM 0 HB3 ARG A 831 11.744 26.364 60.954 1.00 18.51 H new ATOM 0 HG2 ARG A 831 13.371 26.507 59.221 1.00 20.23 H new ATOM 0 HG3 ARG A 831 12.226 26.476 58.163 1.00 20.23 H new ATOM 0 HD2 ARG A 831 11.503 28.566 58.713 1.00 19.45 H new ATOM 0 HD3 ARG A 831 12.227 28.539 60.094 1.00 19.45 H new ATOM 0 HE ARG A 831 14.074 29.255 59.105 1.00 21.29 H new ATOM 0 HH11 ARG A 831 12.020 28.335 56.680 1.00 22.53 H new ATOM 0 HH12 ARG A 831 12.843 28.868 55.558 1.00 22.53 H new ATOM 0 HH21 ARG A 831 15.337 30.021 57.394 1.00 21.00 H new ATOM 0 HH22 ARG A 831 14.852 29.889 55.991 1.00 21.00 H new ATOM 1351 N MET A 832 13.548 24.177 61.558 1.00 18.75 N ATOM 1352 CA MET A 832 14.913 23.817 61.908 1.00 21.60 C ATOM 1353 C MET A 832 15.218 22.379 61.504 1.00 20.50 C ATOM 1354 O MET A 832 16.295 22.090 60.987 1.00 20.96 O ATOM 1355 CB MET A 832 15.137 23.969 63.406 1.00 23.41 C ATOM 1356 CG MET A 832 16.589 23.812 63.809 1.00 31.81 C ATOM 1357 SD MET A 832 16.780 23.772 65.593 1.00 40.79 S ATOM 1358 CE MET A 832 15.600 25.065 66.096 1.00 38.66 C ATOM 0 H MET A 832 13.055 24.415 62.221 1.00 18.75 H new ATOM 0 HA MET A 832 15.507 24.415 61.428 1.00 21.60 H new ATOM 0 HB2 MET A 832 14.821 24.842 63.688 1.00 23.41 H new ATOM 0 HB3 MET A 832 14.603 23.309 63.876 1.00 23.41 H new ATOM 0 HG2 MET A 832 16.945 22.995 63.427 1.00 31.81 H new ATOM 0 HG3 MET A 832 17.108 24.546 63.444 1.00 31.81 H new ATOM 0 HE1 MET A 832 15.798 25.350 67.002 1.00 38.66 H new ATOM 0 HE2 MET A 832 15.675 25.823 65.496 1.00 38.66 H new ATOM 0 HE3 MET A 832 14.697 24.712 66.059 1.00 38.66 H new ATOM 1359 N ASN A 833 14.274 21.476 61.751 1.00 20.08 N ATOM 1360 CA ASN A 833 14.473 20.076 61.401 1.00 19.92 C ATOM 1361 C ASN A 833 14.605 19.867 59.897 1.00 20.20 C ATOM 1362 O ASN A 833 15.358 18.995 59.451 1.00 20.01 O ATOM 1363 CB ASN A 833 13.334 19.216 61.954 1.00 22.19 C ATOM 1364 CG ASN A 833 13.431 19.025 63.454 1.00 25.73 C ATOM 1365 OD1 ASN A 833 14.511 18.770 63.986 1.00 30.33 O ATOM 1366 ND2 ASN A 833 12.304 19.137 64.142 1.00 28.88 N ATOM 0 H ASN A 833 13.517 21.653 62.118 1.00 20.08 H new ATOM 0 HA ASN A 833 15.310 19.800 61.807 1.00 19.92 H new ATOM 0 HB2 ASN A 833 12.484 19.631 61.738 1.00 22.19 H new ATOM 0 HB3 ASN A 833 13.346 18.349 61.519 1.00 22.19 H new ATOM 0 HD21 ASN A 833 12.309 19.030 64.995 1.00 28.88 H new ATOM 0 HD22 ASN A 833 11.568 19.316 63.735 1.00 28.88 H new ATOM 1367 N TYR A 834 13.885 20.663 59.109 1.00 19.54 N ATOM 1368 CA TYR A 834 13.979 20.530 57.664 1.00 19.01 C ATOM 1369 C TYR A 834 15.313 21.064 57.158 1.00 19.22 C ATOM 1370 O TYR A 834 15.855 20.560 56.173 1.00 20.04 O ATOM 1371 CB TYR A 834 12.803 21.231 56.973 1.00 17.44 C ATOM 1372 CG TYR A 834 11.605 20.326 56.833 1.00 17.36 C ATOM 1373 CD1 TYR A 834 10.807 20.020 57.930 1.00 18.38 C ATOM 1374 CD2 TYR A 834 11.326 19.702 55.619 1.00 18.63 C ATOM 1375 CE1 TYR A 834 9.761 19.107 57.827 1.00 18.08 C ATOM 1376 CE2 TYR A 834 10.286 18.786 55.502 1.00 18.01 C ATOM 1377 CZ TYR A 834 9.513 18.492 56.610 1.00 17.88 C ATOM 1378 OH TYR A 834 8.519 17.554 56.504 1.00 18.71 O ATOM 0 H TYR A 834 13.347 21.274 59.387 1.00 19.54 H new ATOM 0 HA TYR A 834 13.933 19.587 57.443 1.00 19.01 H new ATOM 0 HB2 TYR A 834 12.554 22.019 57.481 1.00 17.44 H new ATOM 0 HB3 TYR A 834 13.081 21.536 56.095 1.00 17.44 H new ATOM 0 HD1 TYR A 834 10.975 20.432 58.746 1.00 18.38 H new ATOM 0 HD2 TYR A 834 11.845 19.902 54.873 1.00 18.63 H new ATOM 0 HE1 TYR A 834 9.234 18.912 58.568 1.00 18.08 H new ATOM 0 HE2 TYR A 834 10.112 18.375 54.686 1.00 18.01 H new ATOM 0 HH TYR A 834 8.184 17.414 57.261 1.00 18.71 H new ATOM 1379 N ILE A 835 15.849 22.076 57.836 1.00 19.15 N ATOM 1380 CA ILE A 835 17.139 22.623 57.449 1.00 19.29 C ATOM 1381 C ILE A 835 18.188 21.567 57.795 1.00 18.71 C ATOM 1382 O ILE A 835 19.139 21.364 57.043 1.00 19.38 O ATOM 1383 CB ILE A 835 17.429 23.950 58.186 1.00 19.21 C ATOM 1384 CG1 ILE A 835 16.553 25.058 57.591 1.00 18.85 C ATOM 1385 CG2 ILE A 835 18.914 24.320 58.062 1.00 20.65 C ATOM 1386 CD1 ILE A 835 16.634 26.385 58.321 1.00 20.59 C ATOM 0 H ILE A 835 15.484 22.455 58.516 1.00 19.15 H new ATOM 0 HA ILE A 835 17.152 22.827 56.501 1.00 19.29 H new ATOM 0 HB ILE A 835 17.222 23.845 59.128 1.00 19.21 H new ATOM 0 HG12 ILE A 835 16.809 25.195 56.665 1.00 18.85 H new ATOM 0 HG13 ILE A 835 15.630 24.759 57.589 1.00 18.85 H new ATOM 0 HG21 ILE A 835 19.080 25.154 58.529 1.00 20.65 H new ATOM 0 HG22 ILE A 835 19.456 23.617 58.453 1.00 20.65 H new ATOM 0 HG23 ILE A 835 19.145 24.423 57.126 1.00 20.65 H new ATOM 0 HD11 ILE A 835 16.055 27.030 57.886 1.00 20.59 H new ATOM 0 HD12 ILE A 835 16.351 26.266 59.241 1.00 20.59 H new ATOM 0 HD13 ILE A 835 17.548 26.709 58.303 1.00 20.59 H new ATOM 1387 N LYS A 836 17.999 20.881 58.921 1.00 19.92 N ATOM 1388 CA LYS A 836 18.926 19.826 59.328 1.00 20.91 C ATOM 1389 C LYS A 836 18.936 18.712 58.278 1.00 20.89 C ATOM 1390 O LYS A 836 19.990 18.164 57.951 1.00 20.23 O ATOM 1391 CB LYS A 836 18.517 19.240 60.682 1.00 23.05 C ATOM 1392 CG LYS A 836 19.439 18.131 61.168 1.00 28.13 C ATOM 1393 CD LYS A 836 18.927 17.472 62.441 1.00 33.28 C ATOM 1394 CE LYS A 836 18.867 18.448 63.605 1.00 34.44 C ATOM 1395 NZ LYS A 836 18.446 17.765 64.862 1.00 37.41 N ATOM 0 H LYS A 836 17.343 21.010 59.462 1.00 19.92 H new ATOM 0 HA LYS A 836 19.813 20.211 59.407 1.00 20.91 H new ATOM 0 HB2 LYS A 836 18.502 19.950 61.342 1.00 23.05 H new ATOM 0 HB3 LYS A 836 17.613 18.894 60.617 1.00 23.05 H new ATOM 0 HG2 LYS A 836 19.530 17.461 60.473 1.00 28.13 H new ATOM 0 HG3 LYS A 836 20.324 18.495 61.328 1.00 28.13 H new ATOM 0 HD2 LYS A 836 18.043 17.106 62.281 1.00 33.28 H new ATOM 0 HD3 LYS A 836 19.504 16.728 62.674 1.00 33.28 H new ATOM 0 HE2 LYS A 836 19.737 18.857 63.732 1.00 34.44 H new ATOM 0 HE3 LYS A 836 18.245 19.163 63.399 1.00 34.44 H new ATOM 0 HZ1 LYS A 836 18.419 18.356 65.527 1.00 37.41 H new ATOM 0 HZ2 LYS A 836 17.639 17.408 64.750 1.00 37.41 H new ATOM 0 HZ3 LYS A 836 19.029 17.123 65.061 1.00 37.41 H new ATOM 1396 N GLU A 837 17.761 18.366 57.757 1.00 19.47 N ATOM 1397 CA GLU A 837 17.681 17.324 56.739 1.00 18.25 C ATOM 1398 C GLU A 837 18.409 17.768 55.474 1.00 19.80 C ATOM 1399 O GLU A 837 19.056 16.956 54.805 1.00 19.54 O ATOM 1400 CB GLU A 837 16.221 16.987 56.408 1.00 19.36 C ATOM 1401 CG GLU A 837 15.469 16.252 57.515 1.00 23.18 C ATOM 1402 CD GLU A 837 16.199 15.012 58.017 1.00 25.39 C ATOM 1403 OE1 GLU A 837 16.704 14.227 57.187 1.00 28.01 O ATOM 1404 OE2 GLU A 837 16.262 14.818 59.251 1.00 29.10 O ATOM 0 H GLU A 837 17.008 18.718 57.976 1.00 19.47 H new ATOM 0 HA GLU A 837 18.107 16.527 57.091 1.00 18.25 H new ATOM 0 HB2 GLU A 837 15.750 17.810 56.205 1.00 19.36 H new ATOM 0 HB3 GLU A 837 16.201 16.444 55.605 1.00 19.36 H new ATOM 0 HG2 GLU A 837 15.326 16.859 58.258 1.00 23.18 H new ATOM 0 HG3 GLU A 837 14.594 15.994 57.187 1.00 23.18 H new ATOM 1405 N LEU A 838 18.305 19.052 55.138 1.00 18.70 N ATOM 1406 CA LEU A 838 18.997 19.557 53.958 1.00 19.25 C ATOM 1407 C LEU A 838 20.502 19.437 54.205 1.00 20.61 C ATOM 1408 O LEU A 838 21.260 19.119 53.292 1.00 20.64 O ATOM 1409 CB LEU A 838 18.619 21.015 53.673 1.00 20.21 C ATOM 1410 CG LEU A 838 19.203 21.588 52.375 1.00 19.89 C ATOM 1411 CD1 LEU A 838 18.711 20.769 51.191 1.00 21.95 C ATOM 1412 CD2 LEU A 838 18.799 23.048 52.214 1.00 24.00 C ATOM 0 H LEU A 838 17.847 19.637 55.572 1.00 18.70 H new ATOM 0 HA LEU A 838 18.737 19.036 53.182 1.00 19.25 H new ATOM 0 HB2 LEU A 838 17.652 21.084 53.636 1.00 20.21 H new ATOM 0 HB3 LEU A 838 18.915 21.564 54.416 1.00 20.21 H new ATOM 0 HG LEU A 838 20.171 21.541 52.413 1.00 19.89 H new ATOM 0 HD11 LEU A 838 19.080 21.132 50.371 1.00 21.95 H new ATOM 0 HD12 LEU A 838 18.996 19.848 51.294 1.00 21.95 H new ATOM 0 HD13 LEU A 838 17.742 20.805 51.153 1.00 21.95 H new ATOM 0 HD21 LEU A 838 19.174 23.399 51.391 1.00 24.00 H new ATOM 0 HD22 LEU A 838 17.832 23.115 52.183 1.00 24.00 H new ATOM 0 HD23 LEU A 838 19.134 23.561 52.966 1.00 24.00 H new ATOM 1413 N ASP A 839 20.935 19.675 55.441 1.00 20.89 N ATOM 1414 CA ASP A 839 22.360 19.548 55.753 1.00 22.59 C ATOM 1415 C ASP A 839 22.800 18.104 55.541 1.00 22.71 C ATOM 1416 O ASP A 839 23.868 17.845 54.980 1.00 24.51 O ATOM 1417 CB ASP A 839 22.663 19.933 57.206 1.00 23.90 C ATOM 1418 CG ASP A 839 22.464 21.409 57.480 1.00 26.65 C ATOM 1419 OD1 ASP A 839 22.793 22.234 56.605 1.00 27.42 O ATOM 1420 OD2 ASP A 839 21.998 21.743 58.590 1.00 30.38 O ATOM 0 H ASP A 839 20.434 19.906 56.101 1.00 20.89 H new ATOM 0 HA ASP A 839 22.841 20.150 55.164 1.00 22.59 H new ATOM 0 HB2 ASP A 839 22.091 19.419 57.798 1.00 23.90 H new ATOM 0 HB3 ASP A 839 23.579 19.691 57.415 1.00 23.90 H new ATOM 1421 N ARG A 840 21.976 17.163 55.994 1.00 22.58 N ATOM 1422 CA ARG A 840 22.302 15.746 55.856 1.00 23.14 C ATOM 1423 C ARG A 840 22.413 15.324 54.398 1.00 23.03 C ATOM 1424 O ARG A 840 23.289 14.535 54.042 1.00 23.20 O ATOM 1425 CB ARG A 840 21.256 14.870 56.553 1.00 26.11 C ATOM 1426 CG ARG A 840 21.226 14.968 58.077 1.00 32.35 C ATOM 1427 CD ARG A 840 20.704 13.658 58.667 1.00 38.41 C ATOM 1428 NE ARG A 840 20.220 13.776 60.042 1.00 42.36 N ATOM 1429 CZ ARG A 840 20.975 14.060 61.099 1.00 44.61 C ATOM 1430 NH1 ARG A 840 22.278 14.267 60.961 1.00 45.63 N ATOM 1431 NH2 ARG A 840 20.421 14.129 62.303 1.00 45.50 N ATOM 0 H ARG A 840 21.226 17.323 56.383 1.00 22.58 H new ATOM 0 HA ARG A 840 23.166 15.620 56.280 1.00 23.14 H new ATOM 0 HB2 ARG A 840 20.379 15.107 56.212 1.00 26.11 H new ATOM 0 HB3 ARG A 840 21.416 13.945 56.307 1.00 26.11 H new ATOM 0 HG2 ARG A 840 22.116 15.154 58.416 1.00 32.35 H new ATOM 0 HG3 ARG A 840 20.659 15.705 58.351 1.00 32.35 H new ATOM 0 HD2 ARG A 840 19.984 13.326 58.108 1.00 38.41 H new ATOM 0 HD3 ARG A 840 21.413 12.996 58.639 1.00 38.41 H new ATOM 0 HE ARG A 840 19.380 13.652 60.178 1.00 42.36 H new ATOM 0 HH11 ARG A 840 22.641 14.218 60.183 1.00 45.63 H new ATOM 0 HH12 ARG A 840 22.760 14.450 61.650 1.00 45.63 H new ATOM 0 HH21 ARG A 840 19.577 13.990 62.397 1.00 45.50 H new ATOM 0 HH22 ARG A 840 20.906 14.312 62.989 1.00 45.50 H new ATOM 1432 N ILE A 841 21.527 15.846 53.555 1.00 21.96 N ATOM 1433 CA ILE A 841 21.556 15.499 52.143 1.00 21.78 C ATOM 1434 C ILE A 841 22.823 16.041 51.493 1.00 22.50 C ATOM 1435 O ILE A 841 23.425 15.384 50.644 1.00 24.07 O ATOM 1436 CB ILE A 841 20.294 16.034 51.403 1.00 20.93 C ATOM 1437 CG1AILE A 841 19.043 15.316 51.914 0.50 17.91 C ATOM 1438 CG1BILE A 841 20.319 15.590 49.944 0.50 23.80 C ATOM 1439 CG2AILE A 841 20.477 15.903 49.898 0.50 21.94 C ATOM 1440 CG2BILE A 841 20.243 17.534 51.425 0.50 23.37 C ATOM 1441 CD1AILE A 841 17.740 15.900 51.388 0.50 19.43 C ATOM 1442 CD1BILE A 841 19.051 15.943 49.207 0.50 24.33 C ATOM 0 H ILE A 841 20.907 16.398 53.780 1.00 21.96 H new ATOM 0 HA ILE A 841 21.555 14.532 52.072 1.00 21.78 H new ATOM 0 HB AILE A 841 20.175 16.978 51.592 0.50 20.93 H new ATOM 0 HB BILE A 841 19.517 15.676 51.861 0.50 20.93 H new ATOM 0 HG12AILE A 841 19.093 14.380 51.663 0.50 23.80 H new ATOM 0 HG12BILE A 841 21.074 16.003 49.497 0.50 23.80 H new ATOM 0 HG13AILE A 841 19.034 15.350 52.883 0.50 23.80 H new ATOM 0 HG13BILE A 841 20.456 14.631 49.904 0.50 23.80 H new ATOM 0 HG21AILE A 841 19.687 16.238 49.445 0.50 23.37 H new ATOM 0 HG21BILE A 841 19.449 17.838 50.958 0.50 23.37 H new ATOM 0 HG22AILE A 841 21.251 16.417 49.620 0.50 23.37 H new ATOM 0 HG22BILE A 841 20.216 17.844 52.344 0.50 23.37 H new ATOM 0 HG23AILE A 841 20.609 14.970 49.668 0.50 23.37 H new ATOM 0 HG23BILE A 841 21.031 17.891 50.987 0.50 23.37 H new ATOM 0 HD11AILE A 841 16.992 15.400 51.750 0.50 24.33 H new ATOM 0 HD11BILE A 841 19.116 15.641 48.288 0.50 24.33 H new ATOM 0 HD12AILE A 841 17.669 16.829 51.659 0.50 24.33 H new ATOM 0 HD12BILE A 841 18.296 15.511 49.636 0.50 24.33 H new ATOM 0 HD13AILE A 841 17.728 15.844 50.420 0.50 24.33 H new ATOM 0 HD13BILE A 841 18.924 16.905 49.223 0.50 24.33 H new ATOM 1443 N ILE A 842 23.236 17.233 51.907 1.00 22.35 N ATOM 1444 CA ILE A 842 24.439 17.855 51.367 1.00 23.82 C ATOM 1445 C ILE A 842 25.703 17.104 51.794 1.00 25.33 C ATOM 1446 O ILE A 842 26.652 16.975 51.015 1.00 25.46 O ATOM 1447 CB ILE A 842 24.537 19.332 51.829 1.00 21.66 C ATOM 1448 CG1 ILE A 842 23.469 20.168 51.113 1.00 20.68 C ATOM 1449 CG2 ILE A 842 25.934 19.886 51.563 1.00 22.60 C ATOM 1450 CD1 ILE A 842 23.373 21.605 51.618 1.00 20.38 C ATOM 0 H ILE A 842 22.831 17.701 52.504 1.00 22.35 H new ATOM 0 HA ILE A 842 24.374 17.819 50.400 1.00 23.82 H new ATOM 0 HB ILE A 842 24.378 19.377 52.785 1.00 21.66 H new ATOM 0 HG12 ILE A 842 23.663 20.180 50.163 1.00 20.68 H new ATOM 0 HG13 ILE A 842 22.607 19.737 51.221 1.00 20.68 H new ATOM 0 HG21 ILE A 842 25.978 20.809 51.857 1.00 22.60 H new ATOM 0 HG22 ILE A 842 26.589 19.361 52.049 1.00 22.60 H new ATOM 0 HG23 ILE A 842 26.125 19.841 50.613 1.00 22.60 H new ATOM 0 HD11 ILE A 842 22.682 22.076 51.126 1.00 20.38 H new ATOM 0 HD12 ILE A 842 23.152 21.602 52.562 1.00 20.38 H new ATOM 0 HD13 ILE A 842 24.224 22.052 51.487 1.00 20.38 H new ATOM 1451 N ALA A 843 25.707 16.601 53.024 1.00 27.28 N ATOM 1452 CA ALA A 843 26.864 15.889 53.560 1.00 30.13 C ATOM 1453 C ALA A 843 27.009 14.449 53.077 1.00 33.15 C ATOM 1454 O ALA A 843 28.097 13.875 53.159 1.00 34.55 O ATOM 1455 CB ALA A 843 26.819 15.916 55.082 1.00 29.63 C ATOM 0 H ALA A 843 25.044 16.662 53.569 1.00 27.28 H new ATOM 0 HA ALA A 843 27.642 16.359 53.222 1.00 30.13 H new ATOM 0 HB1 ALA A 843 27.588 15.443 55.437 1.00 29.63 H new ATOM 0 HB2 ALA A 843 26.835 16.836 55.390 1.00 29.63 H new ATOM 0 HB3 ALA A 843 26.005 15.487 55.390 1.00 29.63 H new ATOM 1456 N CYS A 844 25.920 13.871 52.580 1.00 35.35 N ATOM 1457 CA CYS A 844 25.918 12.488 52.103 1.00 38.20 C ATOM 1458 C CYS A 844 27.223 12.042 51.448 1.00 40.08 C ATOM 1459 O CYS A 844 27.909 11.155 51.961 1.00 40.51 O ATOM 1460 CB CYS A 844 24.763 12.271 51.124 1.00 38.59 C ATOM 1461 SG CYS A 844 24.640 10.574 50.504 1.00 41.46 S ATOM 0 H CYS A 844 25.160 14.268 52.509 1.00 35.35 H new ATOM 0 HA CYS A 844 25.810 11.941 52.897 1.00 38.20 H new ATOM 0 HB2 CYS A 844 23.930 12.508 51.562 1.00 38.59 H new ATOM 0 HB3 CYS A 844 24.870 12.874 50.372 1.00 38.59 H new ATOM 0 HG CYS A 844 23.712 10.490 49.748 1.00 41.46 H new ATOM 1462 N LYS A 845 27.562 12.650 50.315 1.00 41.11 N ATOM 1463 CA LYS A 845 28.785 12.298 49.599 1.00 42.91 C ATOM 1464 C LYS A 845 29.899 13.330 49.757 1.00 43.41 C ATOM 1465 O LYS A 845 30.889 13.300 49.025 1.00 44.13 O ATOM 1466 CB LYS A 845 28.484 12.088 48.110 1.00 43.20 C ATOM 1467 CG LYS A 845 27.716 10.807 47.799 1.00 43.91 C ATOM 1468 CD LYS A 845 28.532 9.574 48.166 1.00 44.29 C ATOM 1469 CE LYS A 845 27.823 8.284 47.775 1.00 44.47 C ATOM 1470 NZ LYS A 845 26.552 8.076 48.523 1.00 44.71 N ATOM 0 H LYS A 845 27.097 13.270 49.943 1.00 41.11 H new ATOM 0 HA LYS A 845 29.106 11.474 49.997 1.00 42.91 H new ATOM 0 HB2 LYS A 845 27.974 12.846 47.784 1.00 43.20 H new ATOM 0 HB3 LYS A 845 29.321 12.078 47.620 1.00 43.20 H new ATOM 0 HG2 LYS A 845 26.879 10.802 48.289 1.00 43.91 H new ATOM 0 HG3 LYS A 845 27.493 10.781 46.855 1.00 43.91 H new ATOM 0 HD2 LYS A 845 29.395 9.615 47.724 1.00 44.29 H new ATOM 0 HD3 LYS A 845 28.702 9.572 49.121 1.00 44.29 H new ATOM 0 HE2 LYS A 845 27.635 8.298 46.823 1.00 44.47 H new ATOM 0 HE3 LYS A 845 28.415 7.533 47.936 1.00 44.47 H new ATOM 0 HZ1 LYS A 845 26.197 7.293 48.294 1.00 44.71 H new ATOM 0 HZ2 LYS A 845 26.718 8.082 49.397 1.00 44.71 H new ATOM 0 HZ3 LYS A 845 25.981 8.729 48.325 1.00 44.71 H new ATOM 1471 N ARG A 846 29.737 14.240 50.713 1.00 43.92 N ATOM 1472 CA ARG A 846 30.743 15.266 50.966 1.00 44.56 C ATOM 1473 C ARG A 846 31.364 15.056 52.345 1.00 46.72 C ATOM 1474 O ARG A 846 30.678 15.141 53.364 1.00 47.50 O ATOM 1475 CB ARG A 846 30.122 16.666 50.890 1.00 42.10 C ATOM 1476 CG ARG A 846 29.529 17.029 49.531 1.00 38.53 C ATOM 1477 CD ARG A 846 29.095 18.493 49.495 1.00 35.51 C ATOM 1478 NE ARG A 846 28.592 18.895 48.183 1.00 32.75 N ATOM 1479 CZ ARG A 846 27.410 18.539 47.688 1.00 31.93 C ATOM 1480 NH1 ARG A 846 26.592 17.770 48.397 1.00 30.93 N ATOM 1481 NH2 ARG A 846 27.047 18.946 46.478 1.00 29.44 N ATOM 0 H ARG A 846 29.049 14.280 51.228 1.00 43.92 H new ATOM 0 HA ARG A 846 31.431 15.194 50.286 1.00 44.56 H new ATOM 0 HB2 ARG A 846 29.425 16.734 51.562 1.00 42.10 H new ATOM 0 HB3 ARG A 846 30.801 17.320 51.118 1.00 42.10 H new ATOM 0 HG2 ARG A 846 30.184 16.865 48.835 1.00 38.53 H new ATOM 0 HG3 ARG A 846 28.768 16.458 49.344 1.00 38.53 H new ATOM 0 HD2 ARG A 846 28.405 18.639 50.161 1.00 35.51 H new ATOM 0 HD3 ARG A 846 29.847 19.056 49.736 1.00 35.51 H new ATOM 0 HE ARG A 846 29.095 19.396 47.698 1.00 32.75 H new ATOM 0 HH11 ARG A 846 26.826 17.500 49.179 1.00 30.93 H new ATOM 0 HH12 ARG A 846 25.828 17.542 48.074 1.00 30.93 H new ATOM 0 HH21 ARG A 846 27.576 19.440 46.014 1.00 29.44 H new ATOM 0 HH22 ARG A 846 26.283 18.716 46.158 1.00 29.44 H new ATOM 1482 N LYS A 847 32.664 14.778 52.371 1.00 48.72 N ATOM 1483 CA LYS A 847 33.371 14.551 53.625 1.00 50.53 C ATOM 1484 C LYS A 847 34.023 15.836 54.127 1.00 50.87 C ATOM 1485 O LYS A 847 34.304 15.980 55.317 1.00 51.41 O ATOM 1486 CB LYS A 847 34.437 13.468 53.437 1.00 52.03 C ATOM 1487 CG LYS A 847 35.185 13.101 54.709 1.00 54.24 C ATOM 1488 CD LYS A 847 36.245 12.043 54.444 1.00 55.73 C ATOM 1489 CE LYS A 847 36.997 11.681 55.717 1.00 56.40 C ATOM 1490 NZ LYS A 847 38.052 10.659 55.468 1.00 56.77 N ATOM 0 H LYS A 847 33.156 14.716 51.669 1.00 48.72 H new ATOM 0 HA LYS A 847 32.725 14.257 54.287 1.00 50.53 H new ATOM 0 HB2 LYS A 847 34.014 12.671 53.081 1.00 52.03 H new ATOM 0 HB3 LYS A 847 35.077 13.770 52.773 1.00 52.03 H new ATOM 0 HG2 LYS A 847 35.603 13.894 55.081 1.00 54.24 H new ATOM 0 HG3 LYS A 847 34.557 12.774 55.372 1.00 54.24 H new ATOM 0 HD2 LYS A 847 35.827 11.249 54.076 1.00 55.73 H new ATOM 0 HD3 LYS A 847 36.871 12.369 53.778 1.00 55.73 H new ATOM 0 HE2 LYS A 847 37.402 12.479 56.091 1.00 56.40 H new ATOM 0 HE3 LYS A 847 36.371 11.345 56.377 1.00 56.40 H new ATOM 0 HZ1 LYS A 847 38.470 10.472 56.231 1.00 56.77 H new ATOM 0 HZ2 LYS A 847 37.678 9.919 55.145 1.00 56.77 H new ATOM 0 HZ3 LYS A 847 38.639 10.975 54.879 1.00 56.77 H new ATOM 1491 N ASN A 848 34.257 16.768 53.209 1.00 50.82 N ATOM 1492 CA ASN A 848 34.874 18.047 53.545 1.00 50.76 C ATOM 1493 C ASN A 848 33.830 19.080 53.965 1.00 49.65 C ATOM 1494 O ASN A 848 32.821 19.271 53.286 1.00 49.49 O ATOM 1495 CB ASN A 848 35.668 18.567 52.344 1.00 52.00 C ATOM 1496 CG ASN A 848 36.073 20.017 52.497 1.00 53.12 C ATOM 1497 OD1 ASN A 848 35.722 20.834 51.511 1.00 54.57 O flip ATOM 1498 ND2 ASN A 848 36.695 20.401 53.487 1.00 54.11 N flip ATOM 0 H ASN A 848 34.063 16.678 52.376 1.00 50.82 H new ATOM 0 HA ASN A 848 35.471 17.905 54.296 1.00 50.76 H new ATOM 0 HB2 ASN A 848 36.463 18.024 52.226 1.00 52.00 H new ATOM 0 HB3 ASN A 848 35.134 18.467 51.540 1.00 52.00 H new ATOM 0 HD21 ASN A 848 36.905 19.842 54.106 1.00 54.11 H new ATOM 0 HD22 ASN A 848 36.919 21.228 53.560 1.00 54.11 H new ATOM 1499 N PRO A 849 34.064 19.764 55.096 1.00 48.45 N ATOM 1500 CA PRO A 849 33.131 20.779 55.595 1.00 47.03 C ATOM 1501 C PRO A 849 33.014 21.982 54.663 1.00 45.49 C ATOM 1502 O PRO A 849 31.961 22.615 54.586 1.00 44.55 O ATOM 1503 CB PRO A 849 33.722 21.146 56.953 1.00 47.49 C ATOM 1504 CG PRO A 849 35.191 20.980 56.722 1.00 48.38 C ATOM 1505 CD PRO A 849 35.247 19.670 55.969 1.00 48.18 C ATOM 0 HA PRO A 849 32.219 20.455 55.654 1.00 47.03 H new ATOM 0 HB2 PRO A 849 33.497 22.054 57.211 1.00 47.49 H new ATOM 0 HB3 PRO A 849 33.399 20.562 57.657 1.00 47.49 H new ATOM 0 HG2 PRO A 849 35.562 21.712 56.205 1.00 48.38 H new ATOM 0 HG3 PRO A 849 35.687 20.941 57.555 1.00 48.38 H new ATOM 0 HD2 PRO A 849 36.067 19.579 55.459 1.00 48.18 H new ATOM 0 HD3 PRO A 849 35.198 18.907 56.565 1.00 48.18 H new ATOM 1506 N THR A 850 34.098 22.291 53.957 1.00 43.63 N ATOM 1507 CA THR A 850 34.110 23.417 53.029 1.00 41.84 C ATOM 1508 C THR A 850 33.208 23.141 51.829 1.00 39.91 C ATOM 1509 O THR A 850 32.513 24.037 51.350 1.00 39.14 O ATOM 1510 CB THR A 850 35.540 23.711 52.522 1.00 42.85 C ATOM 1511 OG1 THR A 850 36.376 24.070 53.630 1.00 43.43 O ATOM 1512 CG2 THR A 850 35.527 24.854 51.513 1.00 42.70 C ATOM 0 H THR A 850 34.840 21.859 54.002 1.00 43.63 H new ATOM 0 HA THR A 850 33.779 24.189 53.514 1.00 41.84 H new ATOM 0 HB THR A 850 35.885 22.914 52.090 1.00 42.85 H new ATOM 0 HG1 THR A 850 37.154 24.228 53.355 1.00 43.43 H new ATOM 0 HG21 THR A 850 36.431 25.025 51.206 1.00 42.70 H new ATOM 0 HG22 THR A 850 34.969 24.612 50.757 1.00 42.70 H new ATOM 0 HG23 THR A 850 35.172 25.653 51.933 1.00 42.70 H new ATOM 1513 N SER A 851 33.220 21.901 51.349 1.00 37.96 N ATOM 1514 CA SER A 851 32.396 21.523 50.207 1.00 36.02 C ATOM 1515 C SER A 851 30.920 21.620 50.577 1.00 33.51 C ATOM 1516 O SER A 851 30.095 22.037 49.763 1.00 31.24 O ATOM 1517 CB SER A 851 32.725 20.097 49.750 1.00 37.38 C ATOM 1518 OG SER A 851 32.425 19.149 50.758 1.00 40.34 O ATOM 0 H SER A 851 33.699 21.264 51.671 1.00 37.96 H new ATOM 0 HA SER A 851 32.585 22.133 49.476 1.00 36.02 H new ATOM 0 HB2 SER A 851 32.222 19.889 48.948 1.00 37.38 H new ATOM 0 HB3 SER A 851 33.665 20.039 49.518 1.00 37.38 H new ATOM 0 HG SER A 851 32.761 19.398 51.486 1.00 40.34 H new ATOM 1519 N CYS A 852 30.593 21.236 51.807 1.00 32.13 N ATOM 1520 CA CYS A 852 29.213 21.298 52.279 1.00 30.92 C ATOM 1521 C CYS A 852 28.778 22.751 52.417 1.00 29.89 C ATOM 1522 O CYS A 852 27.656 23.109 52.054 1.00 27.36 O ATOM 1523 CB CYS A 852 29.071 20.595 53.633 1.00 31.81 C ATOM 1524 SG CYS A 852 29.300 18.800 53.583 1.00 33.17 S ATOM 0 H CYS A 852 31.155 20.936 52.384 1.00 32.13 H new ATOM 0 HA CYS A 852 28.649 20.847 51.631 1.00 30.92 H new ATOM 0 HB2 CYS A 852 29.717 20.974 54.249 1.00 31.81 H new ATOM 0 HB3 CYS A 852 28.190 20.786 53.992 1.00 31.81 H new ATOM 0 HG CYS A 852 30.468 18.548 53.476 1.00 33.17 H new ATOM 1525 N SER A 853 29.673 23.585 52.941 1.00 27.93 N ATOM 1526 CA SER A 853 29.380 25.002 53.126 1.00 27.87 C ATOM 1527 C SER A 853 29.099 25.673 51.788 1.00 25.80 C ATOM 1528 O SER A 853 28.149 26.443 51.658 1.00 25.66 O ATOM 1529 CB SER A 853 30.553 25.700 53.822 1.00 28.52 C ATOM 1530 OG SER A 853 30.722 25.209 55.141 1.00 33.93 O ATOM 0 H SER A 853 30.459 23.348 53.197 1.00 27.93 H new ATOM 0 HA SER A 853 28.590 25.078 53.683 1.00 27.87 H new ATOM 0 HB2 SER A 853 31.367 25.558 53.313 1.00 28.52 H new ATOM 0 HB3 SER A 853 30.397 26.657 53.846 1.00 28.52 H new ATOM 0 HG SER A 853 31.065 24.443 55.113 1.00 33.93 H new ATOM 1531 N ARG A 854 29.925 25.378 50.792 1.00 25.41 N ATOM 1532 CA ARG A 854 29.742 25.961 49.471 1.00 24.31 C ATOM 1533 C ARG A 854 28.383 25.548 48.891 1.00 22.68 C ATOM 1534 O ARG A 854 27.677 26.372 48.306 1.00 21.38 O ATOM 1535 CB ARG A 854 30.890 25.528 48.553 1.00 27.86 C ATOM 1536 CG ARG A 854 30.814 26.048 47.126 1.00 32.97 C ATOM 1537 CD ARG A 854 29.943 25.147 46.277 1.00 37.44 C ATOM 1538 NE ARG A 854 30.249 23.745 46.544 1.00 41.03 N ATOM 1539 CZ ARG A 854 29.708 22.721 45.896 1.00 40.92 C ATOM 1540 NH1 ARG A 854 28.827 22.938 44.930 1.00 41.10 N ATOM 1541 NH2 ARG A 854 30.048 21.481 46.222 1.00 42.38 N ATOM 0 H ARG A 854 30.596 24.844 50.860 1.00 25.41 H new ATOM 0 HA ARG A 854 29.753 26.928 49.542 1.00 24.31 H new ATOM 0 HB2 ARG A 854 31.727 25.824 48.945 1.00 27.86 H new ATOM 0 HB3 ARG A 854 30.916 24.559 48.527 1.00 27.86 H new ATOM 0 HG2 ARG A 854 30.455 26.949 47.123 1.00 32.97 H new ATOM 0 HG3 ARG A 854 31.705 26.096 46.746 1.00 32.97 H new ATOM 0 HD2 ARG A 854 29.007 25.321 46.465 1.00 37.44 H new ATOM 0 HD3 ARG A 854 30.085 25.342 45.337 1.00 37.44 H new ATOM 0 HE ARG A 854 30.819 23.571 47.164 1.00 41.03 H new ATOM 0 HH11 ARG A 854 28.606 23.743 44.723 1.00 41.10 H new ATOM 0 HH12 ARG A 854 28.477 22.274 44.510 1.00 41.10 H new ATOM 0 HH21 ARG A 854 30.617 21.343 46.852 1.00 42.38 H new ATOM 0 HH22 ARG A 854 29.699 20.815 45.804 1.00 42.38 H new ATOM 1542 N ARG A 855 28.012 24.282 49.067 1.00 21.67 N ATOM 1543 CA ARG A 855 26.730 23.804 48.553 1.00 19.65 C ATOM 1544 C ARG A 855 25.560 24.468 49.275 1.00 18.87 C ATOM 1545 O ARG A 855 24.576 24.860 48.644 1.00 18.63 O ATOM 1546 CB ARG A 855 26.620 22.282 48.697 1.00 19.59 C ATOM 1547 CG ARG A 855 25.421 21.680 47.958 1.00 18.83 C ATOM 1548 CD ARG A 855 25.451 22.101 46.501 1.00 18.49 C ATOM 1549 NE ARG A 855 24.487 21.389 45.667 1.00 18.46 N ATOM 1550 CZ ARG A 855 24.370 21.580 44.357 1.00 16.19 C ATOM 1551 NH1 ARG A 855 25.155 22.457 43.744 1.00 18.21 N ATOM 1552 NH2 ARG A 855 23.478 20.894 43.652 1.00 15.69 N ATOM 0 H ARG A 855 28.482 23.689 49.476 1.00 21.67 H new ATOM 0 HA ARG A 855 26.690 24.040 47.613 1.00 19.65 H new ATOM 0 HB2 ARG A 855 27.434 21.874 48.363 1.00 19.59 H new ATOM 0 HB3 ARG A 855 26.556 22.058 49.639 1.00 19.59 H new ATOM 0 HG2 ARG A 855 25.442 20.712 48.024 1.00 18.83 H new ATOM 0 HG3 ARG A 855 24.594 21.975 48.371 1.00 18.83 H new ATOM 0 HD2 ARG A 855 25.276 23.053 46.444 1.00 18.49 H new ATOM 0 HD3 ARG A 855 26.343 21.955 46.148 1.00 18.49 H new ATOM 0 HE ARG A 855 23.968 20.816 46.043 1.00 18.46 H new ATOM 0 HH11 ARG A 855 25.738 22.901 44.194 1.00 18.21 H new ATOM 0 HH12 ARG A 855 25.081 22.582 42.896 1.00 18.21 H new ATOM 0 HH21 ARG A 855 22.970 20.321 44.043 1.00 15.69 H new ATOM 0 HH22 ARG A 855 23.408 21.023 42.805 1.00 15.69 H new ATOM 1553 N PHE A 856 25.664 24.597 50.593 1.00 17.23 N ATOM 1554 CA PHE A 856 24.592 25.220 51.366 1.00 17.32 C ATOM 1555 C PHE A 856 24.388 26.662 50.908 1.00 17.31 C ATOM 1556 O PHE A 856 23.257 27.148 50.832 1.00 17.57 O ATOM 1557 CB PHE A 856 24.918 25.195 52.862 1.00 17.72 C ATOM 1558 CG PHE A 856 23.765 25.602 53.732 1.00 18.55 C ATOM 1559 CD1 PHE A 856 22.698 24.736 53.935 1.00 19.99 C ATOM 1560 CD2 PHE A 856 23.731 26.860 54.323 1.00 21.00 C ATOM 1561 CE1 PHE A 856 21.605 25.118 54.717 1.00 19.70 C ATOM 1562 CE2 PHE A 856 22.645 27.253 55.105 1.00 19.25 C ATOM 1563 CZ PHE A 856 21.580 26.378 55.301 1.00 20.31 C ATOM 0 H PHE A 856 26.339 24.334 51.056 1.00 17.23 H new ATOM 0 HA PHE A 856 23.776 24.716 51.218 1.00 17.32 H new ATOM 0 HB2 PHE A 856 25.201 24.301 53.109 1.00 17.72 H new ATOM 0 HB3 PHE A 856 25.667 25.787 53.032 1.00 17.72 H new ATOM 0 HD1 PHE A 856 22.711 23.892 53.546 1.00 19.99 H new ATOM 0 HD2 PHE A 856 24.441 27.447 54.195 1.00 21.00 H new ATOM 0 HE1 PHE A 856 20.896 24.530 54.846 1.00 19.70 H new ATOM 0 HE2 PHE A 856 22.632 28.097 55.495 1.00 19.25 H new ATOM 0 HZ PHE A 856 20.854 26.636 55.821 1.00 20.31 H new ATOM 1564 N TYR A 857 25.486 27.352 50.617 1.00 15.93 N ATOM 1565 CA TYR A 857 25.414 28.730 50.150 1.00 17.39 C ATOM 1566 C TYR A 857 24.629 28.779 48.836 1.00 16.80 C ATOM 1567 O TYR A 857 23.716 29.591 48.669 1.00 17.91 O ATOM 1568 CB TYR A 857 26.823 29.288 49.922 1.00 19.26 C ATOM 1569 CG TYR A 857 26.845 30.715 49.420 1.00 20.94 C ATOM 1570 CD1 TYR A 857 26.670 31.785 50.296 1.00 22.70 C ATOM 1571 CD2 TYR A 857 27.025 30.994 48.065 1.00 23.55 C ATOM 1572 CE1 TYR A 857 26.675 33.102 49.836 1.00 26.42 C ATOM 1573 CE2 TYR A 857 27.029 32.307 47.593 1.00 26.48 C ATOM 1574 CZ TYR A 857 26.853 33.354 48.485 1.00 27.28 C ATOM 1575 OH TYR A 857 26.849 34.651 48.024 1.00 31.49 O ATOM 0 H TYR A 857 26.284 27.039 50.684 1.00 15.93 H new ATOM 0 HA TYR A 857 24.967 29.268 50.822 1.00 17.39 H new ATOM 0 HB2 TYR A 857 27.319 29.240 50.754 1.00 19.26 H new ATOM 0 HB3 TYR A 857 27.285 28.723 49.283 1.00 19.26 H new ATOM 0 HD1 TYR A 857 26.548 31.618 51.203 1.00 22.70 H new ATOM 0 HD2 TYR A 857 27.144 30.293 47.466 1.00 23.55 H new ATOM 0 HE1 TYR A 857 26.560 33.806 50.432 1.00 26.42 H new ATOM 0 HE2 TYR A 857 27.149 32.479 46.687 1.00 26.48 H new ATOM 0 HH TYR A 857 26.968 34.653 47.192 1.00 31.49 H new ATOM 1576 N GLN A 858 24.993 27.900 47.908 1.00 17.63 N ATOM 1577 CA GLN A 858 24.334 27.837 46.608 1.00 18.25 C ATOM 1578 C GLN A 858 22.840 27.564 46.719 1.00 15.91 C ATOM 1579 O GLN A 858 22.031 28.244 46.086 1.00 17.74 O ATOM 1580 CB GLN A 858 24.953 26.740 45.746 1.00 18.94 C ATOM 1581 CG GLN A 858 26.397 26.972 45.333 1.00 21.00 C ATOM 1582 CD GLN A 858 26.927 25.815 44.511 1.00 21.27 C ATOM 1583 OE1 GLN A 858 26.852 24.663 44.931 1.00 23.34 O ATOM 1584 NE2 GLN A 858 27.464 26.116 43.334 1.00 25.92 N ATOM 0 H GLN A 858 25.625 27.326 48.013 1.00 17.63 H new ATOM 0 HA GLN A 858 24.460 28.708 46.201 1.00 18.25 H new ATOM 0 HB2 GLN A 858 24.902 25.901 46.231 1.00 18.94 H new ATOM 0 HB3 GLN A 858 24.416 26.638 44.945 1.00 18.94 H new ATOM 0 HG2 GLN A 858 26.461 27.792 44.819 1.00 21.00 H new ATOM 0 HG3 GLN A 858 26.947 27.089 46.123 1.00 21.00 H new ATOM 0 HE21 GLN A 858 27.499 26.935 43.074 1.00 25.92 H new ATOM 0 HE22 GLN A 858 27.777 25.492 42.832 1.00 25.92 H new ATOM 1585 N LEU A 859 22.479 26.563 47.515 1.00 16.71 N ATOM 1586 CA LEU A 859 21.073 26.192 47.664 1.00 16.04 C ATOM 1587 C LEU A 859 20.225 27.250 48.358 1.00 15.90 C ATOM 1588 O LEU A 859 19.073 27.474 47.971 1.00 16.96 O ATOM 1589 CB LEU A 859 20.945 24.848 48.396 1.00 17.04 C ATOM 1590 CG LEU A 859 21.637 23.643 47.744 1.00 18.02 C ATOM 1591 CD1 LEU A 859 21.160 22.351 48.403 1.00 18.69 C ATOM 1592 CD2 LEU A 859 21.323 23.612 46.262 1.00 19.32 C ATOM 0 H LEU A 859 23.028 26.088 47.976 1.00 16.71 H new ATOM 0 HA LEU A 859 20.724 26.112 46.763 1.00 16.04 H new ATOM 0 HB2 LEU A 859 21.302 24.955 49.291 1.00 17.04 H new ATOM 0 HB3 LEU A 859 20.002 24.642 48.490 1.00 17.04 H new ATOM 0 HG LEU A 859 22.596 23.724 47.864 1.00 18.02 H new ATOM 0 HD11 LEU A 859 21.601 21.594 47.987 1.00 18.69 H new ATOM 0 HD12 LEU A 859 21.376 22.371 49.348 1.00 18.69 H new ATOM 0 HD13 LEU A 859 20.200 22.267 48.293 1.00 18.69 H new ATOM 0 HD21 LEU A 859 21.762 22.849 45.854 1.00 19.32 H new ATOM 0 HD22 LEU A 859 20.364 23.538 46.136 1.00 19.32 H new ATOM 0 HD23 LEU A 859 21.642 24.428 45.846 1.00 19.32 H new ATOM 1593 N THR A 860 20.773 27.899 49.380 1.00 15.93 N ATOM 1594 CA THR A 860 20.010 28.934 50.073 1.00 16.47 C ATOM 1595 C THR A 860 19.862 30.163 49.181 1.00 16.17 C ATOM 1596 O THR A 860 18.868 30.880 49.263 1.00 15.84 O ATOM 1597 CB THR A 860 20.654 29.320 51.425 1.00 16.24 C ATOM 1598 OG1 THR A 860 22.026 29.675 51.229 1.00 18.36 O ATOM 1599 CG2 THR A 860 20.561 28.157 52.397 1.00 17.91 C ATOM 0 H THR A 860 21.566 27.761 49.683 1.00 15.93 H new ATOM 0 HA THR A 860 19.131 28.572 50.266 1.00 16.47 H new ATOM 0 HB THR A 860 20.177 30.080 51.793 1.00 16.24 H new ATOM 0 HG1 THR A 860 22.102 30.512 51.232 1.00 18.36 H new ATOM 0 HG21 THR A 860 20.967 28.408 53.242 1.00 17.91 H new ATOM 0 HG22 THR A 860 19.629 27.930 52.542 1.00 17.91 H new ATOM 0 HG23 THR A 860 21.027 27.390 52.030 1.00 17.91 H new ATOM 1600 N LYS A 861 20.847 30.412 48.324 1.00 16.48 N ATOM 1601 CA LYS A 861 20.747 31.535 47.402 1.00 16.96 C ATOM 1602 C LYS A 861 19.617 31.235 46.417 1.00 15.86 C ATOM 1603 O LYS A 861 18.820 32.116 46.085 1.00 16.87 O ATOM 1604 CB LYS A 861 22.059 31.735 46.642 1.00 18.59 C ATOM 1605 CG LYS A 861 23.088 32.556 47.400 1.00 21.02 C ATOM 1606 CD LYS A 861 22.625 33.996 47.552 1.00 24.09 C ATOM 1607 CE LYS A 861 23.634 34.831 48.328 1.00 25.98 C ATOM 1608 NZ LYS A 861 23.222 36.262 48.371 1.00 29.72 N ATOM 0 H LYS A 861 21.570 29.951 48.261 1.00 16.48 H new ATOM 0 HA LYS A 861 20.565 32.349 47.897 1.00 16.96 H new ATOM 0 HB2 LYS A 861 22.439 30.867 46.435 1.00 18.59 H new ATOM 0 HB3 LYS A 861 21.870 32.170 45.796 1.00 18.59 H new ATOM 0 HG2 LYS A 861 23.238 32.166 48.275 1.00 21.02 H new ATOM 0 HG3 LYS A 861 23.936 32.533 46.930 1.00 21.02 H new ATOM 0 HD2 LYS A 861 22.487 34.387 46.675 1.00 24.09 H new ATOM 0 HD3 LYS A 861 21.769 34.015 48.008 1.00 24.09 H new ATOM 0 HE2 LYS A 861 23.717 34.487 49.231 1.00 25.98 H new ATOM 0 HE3 LYS A 861 24.508 34.755 47.914 1.00 25.98 H new ATOM 0 HZ1 LYS A 861 23.824 36.731 48.828 1.00 29.72 H new ATOM 0 HZ2 LYS A 861 23.166 36.580 47.542 1.00 29.72 H new ATOM 0 HZ3 LYS A 861 22.429 36.331 48.769 1.00 29.72 H new ATOM 1609 N LEU A 862 19.547 29.988 45.956 1.00 16.13 N ATOM 1610 CA LEU A 862 18.501 29.589 45.013 1.00 16.64 C ATOM 1611 C LEU A 862 17.129 29.706 45.678 1.00 16.93 C ATOM 1612 O LEU A 862 16.186 30.233 45.085 1.00 16.88 O ATOM 1613 CB LEU A 862 18.724 28.150 44.534 1.00 18.37 C ATOM 1614 CG LEU A 862 17.782 27.664 43.428 1.00 20.26 C ATOM 1615 CD1 LEU A 862 18.013 28.475 42.163 1.00 21.22 C ATOM 1616 CD2 LEU A 862 18.020 26.186 43.164 1.00 21.49 C ATOM 0 H LEU A 862 20.092 29.360 46.175 1.00 16.13 H new ATOM 0 HA LEU A 862 18.538 30.180 44.245 1.00 16.64 H new ATOM 0 HB2 LEU A 862 19.637 28.070 44.216 1.00 18.37 H new ATOM 0 HB3 LEU A 862 18.636 27.556 45.296 1.00 18.37 H new ATOM 0 HG LEU A 862 16.862 27.785 43.711 1.00 20.26 H new ATOM 0 HD11 LEU A 862 17.415 28.164 41.465 1.00 21.22 H new ATOM 0 HD12 LEU A 862 17.840 29.412 42.343 1.00 21.22 H new ATOM 0 HD13 LEU A 862 18.932 28.367 41.872 1.00 21.22 H new ATOM 0 HD21 LEU A 862 17.422 25.882 42.463 1.00 21.49 H new ATOM 0 HD22 LEU A 862 18.939 26.051 42.885 1.00 21.49 H new ATOM 0 HD23 LEU A 862 17.851 25.681 43.975 1.00 21.49 H new ATOM 1617 N LEU A 863 17.018 29.218 46.910 1.00 16.03 N ATOM 1618 CA LEU A 863 15.752 29.302 47.635 1.00 16.65 C ATOM 1619 C LEU A 863 15.308 30.753 47.794 1.00 17.12 C ATOM 1620 O LEU A 863 14.133 31.073 47.600 1.00 17.81 O ATOM 1621 CB LEU A 863 15.876 28.644 49.010 1.00 15.85 C ATOM 1622 CG LEU A 863 15.802 27.114 49.014 1.00 17.54 C ATOM 1623 CD1 LEU A 863 16.152 26.572 50.390 1.00 18.66 C ATOM 1624 CD2 LEU A 863 14.396 26.682 48.614 1.00 18.86 C ATOM 0 H LEU A 863 17.657 28.837 47.342 1.00 16.03 H new ATOM 0 HA LEU A 863 15.082 28.829 47.117 1.00 16.65 H new ATOM 0 HB2 LEU A 863 16.720 28.913 49.406 1.00 15.85 H new ATOM 0 HB3 LEU A 863 15.172 28.988 49.581 1.00 15.85 H new ATOM 0 HG LEU A 863 16.442 26.758 48.378 1.00 17.54 H new ATOM 0 HD11 LEU A 863 16.101 25.603 50.379 1.00 18.66 H new ATOM 0 HD12 LEU A 863 17.052 26.846 50.626 1.00 18.66 H new ATOM 0 HD13 LEU A 863 15.526 26.921 51.044 1.00 18.66 H new ATOM 0 HD21 LEU A 863 14.342 25.713 48.615 1.00 18.86 H new ATOM 0 HD22 LEU A 863 13.755 27.041 49.247 1.00 18.86 H new ATOM 0 HD23 LEU A 863 14.195 27.016 47.726 1.00 18.86 H new ATOM 1625 N ASP A 864 16.239 31.633 48.149 1.00 15.72 N ATOM 1626 CA ASP A 864 15.907 33.044 48.315 1.00 16.23 C ATOM 1627 C ASP A 864 15.372 33.635 47.010 1.00 17.35 C ATOM 1628 O ASP A 864 14.433 34.436 47.026 1.00 17.64 O ATOM 1629 CB ASP A 864 17.140 33.857 48.737 1.00 16.60 C ATOM 1630 CG ASP A 864 17.440 33.770 50.226 1.00 19.06 C ATOM 1631 OD1 ASP A 864 16.688 33.117 50.978 1.00 18.72 O ATOM 1632 OD2 ASP A 864 18.447 34.382 50.647 1.00 20.46 O ATOM 0 H ASP A 864 17.063 31.436 48.298 1.00 15.72 H new ATOM 0 HA ASP A 864 15.228 33.095 49.006 1.00 16.23 H new ATOM 0 HB2 ASP A 864 17.912 33.544 48.240 1.00 16.60 H new ATOM 0 HB3 ASP A 864 17.005 34.786 48.495 1.00 16.60 H new ATOM 1633 N SER A 865 15.960 33.227 45.883 1.00 16.51 N ATOM 1634 CA SER A 865 15.569 33.762 44.577 1.00 16.74 C ATOM 1635 C SER A 865 14.117 33.485 44.195 1.00 17.05 C ATOM 1636 O SER A 865 13.562 34.153 43.322 1.00 18.48 O ATOM 1637 CB SER A 865 16.510 33.243 43.476 1.00 17.25 C ATOM 1638 OG SER A 865 16.202 31.918 43.090 1.00 19.30 O ATOM 0 H SER A 865 16.588 32.640 45.854 1.00 16.51 H new ATOM 0 HA SER A 865 15.648 34.725 44.658 1.00 16.74 H new ATOM 0 HB2 SER A 865 16.452 33.825 42.702 1.00 17.25 H new ATOM 0 HB3 SER A 865 17.426 33.281 43.792 1.00 17.25 H new ATOM 0 HG SER A 865 16.077 31.448 43.775 1.00 19.30 H new ATOM 1639 N VAL A 866 13.502 32.503 44.842 1.00 16.20 N ATOM 1640 CA VAL A 866 12.108 32.181 44.555 1.00 16.31 C ATOM 1641 C VAL A 866 11.175 33.272 45.078 1.00 16.51 C ATOM 1642 O VAL A 866 10.179 33.617 44.434 1.00 15.63 O ATOM 1643 CB VAL A 866 11.707 30.840 45.210 1.00 17.04 C ATOM 1644 CG1 VAL A 866 10.201 30.597 45.047 1.00 17.97 C ATOM 1645 CG2 VAL A 866 12.501 29.703 44.579 1.00 16.76 C ATOM 0 H VAL A 866 13.869 32.014 45.446 1.00 16.20 H new ATOM 0 HA VAL A 866 12.023 32.114 43.591 1.00 16.31 H new ATOM 0 HB VAL A 866 11.909 30.877 46.158 1.00 17.04 H new ATOM 0 HG11 VAL A 866 9.962 29.753 45.462 1.00 17.97 H new ATOM 0 HG12 VAL A 866 9.709 31.317 45.473 1.00 17.97 H new ATOM 0 HG13 VAL A 866 9.978 30.567 44.103 1.00 17.97 H new ATOM 0 HG21 VAL A 866 12.247 28.863 44.992 1.00 16.76 H new ATOM 0 HG22 VAL A 866 12.313 29.665 43.628 1.00 16.76 H new ATOM 0 HG23 VAL A 866 13.449 29.856 44.715 1.00 16.76 H new ATOM 1646 N GLN A 867 11.518 33.834 46.233 1.00 15.77 N ATOM 1647 CA GLN A 867 10.676 34.845 46.868 1.00 15.86 C ATOM 1648 C GLN A 867 10.380 36.113 46.059 1.00 15.93 C ATOM 1649 O GLN A 867 9.229 36.543 45.993 1.00 17.08 O ATOM 1650 CB GLN A 867 11.248 35.208 48.245 1.00 17.25 C ATOM 1651 CG GLN A 867 11.391 34.022 49.214 1.00 19.02 C ATOM 1652 CD GLN A 867 10.087 33.275 49.481 1.00 17.05 C ATOM 1653 OE1 GLN A 867 8.993 33.810 49.289 1.00 19.25 O ATOM 1654 NE2 GLN A 867 10.204 32.036 49.946 1.00 19.76 N ATOM 0 H GLN A 867 12.236 33.644 46.667 1.00 15.77 H new ATOM 0 HA GLN A 867 9.808 34.418 46.943 1.00 15.86 H new ATOM 0 HB2 GLN A 867 12.119 35.617 48.122 1.00 17.25 H new ATOM 0 HB3 GLN A 867 10.676 35.877 48.653 1.00 17.25 H new ATOM 0 HG2 GLN A 867 12.041 33.399 48.854 1.00 19.02 H new ATOM 0 HG3 GLN A 867 11.745 34.346 50.057 1.00 19.02 H new ATOM 0 HE21 GLN A 867 10.984 31.694 50.068 1.00 19.76 H new ATOM 0 HE22 GLN A 867 9.500 31.576 50.125 1.00 19.76 H new ATOM 1655 N PRO A 868 11.398 36.742 45.448 1.00 16.08 N ATOM 1656 CA PRO A 868 11.078 37.947 44.675 1.00 16.74 C ATOM 1657 C PRO A 868 10.152 37.621 43.497 1.00 16.26 C ATOM 1658 O PRO A 868 9.307 38.428 43.118 1.00 16.58 O ATOM 1659 CB PRO A 868 12.449 38.444 44.216 1.00 19.62 C ATOM 1660 CG PRO A 868 13.356 37.986 45.324 1.00 19.55 C ATOM 1661 CD PRO A 868 12.856 36.578 45.581 1.00 16.81 C ATOM 0 HA PRO A 868 10.596 38.616 45.186 1.00 16.74 H new ATOM 0 HB2 PRO A 868 12.703 38.062 43.361 1.00 19.62 H new ATOM 0 HB3 PRO A 868 12.466 39.408 44.112 1.00 19.62 H new ATOM 0 HG2 PRO A 868 14.289 37.997 45.057 1.00 19.55 H new ATOM 0 HG3 PRO A 868 13.279 38.548 46.111 1.00 19.55 H new ATOM 0 HD2 PRO A 868 13.210 35.944 44.938 1.00 16.81 H new ATOM 0 HD3 PRO A 868 13.107 36.259 46.462 1.00 16.81 H new ATOM 1662 N ILE A 869 10.320 36.435 42.920 1.00 15.78 N ATOM 1663 CA ILE A 869 9.485 36.022 41.799 1.00 15.85 C ATOM 1664 C ILE A 869 8.060 35.845 42.299 1.00 14.78 C ATOM 1665 O ILE A 869 7.107 36.351 41.698 1.00 16.13 O ATOM 1666 CB ILE A 869 9.976 34.690 41.193 1.00 17.41 C ATOM 1667 CG1 ILE A 869 11.373 34.884 40.595 1.00 18.59 C ATOM 1668 CG2 ILE A 869 8.994 34.212 40.128 1.00 18.51 C ATOM 1669 CD1 ILE A 869 11.982 33.625 40.030 1.00 20.33 C ATOM 0 H ILE A 869 10.910 35.857 43.162 1.00 15.78 H new ATOM 0 HA ILE A 869 9.530 36.703 41.109 1.00 15.85 H new ATOM 0 HB ILE A 869 10.026 34.015 41.888 1.00 17.41 H new ATOM 0 HG12 ILE A 869 11.324 35.551 39.893 1.00 18.59 H new ATOM 0 HG13 ILE A 869 11.962 35.237 41.281 1.00 18.59 H new ATOM 0 HG21 ILE A 869 9.307 33.375 39.751 1.00 18.51 H new ATOM 0 HG22 ILE A 869 8.121 34.079 40.529 1.00 18.51 H new ATOM 0 HG23 ILE A 869 8.928 34.878 39.426 1.00 18.51 H new ATOM 0 HD11 ILE A 869 12.861 33.823 39.671 1.00 20.33 H new ATOM 0 HD12 ILE A 869 12.062 32.961 40.732 1.00 20.33 H new ATOM 0 HD13 ILE A 869 11.415 33.280 39.323 1.00 20.33 H new ATOM 1670 N ALA A 870 7.918 35.124 43.405 1.00 14.36 N ATOM 1671 CA ALA A 870 6.603 34.898 43.989 1.00 15.09 C ATOM 1672 C ALA A 870 5.910 36.225 44.299 1.00 15.19 C ATOM 1673 O ALA A 870 4.714 36.365 44.060 1.00 15.89 O ATOM 1674 CB ALA A 870 6.723 34.055 45.256 1.00 15.27 C ATOM 0 H ALA A 870 8.569 34.758 43.832 1.00 14.36 H new ATOM 0 HA ALA A 870 6.063 34.416 43.343 1.00 15.09 H new ATOM 0 HB1 ALA A 870 5.841 33.912 45.634 1.00 15.27 H new ATOM 0 HB2 ALA A 870 7.124 33.199 45.039 1.00 15.27 H new ATOM 0 HB3 ALA A 870 7.280 34.518 45.901 1.00 15.27 H new ATOM 1675 N ARG A 871 6.646 37.204 44.820 1.00 15.64 N ATOM 1676 CA ARG A 871 6.027 38.493 45.131 1.00 15.58 C ATOM 1677 C ARG A 871 5.521 39.193 43.869 1.00 16.29 C ATOM 1678 O ARG A 871 4.440 39.782 43.874 1.00 15.55 O ATOM 1679 CB ARG A 871 6.998 39.416 45.873 1.00 19.01 C ATOM 1680 CG ARG A 871 6.321 40.705 46.338 1.00 21.31 C ATOM 1681 CD ARG A 871 7.248 41.615 47.125 1.00 25.93 C ATOM 1682 NE ARG A 871 6.585 42.874 47.460 1.00 28.50 N ATOM 1683 CZ ARG A 871 5.650 43.014 48.396 1.00 27.08 C ATOM 1684 NH1 ARG A 871 5.257 41.973 49.114 1.00 28.66 N ATOM 1685 NH2 ARG A 871 5.089 44.200 48.599 1.00 27.91 N ATOM 0 H ARG A 871 7.485 37.147 44.998 1.00 15.64 H new ATOM 0 HA ARG A 871 5.270 38.306 45.708 1.00 15.58 H new ATOM 0 HB2 ARG A 871 7.364 38.949 46.640 1.00 19.01 H new ATOM 0 HB3 ARG A 871 7.743 39.635 45.292 1.00 19.01 H new ATOM 0 HG2 ARG A 871 5.986 41.185 45.565 1.00 21.31 H new ATOM 0 HG3 ARG A 871 5.554 40.481 46.887 1.00 21.31 H new ATOM 0 HD2 ARG A 871 7.532 41.168 47.938 1.00 25.93 H new ATOM 0 HD3 ARG A 871 8.048 41.795 46.606 1.00 25.93 H new ATOM 0 HE ARG A 871 6.816 43.576 47.020 1.00 28.50 H new ATOM 0 HH11 ARG A 871 5.607 41.199 48.977 1.00 28.66 H new ATOM 0 HH12 ARG A 871 4.652 42.071 49.717 1.00 28.66 H new ATOM 0 HH21 ARG A 871 5.330 44.876 48.126 1.00 27.91 H new ATOM 0 HH22 ARG A 871 4.484 44.292 49.204 1.00 27.91 H new ATOM 1686 N GLU A 872 6.294 39.136 42.789 1.00 16.24 N ATOM 1687 CA GLU A 872 5.864 39.760 41.541 1.00 16.79 C ATOM 1688 C GLU A 872 4.591 39.098 41.034 1.00 15.56 C ATOM 1689 O GLU A 872 3.703 39.770 40.511 1.00 15.97 O ATOM 1690 CB GLU A 872 6.943 39.640 40.468 1.00 19.33 C ATOM 1691 CG GLU A 872 8.112 40.577 40.641 1.00 27.24 C ATOM 1692 CD GLU A 872 9.091 40.456 39.497 1.00 31.63 C ATOM 1693 OE1 GLU A 872 8.709 40.765 38.348 1.00 36.80 O ATOM 1694 OE2 GLU A 872 10.240 40.041 39.744 1.00 37.90 O ATOM 0 H GLU A 872 7.060 38.747 42.756 1.00 16.24 H new ATOM 0 HA GLU A 872 5.700 40.699 41.722 1.00 16.79 H new ATOM 0 HB2 GLU A 872 7.274 38.728 40.460 1.00 19.33 H new ATOM 0 HB3 GLU A 872 6.539 39.803 39.601 1.00 19.33 H new ATOM 0 HG2 GLU A 872 7.791 41.490 40.698 1.00 27.24 H new ATOM 0 HG3 GLU A 872 8.564 40.382 41.477 1.00 27.24 H new ATOM 1695 N LEU A 873 4.508 37.779 41.174 1.00 13.91 N ATOM 1696 CA LEU A 873 3.325 37.054 40.731 1.00 14.91 C ATOM 1697 C LEU A 873 2.150 37.356 41.658 1.00 14.63 C ATOM 1698 O LEU A 873 1.008 37.432 41.205 1.00 14.82 O ATOM 1699 CB LEU A 873 3.615 35.556 40.676 1.00 14.45 C ATOM 1700 CG LEU A 873 4.626 35.199 39.576 1.00 14.63 C ATOM 1701 CD1 LEU A 873 5.001 33.730 39.682 1.00 15.26 C ATOM 1702 CD2 LEU A 873 4.039 35.514 38.202 1.00 15.92 C ATOM 0 H LEU A 873 5.123 37.288 41.521 1.00 13.91 H new ATOM 0 HA LEU A 873 3.087 37.346 39.837 1.00 14.91 H new ATOM 0 HB2 LEU A 873 3.958 35.263 41.535 1.00 14.45 H new ATOM 0 HB3 LEU A 873 2.788 35.074 40.521 1.00 14.45 H new ATOM 0 HG LEU A 873 5.429 35.731 39.691 1.00 14.63 H new ATOM 0 HD11 LEU A 873 5.639 33.508 38.986 1.00 15.26 H new ATOM 0 HD12 LEU A 873 5.397 33.559 40.551 1.00 15.26 H new ATOM 0 HD13 LEU A 873 4.206 33.184 39.577 1.00 15.26 H new ATOM 0 HD21 LEU A 873 4.684 35.286 37.514 1.00 15.92 H new ATOM 0 HD22 LEU A 873 3.229 34.997 38.070 1.00 15.92 H new ATOM 0 HD23 LEU A 873 3.831 36.460 38.148 1.00 15.92 H new ATOM 1703 N HIS A 874 2.431 37.525 42.950 1.00 13.87 N ATOM 1704 CA HIS A 874 1.377 37.872 43.904 1.00 13.84 C ATOM 1705 C HIS A 874 0.784 39.214 43.487 1.00 14.83 C ATOM 1706 O HIS A 874 -0.430 39.395 43.493 1.00 14.27 O ATOM 1707 CB HIS A 874 1.925 38.028 45.327 1.00 14.18 C ATOM 1708 CG HIS A 874 2.195 36.739 46.036 1.00 15.66 C ATOM 1709 ND1 HIS A 874 3.201 36.383 46.870 1.00 18.38 N flip ATOM 1710 CD2 HIS A 874 1.325 35.669 46.009 1.00 15.96 C flip ATOM 1711 CE1 HIS A 874 2.919 35.122 47.333 1.00 16.62 C flip ATOM 1712 NE2 HIS A 874 1.783 34.714 46.800 1.00 19.39 N flip ATOM 0 H HIS A 874 3.216 37.445 43.292 1.00 13.87 H new ATOM 0 HA HIS A 874 0.718 37.160 43.901 1.00 13.84 H new ATOM 0 HB2 HIS A 874 2.747 38.541 45.290 1.00 14.18 H new ATOM 0 HB3 HIS A 874 1.292 38.544 45.850 1.00 14.18 H new ATOM 0 HD1 HIS A 874 3.889 36.859 47.072 1.00 18.38 H new ATOM 0 HD2 HIS A 874 0.540 35.626 45.512 1.00 15.96 H new ATOM 0 HE1 HIS A 874 3.444 34.634 47.926 1.00 16.62 H new ATOM 1713 N GLN A 875 1.648 40.160 43.136 1.00 14.60 N ATOM 1714 CA GLN A 875 1.191 41.485 42.725 1.00 15.15 C ATOM 1715 C GLN A 875 0.380 41.407 41.437 1.00 14.81 C ATOM 1716 O GLN A 875 -0.673 42.033 41.310 1.00 15.13 O ATOM 1717 CB GLN A 875 2.390 42.415 42.515 1.00 16.92 C ATOM 1718 CG GLN A 875 2.008 43.853 42.219 1.00 21.85 C ATOM 1719 CD GLN A 875 1.219 44.483 43.352 1.00 24.42 C ATOM 1720 OE1 GLN A 875 -0.001 44.665 43.260 1.00 27.10 O ATOM 1721 NE2 GLN A 875 1.911 44.813 44.436 1.00 26.84 N ATOM 0 H GLN A 875 2.502 40.057 43.129 1.00 14.60 H new ATOM 0 HA GLN A 875 0.625 41.838 43.429 1.00 15.15 H new ATOM 0 HB2 GLN A 875 2.947 42.394 43.309 1.00 16.92 H new ATOM 0 HB3 GLN A 875 2.927 42.075 41.783 1.00 16.92 H new ATOM 0 HG2 GLN A 875 2.811 44.373 42.059 1.00 21.85 H new ATOM 0 HG3 GLN A 875 1.482 43.885 41.404 1.00 21.85 H new ATOM 0 HE21 GLN A 875 2.759 44.672 44.464 1.00 26.84 H new ATOM 0 HE22 GLN A 875 1.511 45.168 45.110 1.00 26.84 H new ATOM 1722 N PHE A 876 0.867 40.622 40.483 1.00 13.76 N ATOM 1723 CA PHE A 876 0.186 40.478 39.207 1.00 14.24 C ATOM 1724 C PHE A 876 -1.182 39.817 39.351 1.00 13.69 C ATOM 1725 O PHE A 876 -2.174 40.306 38.799 1.00 14.10 O ATOM 1726 CB PHE A 876 1.067 39.677 38.238 1.00 14.66 C ATOM 1727 CG PHE A 876 0.496 39.549 36.855 1.00 16.18 C ATOM 1728 CD1 PHE A 876 -0.315 38.471 36.519 1.00 19.38 C ATOM 1729 CD2 PHE A 876 0.783 40.501 35.883 1.00 19.43 C ATOM 1730 CE1 PHE A 876 -0.831 38.342 35.228 1.00 20.57 C ATOM 1731 CE2 PHE A 876 0.272 40.381 34.591 1.00 21.22 C ATOM 1732 CZ PHE A 876 -0.535 39.297 34.265 1.00 20.06 C ATOM 0 H PHE A 876 1.591 40.164 40.556 1.00 13.76 H new ATOM 0 HA PHE A 876 0.034 41.368 38.852 1.00 14.24 H new ATOM 0 HB2 PHE A 876 1.937 40.102 38.180 1.00 14.66 H new ATOM 0 HB3 PHE A 876 1.208 38.789 38.603 1.00 14.66 H new ATOM 0 HD1 PHE A 876 -0.516 37.829 37.161 1.00 19.38 H new ATOM 0 HD2 PHE A 876 1.323 41.227 36.097 1.00 19.43 H new ATOM 0 HE1 PHE A 876 -1.372 37.617 35.013 1.00 20.57 H new ATOM 0 HE2 PHE A 876 0.471 41.024 33.949 1.00 21.22 H new ATOM 0 HZ PHE A 876 -0.876 39.212 33.404 1.00 20.06 H new ATOM 1733 N THR A 877 -1.255 38.721 40.100 1.00 12.83 N ATOM 1734 CA THR A 877 -2.535 38.039 40.235 1.00 12.90 C ATOM 1735 C THR A 877 -3.526 38.879 41.032 1.00 13.47 C ATOM 1736 O THR A 877 -4.725 38.850 40.764 1.00 14.37 O ATOM 1737 CB THR A 877 -2.379 36.622 40.860 1.00 14.37 C ATOM 1738 OG1 THR A 877 -3.585 35.882 40.636 1.00 15.48 O ATOM 1739 CG2 THR A 877 -2.104 36.685 42.357 1.00 13.59 C ATOM 0 H THR A 877 -0.598 38.366 40.525 1.00 12.83 H new ATOM 0 HA THR A 877 -2.889 37.922 39.340 1.00 12.90 H new ATOM 0 HB THR A 877 -1.621 36.189 40.437 1.00 14.37 H new ATOM 0 HG1 THR A 877 -3.537 35.485 39.897 1.00 15.48 H new ATOM 0 HG21 THR A 877 -2.013 35.785 42.708 1.00 13.59 H new ATOM 0 HG22 THR A 877 -1.283 37.177 42.515 1.00 13.59 H new ATOM 0 HG23 THR A 877 -2.840 37.133 42.803 1.00 13.59 H new ATOM 1740 N PHE A 878 -3.026 39.632 42.003 1.00 13.56 N ATOM 1741 CA PHE A 878 -3.893 40.497 42.797 1.00 13.42 C ATOM 1742 C PHE A 878 -4.511 41.543 41.868 1.00 15.15 C ATOM 1743 O PHE A 878 -5.727 41.751 41.867 1.00 14.96 O ATOM 1744 CB PHE A 878 -3.092 41.205 43.890 1.00 14.71 C ATOM 1745 CG PHE A 878 -3.868 42.269 44.608 1.00 15.13 C ATOM 1746 CD1 PHE A 878 -4.802 41.933 45.581 1.00 14.95 C ATOM 1747 CD2 PHE A 878 -3.699 43.607 44.272 1.00 15.05 C ATOM 1748 CE1 PHE A 878 -5.564 42.929 46.214 1.00 14.71 C ATOM 1749 CE2 PHE A 878 -4.454 44.604 44.897 1.00 15.47 C ATOM 1750 CZ PHE A 878 -5.387 44.260 45.868 1.00 15.08 C ATOM 0 H PHE A 878 -2.194 39.658 42.219 1.00 13.56 H new ATOM 0 HA PHE A 878 -4.583 39.961 43.219 1.00 13.42 H new ATOM 0 HB2 PHE A 878 -2.787 40.547 44.534 1.00 14.71 H new ATOM 0 HB3 PHE A 878 -2.301 41.603 43.494 1.00 14.71 H new ATOM 0 HD1 PHE A 878 -4.923 41.041 45.815 1.00 14.95 H new ATOM 0 HD2 PHE A 878 -3.076 43.842 43.623 1.00 15.05 H new ATOM 0 HE1 PHE A 878 -6.187 42.696 46.864 1.00 14.71 H new ATOM 0 HE2 PHE A 878 -4.332 45.496 44.663 1.00 15.47 H new ATOM 0 HZ PHE A 878 -5.891 44.921 46.285 1.00 15.08 H new ATOM 1751 N ASP A 879 -3.672 42.211 41.081 1.00 14.97 N ATOM 1752 CA ASP A 879 -4.181 43.224 40.164 1.00 15.79 C ATOM 1753 C ASP A 879 -5.146 42.622 39.149 1.00 16.17 C ATOM 1754 O ASP A 879 -6.143 43.254 38.779 1.00 16.43 O ATOM 1755 CB ASP A 879 -3.036 43.924 39.423 1.00 17.67 C ATOM 1756 CG ASP A 879 -2.176 44.769 40.340 1.00 23.56 C ATOM 1757 OD1 ASP A 879 -2.684 45.221 41.390 1.00 25.31 O ATOM 1758 OD2 ASP A 879 -0.994 44.995 40.000 1.00 26.07 O ATOM 0 H ASP A 879 -2.820 42.096 41.062 1.00 14.97 H new ATOM 0 HA ASP A 879 -4.658 43.876 40.700 1.00 15.79 H new ATOM 0 HB2 ASP A 879 -2.481 43.257 38.989 1.00 17.67 H new ATOM 0 HB3 ASP A 879 -3.404 44.485 38.723 1.00 17.67 H new ATOM 1759 N LEU A 880 -4.857 41.403 38.701 1.00 14.59 N ATOM 1760 CA LEU A 880 -5.712 40.742 37.719 1.00 15.83 C ATOM 1761 C LEU A 880 -7.080 40.414 38.306 1.00 15.79 C ATOM 1762 O LEU A 880 -8.102 40.580 37.638 1.00 16.75 O ATOM 1763 CB LEU A 880 -5.036 39.468 37.199 1.00 15.56 C ATOM 1764 CG LEU A 880 -5.762 38.693 36.094 1.00 16.13 C ATOM 1765 CD1 LEU A 880 -6.034 39.601 34.900 1.00 19.13 C ATOM 1766 CD2 LEU A 880 -4.904 37.499 35.682 1.00 19.66 C ATOM 0 H LEU A 880 -4.174 40.944 38.951 1.00 14.59 H new ATOM 0 HA LEU A 880 -5.845 41.354 36.978 1.00 15.83 H new ATOM 0 HB2 LEU A 880 -4.155 39.707 36.870 1.00 15.56 H new ATOM 0 HB3 LEU A 880 -4.905 38.869 37.950 1.00 15.56 H new ATOM 0 HG LEU A 880 -6.616 38.375 36.425 1.00 16.13 H new ATOM 0 HD11 LEU A 880 -6.493 39.098 34.209 1.00 19.13 H new ATOM 0 HD12 LEU A 880 -6.588 40.346 35.180 1.00 19.13 H new ATOM 0 HD13 LEU A 880 -5.194 39.937 34.551 1.00 19.13 H new ATOM 0 HD21 LEU A 880 -5.356 37.002 34.982 1.00 19.66 H new ATOM 0 HD22 LEU A 880 -4.048 37.814 35.353 1.00 19.66 H new ATOM 0 HD23 LEU A 880 -4.763 36.922 36.449 1.00 19.66 H new ATOM 1767 N LEU A 881 -7.111 39.952 39.552 1.00 14.88 N ATOM 1768 CA LEU A 881 -8.385 39.626 40.189 1.00 15.87 C ATOM 1769 C LEU A 881 -9.254 40.878 40.299 1.00 16.99 C ATOM 1770 O LEU A 881 -10.454 40.844 40.010 1.00 17.71 O ATOM 1771 CB LEU A 881 -8.160 39.036 41.586 1.00 16.08 C ATOM 1772 CG LEU A 881 -9.441 38.757 42.385 1.00 17.48 C ATOM 1773 CD1 LEU A 881 -10.272 37.710 41.661 1.00 19.00 C ATOM 1774 CD2 LEU A 881 -9.099 38.293 43.790 1.00 18.81 C ATOM 0 H LEU A 881 -6.416 39.821 40.041 1.00 14.88 H new ATOM 0 HA LEU A 881 -8.836 38.966 39.640 1.00 15.87 H new ATOM 0 HB2 LEU A 881 -7.664 38.208 41.497 1.00 16.08 H new ATOM 0 HB3 LEU A 881 -7.604 39.647 42.095 1.00 16.08 H new ATOM 0 HG LEU A 881 -9.957 39.575 42.457 1.00 17.48 H new ATOM 0 HD11 LEU A 881 -11.081 37.533 42.166 1.00 19.00 H new ATOM 0 HD12 LEU A 881 -10.506 38.036 40.778 1.00 19.00 H new ATOM 0 HD13 LEU A 881 -9.759 36.891 41.577 1.00 19.00 H new ATOM 0 HD21 LEU A 881 -9.917 38.121 44.282 1.00 18.81 H new ATOM 0 HD22 LEU A 881 -8.573 37.479 43.743 1.00 18.81 H new ATOM 0 HD23 LEU A 881 -8.588 38.982 44.243 1.00 18.81 H new ATOM 1775 N ILE A 882 -8.642 41.986 40.707 1.00 16.45 N ATOM 1776 CA ILE A 882 -9.372 43.239 40.863 1.00 18.39 C ATOM 1777 C ILE A 882 -10.017 43.711 39.558 1.00 19.55 C ATOM 1778 O ILE A 882 -11.099 44.300 39.575 1.00 20.85 O ATOM 1779 CB ILE A 882 -8.442 44.347 41.426 1.00 18.07 C ATOM 1780 CG1 ILE A 882 -7.989 43.968 42.841 1.00 19.25 C ATOM 1781 CG2 ILE A 882 -9.161 45.695 41.435 1.00 18.89 C ATOM 1782 CD1 ILE A 882 -9.129 43.706 43.812 1.00 19.62 C ATOM 0 H ILE A 882 -7.805 42.033 40.898 1.00 16.45 H new ATOM 0 HA ILE A 882 -10.088 43.067 41.494 1.00 18.39 H new ATOM 0 HB ILE A 882 -7.662 44.426 40.855 1.00 18.07 H new ATOM 0 HG12 ILE A 882 -7.433 43.175 42.790 1.00 19.25 H new ATOM 0 HG13 ILE A 882 -7.435 44.681 43.194 1.00 19.25 H new ATOM 0 HG21 ILE A 882 -8.568 46.376 41.789 1.00 18.89 H new ATOM 0 HG22 ILE A 882 -9.419 45.930 40.530 1.00 18.89 H new ATOM 0 HG23 ILE A 882 -9.953 45.636 41.992 1.00 18.89 H new ATOM 0 HD11 ILE A 882 -8.767 43.473 44.681 1.00 19.62 H new ATOM 0 HD12 ILE A 882 -9.675 44.503 43.893 1.00 19.62 H new ATOM 0 HD13 ILE A 882 -9.673 42.974 43.482 1.00 19.62 H new ATOM 1783 N LYS A 883 -9.373 43.442 38.428 1.00 19.61 N ATOM 1784 CA LYS A 883 -9.922 43.865 37.139 1.00 21.93 C ATOM 1785 C LYS A 883 -10.356 42.686 36.267 1.00 21.03 C ATOM 1786 O LYS A 883 -10.558 42.846 35.063 1.00 22.72 O ATOM 1787 CB LYS A 883 -8.886 44.692 36.376 1.00 23.10 C ATOM 1788 CG LYS A 883 -7.649 43.905 35.974 1.00 25.85 C ATOM 1789 CD LYS A 883 -6.600 44.794 35.324 1.00 30.30 C ATOM 1790 CE LYS A 883 -5.342 44.003 35.006 1.00 32.66 C ATOM 1791 NZ LYS A 883 -4.294 44.854 34.374 1.00 36.06 N ATOM 0 H LYS A 883 -8.625 43.020 38.382 1.00 19.61 H new ATOM 0 HA LYS A 883 -10.710 44.397 37.332 1.00 21.93 H new ATOM 0 HB2 LYS A 883 -9.300 45.058 35.579 1.00 23.10 H new ATOM 0 HB3 LYS A 883 -8.616 45.444 36.926 1.00 23.10 H new ATOM 0 HG2 LYS A 883 -7.270 43.477 36.757 1.00 25.85 H new ATOM 0 HG3 LYS A 883 -7.901 43.199 35.359 1.00 25.85 H new ATOM 0 HD2 LYS A 883 -6.958 45.181 34.510 1.00 30.30 H new ATOM 0 HD3 LYS A 883 -6.383 45.531 35.916 1.00 30.30 H new ATOM 0 HE2 LYS A 883 -4.992 43.612 35.822 1.00 32.66 H new ATOM 0 HE3 LYS A 883 -5.564 43.269 34.412 1.00 32.66 H new ATOM 0 HZ1 LYS A 883 -4.086 44.524 33.574 1.00 36.06 H new ATOM 0 HZ2 LYS A 883 -4.602 45.684 34.281 1.00 36.06 H new ATOM 0 HZ3 LYS A 883 -3.568 44.863 34.889 1.00 36.06 H new ATOM 1792 N SER A 884 -10.521 41.515 36.875 1.00 22.09 N ATOM 1793 CA SER A 884 -10.887 40.311 36.127 1.00 23.63 C ATOM 1794 C SER A 884 -12.129 40.422 35.248 1.00 25.69 C ATOM 1795 O SER A 884 -12.157 39.883 34.143 1.00 24.19 O ATOM 1796 CB SER A 884 -11.044 39.120 37.080 1.00 24.52 C ATOM 1797 OG SER A 884 -12.123 39.310 37.975 1.00 26.84 O ATOM 0 H SER A 884 -10.426 41.394 37.721 1.00 22.09 H new ATOM 0 HA SER A 884 -10.149 40.180 35.511 1.00 23.63 H new ATOM 0 HB2 SER A 884 -11.187 38.310 36.566 1.00 24.52 H new ATOM 0 HB3 SER A 884 -10.224 38.996 37.582 1.00 24.52 H new ATOM 0 HG SER A 884 -11.858 39.739 38.647 1.00 26.84 H new ATOM 1798 N HIS A 885 -13.154 41.114 35.732 1.00 27.87 N ATOM 1799 CA HIS A 885 -14.384 41.264 34.960 1.00 31.59 C ATOM 1800 C HIS A 885 -14.192 42.133 33.717 1.00 32.26 C ATOM 1801 O HIS A 885 -14.957 42.030 32.757 1.00 33.94 O ATOM 1802 CB HIS A 885 -15.488 41.851 35.845 1.00 33.93 C ATOM 1803 CG HIS A 885 -15.101 43.123 36.533 1.00 37.03 C ATOM 1804 ND1 HIS A 885 -13.976 43.231 37.324 1.00 38.27 N ATOM 1805 CD2 HIS A 885 -15.698 44.338 36.562 1.00 37.17 C ATOM 1806 CE1 HIS A 885 -13.898 44.456 37.810 1.00 38.90 C ATOM 1807 NE2 HIS A 885 -14.931 45.149 37.363 1.00 38.64 N ATOM 0 H HIS A 885 -13.159 41.502 36.499 1.00 27.87 H new ATOM 0 HA HIS A 885 -14.642 40.380 34.654 1.00 31.59 H new ATOM 0 HB2 HIS A 885 -16.274 42.014 35.301 1.00 33.93 H new ATOM 0 HB3 HIS A 885 -15.737 41.195 36.514 1.00 33.93 H new ATOM 0 HD2 HIS A 885 -16.481 44.579 36.122 1.00 37.17 H new ATOM 0 HE1 HIS A 885 -13.230 44.777 38.372 1.00 38.90 H new ATOM 0 HE2 HIS A 885 -15.096 45.973 37.544 1.00 38.64 H new ATOM 1808 N MET A 886 -13.164 42.975 33.734 1.00 32.04 N ATOM 1809 CA MET A 886 -12.875 43.867 32.613 1.00 32.38 C ATOM 1810 C MET A 886 -12.053 43.201 31.511 1.00 31.06 C ATOM 1811 O MET A 886 -12.073 43.642 30.361 1.00 29.84 O ATOM 1812 CB MET A 886 -12.127 45.108 33.112 1.00 35.80 C ATOM 1813 CG MET A 886 -12.868 45.913 34.170 1.00 41.00 C ATOM 1814 SD MET A 886 -14.399 46.654 33.564 1.00 46.94 S ATOM 1815 CE MET A 886 -13.799 48.248 32.997 1.00 46.40 C ATOM 0 H MET A 886 -12.615 43.046 34.392 1.00 32.04 H new ATOM 0 HA MET A 886 -13.732 44.112 32.229 1.00 32.38 H new ATOM 0 HB2 MET A 886 -11.271 44.831 33.474 1.00 35.80 H new ATOM 0 HB3 MET A 886 -11.941 45.685 32.355 1.00 35.80 H new ATOM 0 HG2 MET A 886 -13.071 45.336 34.923 1.00 41.00 H new ATOM 0 HG3 MET A 886 -12.285 46.615 34.500 1.00 41.00 H new ATOM 0 HE1 MET A 886 -14.538 48.763 32.637 1.00 46.40 H new ATOM 0 HE2 MET A 886 -13.403 48.728 33.741 1.00 46.40 H new ATOM 0 HE3 MET A 886 -13.131 48.116 32.306 1.00 46.40 H new ATOM 1816 N VAL A 887 -11.329 42.143 31.863 1.00 28.22 N ATOM 1817 CA VAL A 887 -10.492 41.445 30.893 1.00 26.26 C ATOM 1818 C VAL A 887 -10.928 40.008 30.612 1.00 25.54 C ATOM 1819 O VAL A 887 -10.193 39.240 29.993 1.00 25.37 O ATOM 1820 CB VAL A 887 -9.015 41.440 31.344 1.00 26.71 C ATOM 1821 CG1 VAL A 887 -8.456 42.856 31.308 1.00 27.26 C ATOM 1822 CG2 VAL A 887 -8.901 40.872 32.748 1.00 26.58 C ATOM 0 H VAL A 887 -11.308 41.814 32.657 1.00 28.22 H new ATOM 0 HA VAL A 887 -10.596 41.942 30.067 1.00 26.26 H new ATOM 0 HB VAL A 887 -8.503 40.883 30.737 1.00 26.71 H new ATOM 0 HG11 VAL A 887 -7.529 42.845 31.592 1.00 27.26 H new ATOM 0 HG12 VAL A 887 -8.513 43.204 30.404 1.00 27.26 H new ATOM 0 HG13 VAL A 887 -8.970 43.422 31.905 1.00 27.26 H new ATOM 0 HG21 VAL A 887 -7.971 40.873 33.023 1.00 26.58 H new ATOM 0 HG22 VAL A 887 -9.419 41.417 33.361 1.00 26.58 H new ATOM 0 HG23 VAL A 887 -9.240 39.963 32.758 1.00 26.58 H new ATOM 1823 N SER A 888 -12.122 39.649 31.072 1.00 25.05 N ATOM 1824 CA SER A 888 -12.669 38.314 30.853 1.00 24.96 C ATOM 1825 C SER A 888 -11.803 37.168 31.366 1.00 24.01 C ATOM 1826 O SER A 888 -11.701 36.122 30.722 1.00 23.66 O ATOM 1827 CB SER A 888 -12.949 38.102 29.363 1.00 27.09 C ATOM 1828 OG SER A 888 -13.880 39.055 28.885 1.00 30.68 O ATOM 0 H SER A 888 -12.638 40.172 31.520 1.00 25.05 H new ATOM 0 HA SER A 888 -13.485 38.287 31.376 1.00 24.96 H new ATOM 0 HB2 SER A 888 -12.122 38.172 28.861 1.00 27.09 H new ATOM 0 HB3 SER A 888 -13.293 37.207 29.219 1.00 27.09 H new ATOM 0 HG SER A 888 -14.020 38.924 28.067 1.00 30.68 H new ATOM 1829 N VAL A 889 -11.176 37.363 32.520 1.00 22.03 N ATOM 1830 CA VAL A 889 -10.355 36.309 33.102 1.00 20.94 C ATOM 1831 C VAL A 889 -11.149 35.657 34.217 1.00 21.44 C ATOM 1832 O VAL A 889 -11.662 36.334 35.109 1.00 22.03 O ATOM 1833 CB VAL A 889 -9.030 36.854 33.674 1.00 19.64 C ATOM 1834 CG1 VAL A 889 -8.355 35.780 34.531 1.00 19.29 C ATOM 1835 CG2 VAL A 889 -8.107 37.267 32.532 1.00 18.39 C ATOM 0 H VAL A 889 -11.212 38.090 32.978 1.00 22.03 H new ATOM 0 HA VAL A 889 -10.130 35.672 32.406 1.00 20.94 H new ATOM 0 HB VAL A 889 -9.215 37.629 34.227 1.00 19.64 H new ATOM 0 HG11 VAL A 889 -7.523 36.127 34.888 1.00 19.29 H new ATOM 0 HG12 VAL A 889 -8.942 35.533 35.262 1.00 19.29 H new ATOM 0 HG13 VAL A 889 -8.172 34.999 33.986 1.00 19.29 H new ATOM 0 HG21 VAL A 889 -7.275 37.609 32.895 1.00 18.39 H new ATOM 0 HG22 VAL A 889 -7.922 36.498 31.971 1.00 18.39 H new ATOM 0 HG23 VAL A 889 -8.536 37.957 32.002 1.00 18.39 H new ATOM 1836 N ASP A 890 -11.253 34.336 34.158 1.00 19.97 N ATOM 1837 CA ASP A 890 -11.998 33.592 35.158 1.00 21.28 C ATOM 1838 C ASP A 890 -11.118 33.102 36.299 1.00 20.60 C ATOM 1839 O ASP A 890 -10.041 32.544 36.072 1.00 19.73 O ATOM 1840 CB ASP A 890 -12.687 32.396 34.502 1.00 24.22 C ATOM 1841 CG ASP A 890 -13.758 32.811 33.511 1.00 30.36 C ATOM 1842 OD1 ASP A 890 -14.109 31.987 32.638 1.00 33.72 O ATOM 1843 OD2 ASP A 890 -14.256 33.953 33.609 1.00 32.61 O ATOM 0 H ASP A 890 -10.897 33.851 33.543 1.00 19.97 H new ATOM 0 HA ASP A 890 -12.654 34.199 35.535 1.00 21.28 H new ATOM 0 HB2 ASP A 890 -12.023 31.854 34.048 1.00 24.22 H new ATOM 0 HB3 ASP A 890 -13.085 31.840 35.189 1.00 24.22 H new ATOM 1844 N PHE A 891 -11.584 33.325 37.524 1.00 20.06 N ATOM 1845 CA PHE A 891 -10.878 32.875 38.722 1.00 18.63 C ATOM 1846 C PHE A 891 -11.757 31.892 39.474 1.00 19.91 C ATOM 1847 O PHE A 891 -12.902 32.209 39.801 1.00 20.93 O ATOM 1848 CB PHE A 891 -10.591 34.026 39.691 1.00 18.40 C ATOM 1849 CG PHE A 891 -9.366 34.830 39.364 1.00 16.42 C ATOM 1850 CD1 PHE A 891 -9.420 35.861 38.436 1.00 16.75 C ATOM 1851 CD2 PHE A 891 -8.167 34.585 40.026 1.00 17.32 C ATOM 1852 CE1 PHE A 891 -8.296 36.641 38.173 1.00 16.34 C ATOM 1853 CE2 PHE A 891 -7.039 35.359 39.770 1.00 15.69 C ATOM 1854 CZ PHE A 891 -7.104 36.388 38.843 1.00 16.40 C ATOM 0 H PHE A 891 -12.319 33.742 37.685 1.00 20.06 H new ATOM 0 HA PHE A 891 -10.042 32.481 38.427 1.00 18.63 H new ATOM 0 HB2 PHE A 891 -11.358 34.619 39.706 1.00 18.40 H new ATOM 0 HB3 PHE A 891 -10.496 33.663 40.586 1.00 18.40 H new ATOM 0 HD1 PHE A 891 -10.215 36.033 37.985 1.00 16.75 H new ATOM 0 HD2 PHE A 891 -8.119 33.895 40.648 1.00 17.32 H new ATOM 0 HE1 PHE A 891 -8.343 37.330 37.550 1.00 16.34 H new ATOM 0 HE2 PHE A 891 -6.243 35.186 40.220 1.00 15.69 H new ATOM 0 HZ PHE A 891 -6.352 36.908 38.670 1.00 16.40 H new ATOM 1855 N PRO A 892 -11.247 30.683 39.750 1.00 18.88 N ATOM 1856 CA PRO A 892 -12.082 29.736 40.493 1.00 19.73 C ATOM 1857 C PRO A 892 -12.391 30.390 41.842 1.00 20.25 C ATOM 1858 O PRO A 892 -11.574 31.145 42.368 1.00 19.45 O ATOM 1859 CB PRO A 892 -11.176 28.518 40.631 1.00 19.53 C ATOM 1860 CG PRO A 892 -10.378 28.560 39.362 1.00 20.30 C ATOM 1861 CD PRO A 892 -10.030 30.029 39.234 1.00 19.01 C ATOM 0 HA PRO A 892 -12.928 29.495 40.085 1.00 19.73 H new ATOM 0 HB2 PRO A 892 -10.609 28.577 41.416 1.00 19.53 H new ATOM 0 HB3 PRO A 892 -11.685 27.696 40.710 1.00 19.53 H new ATOM 0 HG2 PRO A 892 -9.584 28.005 39.417 1.00 20.30 H new ATOM 0 HG3 PRO A 892 -10.892 28.244 38.603 1.00 20.30 H new ATOM 0 HD2 PRO A 892 -9.245 30.262 39.754 1.00 19.01 H new ATOM 0 HD3 PRO A 892 -9.846 30.279 38.315 1.00 19.01 H new ATOM 1862 N GLU A 893 -13.564 30.112 42.399 1.00 22.73 N ATOM 1863 CA GLU A 893 -13.959 30.711 43.671 1.00 23.83 C ATOM 1864 C GLU A 893 -12.911 30.607 44.779 1.00 23.31 C ATOM 1865 O GLU A 893 -12.681 31.571 45.508 1.00 22.60 O ATOM 1866 CB GLU A 893 -15.279 30.101 44.150 1.00 26.61 C ATOM 1867 CG GLU A 893 -16.470 30.413 43.248 1.00 32.43 C ATOM 1868 CD GLU A 893 -16.881 31.878 43.283 1.00 36.89 C ATOM 1869 OE1 GLU A 893 -17.782 32.259 42.502 1.00 39.93 O ATOM 1870 OE2 GLU A 893 -16.315 32.648 44.089 1.00 38.34 O ATOM 0 H GLU A 893 -14.147 29.579 42.058 1.00 22.73 H new ATOM 0 HA GLU A 893 -14.060 31.659 43.491 1.00 23.83 H new ATOM 0 HB2 GLU A 893 -15.176 29.139 44.213 1.00 26.61 H new ATOM 0 HB3 GLU A 893 -15.469 30.425 45.044 1.00 26.61 H new ATOM 0 HG2 GLU A 893 -16.251 30.166 42.336 1.00 32.43 H new ATOM 0 HG3 GLU A 893 -17.224 29.865 43.517 1.00 32.43 H new ATOM 1871 N MET A 894 -12.272 29.449 44.912 1.00 21.93 N ATOM 1872 CA MET A 894 -11.269 29.288 45.957 1.00 22.25 C ATOM 1873 C MET A 894 -10.044 30.170 45.735 1.00 21.54 C ATOM 1874 O MET A 894 -9.486 30.721 46.687 1.00 21.16 O ATOM 1875 CB MET A 894 -10.837 27.827 46.077 1.00 25.38 C ATOM 1876 CG MET A 894 -9.754 27.618 47.128 1.00 27.30 C ATOM 1877 SD MET A 894 -9.515 25.902 47.589 1.00 32.12 S ATOM 1878 CE MET A 894 -8.608 25.292 46.150 1.00 30.73 C ATOM 0 H MET A 894 -12.401 28.757 44.418 1.00 21.93 H new ATOM 0 HA MET A 894 -11.689 29.570 46.785 1.00 22.25 H new ATOM 0 HB2 MET A 894 -11.608 27.283 46.300 1.00 25.38 H new ATOM 0 HB3 MET A 894 -10.512 27.518 45.217 1.00 25.38 H new ATOM 0 HG2 MET A 894 -8.916 27.974 46.792 1.00 27.30 H new ATOM 0 HG3 MET A 894 -9.982 28.129 47.921 1.00 27.30 H new ATOM 0 HE1 MET A 894 -9.185 24.717 45.623 1.00 30.73 H new ATOM 0 HE2 MET A 894 -8.318 26.042 45.608 1.00 30.73 H new ATOM 0 HE3 MET A 894 -7.833 24.788 46.445 1.00 30.73 H new ATOM 1879 N MET A 895 -9.624 30.309 44.483 1.00 20.24 N ATOM 1880 CA MET A 895 -8.468 31.144 44.183 1.00 19.18 C ATOM 1881 C MET A 895 -8.800 32.607 44.466 1.00 18.70 C ATOM 1882 O MET A 895 -7.972 33.347 44.994 1.00 18.31 O ATOM 1883 CB MET A 895 -8.048 30.967 42.724 1.00 19.80 C ATOM 1884 CG MET A 895 -7.658 29.540 42.378 1.00 23.22 C ATOM 1885 SD MET A 895 -6.405 28.899 43.500 1.00 30.72 S ATOM 1886 CE MET A 895 -4.997 29.725 42.853 1.00 18.58 C ATOM 0 H MET A 895 -9.989 29.934 43.801 1.00 20.24 H new ATOM 0 HA MET A 895 -7.728 30.873 44.749 1.00 19.18 H new ATOM 0 HB2 MET A 895 -8.778 31.245 42.148 1.00 19.80 H new ATOM 0 HB3 MET A 895 -7.299 31.555 42.536 1.00 19.80 H new ATOM 0 HG2 MET A 895 -8.444 28.972 42.412 1.00 23.22 H new ATOM 0 HG3 MET A 895 -7.324 29.507 41.468 1.00 23.22 H new ATOM 0 HE1 MET A 895 -4.198 29.395 43.292 1.00 18.58 H new ATOM 0 HE2 MET A 895 -4.934 29.559 41.899 1.00 18.58 H new ATOM 0 HE3 MET A 895 -5.081 30.679 43.009 1.00 18.58 H new ATOM 1887 N ALA A 896 -10.017 33.019 44.119 1.00 18.38 N ATOM 1888 CA ALA A 896 -10.453 34.391 44.358 1.00 17.68 C ATOM 1889 C ALA A 896 -10.423 34.681 45.856 1.00 17.63 C ATOM 1890 O ALA A 896 -10.072 35.781 46.283 1.00 17.66 O ATOM 1891 CB ALA A 896 -11.862 34.598 43.813 1.00 18.56 C ATOM 0 H ALA A 896 -10.606 32.518 43.743 1.00 18.38 H new ATOM 0 HA ALA A 896 -9.852 35.000 43.901 1.00 17.68 H new ATOM 0 HB1 ALA A 896 -12.142 35.512 43.977 1.00 18.56 H new ATOM 0 HB2 ALA A 896 -11.869 34.425 42.859 1.00 18.56 H new ATOM 0 HB3 ALA A 896 -12.473 33.989 44.256 1.00 18.56 H new ATOM 1892 N GLU A 897 -10.792 33.682 46.647 1.00 17.48 N ATOM 1893 CA GLU A 897 -10.807 33.818 48.095 1.00 18.19 C ATOM 1894 C GLU A 897 -9.398 34.006 48.651 1.00 16.79 C ATOM 1895 O GLU A 897 -9.137 34.948 49.389 1.00 17.12 O ATOM 1896 CB GLU A 897 -11.455 32.582 48.715 1.00 19.58 C ATOM 1897 CG GLU A 897 -11.327 32.474 50.215 1.00 24.81 C ATOM 1898 CD GLU A 897 -11.875 31.161 50.728 1.00 28.57 C ATOM 1899 OE1 GLU A 897 -13.113 30.980 50.690 1.00 29.27 O ATOM 1900 OE2 GLU A 897 -11.066 30.307 51.152 1.00 30.24 O ATOM 0 H GLU A 897 -11.040 32.910 46.361 1.00 17.48 H new ATOM 0 HA GLU A 897 -11.322 34.607 48.323 1.00 18.19 H new ATOM 0 HB2 GLU A 897 -12.397 32.578 48.484 1.00 19.58 H new ATOM 0 HB3 GLU A 897 -11.061 31.792 48.313 1.00 19.58 H new ATOM 0 HG2 GLU A 897 -10.394 32.557 50.468 1.00 24.81 H new ATOM 0 HG3 GLU A 897 -11.801 33.209 50.635 1.00 24.81 H new ATOM 1901 N ILE A 898 -8.489 33.111 48.284 1.00 16.14 N ATOM 1902 CA ILE A 898 -7.119 33.188 48.763 1.00 15.97 C ATOM 1903 C ILE A 898 -6.399 34.457 48.296 1.00 16.13 C ATOM 1904 O ILE A 898 -5.656 35.075 49.055 1.00 15.35 O ATOM 1905 CB ILE A 898 -6.321 31.954 48.303 1.00 18.21 C ATOM 1906 CG1 ILE A 898 -6.914 30.694 48.941 1.00 21.01 C ATOM 1907 CG2 ILE A 898 -4.849 32.124 48.650 1.00 20.85 C ATOM 1908 CD1 ILE A 898 -6.303 29.399 48.436 1.00 22.53 C ATOM 0 H ILE A 898 -8.647 32.450 47.757 1.00 16.14 H new ATOM 0 HA ILE A 898 -7.166 33.215 49.731 1.00 15.97 H new ATOM 0 HB ILE A 898 -6.384 31.862 47.339 1.00 18.21 H new ATOM 0 HG12 ILE A 898 -6.795 30.743 49.902 1.00 21.01 H new ATOM 0 HG13 ILE A 898 -7.869 30.677 48.773 1.00 21.01 H new ATOM 0 HG21 ILE A 898 -4.355 31.343 48.357 1.00 20.85 H new ATOM 0 HG22 ILE A 898 -4.500 32.912 48.205 1.00 20.85 H new ATOM 0 HG23 ILE A 898 -4.752 32.226 49.610 1.00 20.85 H new ATOM 0 HD11 ILE A 898 -6.724 28.647 48.881 1.00 22.53 H new ATOM 0 HD12 ILE A 898 -6.442 29.327 47.479 1.00 22.53 H new ATOM 0 HD13 ILE A 898 -5.352 29.394 48.625 1.00 22.53 H new ATOM 1909 N ILE A 899 -6.631 34.857 47.053 1.00 15.49 N ATOM 1910 CA ILE A 899 -5.971 36.036 46.521 1.00 14.50 C ATOM 1911 C ILE A 899 -6.517 37.349 47.085 1.00 15.74 C ATOM 1912 O ILE A 899 -5.809 38.356 47.104 1.00 16.25 O ATOM 1913 CB ILE A 899 -6.034 36.027 44.969 1.00 15.18 C ATOM 1914 CG1 ILE A 899 -5.239 34.825 44.450 1.00 16.46 C ATOM 1915 CG2 ILE A 899 -5.459 37.315 44.396 1.00 15.18 C ATOM 1916 CD1 ILE A 899 -5.460 34.503 42.986 1.00 15.53 C ATOM 0 H ILE A 899 -7.164 34.462 46.506 1.00 15.49 H new ATOM 0 HA ILE A 899 -5.045 35.992 46.808 1.00 14.50 H new ATOM 0 HB ILE A 899 -6.960 35.961 44.688 1.00 15.18 H new ATOM 0 HG12 ILE A 899 -4.294 34.992 44.593 1.00 16.46 H new ATOM 0 HG13 ILE A 899 -5.472 34.046 44.979 1.00 16.46 H new ATOM 0 HG21 ILE A 899 -5.508 37.289 43.428 1.00 15.18 H new ATOM 0 HG22 ILE A 899 -5.969 38.072 44.725 1.00 15.18 H new ATOM 0 HG23 ILE A 899 -4.533 37.406 44.670 1.00 15.18 H new ATOM 0 HD11 ILE A 899 -4.923 33.734 42.739 1.00 15.53 H new ATOM 0 HD12 ILE A 899 -6.398 34.304 42.836 1.00 15.53 H new ATOM 0 HD13 ILE A 899 -5.201 35.265 42.444 1.00 15.53 H new ATOM 1917 N SER A 900 -7.757 37.335 47.571 1.00 14.91 N ATOM 1918 CA SER A 900 -8.353 38.544 48.137 1.00 16.08 C ATOM 1919 C SER A 900 -8.239 38.603 49.662 1.00 15.97 C ATOM 1920 O SER A 900 -8.304 39.681 50.247 1.00 16.25 O ATOM 1921 CB SER A 900 -9.833 38.665 47.725 1.00 16.08 C ATOM 1922 OG SER A 900 -10.629 37.644 48.304 1.00 17.98 O ATOM 0 H SER A 900 -8.266 36.642 47.583 1.00 14.91 H new ATOM 0 HA SER A 900 -7.850 39.291 47.777 1.00 16.08 H new ATOM 0 HB2 SER A 900 -10.174 39.532 47.995 1.00 16.08 H new ATOM 0 HB3 SER A 900 -9.904 38.621 46.759 1.00 16.08 H new ATOM 0 HG SER A 900 -10.586 36.952 47.830 1.00 17.98 H new ATOM 1923 N VAL A 901 -8.051 37.449 50.300 1.00 17.05 N ATOM 1924 CA VAL A 901 -7.954 37.391 51.757 1.00 18.39 C ATOM 1925 C VAL A 901 -6.548 37.170 52.311 1.00 18.55 C ATOM 1926 O VAL A 901 -6.165 37.789 53.304 1.00 20.24 O ATOM 1927 CB VAL A 901 -8.875 36.279 52.328 1.00 18.05 C ATOM 1928 CG1 VAL A 901 -8.696 36.169 53.837 1.00 20.74 C ATOM 1929 CG2 VAL A 901 -10.329 36.583 51.993 1.00 20.14 C ATOM 0 H VAL A 901 -7.977 36.688 49.907 1.00 17.05 H new ATOM 0 HA VAL A 901 -8.235 38.274 52.044 1.00 18.39 H new ATOM 0 HB VAL A 901 -8.630 35.432 51.924 1.00 18.05 H new ATOM 0 HG11 VAL A 901 -9.276 35.472 54.182 1.00 20.74 H new ATOM 0 HG12 VAL A 901 -7.773 35.950 54.038 1.00 20.74 H new ATOM 0 HG13 VAL A 901 -8.925 37.015 54.253 1.00 20.74 H new ATOM 0 HG21 VAL A 901 -10.897 35.884 52.353 1.00 20.14 H new ATOM 0 HG22 VAL A 901 -10.580 37.435 52.382 1.00 20.14 H new ATOM 0 HG23 VAL A 901 -10.438 36.623 51.030 1.00 20.14 H new ATOM 1930 N GLN A 902 -5.775 36.296 51.671 1.00 17.98 N ATOM 1931 CA GLN A 902 -4.434 35.990 52.158 1.00 17.54 C ATOM 1932 C GLN A 902 -3.310 36.745 51.454 1.00 17.20 C ATOM 1933 O GLN A 902 -2.434 37.317 52.103 1.00 17.81 O ATOM 1934 CB GLN A 902 -4.179 34.483 52.043 1.00 19.84 C ATOM 1935 CG GLN A 902 -5.250 33.606 52.688 1.00 23.25 C ATOM 1936 CD GLN A 902 -5.407 33.861 54.171 1.00 25.41 C ATOM 1937 OE1 GLN A 902 -4.497 34.368 54.826 1.00 27.67 O ATOM 1938 NE2 GLN A 902 -6.564 33.495 54.716 1.00 27.29 N ATOM 0 H GLN A 902 -6.006 35.873 50.959 1.00 17.98 H new ATOM 0 HA GLN A 902 -4.417 36.286 53.082 1.00 17.54 H new ATOM 0 HB2 GLN A 902 -4.109 34.250 51.104 1.00 19.84 H new ATOM 0 HB3 GLN A 902 -3.323 34.280 52.451 1.00 19.84 H new ATOM 0 HG2 GLN A 902 -6.099 33.763 52.246 1.00 23.25 H new ATOM 0 HG3 GLN A 902 -5.025 32.673 52.547 1.00 23.25 H new ATOM 0 HE21 GLN A 902 -7.178 33.143 54.227 1.00 27.29 H new ATOM 0 HE22 GLN A 902 -6.698 33.610 55.558 1.00 27.29 H new ATOM 1939 N VAL A 903 -3.332 36.741 50.127 1.00 14.79 N ATOM 1940 CA VAL A 903 -2.300 37.419 49.357 1.00 15.56 C ATOM 1941 C VAL A 903 -2.081 38.889 49.741 1.00 15.05 C ATOM 1942 O VAL A 903 -0.945 39.352 49.788 1.00 15.18 O ATOM 1943 CB VAL A 903 -2.580 37.301 47.839 1.00 15.59 C ATOM 1944 CG1 VAL A 903 -1.585 38.144 47.048 1.00 16.80 C ATOM 1945 CG2 VAL A 903 -2.458 35.842 47.411 1.00 19.01 C ATOM 0 H VAL A 903 -3.936 36.352 49.654 1.00 14.79 H new ATOM 0 HA VAL A 903 -1.475 36.960 49.579 1.00 15.56 H new ATOM 0 HB VAL A 903 -3.477 37.623 47.661 1.00 15.59 H new ATOM 0 HG11 VAL A 903 -1.772 38.061 46.100 1.00 16.80 H new ATOM 0 HG12 VAL A 903 -1.666 39.074 47.313 1.00 16.80 H new ATOM 0 HG13 VAL A 903 -0.683 37.834 47.228 1.00 16.80 H new ATOM 0 HG21 VAL A 903 -2.633 35.768 46.460 1.00 19.01 H new ATOM 0 HG22 VAL A 903 -1.562 35.523 47.600 1.00 19.01 H new ATOM 0 HG23 VAL A 903 -3.101 35.306 47.901 1.00 19.01 H new ATOM 1946 N PRO A 904 -3.156 39.645 50.033 1.00 14.76 N ATOM 1947 CA PRO A 904 -2.927 41.048 50.398 1.00 14.75 C ATOM 1948 C PRO A 904 -2.138 41.213 51.701 1.00 15.10 C ATOM 1949 O PRO A 904 -1.496 42.247 51.916 1.00 15.58 O ATOM 1950 CB PRO A 904 -4.345 41.621 50.494 1.00 15.11 C ATOM 1951 CG PRO A 904 -5.134 40.743 49.567 1.00 15.32 C ATOM 1952 CD PRO A 904 -4.596 39.371 49.898 1.00 15.24 C ATOM 0 HA PRO A 904 -2.374 41.511 49.749 1.00 14.75 H new ATOM 0 HB2 PRO A 904 -4.686 41.582 51.401 1.00 15.11 H new ATOM 0 HB3 PRO A 904 -4.375 42.551 50.219 1.00 15.11 H new ATOM 0 HG2 PRO A 904 -6.088 40.808 49.730 1.00 15.32 H new ATOM 0 HG3 PRO A 904 -4.989 40.975 48.636 1.00 15.32 H new ATOM 0 HD2 PRO A 904 -4.978 39.017 50.716 1.00 15.24 H new ATOM 0 HD3 PRO A 904 -4.781 38.727 49.196 1.00 15.24 H new ATOM 1953 N LYS A 905 -2.190 40.204 52.569 1.00 15.30 N ATOM 1954 CA LYS A 905 -1.450 40.255 53.831 1.00 15.13 C ATOM 1955 C LYS A 905 0.037 40.250 53.501 1.00 16.16 C ATOM 1956 O LYS A 905 0.846 40.866 54.195 1.00 16.36 O ATOM 1957 CB LYS A 905 -1.767 39.041 54.707 1.00 16.83 C ATOM 1958 CG LYS A 905 -3.205 38.949 55.186 1.00 19.26 C ATOM 1959 CD LYS A 905 -3.399 37.676 56.005 1.00 22.45 C ATOM 1960 CE LYS A 905 -4.842 37.487 56.435 1.00 27.40 C ATOM 1961 NZ LYS A 905 -5.007 36.196 57.163 1.00 31.05 N ATOM 0 H LYS A 905 -2.645 39.484 52.448 1.00 15.30 H new ATOM 0 HA LYS A 905 -1.703 41.055 54.318 1.00 15.13 H new ATOM 0 HB2 LYS A 905 -1.555 38.236 54.209 1.00 16.83 H new ATOM 0 HB3 LYS A 905 -1.183 39.057 55.482 1.00 16.83 H new ATOM 0 HG2 LYS A 905 -3.426 39.726 55.724 1.00 19.26 H new ATOM 0 HG3 LYS A 905 -3.808 38.949 54.426 1.00 19.26 H new ATOM 0 HD2 LYS A 905 -3.116 36.910 55.481 1.00 22.45 H new ATOM 0 HD3 LYS A 905 -2.831 37.709 56.790 1.00 22.45 H new ATOM 0 HE2 LYS A 905 -5.114 38.223 57.005 1.00 27.40 H new ATOM 0 HE3 LYS A 905 -5.421 37.502 55.657 1.00 27.40 H new ATOM 0 HZ1 LYS A 905 -5.821 36.158 57.520 1.00 31.05 H new ATOM 0 HZ2 LYS A 905 -4.901 35.519 56.595 1.00 31.05 H new ATOM 0 HZ3 LYS A 905 -4.397 36.139 57.809 1.00 31.05 H new ATOM 1962 N ILE A 906 0.394 39.531 52.442 1.00 16.14 N ATOM 1963 CA ILE A 906 1.783 39.459 52.016 1.00 16.70 C ATOM 1964 C ILE A 906 2.180 40.771 51.347 1.00 17.21 C ATOM 1965 O ILE A 906 3.223 41.356 51.653 1.00 17.53 O ATOM 1966 CB ILE A 906 1.998 38.307 51.010 1.00 16.81 C ATOM 1967 CG1 ILE A 906 1.702 36.963 51.684 1.00 18.11 C ATOM 1968 CG2 ILE A 906 3.433 38.334 50.481 1.00 18.23 C ATOM 1969 CD1 ILE A 906 1.797 35.769 50.742 1.00 19.84 C ATOM 0 H ILE A 906 -0.154 39.078 51.958 1.00 16.14 H new ATOM 0 HA ILE A 906 2.330 39.298 52.801 1.00 16.70 H new ATOM 0 HB ILE A 906 1.390 38.421 50.262 1.00 16.81 H new ATOM 0 HG12 ILE A 906 2.323 36.835 52.418 1.00 18.11 H new ATOM 0 HG13 ILE A 906 0.811 36.992 52.067 1.00 18.11 H new ATOM 0 HG21 ILE A 906 3.559 37.608 49.850 1.00 18.23 H new ATOM 0 HG22 ILE A 906 3.598 39.180 50.036 1.00 18.23 H new ATOM 0 HG23 ILE A 906 4.053 38.231 51.220 1.00 18.23 H new ATOM 0 HD11 ILE A 906 1.599 34.955 51.230 1.00 19.84 H new ATOM 0 HD12 ILE A 906 1.159 35.875 50.019 1.00 19.84 H new ATOM 0 HD13 ILE A 906 2.694 35.716 50.376 1.00 19.84 H new ATOM 1970 N LEU A 907 1.335 41.243 50.438 1.00 16.24 N ATOM 1971 CA LEU A 907 1.624 42.474 49.718 1.00 16.35 C ATOM 1972 C LEU A 907 1.677 43.714 50.609 1.00 16.65 C ATOM 1973 O LEU A 907 2.389 44.669 50.296 1.00 18.59 O ATOM 1974 CB LEU A 907 0.603 42.669 48.594 1.00 16.48 C ATOM 1975 CG LEU A 907 0.663 41.588 47.505 1.00 16.84 C ATOM 1976 CD1 LEU A 907 -0.344 41.895 46.416 1.00 17.46 C ATOM 1977 CD2 LEU A 907 2.071 41.522 46.915 1.00 17.97 C ATOM 0 H LEU A 907 0.592 40.867 50.225 1.00 16.24 H new ATOM 0 HA LEU A 907 2.516 42.374 49.349 1.00 16.35 H new ATOM 0 HB2 LEU A 907 -0.288 42.681 48.977 1.00 16.48 H new ATOM 0 HB3 LEU A 907 0.747 43.536 48.185 1.00 16.48 H new ATOM 0 HG LEU A 907 0.446 40.729 47.899 1.00 16.84 H new ATOM 0 HD11 LEU A 907 -0.301 41.209 45.732 1.00 17.46 H new ATOM 0 HD12 LEU A 907 -1.236 41.916 46.796 1.00 17.46 H new ATOM 0 HD13 LEU A 907 -0.141 42.757 46.021 1.00 17.46 H new ATOM 0 HD21 LEU A 907 2.103 40.838 46.228 1.00 17.97 H new ATOM 0 HD22 LEU A 907 2.300 42.381 46.526 1.00 17.97 H new ATOM 0 HD23 LEU A 907 2.706 41.306 47.616 1.00 17.97 H new ATOM 1978 N SER A 908 0.940 43.697 51.717 1.00 16.10 N ATOM 1979 CA SER A 908 0.925 44.835 52.633 1.00 16.65 C ATOM 1980 C SER A 908 1.998 44.735 53.715 1.00 17.53 C ATOM 1981 O SER A 908 2.065 45.582 54.606 1.00 18.69 O ATOM 1982 CB SER A 908 -0.452 44.983 53.287 1.00 14.70 C ATOM 1983 OG SER A 908 -0.713 43.927 54.191 1.00 16.17 O ATOM 0 H SER A 908 0.443 43.038 51.956 1.00 16.10 H new ATOM 0 HA SER A 908 1.121 45.621 52.099 1.00 16.65 H new ATOM 0 HB2 SER A 908 -0.499 45.831 53.756 1.00 14.70 H new ATOM 0 HB3 SER A 908 -1.137 45.000 52.601 1.00 14.70 H new ATOM 0 HG SER A 908 -1.006 43.262 53.769 1.00 16.17 H new ATOM 1984 N GLY A 909 2.823 43.692 53.642 1.00 16.53 N ATOM 1985 CA GLY A 909 3.904 43.533 54.600 1.00 18.00 C ATOM 1986 C GLY A 909 3.583 42.907 55.945 1.00 16.26 C ATOM 1987 O GLY A 909 4.430 42.900 56.837 1.00 20.33 O ATOM 0 H GLY A 909 2.772 43.072 53.049 1.00 16.53 H new ATOM 0 HA2 GLY A 909 4.595 42.997 54.181 1.00 18.00 H new ATOM 0 HA3 GLY A 909 4.286 44.409 54.764 1.00 18.00 H new ATOM 1988 N LYS A 910 2.375 42.383 56.105 1.00 15.94 N ATOM 1989 CA LYS A 910 1.987 41.754 57.361 1.00 17.72 C ATOM 1990 C LYS A 910 2.507 40.315 57.454 1.00 17.51 C ATOM 1991 O LYS A 910 2.657 39.765 58.552 1.00 17.49 O ATOM 1992 CB LYS A 910 0.463 41.804 57.503 1.00 18.74 C ATOM 1993 CG LYS A 910 -0.057 43.238 57.630 1.00 21.95 C ATOM 1994 CD LYS A 910 -1.574 43.337 57.480 1.00 25.06 C ATOM 1995 CE LYS A 910 -2.316 42.676 58.622 1.00 28.29 C ATOM 1996 NZ LYS A 910 -3.784 42.889 58.473 1.00 27.48 N ATOM 0 H LYS A 910 1.765 42.381 55.499 1.00 15.94 H new ATOM 0 HA LYS A 910 2.390 42.245 58.094 1.00 17.72 H new ATOM 0 HB2 LYS A 910 0.054 41.380 56.733 1.00 18.74 H new ATOM 0 HB3 LYS A 910 0.195 41.294 58.283 1.00 18.74 H new ATOM 0 HG2 LYS A 910 0.202 43.595 58.494 1.00 21.95 H new ATOM 0 HG3 LYS A 910 0.367 43.792 56.955 1.00 21.95 H new ATOM 0 HD2 LYS A 910 -1.830 44.271 57.430 1.00 25.06 H new ATOM 0 HD3 LYS A 910 -1.841 42.924 56.644 1.00 25.06 H new ATOM 0 HE2 LYS A 910 -2.120 41.726 58.637 1.00 28.29 H new ATOM 0 HE3 LYS A 910 -2.013 43.042 59.468 1.00 28.29 H new ATOM 0 HZ1 LYS A 910 -4.211 42.497 59.148 1.00 27.48 H new ATOM 0 HZ2 LYS A 910 -3.960 43.761 58.478 1.00 27.48 H new ATOM 0 HZ3 LYS A 910 -4.059 42.536 57.704 1.00 27.48 H new ATOM 1997 N VAL A 911 2.780 39.719 56.296 1.00 16.33 N ATOM 1998 CA VAL A 911 3.312 38.360 56.194 1.00 16.30 C ATOM 1999 C VAL A 911 4.548 38.504 55.306 1.00 16.28 C ATOM 2000 O VAL A 911 4.469 39.072 54.216 1.00 16.87 O ATOM 2001 CB VAL A 911 2.279 37.405 55.544 1.00 17.28 C ATOM 2002 CG1 VAL A 911 2.904 36.043 55.290 1.00 19.66 C ATOM 2003 CG2 VAL A 911 1.066 37.260 56.460 1.00 19.87 C ATOM 0 H VAL A 911 2.660 40.099 55.534 1.00 16.33 H new ATOM 0 HA VAL A 911 3.519 37.980 57.062 1.00 16.30 H new ATOM 0 HB VAL A 911 1.997 37.779 54.695 1.00 17.28 H new ATOM 0 HG11 VAL A 911 2.247 35.456 54.884 1.00 19.66 H new ATOM 0 HG12 VAL A 911 3.663 36.141 54.693 1.00 19.66 H new ATOM 0 HG13 VAL A 911 3.202 35.661 56.131 1.00 19.66 H new ATOM 0 HG21 VAL A 911 0.421 36.662 56.051 1.00 19.87 H new ATOM 0 HG22 VAL A 911 1.347 36.897 57.314 1.00 19.87 H new ATOM 0 HG23 VAL A 911 0.658 38.129 56.597 1.00 19.87 H new ATOM 2004 N LYS A 912 5.686 37.998 55.770 1.00 16.60 N ATOM 2005 CA LYS A 912 6.928 38.154 55.019 1.00 17.14 C ATOM 2006 C LYS A 912 7.737 36.877 54.856 1.00 16.07 C ATOM 2007 O LYS A 912 7.693 35.987 55.701 1.00 15.65 O ATOM 2008 CB LYS A 912 7.824 39.182 55.717 1.00 18.69 C ATOM 2009 CG LYS A 912 7.192 40.541 55.976 1.00 21.30 C ATOM 2010 CD LYS A 912 8.114 41.391 56.845 1.00 25.73 C ATOM 2011 CE LYS A 912 7.461 42.705 57.246 1.00 29.68 C ATOM 2012 NZ LYS A 912 8.250 43.411 58.300 1.00 33.00 N ATOM 0 H LYS A 912 5.761 37.565 56.509 1.00 16.60 H new ATOM 0 HA LYS A 912 6.655 38.437 54.132 1.00 17.14 H new ATOM 0 HB2 LYS A 912 8.113 38.811 56.565 1.00 18.69 H new ATOM 0 HB3 LYS A 912 8.620 39.311 55.178 1.00 18.69 H new ATOM 0 HG2 LYS A 912 7.022 40.992 55.134 1.00 21.30 H new ATOM 0 HG3 LYS A 912 6.335 40.428 56.415 1.00 21.30 H new ATOM 0 HD2 LYS A 912 8.356 40.894 57.642 1.00 25.73 H new ATOM 0 HD3 LYS A 912 8.936 41.572 56.363 1.00 25.73 H new ATOM 0 HE2 LYS A 912 7.376 43.276 56.467 1.00 29.68 H new ATOM 0 HE3 LYS A 912 6.563 42.535 57.572 1.00 29.68 H new ATOM 0 HZ1 LYS A 912 7.845 44.174 58.514 1.00 33.00 H new ATOM 0 HZ2 LYS A 912 8.309 42.895 59.023 1.00 33.00 H new ATOM 0 HZ3 LYS A 912 9.067 43.586 57.993 1.00 33.00 H new ATOM 2013 N PRO A 913 8.502 36.780 53.758 1.00 16.54 N ATOM 2014 CA PRO A 913 9.321 35.589 53.532 1.00 17.90 C ATOM 2015 C PRO A 913 10.509 35.602 54.488 1.00 18.46 C ATOM 2016 O PRO A 913 10.925 36.664 54.965 1.00 20.47 O ATOM 2017 CB PRO A 913 9.787 35.752 52.085 1.00 19.12 C ATOM 2018 CG PRO A 913 8.722 36.597 51.464 1.00 19.74 C ATOM 2019 CD PRO A 913 8.440 37.609 52.542 1.00 18.56 C ATOM 0 HA PRO A 913 8.850 34.754 53.680 1.00 17.90 H new ATOM 0 HB2 PRO A 913 10.656 36.181 52.036 1.00 19.12 H new ATOM 0 HB3 PRO A 913 9.868 34.895 51.638 1.00 19.12 H new ATOM 0 HG2 PRO A 913 9.026 37.017 50.645 1.00 19.74 H new ATOM 0 HG3 PRO A 913 7.934 36.078 51.241 1.00 19.74 H new ATOM 0 HD2 PRO A 913 9.098 38.321 52.553 1.00 18.56 H new ATOM 0 HD3 PRO A 913 7.572 38.027 52.431 1.00 18.56 H new ATOM 2020 N ILE A 914 11.042 34.421 54.772 1.00 18.42 N ATOM 2021 CA ILE A 914 12.217 34.302 55.623 1.00 20.50 C ATOM 2022 C ILE A 914 13.373 34.125 54.651 1.00 20.70 C ATOM 2023 O ILE A 914 13.493 33.083 54.005 1.00 21.39 O ATOM 2024 CB ILE A 914 12.153 33.057 56.532 1.00 20.41 C ATOM 2025 CG1 ILE A 914 10.940 33.139 57.458 1.00 21.21 C ATOM 2026 CG2 ILE A 914 13.437 32.953 57.355 1.00 21.63 C ATOM 2027 CD1 ILE A 914 10.715 31.880 58.273 1.00 21.78 C ATOM 0 H ILE A 914 10.736 33.672 54.480 1.00 18.42 H new ATOM 0 HA ILE A 914 12.298 35.074 56.205 1.00 20.50 H new ATOM 0 HB ILE A 914 12.065 32.266 55.978 1.00 20.41 H new ATOM 0 HG12 ILE A 914 11.053 33.890 58.061 1.00 21.21 H new ATOM 0 HG13 ILE A 914 10.148 33.318 56.927 1.00 21.21 H new ATOM 0 HG21 ILE A 914 13.394 32.170 57.925 1.00 21.63 H new ATOM 0 HG22 ILE A 914 14.198 32.877 56.759 1.00 21.63 H new ATOM 0 HG23 ILE A 914 13.535 33.747 57.904 1.00 21.63 H new ATOM 0 HD11 ILE A 914 9.935 31.995 58.837 1.00 21.78 H new ATOM 0 HD12 ILE A 914 10.574 31.129 57.676 1.00 21.78 H new ATOM 0 HD13 ILE A 914 11.492 31.710 58.828 1.00 21.78 H new ATOM 2028 N TYR A 915 14.205 35.152 54.523 1.00 20.58 N ATOM 2029 CA TYR A 915 15.340 35.080 53.624 1.00 21.06 C ATOM 2030 C TYR A 915 16.551 34.560 54.375 1.00 21.12 C ATOM 2031 O TYR A 915 16.718 34.818 55.566 1.00 24.24 O ATOM 2032 CB TYR A 915 15.664 36.460 53.041 1.00 21.15 C ATOM 2033 CG TYR A 915 14.702 36.938 51.978 1.00 21.95 C ATOM 2034 CD1 TYR A 915 13.614 37.754 52.299 1.00 24.25 C ATOM 2035 CD2 TYR A 915 14.889 36.587 50.642 1.00 24.01 C ATOM 2036 CE1 TYR A 915 12.741 38.210 51.305 1.00 24.09 C ATOM 2037 CE2 TYR A 915 14.028 37.032 49.651 1.00 25.78 C ATOM 2038 CZ TYR A 915 12.958 37.842 49.985 1.00 25.13 C ATOM 2039 OH TYR A 915 12.112 38.280 48.990 1.00 29.88 O ATOM 0 H TYR A 915 14.128 35.896 54.948 1.00 20.58 H new ATOM 0 HA TYR A 915 15.115 34.479 52.897 1.00 21.06 H new ATOM 0 HB2 TYR A 915 15.677 37.108 53.763 1.00 21.15 H new ATOM 0 HB3 TYR A 915 16.558 36.437 52.664 1.00 21.15 H new ATOM 0 HD1 TYR A 915 13.468 37.997 53.185 1.00 24.25 H new ATOM 0 HD2 TYR A 915 15.607 36.043 50.411 1.00 24.01 H new ATOM 0 HE1 TYR A 915 12.021 38.755 51.527 1.00 24.09 H new ATOM 0 HE2 TYR A 915 14.169 36.787 48.765 1.00 25.78 H new ATOM 0 HH TYR A 915 12.370 37.978 48.250 1.00 29.88 H new ATOM 2040 N PHE A 916 17.391 33.800 53.692 1.00 18.80 N ATOM 2041 CA PHE A 916 18.595 33.307 54.334 1.00 18.20 C ATOM 2042 C PHE A 916 19.632 34.416 54.277 1.00 18.79 C ATOM 2043 O PHE A 916 20.398 34.608 55.227 1.00 19.04 O ATOM 2044 CB PHE A 916 19.154 32.087 53.600 1.00 17.58 C ATOM 2045 CG PHE A 916 18.460 30.808 53.934 1.00 19.05 C ATOM 2046 CD1 PHE A 916 17.474 30.289 53.100 1.00 19.45 C ATOM 2047 CD2 PHE A 916 18.771 30.134 55.108 1.00 19.99 C ATOM 2048 CE1 PHE A 916 16.805 29.112 53.439 1.00 20.73 C ATOM 2049 CE2 PHE A 916 18.111 28.962 55.456 1.00 21.34 C ATOM 2050 CZ PHE A 916 17.125 28.450 54.621 1.00 21.20 C ATOM 0 H PHE A 916 17.286 33.562 52.872 1.00 18.80 H new ATOM 0 HA PHE A 916 18.388 33.049 55.246 1.00 18.20 H new ATOM 0 HB2 PHE A 916 19.090 32.239 52.644 1.00 17.58 H new ATOM 0 HB3 PHE A 916 20.097 31.998 53.811 1.00 17.58 H new ATOM 0 HD1 PHE A 916 17.259 30.730 52.310 1.00 19.45 H new ATOM 0 HD2 PHE A 916 19.431 30.472 55.669 1.00 19.99 H new ATOM 0 HE1 PHE A 916 16.147 28.771 52.877 1.00 20.73 H new ATOM 0 HE2 PHE A 916 18.328 28.521 56.246 1.00 21.34 H new ATOM 0 HZ PHE A 916 16.680 27.667 54.851 1.00 21.20 H new ATOM 2051 N HIS A 917 19.656 35.125 53.150 1.00 18.74 N ATOM 2052 CA HIS A 917 20.614 36.197 52.921 1.00 22.04 C ATOM 2053 C HIS A 917 19.882 37.529 52.888 1.00 26.43 C ATOM 2054 O HIS A 917 18.653 37.577 52.760 1.00 29.14 O ATOM 2055 CB HIS A 917 21.348 35.958 51.606 1.00 19.44 C ATOM 2056 CG HIS A 917 22.030 34.618 51.521 1.00 17.35 C ATOM 2057 ND1 HIS A 917 23.308 34.397 51.991 1.00 19.15 N ATOM 2058 CD2 HIS A 917 21.595 33.423 51.048 1.00 17.41 C ATOM 2059 CE1 HIS A 917 23.629 33.125 51.810 1.00 19.16 C ATOM 2060 NE2 HIS A 917 22.607 32.512 51.240 1.00 18.68 N ATOM 0 H HIS A 917 19.113 34.995 52.496 1.00 18.74 H new ATOM 0 HA HIS A 917 21.265 36.214 53.640 1.00 22.04 H new ATOM 0 HB2 HIS A 917 20.716 36.036 50.874 1.00 19.44 H new ATOM 0 HB3 HIS A 917 22.010 36.656 51.484 1.00 19.44 H new ATOM 0 HD1 HIS A 917 23.817 34.992 52.346 1.00 19.15 H new ATOM 0 HD2 HIS A 917 20.765 33.252 50.665 1.00 17.41 H new ATOM 0 HE1 HIS A 917 24.438 32.730 52.045 1.00 19.16 H new ATOM 2061 N THR A 918 20.632 38.615 53.020 1.00 30.58 N ATOM 2062 CA THR A 918 20.007 39.929 53.062 1.00 35.01 C ATOM 2063 C THR A 918 20.169 40.624 51.734 1.00 36.97 C ATOM 2064 O THR A 918 21.044 40.218 50.944 1.00 39.23 O ATOM 2065 CB THR A 918 20.624 40.798 54.162 1.00 35.24 C ATOM 2066 OG1 THR A 918 20.780 40.001 55.335 1.00 33.89 O ATOM 2067 CG2 THR A 918 19.704 41.969 54.510 1.00 34.84 C ATOM 0 H THR A 918 21.489 38.615 53.086 1.00 30.58 H new ATOM 0 HA THR A 918 19.065 39.803 53.254 1.00 35.01 H new ATOM 0 HB THR A 918 21.475 41.141 53.847 1.00 35.24 H new ATOM 0 HG1 THR A 918 20.026 39.744 55.601 1.00 33.89 H new ATOM 0 HG21 THR A 918 20.113 42.506 55.207 1.00 34.84 H new ATOM 0 HG22 THR A 918 19.564 42.516 53.721 1.00 34.84 H new ATOM 0 HG23 THR A 918 18.851 41.629 54.822 1.00 34.84 H new TER 2068 THR A 918 ATOM 2069 N SER B 98 -9.316 30.268 54.418 1.00 41.80 N ATOM 2070 CA SER B 98 -10.711 30.758 54.611 1.00 41.86 C ATOM 2071 C SER B 98 -11.708 29.631 54.370 1.00 40.00 C ATOM 2072 O SER B 98 -11.315 28.490 54.159 1.00 40.86 O ATOM 2073 CB SER B 98 -10.998 31.921 53.661 1.00 43.12 C ATOM 2074 OG SER B 98 -10.045 32.955 53.832 1.00 44.06 O ATOM 0 HA SER B 98 -10.805 31.067 55.526 1.00 41.86 H new ATOM 0 HB2 SER B 98 -10.980 31.607 52.743 1.00 43.12 H new ATOM 0 HB3 SER B 98 -11.889 32.266 53.825 1.00 43.12 H new ATOM 0 HG SER B 98 -9.346 32.638 54.173 1.00 44.06 H new ATOM 2075 N SER B 99 -12.995 29.961 54.387 1.00 38.35 N ATOM 2076 CA SER B 99 -14.055 28.975 54.203 1.00 35.59 C ATOM 2077 C SER B 99 -13.821 27.931 53.108 1.00 32.69 C ATOM 2078 O SER B 99 -13.803 26.736 53.390 1.00 31.83 O ATOM 2079 CB SER B 99 -15.390 29.680 53.957 1.00 37.28 C ATOM 2080 OG SER B 99 -16.464 28.759 54.050 1.00 38.87 O ATOM 0 H SER B 99 -13.279 30.764 54.506 1.00 38.35 H new ATOM 0 HA SER B 99 -14.062 28.472 55.032 1.00 35.59 H new ATOM 0 HB2 SER B 99 -15.510 30.392 54.605 1.00 37.28 H new ATOM 0 HB3 SER B 99 -15.387 30.093 53.079 1.00 37.28 H new ATOM 0 HG SER B 99 -17.190 29.160 53.914 1.00 38.87 H new ATOM 2081 N ARG B 100 -13.653 28.369 51.862 1.00 29.88 N ATOM 2082 CA ARG B 100 -13.436 27.421 50.768 1.00 28.10 C ATOM 2083 C ARG B 100 -12.160 26.606 50.955 1.00 26.43 C ATOM 2084 O ARG B 100 -12.164 25.382 50.800 1.00 25.74 O ATOM 2085 CB ARG B 100 -13.396 28.151 49.424 1.00 29.93 C ATOM 2086 CG ARG B 100 -14.730 28.771 49.040 1.00 33.08 C ATOM 2087 CD ARG B 100 -14.676 29.440 47.677 1.00 35.42 C ATOM 2088 NE ARG B 100 -15.960 30.039 47.324 1.00 38.74 N ATOM 2089 CZ ARG B 100 -16.539 31.023 48.006 1.00 39.18 C ATOM 2090 NH1 ARG B 100 -15.947 31.526 49.083 1.00 39.22 N ATOM 2091 NH2 ARG B 100 -17.711 31.502 47.615 1.00 39.79 N ATOM 0 H ARG B 100 -13.661 29.197 51.630 1.00 29.88 H new ATOM 0 HA ARG B 100 -14.184 26.803 50.777 1.00 28.10 H new ATOM 0 HB2 ARG B 100 -12.721 28.847 49.460 1.00 29.93 H new ATOM 0 HB3 ARG B 100 -13.124 27.528 48.732 1.00 29.93 H new ATOM 0 HG2 ARG B 100 -15.415 28.085 49.035 1.00 33.08 H new ATOM 0 HG3 ARG B 100 -14.987 29.424 49.710 1.00 33.08 H new ATOM 0 HD2 ARG B 100 -13.988 30.124 47.678 1.00 35.42 H new ATOM 0 HD3 ARG B 100 -14.426 28.787 47.004 1.00 35.42 H new ATOM 0 HE ARG B 100 -16.368 29.736 46.630 1.00 38.74 H new ATOM 0 HH11 ARG B 100 -15.188 31.215 49.341 1.00 39.22 H new ATOM 0 HH12 ARG B 100 -16.323 32.162 49.523 1.00 39.22 H new ATOM 0 HH21 ARG B 100 -18.098 31.177 46.919 1.00 39.79 H new ATOM 0 HH22 ARG B 100 -18.084 32.138 48.057 1.00 39.79 H new ATOM 2092 N PHE B 101 -11.066 27.279 51.286 1.00 24.51 N ATOM 2093 CA PHE B 101 -9.814 26.573 51.501 1.00 22.73 C ATOM 2094 C PHE B 101 -9.917 25.672 52.729 1.00 23.26 C ATOM 2095 O PHE B 101 -9.428 24.542 52.725 1.00 22.63 O ATOM 2096 CB PHE B 101 -8.659 27.553 51.703 1.00 22.32 C ATOM 2097 CG PHE B 101 -7.355 26.873 51.977 1.00 19.48 C ATOM 2098 CD1 PHE B 101 -6.633 26.291 50.943 1.00 19.99 C ATOM 2099 CD2 PHE B 101 -6.888 26.742 53.279 1.00 19.81 C ATOM 2100 CE1 PHE B 101 -5.466 25.584 51.202 1.00 18.28 C ATOM 2101 CE2 PHE B 101 -5.723 26.035 53.553 1.00 20.32 C ATOM 2102 CZ PHE B 101 -5.012 25.454 52.511 1.00 19.82 C ATOM 0 H PHE B 101 -11.027 28.132 51.390 1.00 24.51 H new ATOM 0 HA PHE B 101 -9.641 26.036 50.712 1.00 22.73 H new ATOM 0 HB2 PHE B 101 -8.569 28.106 50.911 1.00 22.32 H new ATOM 0 HB3 PHE B 101 -8.870 28.146 52.441 1.00 22.32 H new ATOM 0 HD1 PHE B 101 -6.934 26.376 50.067 1.00 19.99 H new ATOM 0 HD2 PHE B 101 -7.362 27.133 53.977 1.00 19.81 H new ATOM 0 HE1 PHE B 101 -4.989 25.199 50.503 1.00 18.28 H new ATOM 0 HE2 PHE B 101 -5.421 25.952 54.429 1.00 20.32 H new ATOM 0 HZ PHE B 101 -4.233 24.978 52.688 1.00 19.82 H new ATOM 2103 N GLU B 102 -10.541 26.182 53.786 1.00 24.80 N ATOM 2104 CA GLU B 102 -10.699 25.414 55.016 1.00 26.51 C ATOM 2105 C GLU B 102 -11.454 24.115 54.762 1.00 26.78 C ATOM 2106 O GLU B 102 -11.114 23.076 55.321 1.00 25.56 O ATOM 2107 CB GLU B 102 -11.436 26.239 56.076 1.00 29.41 C ATOM 2108 CG GLU B 102 -10.620 27.370 56.682 1.00 34.42 C ATOM 2109 CD GLU B 102 -11.417 28.182 57.685 1.00 37.41 C ATOM 2110 OE1 GLU B 102 -12.414 28.819 57.283 1.00 40.51 O ATOM 2111 OE2 GLU B 102 -11.051 28.181 58.879 1.00 40.03 O ATOM 0 H GLU B 102 -10.880 26.972 53.811 1.00 24.80 H new ATOM 0 HA GLU B 102 -9.811 25.197 55.341 1.00 26.51 H new ATOM 0 HB2 GLU B 102 -12.238 26.612 55.678 1.00 29.41 H new ATOM 0 HB3 GLU B 102 -11.723 25.646 56.788 1.00 29.41 H new ATOM 0 HG2 GLU B 102 -9.835 27.002 57.117 1.00 34.42 H new ATOM 0 HG3 GLU B 102 -10.305 27.954 55.974 1.00 34.42 H new ATOM 2112 N SER B 103 -12.479 24.181 53.919 1.00 27.44 N ATOM 2113 CA SER B 103 -13.270 23.000 53.593 1.00 28.76 C ATOM 2114 C SER B 103 -12.409 21.998 52.835 1.00 29.28 C ATOM 2115 O SER B 103 -12.507 20.790 53.055 1.00 30.58 O ATOM 2116 CB SER B 103 -14.484 23.390 52.750 1.00 30.28 C ATOM 2117 OG SER B 103 -15.353 24.236 53.484 1.00 34.86 O ATOM 0 H SER B 103 -12.733 24.902 53.524 1.00 27.44 H new ATOM 0 HA SER B 103 -13.583 22.594 54.417 1.00 28.76 H new ATOM 0 HB2 SER B 103 -14.191 23.841 51.943 1.00 30.28 H new ATOM 0 HB3 SER B 103 -14.960 22.592 52.472 1.00 30.28 H new ATOM 0 HG SER B 103 -15.019 25.005 53.535 1.00 34.86 H new ATOM 2118 N LEU B 104 -11.571 22.505 51.937 1.00 27.74 N ATOM 2119 CA LEU B 104 -10.674 21.652 51.165 1.00 26.57 C ATOM 2120 C LEU B 104 -9.711 20.989 52.144 1.00 26.06 C ATOM 2121 O LEU B 104 -9.536 19.772 52.140 1.00 26.92 O ATOM 2122 CB LEU B 104 -9.882 22.490 50.149 1.00 27.02 C ATOM 2123 CG LEU B 104 -8.821 21.805 49.272 1.00 28.45 C ATOM 2124 CD1 LEU B 104 -8.240 22.818 48.303 1.00 29.24 C ATOM 2125 CD2 LEU B 104 -7.707 21.223 50.122 1.00 30.69 C ATOM 0 H LEU B 104 -11.506 23.344 51.759 1.00 27.74 H new ATOM 0 HA LEU B 104 -11.183 20.986 50.677 1.00 26.57 H new ATOM 0 HB2 LEU B 104 -10.523 22.911 49.555 1.00 27.02 H new ATOM 0 HB3 LEU B 104 -9.440 23.201 50.639 1.00 27.02 H new ATOM 0 HG LEU B 104 -9.244 21.082 48.784 1.00 28.45 H new ATOM 0 HD11 LEU B 104 -7.570 22.388 47.748 1.00 29.24 H new ATOM 0 HD12 LEU B 104 -8.947 23.171 47.740 1.00 29.24 H new ATOM 0 HD13 LEU B 104 -7.831 23.544 48.800 1.00 29.24 H new ATOM 0 HD21 LEU B 104 -7.051 20.797 49.548 1.00 30.69 H new ATOM 0 HD22 LEU B 104 -7.281 21.933 50.628 1.00 30.69 H new ATOM 0 HD23 LEU B 104 -8.076 20.567 50.734 1.00 30.69 H new ATOM 2126 N PHE B 105 -9.083 21.810 52.979 1.00 26.21 N ATOM 2127 CA PHE B 105 -8.124 21.331 53.967 1.00 25.88 C ATOM 2128 C PHE B 105 -8.731 20.256 54.865 1.00 28.29 C ATOM 2129 O PHE B 105 -8.074 19.273 55.202 1.00 28.22 O ATOM 2130 CB PHE B 105 -7.640 22.501 54.830 1.00 23.02 C ATOM 2131 CG PHE B 105 -6.529 22.141 55.773 1.00 22.56 C ATOM 2132 CD1 PHE B 105 -5.205 22.152 55.342 1.00 22.45 C ATOM 2133 CD2 PHE B 105 -6.804 21.774 57.085 1.00 21.94 C ATOM 2134 CE1 PHE B 105 -4.170 21.804 56.205 1.00 22.90 C ATOM 2135 CE2 PHE B 105 -5.775 21.422 57.960 1.00 23.04 C ATOM 2136 CZ PHE B 105 -4.452 21.438 57.516 1.00 23.16 C ATOM 0 H PHE B 105 -9.201 22.662 52.988 1.00 26.21 H new ATOM 0 HA PHE B 105 -7.377 20.939 53.488 1.00 25.88 H new ATOM 0 HB2 PHE B 105 -7.340 23.218 54.249 1.00 23.02 H new ATOM 0 HB3 PHE B 105 -8.388 22.845 55.342 1.00 23.02 H new ATOM 0 HD1 PHE B 105 -5.010 22.395 54.466 1.00 22.45 H new ATOM 0 HD2 PHE B 105 -7.685 21.763 57.384 1.00 21.94 H new ATOM 0 HE1 PHE B 105 -3.290 21.816 55.905 1.00 22.90 H new ATOM 0 HE2 PHE B 105 -5.970 21.178 58.836 1.00 23.04 H new ATOM 0 HZ PHE B 105 -3.762 21.205 58.095 1.00 23.16 H new ATOM 2137 N ALA B 106 -9.987 20.449 55.250 1.00 30.33 N ATOM 2138 CA ALA B 106 -10.673 19.498 56.118 1.00 34.56 C ATOM 2139 C ALA B 106 -11.010 18.194 55.397 1.00 37.01 C ATOM 2140 O ALA B 106 -11.335 17.191 56.033 1.00 38.55 O ATOM 2141 CB ALA B 106 -11.943 20.129 56.679 1.00 33.43 C ATOM 0 H ALA B 106 -10.462 21.127 55.019 1.00 30.33 H new ATOM 0 HA ALA B 106 -10.068 19.278 56.843 1.00 34.56 H new ATOM 0 HB1 ALA B 106 -12.394 19.492 57.255 1.00 33.43 H new ATOM 0 HB2 ALA B 106 -11.713 20.920 57.191 1.00 33.43 H new ATOM 0 HB3 ALA B 106 -12.531 20.377 55.949 1.00 33.43 H new ATOM 2142 N GLY B 107 -10.931 18.214 54.070 1.00 38.40 N ATOM 2143 CA GLY B 107 -11.226 17.024 53.291 1.00 41.00 C ATOM 2144 C GLY B 107 -12.552 17.108 52.558 1.00 42.25 C ATOM 2145 O GLY B 107 -13.294 18.089 52.777 1.00 43.69 O ATOM 0 H GLY B 107 -10.709 18.904 53.606 1.00 38.40 H new ATOM 0 HA2 GLY B 107 -10.515 16.881 52.647 1.00 41.00 H new ATOM 0 HA3 GLY B 107 -11.236 16.253 53.879 1.00 41.00 H new TER 2146 GLY B 107 HETATM 2147 C1 DHT A 300 0.036 27.654 38.444 1.00 14.27 C HETATM 2148 C2 DHT A 300 0.832 26.400 38.837 1.00 13.95 C HETATM 2149 C3 DHT A 300 2.266 26.568 38.255 1.00 14.05 C HETATM 2150 O3 DHT A 300 2.749 25.637 37.630 1.00 14.81 O HETATM 2151 C4 DHT A 300 2.976 27.867 38.488 1.00 13.36 C HETATM 2152 C5 DHT A 300 2.118 29.076 38.023 1.00 13.31 C HETATM 2153 C6 DHT A 300 2.835 30.442 38.267 1.00 14.03 C HETATM 2154 C7 DHT A 300 1.942 31.585 37.757 1.00 12.91 C HETATM 2155 C8 DHT A 300 0.540 31.611 38.455 1.00 13.97 C HETATM 2156 C9 DHT A 300 -0.163 30.225 38.242 1.00 14.29 C HETATM 2157 C10 DHT A 300 0.699 29.019 38.765 1.00 13.00 C HETATM 2158 C11 DHT A 300 -1.576 30.284 38.914 1.00 14.37 C HETATM 2159 C12 DHT A 300 -2.488 31.428 38.477 1.00 14.72 C HETATM 2160 C13 DHT A 300 -1.792 32.807 38.546 1.00 13.25 C HETATM 2161 C14 DHT A 300 -0.372 32.714 37.882 1.00 13.94 C HETATM 2162 C15 DHT A 300 0.118 34.170 37.976 1.00 16.37 C HETATM 2163 C16 DHT A 300 -1.150 34.965 37.565 1.00 14.24 C HETATM 2164 C17 DHT A 300 -2.313 33.945 37.682 1.00 13.90 C HETATM 2165 O17 DHT A 300 -3.480 34.608 38.217 1.00 15.01 O HETATM 2166 C18 DHT A 300 -1.700 33.235 40.064 1.00 14.52 C HETATM 2167 C19 DHT A 300 0.891 29.159 40.336 1.00 14.41 C HETATM 0 H193 DHT A 300 0.027 29.109 40.774 1.00 14.41 H new HETATM 0 H192 DHT A 300 1.458 28.441 40.658 1.00 14.41 H new HETATM 0 H191 DHT A 300 1.306 30.013 40.537 1.00 14.41 H new HETATM 0 H183 DHT A 300 -2.593 33.292 40.439 1.00 14.52 H new HETATM 0 H182 DHT A 300 -1.185 32.576 40.556 1.00 14.52 H new HETATM 0 H181 DHT A 300 -1.266 34.100 40.131 1.00 14.52 H new HETATM 0 H162 DHT A 300 -1.291 35.728 38.147 1.00 14.24 H new HETATM 0 H161 DHT A 300 -1.073 35.308 36.661 1.00 14.24 H new HETATM 0 H152 DHT A 300 0.414 34.396 38.872 1.00 16.37 H new HETATM 0 H151 DHT A 300 0.863 34.341 37.379 1.00 16.37 H new HETATM 0 H122 DHT A 300 -2.789 31.267 37.569 1.00 14.72 H new HETATM 0 H121 DHT A 300 -3.278 31.440 39.040 1.00 14.72 H new HETATM 0 H112 DHT A 300 -2.032 29.447 38.737 1.00 14.37 H new HETATM 0 H111 DHT A 300 -1.454 30.342 39.874 1.00 14.37 H new HETATM 0 HO7 DHT A 300 -4.150 34.110 38.129 1.00 15.01 H new HETATM 0 H9 DHT A 300 -0.263 30.062 37.291 1.00 14.29 H new HETATM 0 H8 DHT A 300 0.683 31.794 39.397 1.00 13.97 H new HETATM 0 H72 DHT A 300 2.390 32.432 37.907 1.00 12.91 H new HETATM 0 H71 DHT A 300 1.821 31.494 36.799 1.00 12.91 H new HETATM 0 H62 DHT A 300 3.018 30.558 39.212 1.00 14.03 H new HETATM 0 H61 DHT A 300 3.690 30.457 37.809 1.00 14.03 H new HETATM 0 H5 DHT A 300 1.987 29.012 37.064 1.00 13.31 H new HETATM 0 H42 DHT A 300 3.183 27.959 39.431 1.00 13.36 H new HETATM 0 H41 DHT A 300 3.821 27.866 38.011 1.00 13.36 H new HETATM 0 H22 DHT A 300 0.863 26.302 39.802 1.00 13.95 H new HETATM 0 H21 DHT A 300 0.410 25.601 38.484 1.00 13.95 H new HETATM 0 H17 DHT A 300 -2.595 33.581 36.828 1.00 13.90 H new HETATM 0 H14 DHT A 300 -0.378 32.403 36.963 1.00 13.94 H new HETATM 0 H12 DHT A 300 -0.138 27.617 37.491 1.00 14.27 H new HETATM 0 H11 DHT A 300 -0.824 27.621 38.891 1.00 14.27 H new HETATM 2168 O HOH A 1 7.740 15.647 48.037 1.00 14.22 O HETATM 2169 O HOH A 2 0.997 20.934 36.308 1.00 16.12 O HETATM 2170 O HOH A 3 4.435 32.182 48.049 1.00 17.22 O HETATM 2171 O HOH A 4 9.072 18.102 48.467 1.00 17.00 O HETATM 2172 O HOH A 5 3.770 23.665 40.123 1.00 16.28 O HETATM 2173 O HOH A 6 5.302 13.181 61.291 1.00 22.04 O HETATM 2174 O HOH A 7 -5.091 16.909 36.172 1.00 26.20 O HETATM 2175 O HOH A 8 2.147 14.630 58.139 1.00 23.55 O HETATM 2176 O HOH A 9 16.617 10.618 54.475 1.00 26.17 O HETATM 2177 O HOH A 10 10.032 6.473 48.541 1.00 19.49 O HETATM 2178 O HOH A 11 21.264 12.090 45.243 1.00 20.78 O HETATM 2179 O HOH A 12 -6.071 46.039 39.240 1.00 21.95 O HETATM 2180 O HOH A 13 4.856 20.284 46.340 1.00 26.34 O HETATM 2181 O HOH A 14 -12.355 25.730 24.042 1.00 27.69 O HETATM 2182 O HOH A 15 -9.022 28.933 29.078 1.00 22.88 O HETATM 2183 O HOH A 16 9.786 41.122 43.966 1.00 25.59 O HETATM 2184 O HOH A 17 13.928 30.422 54.217 1.00 25.56 O HETATM 2185 O HOH A 18 2.785 47.291 50.353 1.00 23.36 O HETATM 2186 O HOH A 19 19.265 34.831 45.988 1.00 22.40 O HETATM 2187 O HOH A 20 6.671 39.608 49.673 1.00 25.81 O HETATM 2188 O HOH A 21 -8.800 27.059 26.985 1.00 19.70 O HETATM 2189 O HOH A 22 16.208 10.192 57.341 1.00 27.61 O HETATM 2190 O HOH A 23 0.609 23.762 25.730 1.00 18.65 O HETATM 2191 O HOH A 24 2.740 10.842 55.369 1.00 19.01 O HETATM 2192 O HOH A 25 26.037 19.591 55.245 1.00 26.03 O HETATM 2193 O HOH A 26 21.662 14.850 46.688 1.00 27.19 O HETATM 2194 O HOH A 27 -2.011 31.165 62.053 1.00 28.72 O HETATM 2195 O HOH A 28 1.220 39.928 60.879 1.00 23.32 O HETATM 2196 O HOH A 29 2.204 25.810 64.929 1.00 22.58 O HETATM 2197 O HOH A 30 20.513 24.684 32.635 1.00 22.73 O HETATM 2198 O HOH A 31 10.174 30.199 23.131 1.00 26.94 O HETATM 2199 O HOH A 32 15.382 34.006 38.493 1.00 25.24 O HETATM 2200 O HOH A 33 -2.067 31.533 18.652 1.00 32.60 O HETATM 2201 O HOH A 34 -7.862 38.197 25.851 1.00 23.73 O HETATM 2202 O HOH A 35 17.095 10.106 41.669 1.00 22.25 O HETATM 2203 O HOH A 36 -6.003 20.226 27.744 1.00 21.70 O HETATM 2204 O HOH A 37 12.821 30.762 50.027 1.00 20.17 O HETATM 2205 O HOH A 38 -2.601 47.616 42.538 1.00 32.72 O HETATM 2206 O HOH A 39 7.724 35.977 48.318 1.00 24.21 O HETATM 2207 O HOH A 40 2.621 18.144 39.478 1.00 25.13 O HETATM 2208 O HOH A 41 -1.138 13.939 45.036 1.00 49.77 O HETATM 2209 O HOH A 42 -4.569 20.233 25.337 1.00 22.48 O HETATM 2210 O HOH A 43 16.579 32.102 40.322 1.00 26.94 O HETATM 2211 O HOH A 44 7.620 30.275 50.797 1.00 26.93 O HETATM 2212 O HOH A 45 -2.278 42.069 36.370 1.00 25.59 O HETATM 2213 O HOH A 46 -11.057 22.408 30.661 1.00 31.77 O HETATM 2214 O HOH A 47 14.157 32.509 51.324 1.00 24.32 O HETATM 2215 O HOH A 48 2.332 18.509 36.676 1.00 22.51 O HETATM 2216 O HOH A 49 17.762 14.237 54.843 1.00 29.36 O HETATM 2217 O HOH A 50 5.602 29.335 55.687 1.00 29.19 O HETATM 2218 O HOH A 51 17.820 38.928 56.461 1.00 35.58 O HETATM 2219 O HOH A 52 -1.689 40.026 25.660 1.00 28.91 O HETATM 2220 O HOH A 53 1.272 32.119 47.944 1.00 19.29 O HETATM 2221 O HOH A 54 14.797 35.611 41.204 1.00 31.61 O HETATM 2222 O HOH A 55 24.795 17.859 45.066 1.00 26.12 O HETATM 2223 O HOH A 56 -5.483 29.856 59.646 1.00 29.78 O HETATM 2224 O HOH A 57 19.753 35.872 48.539 1.00 28.98 O HETATM 2225 O HOH A 58 -7.705 28.239 24.598 1.00 22.31 O HETATM 2226 O HOH A 59 4.195 41.972 38.852 1.00 27.56 O HETATM 2227 O HOH A 60 13.583 28.900 51.876 1.00 24.98 O HETATM 2228 O HOH A 61 5.847 40.465 52.349 1.00 21.93 O HETATM 2229 O HOH A 62 -15.037 27.917 41.248 1.00 29.83 O HETATM 2230 O HOH A 63 14.159 37.532 56.146 1.00 26.22 O HETATM 2231 O HOH A 64 2.964 31.586 69.084 1.00 32.62 O HETATM 2232 O HOH A 65 -13.249 27.123 43.555 1.00 26.56 O HETATM 2233 O HOH A 66 7.731 39.566 64.136 1.00 30.60 O HETATM 2234 O HOH A 67 23.103 19.677 34.965 1.00 35.21 O HETATM 2235 O HOH A 68 -7.656 38.652 55.673 1.00 28.83 O HETATM 2236 O HOH A 69 14.156 10.511 45.390 1.00 30.14 O HETATM 2237 O HOH A 70 30.610 19.464 37.438 1.00 28.91 O HETATM 2238 O HOH A 71 -2.438 27.671 20.036 1.00 43.92 O HETATM 2239 O HOH A 73 4.500 41.440 29.818 1.00 28.21 O HETATM 2240 O HOH A 74 27.597 27.836 53.697 1.00 36.92 O HETATM 2241 O HOH A 75 7.441 20.944 65.502 1.00 30.44 O HETATM 2242 O HOH A 76 25.153 18.402 42.435 1.00 23.33 O HETATM 2243 O HOH A 77 -3.913 43.515 31.889 1.00 37.33 O HETATM 2244 O HOH A 78 -6.663 18.579 41.398 1.00 30.48 O HETATM 2245 O HOH A 79 23.763 38.623 53.211 1.00 31.89 O HETATM 2246 O HOH A 80 6.615 42.074 31.331 1.00 30.25 O HETATM 2247 O HOH A 81 22.812 16.659 39.375 1.00 28.11 O HETATM 2248 O HOH A 82 1.491 29.366 20.760 1.00 34.79 O HETATM 2249 O HOH A 83 -8.900 40.124 27.698 1.00 31.69 O HETATM 2250 O HOH A 84 9.997 36.711 57.905 1.00 34.17 O HETATM 2251 O HOH A 85 -8.055 18.393 32.082 1.00 30.57 O HETATM 2252 O HOH A 86 29.141 18.886 40.700 1.00 36.52 O HETATM 2253 O HOH A 87 3.592 18.007 26.801 1.00 35.03 O HETATM 2254 O HOH A 88 6.990 31.777 48.457 1.00 24.31 O HETATM 2255 O HOH A 89 9.609 39.769 49.434 1.00 38.63 O HETATM 2256 O HOH A 90 0.997 11.168 37.375 1.00 36.88 O HETATM 2257 O HOH A 91 2.779 43.704 30.833 1.00 40.35 O HETATM 2258 O HOH A 92 -4.269 22.121 66.318 1.00 37.18 O HETATM 2259 O HOH A 93 25.148 36.207 52.737 1.00 34.48 O HETATM 2260 O HOH A 94 -0.218 44.202 37.188 1.00 44.59 O HETATM 2261 O HOH A 95 19.966 19.148 37.842 1.00 26.93 O HETATM 2262 O HOH A 96 25.260 22.172 54.940 1.00 31.76 O HETATM 2263 O HOH A 97 -6.638 18.319 29.545 1.00 29.29 O HETATM 2264 O HOH A 98 23.697 17.254 48.119 1.00 36.19 O HETATM 2265 O HOH A 99 17.256 18.693 31.335 1.00 32.91 O HETATM 2266 O HOH A 100 5.663 11.719 41.907 1.00 36.06 O HETATM 2267 O HOH A 101 6.256 18.933 39.683 1.00 35.83 O HETATM 2268 O HOH A 102 -11.258 24.075 20.192 1.00 34.73 O HETATM 2269 O HOH A 103 -4.253 28.369 22.995 1.00 29.63 O HETATM 2270 O HOH A 104 4.384 15.729 32.493 1.00 31.64 O HETATM 2271 O HOH A 105 11.498 29.354 68.800 1.00 28.23 O HETATM 2272 O HOH A 106 -10.291 29.691 35.521 1.00 24.41 O HETATM 2273 O HOH A 107 7.861 14.940 64.804 1.00 36.16 O HETATM 2274 O HOH A 108 -13.799 35.075 37.945 1.00 29.38 O HETATM 2275 O HOH A 109 1.143 21.113 25.295 1.00 27.85 O HETATM 2276 O HOH A 110 0.765 41.108 24.986 1.00 38.80 O HETATM 2277 O HOH A 111 -8.151 25.397 31.676 1.00 28.67 O HETATM 2278 O HOH A 112 18.441 24.589 31.058 1.00 33.01 O HETATM 2279 O HOH A 113 27.055 22.698 35.570 1.00 32.61 O HETATM 2280 O HOH A 114 3.720 41.359 27.184 1.00 31.25 O HETATM 2281 O HOH A 115 15.124 14.603 32.642 1.00 36.81 O HETATM 2282 O HOH A 116 -0.702 12.517 42.467 1.00 32.18 O HETATM 2283 O HOH A 117 10.839 29.867 71.566 1.00 39.02 O HETATM 2284 O HOH A 118 8.285 17.341 38.809 1.00 30.74 O HETATM 2285 O HOH A 119 4.011 44.507 59.293 1.00 42.53 O HETATM 2286 O HOH A 120 4.102 17.202 34.818 1.00 30.17 O HETATM 2287 O HOH A 121 2.783 22.020 42.715 1.00 34.45 O HETATM 2288 O HOH A 122 8.618 15.621 40.989 1.00 35.10 O HETATM 2289 O HOH A 123 9.904 16.424 36.782 1.00 35.36 O HETATM 2290 O HOH A 124 12.689 14.520 42.679 1.00 29.14 O HETATM 2291 O HOH A 125 14.557 10.530 41.214 1.00 33.69 O HETATM 2292 O HOH A 126 16.401 7.247 41.888 1.00 30.96 O HETATM 2293 O HOH A 127 -2.154 16.791 29.251 1.00 28.78 O HETATM 2294 O HOH A 128 -5.752 14.983 32.204 1.00 35.23 O HETATM 2295 O HOH A 129 -5.981 30.401 24.127 1.00 35.19 O HETATM 2296 O HOH A 130 1.096 12.058 57.265 1.00 23.45 O HETATM 2297 O HOH A 131 -1.035 33.486 60.459 1.00 37.62 O HETATM 2298 O HOH A 132 -3.849 32.149 60.512 1.00 41.49 O HETATM 2299 O HOH A 133 -7.313 30.202 57.256 1.00 41.08 O HETATM 2300 O HOH A 134 22.598 23.244 32.030 1.00 35.68 O HETATM 2301 O HOH A 135 -9.841 27.702 31.234 1.00 37.43 O HETATM 2302 O HOH A 136 -2.259 18.951 24.972 1.00 34.60 O HETATM 2303 O HOH A 137 -2.313 34.270 19.010 1.00 36.50 O HETATM 2304 O HOH A 138 -10.647 22.630 39.812 1.00 38.93 O HETATM 2305 O HOH A 139 -12.674 25.448 38.808 1.00 33.27 O HETATM 2306 O HOH A 140 -10.425 19.792 32.037 1.00 38.82 O HETATM 2307 O HOH A 141 -7.108 16.547 34.272 1.00 34.68 O HETATM 2308 O HOH A 142 -2.548 15.530 58.363 1.00 39.86 O HETATM 2309 O HOH A 143 -3.675 13.840 55.727 1.00 35.35 O HETATM 2310 O HOH A 144 4.507 22.562 44.584 1.00 34.18 O HETATM 2311 O HOH A 145 16.087 28.582 27.953 1.00 41.31 O HETATM 2312 O HOH A 146 -1.248 17.175 26.841 1.00 29.24 O HETATM 2313 O HOH A 147 1.533 16.258 26.413 1.00 40.55 O HETATM 2314 O HOH A 148 14.312 38.200 27.919 1.00 32.57 O HETATM 2315 O HOH A 149 19.115 23.429 61.624 1.00 41.80 O HETATM 2316 O HOH A 150 11.805 41.630 42.358 1.00 41.54 O HETATM 2317 O HOH A 151 10.696 41.107 46.697 1.00 28.94 O HETATM 2318 O HOH A 152 24.416 29.309 38.829 1.00 42.57 O HETATM 2319 O HOH A 153 20.809 34.579 43.615 1.00 38.81 O HETATM 2320 O HOH A 154 22.625 29.804 43.733 1.00 29.70 O HETATM 2321 O HOH A 155 27.275 20.188 42.287 1.00 30.30 O HETATM 2322 O HOH A 156 6.513 35.203 63.188 1.00 28.42 O HETATM 2323 O HOH A 157 5.226 30.026 70.452 1.00 38.58 O HETATM 2324 O HOH A 158 15.966 16.569 61.114 1.00 34.33 O HETATM 2325 O HOH A 159 21.503 11.460 52.978 1.00 38.86 O HETATM 2326 O HOH A 160 19.062 11.969 54.401 1.00 36.86 O HETATM 2327 O HOH A 161 5.512 37.488 48.172 1.00 24.09 O HETATM 2328 O HOH A 163 -6.812 18.425 48.985 1.00 32.65 O HETATM 2329 O HOH A 164 9.709 41.012 52.374 1.00 40.52 O HETATM 2330 O HOH A 165 -8.234 36.618 57.464 1.00 36.66 O HETATM 2331 O HOH A 166 7.617 44.972 45.873 1.00 43.84 O HETATM 2332 O HOH A 167 7.674 43.040 43.762 1.00 42.60 O HETATM 2333 O HOH A 168 14.441 2.343 52.749 1.00 31.52 O HETATM 2334 O HOH A 169 -6.960 39.902 58.489 1.00 37.59 O HETATM 2335 O HOH A 170 12.549 11.879 43.177 1.00 37.95 O HETATM 2336 O HOH A 171 0.503 13.593 46.992 1.00 24.10 O HETATM 2337 O HOH A 173 7.894 37.942 59.002 1.00 36.38 O HETATM 2338 O HOH A 174 17.042 36.559 45.889 1.00 33.26 O HETATM 2339 O HOH A 175 16.883 38.420 47.664 1.00 41.64 O HETATM 2340 O HOH A 176 27.517 23.214 41.448 1.00 38.07 O HETATM 2341 O HOH A 177 12.610 29.296 24.113 1.00 38.60 O HETATM 2342 O HOH A 178 4.254 19.607 43.594 1.00 34.86 O HETATM 2343 O HOH A 179 -11.829 27.744 35.976 1.00 41.41 O HETATM 2344 O HOH A 180 4.043 26.777 23.696 1.00 43.06 O HETATM 2345 O HOH A 181 -6.177 24.407 15.755 1.00 39.86 O HETATM 2346 O HOH A 182 11.064 39.473 54.399 1.00 31.66 O HETATM 2347 O HOH A 183 -12.384 22.370 35.443 1.00 35.99 O HETATM 2348 O HOH A 184 2.412 26.911 21.454 1.00 35.60 O HETATM 2349 O HOH A 185 -5.387 38.581 23.713 1.00 35.73 O HETATM 2350 O HOH A 186 -13.671 29.117 36.892 1.00 43.97 O HETATM 2351 O HOH A 187 -4.801 32.108 57.854 1.00 43.33 O HETATM 2352 O HOH A 188 9.589 18.965 64.555 1.00 36.37 O HETATM 2353 O HOH A 189 28.451 20.393 44.541 1.00 33.61 O HETATM 2354 O HOH A 190 -7.164 25.452 13.709 1.00 46.48 O HETATM 2355 O HOH A 191 13.843 10.407 48.035 1.00 40.37 O HETATM 2356 O HOH A 192 -9.207 17.038 48.092 1.00 41.34 O HETATM 2357 O HOH A 193 -3.231 13.071 45.988 1.00 42.83 O HETATM 2358 O HOH A 194 8.210 16.884 27.500 1.00 47.86 O HETATM 2359 O HOH A 195 24.735 12.611 55.568 1.00 39.41 O HETATM 2360 O HOH A 196 27.227 24.368 55.895 1.00 43.47 O HETATM 2361 O HOH A 197 -7.564 42.708 27.827 1.00 39.87 O HETATM 2362 O HOH A 198 7.560 42.464 52.837 1.00 40.98 O HETATM 2363 O HOH A 199 10.764 29.777 25.848 1.00 35.54 O HETATM 2364 O HOH A 200 4.192 20.073 68.278 1.00 43.96 O HETATM 2365 O HOH A 202 9.093 38.977 61.427 1.00 36.98 O HETATM 2366 O HOH A 203 0.794 42.745 61.520 1.00 41.46 O HETATM 2367 O HOH B 72 -13.554 23.876 49.151 1.00 36.24 O HETATM 2368 O HOH B 162 -7.284 17.530 51.613 1.00 40.11 O HETATM 2369 O HOH B 172 -8.764 31.679 51.832 1.00 36.51 O HETATM 2370 O HOH B 201 -15.553 26.111 56.007 1.00 47.09 O CONECT 2147 2148 2157 CONECT 2148 2147 2149 CONECT 2149 2148 2150 2151 CONECT 2150 2149 CONECT 2151 2149 2152 CONECT 2152 2151 2153 2157 CONECT 2153 2152 2154 CONECT 2154 2153 2155 CONECT 2155 2154 2156 2161 CONECT 2156 2155 2157 2158 CONECT 2157 2147 2152 2156 2167 CONECT 2158 2156 2159 CONECT 2159 2158 2160 CONECT 2160 2159 2161 2164 2166 CONECT 2161 2155 2160 2162 CONECT 2162 2161 2163 CONECT 2163 2162 2164 CONECT 2164 2160 2163 2165 CONECT 2165 2164 CONECT 2166 2160 CONECT 2167 2157 END