USER MOD reduce.3.24.130724 H: found=0, std=0, add=2195, rem=0, adj=59 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HORMONE/GROWTH FACTOR RECEPTOR 10-MAY-04 1T7F TITLE CRYSTAL STRUCTURE OF THE ANDROGEN RECEPTOR LIGAND BINDING TITLE 2 DOMAIN IN COMPLEX WITH A LXXLL 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: LXXLL 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 1T7F 1 VERSN REVDAT 2 22-SEP-04 1T7F 1 JRNL REVDAT 1 31-AUG-04 1T7F 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. 1.60 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) : 1.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1081362.710 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 97.2 REMARK 3 NUMBER OF REFLECTIONS : 32737 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) : 0.199 REMARK 3 FREE R VALUE : 0.218 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1630 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.005 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) : 1.60 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.70 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 91.80 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 4821 REMARK 3 BIN R VALUE (WORKING SET) : 0.2670 REMARK 3 BIN FREE R VALUE : 0.2900 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.00 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 256 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 : 2119 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 21 REMARK 3 SOLVENT ATOMS : 162 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 23.40 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 25.10 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 9.00000 REMARK 3 B22 (A**2) : -5.39000 REMARK 3 B33 (A**2) : -3.61000 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) : 0.19 REMARK 3 ESD FROM SIGMAA (A) : 0.17 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) : 0.21 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.20 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.006 REMARK 3 BOND ANGLES (DEGREES) : 1.10 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 18.59 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.81 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) : 1.190 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.810 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.140 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.180 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.41 REMARK 3 BSOL : 52.98 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 1T7F 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 RCSB022406. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 14-MAY-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) : 1.12713 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 : 32805 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 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 (%) : 97.7 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.04500 REMARK 200 FOR THE DATA SET : 31.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.63 REMARK 200 COMPLETENESS FOR SHELL (%) : 93.6 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.46300 REMARK 200 FOR SHELL : 2.700 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 (%): 34.00 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 27.11250 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 34.70350 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 33.16350 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 34.70350 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 27.11250 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 33.16350 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: 1640 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 12230 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -14.0 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 SER B 96 REMARK 465 SER B 97 REMARK 465 ARG B 98 REMARK 465 LYS B 107 REMARK 465 ASP B 108 REMARK 465 SER B 109 REMARK 465 ARG B 110 REMARK 465 SER B 111 REMARK 465 GLY B 112 REMARK 465 SER B 113 REMARK 465 GLY B 114 REMARK 465 LYS B 115 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 76.32 -152.45 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 200 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1T73 RELATED DB: PDB REMARK 900 RELATED ID: 1T74 RELATED DB: PDB REMARK 900 RELATED ID: 1T76 RELATED DB: PDB REMARK 900 RELATED ID: 1T79 RELATED DB: PDB REMARK 900 RELATED ID: 1T7M RELATED DB: PDB REMARK 900 RELATED ID: 1T7R RELATED DB: PDB REMARK 900 RELATED ID: 1T7T RELATED DB: PDB DBREF 1T7F A 662 919 UNP O97775 ANDR_PANTR 654 911 DBREF 1T7F B 96 115 PDB 1T7F 1T7F 96 115 SEQADV 1T7F GLY A 651 UNP O97775 CLONING ARTIFACT SEQADV 1T7F SER A 652 UNP O97775 CLONING ARTIFACT SEQADV 1T7F PRO A 653 UNP O97775 CLONING ARTIFACT SEQADV 1T7F GLY A 654 UNP O97775 CLONING ARTIFACT SEQADV 1T7F ILE A 655 UNP O97775 CLONING ARTIFACT SEQADV 1T7F SER A 656 UNP O97775 CLONING ARTIFACT SEQADV 1T7F GLY A 657 UNP O97775 CLONING ARTIFACT SEQADV 1T7F GLY A 658 UNP O97775 CLONING ARTIFACT SEQADV 1T7F GLY A 659 UNP O97775 CLONING ARTIFACT SEQADV 1T7F GLY A 660 UNP O97775 CLONING ARTIFACT SEQADV 1T7F 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 20 SER SER ARG GLY LEU LEU TRP ASP LEU LEU THR LYS ASP SEQRES 2 B 20 SER ARG SER GLY SER GLY LYS HET DHT A 200 21 HETNAM DHT 5-ALPHA-DIHYDROTESTOSTERONE FORMUL 3 DHT C19 H30 O2 FORMUL 4 HOH *162(H2 O) HELIX 1 1 PRO A 671 GLU A 681 1 11 HELIX 2 2 SER A 696 ALA A 721 1 26 HELIX 3 3 GLY A 724 LEU A 728 5 5 HELIX 4 4 HIS A 729 ASN A 758 1 30 HELIX 5 5 ASN A 771 SER A 778 1 8 HELIX 6 6 MET A 780 LEU A 797 1 18 HELIX 7 7 THR A 800 LEU A 812 1 13 HELIX 8 8 ASN A 823 CYS A 844 1 22 HELIX 9 9 ASN A 848 LYS A 883 1 36 HELIX 10 10 SER A 884 VAL A 887 5 4 HELIX 11 11 PRO A 892 GLN A 902 1 11 HELIX 12 12 GLN A 902 SER A 908 1 7 HELIX 13 13 GLY B 99 THR B 106 1 8 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 8 LEU A 704 ASN A 705 GLN A 711 MET A 749 SITE *** AC1 8 ARG A 752 PHE A 764 THR A 877 MET A 895 CRYST1 54.225 66.327 69.407 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 0.018442 0.000000 0.000000 0.00000 SCALE2 0.000000 0.015077 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014408 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 860 THR OG1 : rot 106:sc= 1.01 USER MOD Set 1.2: A 917 HIS : no HE2:sc= 0.843 K(o=1.8,f=-2.3!) USER MOD Set 2.1: A 885 HIS : no HD1:sc= 0.222 K(o=-0.019,f=-3.3!) USER MOD Set 2.2: A 886 MET CE :methyl -123:sc= -0.241 (180deg=-0.41) USER MOD Set 3.1: A 782 SER OG : rot -16:sc= 0.593 USER MOD Set 3.2: A 783 GLN : amide:sc= 1.56 K(o=2.2,f=-7.8!) USER MOD Set 4.1: A 780 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 784 CYS SG : rot 80:sc= 0.0401 USER MOD Set 5.1: A 759 SER OG : rot -49:sc= 1.33 USER MOD Set 5.2: A 791 SER OG : rot 63:sc= 1.05 USER MOD Set 6.1: A 739 TYR OH : rot 48:sc= 0.00532 USER MOD Set 6.2: A 902 GLN : amide:sc= -0.498 X(o=-0.49,f=-0.16) USER MOD Set 7.1: A 689 HIS : no HE2:sc= 2.26 K(o=6.8,f=-3.9!) USER MOD Set 7.2: A 691 ASN : amide:sc= 2.82 K(o=6.8,f=-0.39!) USER MOD Set 7.3: A 703 SER OG : rot -54:sc= 1.73 USER MOD Set 8.1: A 670 GLN : amide:sc= -0.0295 K(o=-0.075,f=-1.4) USER MOD Set 8.2: A 675 ASN : amide:sc= -0.0458 K(o=-0.075,f=-1.4) USER MOD Set 9.1: A 200 DHT O17 : rot -75:sc= 1.9 USER MOD Set 9.2: A 705 ASN : amide:sc= 1.3 K(o=3.7,f=0.46!) USER MOD Set 9.3: A 877 THR OG1 : rot 87:sc= 0.544 USER MOD Single : A 669 CYS SG : rot 180:sc= 0 USER MOD Single : A 686 CYS SG : rot 180:sc= 0 USER MOD Single : A 692 ASN : amide:sc= 1.05 X(o=1,f=1.1) USER MOD Single : A 693 GLN : amide:sc= -0.0373 X(o=-0.037,f=-0.32) USER MOD Single : A 696 SER OG : rot 180:sc= 0.0609 USER MOD Single : A 702 SER OG : rot 83:sc= 0.702 USER MOD Single : A 711 GLN A: amide:sc= -0.597! K(o=-0.6!,f=0.41) USER MOD Single : A 711 GLN B: amide:sc= -1.39! K(o=-1.4!,f=-0.69) USER MOD Single : A 714 HIS : no HE2:sc= 0.219 X(o=0.22,f=0.19) USER MOD Single : A 717 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 LYS NZ :NH3+ -159:sc= 0.0254 (180deg=0) USER MOD Single : A 727 ASN : amide:sc= -0.0102 K(o=-0.01,f=-0.6) USER MOD Single : A 729 HIS : no HD1:sc= 0.252 K(o=0.25,f=-8.8!) USER MOD Single : A 733 GLN : amide:sc= 0.334 K(o=0.33,f=-0.48) USER MOD Single : A 734 MET CE :methyl 157:sc= -2.94! (180deg=-4.45!) USER MOD Single : A 738 GLN : amide:sc= -1.11! K(o=-1.1!,f=0.4) USER MOD Single : A 740 SER OG : rot -85:sc= 0.199 USER MOD Single : A 742 MET CE :methyl -145:sc= -0.076 (180deg=-0.175) USER MOD Single : A 745 MET CE :methyl 172:sc= -0.0695 (180deg=-0.0932) USER MOD Single : A 749 MET CE :methyl -141:sc= -0.198 (180deg=-1.66) USER MOD Single : A 753 SER OG : rot 74:sc= 1.36 USER MOD Single : A 755 THR OG1 : rot -65:sc= 1.02 USER MOD Single : A 756 ASN : amide:sc= 0.0106 X(o=0.011,f=-0.28) USER MOD Single : A 758 ASN : amide:sc= -0.587 X(o=-0.59,f=-0.87) USER MOD Single : A 761 MET CE :methyl 173:sc= 0 (180deg=-0.0077) USER MOD Single : A 763 TYR OH : rot 180:sc= 0.919 USER MOD Single : A 771 ASN : amide:sc= 0.0806 K(o=0.081,f=-5.5!) USER MOD Single : A 773 TYR OH : rot 180:sc= 0 USER MOD Single : A 775 MET CE :methyl -165:sc= 0 (180deg=-0.175) USER MOD Single : A 776 HIS : no HD1:sc= -0.0556 X(o=-0.056,f=0) USER MOD Single : A 777 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 778 SER OG : rot -57:sc= 0.93 USER MOD Single : A 781 TYR OH : rot -176:sc= 2.05 USER MOD Single : A 787 MET CE :methyl -156:sc= -0.0127 (180deg=-0.696) USER MOD Single : A 789 HIS : no HD1:sc= -0.0359 X(o=-0.036,f=-0.44) USER MOD Single : A 792 GLN : amide:sc= 0.0493 K(o=0.049,f=-1.2) USER MOD Single : A 798 GLN : amide:sc= -0.593 K(o=-0.59,f=2.2) USER MOD Single : A 800 THR OG1 : rot 179:sc= 1.06 USER MOD Single : A 802 GLN : amide:sc= -0.962 K(o=-0.96,f=-1.5) USER MOD Single : A 806 CYS SG A: rot 160:sc= 0 USER MOD Single : A 806 CYS SG B: rot 180:sc= -0.638 USER MOD Single : A 807 MET CE :methyl 150:sc= -0.404 (180deg=-1.28) USER MOD Single : A 808 LYS NZ :NH3+ 158:sc= 2.19 (180deg=1.62) USER MOD Single : A 814 SER OG : rot 68:sc= 1.75 USER MOD Single : A 822 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 823 ASN : amide:sc= -2.33 K(o=-2.3,f=-4.6) USER MOD Single : A 824 GLN : amide:sc= 0.447 K(o=0.45,f=-1.5) USER MOD Single : A 825 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 832 MET CE :methyl -122:sc= 0 (180deg=-0.0566) USER MOD Single : A 833 ASN : amide:sc= -0.0319 X(o=-0.032,f=-0.093) USER MOD Single : A 834 TYR OH : rot -6:sc= 0.814 USER MOD Single : A 836 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 844 CYS SG : rot 180:sc= 0 USER MOD Single : A 845 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 847 LYS NZ :NH3+ -161:sc= -0.0851 (180deg=-0.342) USER MOD Single : A 848 ASN : amide:sc= -2.4! C(o=-2.4!,f=-13!) USER MOD Single : A 850 THR OG1 : rot 180:sc= 0 USER MOD Single : A 851 SER OG : rot -35:sc= 1.29 USER MOD Single : A 852 CYS SG : rot 72:sc= 0.0669 USER MOD Single : A 853 SER OG : rot 71:sc= 0.359 USER MOD Single : A 857 TYR OH : rot 180:sc= -0.0106 USER MOD Single : A 858 GLN : amide:sc= 1.46 K(o=1.5,f=-4.1!) USER MOD Single : A 861 LYS NZ :NH3+ 157:sc= 0.123 (180deg=0.0325) USER MOD Single : A 865 SER OG : rot -65:sc= 2.37 USER MOD Single : A 867 GLN : amide:sc= 1.87 K(o=1.9,f=0.22) USER MOD Single : A 874 HIS : no HD1:sc= 2.07 K(o=2.1,f=-3.7!) USER MOD Single : A 875 GLN : amide:sc= 0.6 X(o=0.6,f=0.24) USER MOD Single : A 883 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 884 SER OG : rot -86:sc= 0.247 USER MOD Single : A 888 SER OG : rot 180:sc= 0 USER MOD Single : A 894 MET CE :methyl -168:sc= -0.0183 (180deg=-0.185) USER MOD Single : A 895 MET CE :methyl -178:sc= -0.129 (180deg=-0.131) USER MOD Single : A 900 SER OG : rot -86:sc= 0.629 USER MOD Single : A 905 LYS NZ :NH3+ -137:sc= 0.43 (180deg=0.375) USER MOD Single : A 908 SER OG : rot -81:sc= 0.496 USER MOD Single : A 910 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 912 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 915 TYR OH : rot 180:sc= 0 USER MOD Single : A 918 THR OG1 : rot 180:sc= 0 USER MOD Single : B 106 THR OG1 : rot -74:sc= 0.58 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 669 -21.351 31.645 56.181 1.00 50.12 N ATOM 2 CA CYS A 669 -20.441 30.689 56.874 1.00 50.17 C ATOM 3 C CYS A 669 -19.545 29.965 55.870 1.00 47.72 C ATOM 4 O CYS A 669 -20.025 29.210 55.027 1.00 48.31 O ATOM 5 CB CYS A 669 -21.260 29.667 57.666 1.00 51.70 C ATOM 6 SG CYS A 669 -20.271 28.450 58.559 1.00 57.32 S ATOM 0 HA CYS A 669 -19.878 31.193 57.483 1.00 50.17 H new ATOM 0 HB2 CYS A 669 -21.821 30.140 58.300 1.00 51.70 H new ATOM 0 HB3 CYS A 669 -21.853 29.201 57.056 1.00 51.70 H new ATOM 0 HG CYS A 669 -20.997 27.698 59.148 1.00 57.32 H new ATOM 7 N GLN A 670 -18.242 30.203 55.969 1.00 45.77 N ATOM 8 CA GLN A 670 -17.274 29.581 55.074 1.00 43.16 C ATOM 9 C GLN A 670 -17.058 28.101 55.386 1.00 39.03 C ATOM 10 O GLN A 670 -16.939 27.710 56.548 1.00 38.17 O ATOM 11 CB GLN A 670 -15.934 30.319 55.163 1.00 46.04 C ATOM 12 CG GLN A 670 -15.912 31.667 54.463 1.00 49.32 C ATOM 13 CD GLN A 670 -15.905 31.531 52.952 1.00 50.72 C ATOM 14 OE1 GLN A 670 -14.973 30.967 52.376 1.00 52.41 O ATOM 15 NE2 GLN A 670 -16.943 32.043 52.304 1.00 50.97 N ATOM 0 H GLN A 670 -17.895 30.728 56.555 1.00 45.77 H new ATOM 0 HA GLN A 670 -17.635 29.643 54.176 1.00 43.16 H new ATOM 0 HB2 GLN A 670 -15.710 30.449 56.098 1.00 46.04 H new ATOM 0 HB3 GLN A 670 -15.242 29.757 54.781 1.00 46.04 H new ATOM 0 HG2 GLN A 670 -16.687 32.183 54.736 1.00 49.32 H new ATOM 0 HG3 GLN A 670 -15.127 32.163 54.745 1.00 49.32 H new ATOM 0 HE21 GLN A 670 -17.575 32.429 52.741 1.00 50.97 H new ATOM 0 HE22 GLN A 670 -16.984 31.988 51.447 1.00 50.97 H new ATOM 16 N PRO A 671 -17.022 27.255 54.345 1.00 35.58 N ATOM 17 CA PRO A 671 -16.810 25.821 54.549 1.00 32.38 C ATOM 18 C PRO A 671 -15.318 25.562 54.755 1.00 29.86 C ATOM 19 O PRO A 671 -14.604 25.205 53.821 1.00 28.29 O ATOM 20 CB PRO A 671 -17.345 25.214 53.256 1.00 33.13 C ATOM 21 CG PRO A 671 -16.967 26.240 52.246 1.00 34.65 C ATOM 22 CD PRO A 671 -17.323 27.545 52.931 1.00 34.48 C ATOM 0 HA PRO A 671 -17.249 25.444 55.328 1.00 32.38 H new ATOM 0 HB2 PRO A 671 -16.941 24.353 53.066 1.00 33.13 H new ATOM 0 HB3 PRO A 671 -18.305 25.076 53.291 1.00 33.13 H new ATOM 0 HG2 PRO A 671 -16.023 26.196 52.026 1.00 34.65 H new ATOM 0 HG3 PRO A 671 -17.457 26.125 51.417 1.00 34.65 H new ATOM 0 HD2 PRO A 671 -16.795 28.286 52.594 1.00 34.48 H new ATOM 0 HD3 PRO A 671 -18.255 27.779 52.801 1.00 34.48 H new ATOM 23 N ILE A 672 -14.860 25.761 55.986 1.00 27.05 N ATOM 24 CA ILE A 672 -13.454 25.578 56.343 1.00 24.91 C ATOM 25 C ILE A 672 -12.843 24.266 55.855 1.00 22.08 C ATOM 26 O ILE A 672 -11.832 24.277 55.154 1.00 21.11 O ATOM 27 CB ILE A 672 -13.260 25.666 57.873 1.00 25.01 C ATOM 28 CG1 ILE A 672 -13.744 27.025 58.384 1.00 27.40 C ATOM 29 CG2 ILE A 672 -11.790 25.462 58.229 1.00 25.95 C ATOM 30 CD1 ILE A 672 -12.984 28.202 57.815 1.00 27.30 C ATOM 0 H ILE A 672 -15.358 26.007 56.643 1.00 27.05 H new ATOM 0 HA ILE A 672 -12.990 26.299 55.889 1.00 24.91 H new ATOM 0 HB ILE A 672 -13.782 24.967 58.297 1.00 25.01 H new ATOM 0 HG12 ILE A 672 -14.685 27.125 58.169 1.00 27.40 H new ATOM 0 HG13 ILE A 672 -13.671 27.041 59.351 1.00 27.40 H new ATOM 0 HG21 ILE A 672 -11.679 25.519 59.191 1.00 25.95 H new ATOM 0 HG22 ILE A 672 -11.501 24.589 57.922 1.00 25.95 H new ATOM 0 HG23 ILE A 672 -11.255 26.149 57.801 1.00 25.95 H new ATOM 0 HD11 ILE A 672 -13.342 29.026 58.180 1.00 27.30 H new ATOM 0 HD12 ILE A 672 -12.046 28.126 58.050 1.00 27.30 H new ATOM 0 HD13 ILE A 672 -13.076 28.210 56.849 1.00 27.30 H new ATOM 31 N PHE A 673 -13.445 23.144 56.237 1.00 21.93 N ATOM 32 CA PHE A 673 -12.945 21.832 55.835 1.00 20.06 C ATOM 33 C PHE A 673 -12.802 21.720 54.315 1.00 20.12 C ATOM 34 O PHE A 673 -11.737 21.364 53.806 1.00 17.37 O ATOM 35 CB PHE A 673 -13.879 20.730 56.341 1.00 22.01 C ATOM 36 CG PHE A 673 -13.427 19.341 55.984 1.00 23.35 C ATOM 37 CD1 PHE A 673 -12.362 18.746 56.653 1.00 22.95 C ATOM 38 CD2 PHE A 673 -14.062 18.631 54.972 1.00 24.96 C ATOM 39 CE1 PHE A 673 -11.939 17.460 56.323 1.00 23.46 C ATOM 40 CE2 PHE A 673 -13.647 17.344 54.632 1.00 24.73 C ATOM 41 CZ PHE A 673 -12.585 16.757 55.306 1.00 24.37 C ATOM 0 H PHE A 673 -14.148 23.120 56.732 1.00 21.93 H new ATOM 0 HA PHE A 673 -12.066 21.724 56.231 1.00 20.06 H new ATOM 0 HB2 PHE A 673 -13.954 20.799 57.306 1.00 22.01 H new ATOM 0 HB3 PHE A 673 -14.766 20.876 55.976 1.00 22.01 H new ATOM 0 HD1 PHE A 673 -11.927 19.213 57.329 1.00 22.95 H new ATOM 0 HD2 PHE A 673 -14.773 19.019 54.516 1.00 24.96 H new ATOM 0 HE1 PHE A 673 -11.228 17.071 56.780 1.00 23.46 H new ATOM 0 HE2 PHE A 673 -14.082 16.879 53.954 1.00 24.73 H new ATOM 0 HZ PHE A 673 -12.305 15.899 55.081 1.00 24.37 H new ATOM 42 N LEU A 674 -13.873 22.023 53.587 1.00 19.58 N ATOM 43 CA LEU A 674 -13.825 21.951 52.129 1.00 20.51 C ATOM 44 C LEU A 674 -12.842 22.942 51.530 1.00 19.43 C ATOM 45 O LEU A 674 -12.180 22.635 50.539 1.00 21.04 O ATOM 46 CB LEU A 674 -15.215 22.164 51.524 1.00 22.39 C ATOM 47 CG LEU A 674 -16.036 20.879 51.396 1.00 23.42 C ATOM 48 CD1 LEU A 674 -17.403 21.196 50.808 1.00 24.91 C ATOM 49 CD2 LEU A 674 -15.286 19.888 50.507 1.00 26.22 C ATOM 0 H LEU A 674 -14.630 22.270 53.913 1.00 19.58 H new ATOM 0 HA LEU A 674 -13.514 21.059 51.908 1.00 20.51 H new ATOM 0 HB2 LEU A 674 -15.704 22.797 52.073 1.00 22.39 H new ATOM 0 HB3 LEU A 674 -15.118 22.565 50.646 1.00 22.39 H new ATOM 0 HG LEU A 674 -16.164 20.483 52.272 1.00 23.42 H new ATOM 0 HD11 LEU A 674 -17.919 20.378 50.729 1.00 24.91 H new ATOM 0 HD12 LEU A 674 -17.869 21.817 51.389 1.00 24.91 H new ATOM 0 HD13 LEU A 674 -17.293 21.595 49.931 1.00 24.91 H new ATOM 0 HD21 LEU A 674 -15.804 19.072 50.424 1.00 26.22 H new ATOM 0 HD22 LEU A 674 -15.153 20.277 49.629 1.00 26.22 H new ATOM 0 HD23 LEU A 674 -14.425 19.685 50.904 1.00 26.22 H new ATOM 50 N ASN A 675 -12.748 24.128 52.125 1.00 18.73 N ATOM 51 CA ASN A 675 -11.805 25.135 51.650 1.00 19.47 C ATOM 52 C ASN A 675 -10.410 24.524 51.679 1.00 17.68 C ATOM 53 O ASN A 675 -9.630 24.688 50.742 1.00 17.37 O ATOM 54 CB ASN A 675 -11.803 26.368 52.562 1.00 22.78 C ATOM 55 CG ASN A 675 -12.896 27.356 52.225 1.00 25.78 C ATOM 56 OD1 ASN A 675 -13.654 27.172 51.274 1.00 26.76 O ATOM 57 ND2 ASN A 675 -12.978 28.425 53.008 1.00 28.02 N ATOM 0 H ASN A 675 -13.220 24.368 52.803 1.00 18.73 H new ATOM 0 HA ASN A 675 -12.063 25.409 50.756 1.00 19.47 H new ATOM 0 HB2 ASN A 675 -11.905 26.082 53.483 1.00 22.78 H new ATOM 0 HB3 ASN A 675 -10.943 26.811 52.496 1.00 22.78 H new ATOM 0 HD21 ASN A 675 -13.579 29.022 52.859 1.00 28.02 H new ATOM 0 HD22 ASN A 675 -12.431 28.520 53.664 1.00 28.02 H new ATOM 58 N VAL A 676 -10.099 23.818 52.762 1.00 16.17 N ATOM 59 CA VAL A 676 -8.783 23.203 52.900 1.00 16.02 C ATOM 60 C VAL A 676 -8.547 22.121 51.858 1.00 16.78 C ATOM 61 O VAL A 676 -7.508 22.114 51.197 1.00 15.02 O ATOM 62 CB VAL A 676 -8.589 22.595 54.310 1.00 16.33 C ATOM 63 CG1 VAL A 676 -7.225 21.939 54.413 1.00 18.02 C ATOM 64 CG2 VAL A 676 -8.723 23.683 55.364 1.00 16.67 C ATOM 0 H VAL A 676 -10.631 23.684 53.424 1.00 16.17 H new ATOM 0 HA VAL A 676 -8.137 23.913 52.764 1.00 16.02 H new ATOM 0 HB VAL A 676 -9.272 21.922 54.459 1.00 16.33 H new ATOM 0 HG11 VAL A 676 -7.113 21.561 55.300 1.00 18.02 H new ATOM 0 HG12 VAL A 676 -7.154 21.234 53.750 1.00 18.02 H new ATOM 0 HG13 VAL A 676 -6.534 22.601 54.255 1.00 18.02 H new ATOM 0 HG21 VAL A 676 -8.601 23.297 56.245 1.00 16.67 H new ATOM 0 HG22 VAL A 676 -8.049 24.364 55.214 1.00 16.67 H new ATOM 0 HG23 VAL A 676 -9.605 24.083 55.306 1.00 16.67 H new ATOM 65 N LEU A 677 -9.500 21.204 51.704 1.00 14.96 N ATOM 66 CA LEU A 677 -9.333 20.132 50.726 1.00 14.28 C ATOM 67 C LEU A 677 -9.107 20.665 49.312 1.00 16.02 C ATOM 68 O LEU A 677 -8.288 20.130 48.573 1.00 15.63 O ATOM 69 CB LEU A 677 -10.546 19.193 50.732 1.00 15.70 C ATOM 70 CG LEU A 677 -10.810 18.412 52.024 1.00 16.89 C ATOM 71 CD1 LEU A 677 -11.805 17.299 51.712 1.00 18.50 C ATOM 72 CD2 LEU A 677 -9.520 17.809 52.575 1.00 18.29 C ATOM 0 H LEU A 677 -10.237 21.184 52.147 1.00 14.96 H new ATOM 0 HA LEU A 677 -8.540 19.639 50.990 1.00 14.28 H new ATOM 0 HB2 LEU A 677 -11.336 19.718 50.530 1.00 15.70 H new ATOM 0 HB3 LEU A 677 -10.437 18.555 50.010 1.00 15.70 H new ATOM 0 HG LEU A 677 -11.167 19.014 52.696 1.00 16.89 H new ATOM 0 HD11 LEU A 677 -11.986 16.791 52.518 1.00 18.50 H new ATOM 0 HD12 LEU A 677 -12.631 17.686 51.382 1.00 18.50 H new ATOM 0 HD13 LEU A 677 -11.432 16.711 51.037 1.00 18.50 H new ATOM 0 HD21 LEU A 677 -9.713 17.321 53.391 1.00 18.29 H new ATOM 0 HD22 LEU A 677 -9.139 17.204 51.919 1.00 18.29 H new ATOM 0 HD23 LEU A 677 -8.887 18.518 52.766 1.00 18.29 H new ATOM 73 N GLU A 678 -9.826 21.718 48.930 1.00 15.57 N ATOM 74 CA GLU A 678 -9.651 22.272 47.592 1.00 17.61 C ATOM 75 C GLU A 678 -8.278 22.923 47.459 1.00 18.18 C ATOM 76 O GLU A 678 -7.607 22.788 46.436 1.00 19.13 O ATOM 77 CB GLU A 678 -10.736 23.307 47.287 1.00 22.82 C ATOM 78 CG GLU A 678 -10.605 23.910 45.895 1.00 28.05 C ATOM 79 CD GLU A 678 -11.735 24.860 45.542 1.00 32.60 C ATOM 80 OE1 GLU A 678 -11.708 25.417 44.424 1.00 36.74 O ATOM 81 OE2 GLU A 678 -12.649 25.052 46.371 1.00 37.66 O ATOM 0 H GLU A 678 -10.409 22.119 49.419 1.00 15.57 H new ATOM 0 HA GLU A 678 -9.723 21.543 46.956 1.00 17.61 H new ATOM 0 HB2 GLU A 678 -11.608 22.890 47.373 1.00 22.82 H new ATOM 0 HB3 GLU A 678 -10.694 24.017 47.947 1.00 22.82 H new ATOM 0 HG2 GLU A 678 -9.761 24.384 45.833 1.00 28.05 H new ATOM 0 HG3 GLU A 678 -10.577 23.194 45.241 1.00 28.05 H new ATOM 82 N ALA A 679 -7.862 23.615 48.513 1.00 17.06 N ATOM 83 CA ALA A 679 -6.581 24.309 48.525 1.00 16.73 C ATOM 84 C ALA A 679 -5.355 23.409 48.407 1.00 17.87 C ATOM 85 O ALA A 679 -4.361 23.787 47.782 1.00 18.24 O ATOM 86 CB ALA A 679 -6.476 25.150 49.787 1.00 15.80 C ATOM 0 H ALA A 679 -8.314 23.695 49.240 1.00 17.06 H new ATOM 0 HA ALA A 679 -6.574 24.859 47.726 1.00 16.73 H new ATOM 0 HB1 ALA A 679 -5.624 25.613 49.797 1.00 15.80 H new ATOM 0 HB2 ALA A 679 -7.197 25.799 49.804 1.00 15.80 H new ATOM 0 HB3 ALA A 679 -6.541 24.575 50.566 1.00 15.80 H new ATOM 87 N ILE A 680 -5.416 22.222 49.001 1.00 17.17 N ATOM 88 CA ILE A 680 -4.269 21.316 48.981 1.00 16.88 C ATOM 89 C ILE A 680 -4.277 20.279 47.866 1.00 17.74 C ATOM 90 O ILE A 680 -3.313 19.531 47.715 1.00 18.03 O ATOM 91 CB ILE A 680 -4.132 20.556 50.321 1.00 15.92 C ATOM 92 CG1 ILE A 680 -5.340 19.632 50.529 1.00 15.33 C ATOM 93 CG2 ILE A 680 -4.032 21.556 51.484 1.00 16.05 C ATOM 94 CD1 ILE A 680 -5.239 18.740 51.759 1.00 15.31 C ATOM 0 H ILE A 680 -6.106 21.922 49.418 1.00 17.17 H new ATOM 0 HA ILE A 680 -3.517 21.908 48.823 1.00 16.88 H new ATOM 0 HB ILE A 680 -3.325 20.018 50.295 1.00 15.92 H new ATOM 0 HG12 ILE A 680 -6.141 20.175 50.600 1.00 15.33 H new ATOM 0 HG13 ILE A 680 -5.445 19.072 49.744 1.00 15.33 H new ATOM 0 HG21 ILE A 680 -3.946 21.072 52.320 1.00 16.05 H new ATOM 0 HG22 ILE A 680 -3.255 22.123 51.358 1.00 16.05 H new ATOM 0 HG23 ILE A 680 -4.831 22.105 51.509 1.00 16.05 H new ATOM 0 HD11 ILE A 680 -6.034 18.188 51.825 1.00 15.31 H new ATOM 0 HD12 ILE A 680 -4.456 18.172 51.684 1.00 15.31 H new ATOM 0 HD13 ILE A 680 -5.163 19.291 52.553 1.00 15.31 H new ATOM 95 N GLU A 681 -5.355 20.238 47.092 1.00 17.05 N ATOM 96 CA GLU A 681 -5.474 19.264 46.007 1.00 18.97 C ATOM 97 C GLU A 681 -4.294 19.396 45.040 1.00 19.19 C ATOM 98 O GLU A 681 -4.042 20.473 44.500 1.00 20.15 O ATOM 99 CB GLU A 681 -6.795 19.475 45.267 1.00 18.71 C ATOM 100 CG GLU A 681 -7.053 18.507 44.117 1.00 19.02 C ATOM 101 CD GLU A 681 -7.252 17.069 44.563 1.00 20.14 C ATOM 102 OE1 GLU A 681 -7.595 16.240 43.693 1.00 21.30 O ATOM 103 OE2 GLU A 681 -7.064 16.758 45.762 1.00 19.87 O ATOM 0 H GLU A 681 -6.030 20.764 47.176 1.00 17.05 H new ATOM 0 HA GLU A 681 -5.462 18.370 46.383 1.00 18.97 H new ATOM 0 HB2 GLU A 681 -7.522 19.400 45.904 1.00 18.71 H new ATOM 0 HB3 GLU A 681 -6.814 20.381 44.920 1.00 18.71 H new ATOM 0 HG2 GLU A 681 -7.840 18.798 43.630 1.00 19.02 H new ATOM 0 HG3 GLU A 681 -6.306 18.545 43.499 1.00 19.02 H new ATOM 104 N PRO A 682 -3.552 18.297 44.815 1.00 20.16 N ATOM 105 CA PRO A 682 -2.401 18.324 43.908 1.00 21.72 C ATOM 106 C PRO A 682 -2.762 18.744 42.496 1.00 22.74 C ATOM 107 O PRO A 682 -3.875 18.503 42.027 1.00 23.14 O ATOM 108 CB PRO A 682 -1.894 16.885 43.949 1.00 21.66 C ATOM 109 CG PRO A 682 -2.241 16.454 45.334 1.00 22.85 C ATOM 110 CD PRO A 682 -3.651 16.988 45.481 1.00 20.26 C ATOM 0 HA PRO A 682 -1.740 18.979 44.181 1.00 21.72 H new ATOM 0 HB2 PRO A 682 -2.327 16.331 43.280 1.00 21.66 H new ATOM 0 HB3 PRO A 682 -0.939 16.835 43.784 1.00 21.66 H new ATOM 0 HG2 PRO A 682 -2.205 15.490 45.435 1.00 22.85 H new ATOM 0 HG3 PRO A 682 -1.638 16.831 45.994 1.00 22.85 H new ATOM 0 HD2 PRO A 682 -4.304 16.412 45.054 1.00 20.26 H new ATOM 0 HD3 PRO A 682 -3.912 17.073 46.411 1.00 20.26 H new ATOM 111 N GLY A 683 -1.811 19.381 41.828 1.00 23.56 N ATOM 112 CA GLY A 683 -2.033 19.805 40.464 1.00 23.35 C ATOM 113 C GLY A 683 -1.743 18.651 39.525 1.00 22.55 C ATOM 114 O GLY A 683 -1.644 17.497 39.953 1.00 22.18 O ATOM 0 H GLY A 683 -1.036 19.575 42.147 1.00 23.56 H new ATOM 0 HA2 GLY A 683 -2.949 20.103 40.353 1.00 23.35 H new ATOM 0 HA3 GLY A 683 -1.461 20.559 40.252 1.00 23.35 H new ATOM 115 N VAL A 684 -1.593 18.965 38.244 1.00 21.81 N ATOM 116 CA VAL A 684 -1.317 17.962 37.225 1.00 21.39 C ATOM 117 C VAL A 684 0.059 17.322 37.379 1.00 20.35 C ATOM 118 O VAL A 684 1.052 18.009 37.642 1.00 22.57 O ATOM 119 CB VAL A 684 -1.411 18.588 35.806 1.00 23.11 C ATOM 120 CG1 VAL A 684 -1.026 17.560 34.749 1.00 24.24 C ATOM 121 CG2 VAL A 684 -2.825 19.097 35.557 1.00 25.59 C ATOM 0 H VAL A 684 -1.649 19.768 37.941 1.00 21.81 H new ATOM 0 HA VAL A 684 -1.988 17.271 37.341 1.00 21.39 H new ATOM 0 HB VAL A 684 -0.794 19.334 35.750 1.00 23.11 H new ATOM 0 HG11 VAL A 684 -1.088 17.962 33.868 1.00 24.24 H new ATOM 0 HG12 VAL A 684 -0.116 17.262 34.904 1.00 24.24 H new ATOM 0 HG13 VAL A 684 -1.628 16.801 34.801 1.00 24.24 H new ATOM 0 HG21 VAL A 684 -2.877 19.486 34.670 1.00 25.59 H new ATOM 0 HG22 VAL A 684 -3.451 18.359 35.623 1.00 25.59 H new ATOM 0 HG23 VAL A 684 -3.048 19.770 36.219 1.00 25.59 H new ATOM 122 N VAL A 685 0.117 16.004 37.216 1.00 17.97 N ATOM 123 CA VAL A 685 1.382 15.283 37.294 1.00 18.44 C ATOM 124 C VAL A 685 1.558 14.496 35.997 1.00 17.57 C ATOM 125 O VAL A 685 0.673 13.746 35.594 1.00 17.68 O ATOM 126 CB VAL A 685 1.416 14.293 38.477 1.00 18.42 C ATOM 127 CG1 VAL A 685 2.759 13.573 38.505 1.00 19.22 C ATOM 128 CG2 VAL A 685 1.186 15.032 39.787 1.00 19.53 C ATOM 0 H VAL A 685 -0.567 15.508 37.059 1.00 17.97 H new ATOM 0 HA VAL A 685 2.094 15.929 37.427 1.00 18.44 H new ATOM 0 HB VAL A 685 0.709 13.639 38.364 1.00 18.42 H new ATOM 0 HG11 VAL A 685 2.778 12.951 39.249 1.00 19.22 H new ATOM 0 HG12 VAL A 685 2.883 13.087 37.675 1.00 19.22 H new ATOM 0 HG13 VAL A 685 3.472 14.222 38.608 1.00 19.22 H new ATOM 0 HG21 VAL A 685 1.209 14.401 40.523 1.00 19.53 H new ATOM 0 HG22 VAL A 685 1.881 15.697 39.910 1.00 19.53 H new ATOM 0 HG23 VAL A 685 0.321 15.470 39.764 1.00 19.53 H new ATOM 129 N CYS A 686 2.700 14.680 35.343 1.00 18.21 N ATOM 130 CA CYS A 686 2.980 13.986 34.092 1.00 19.17 C ATOM 131 C CYS A 686 3.855 12.765 34.334 1.00 18.31 C ATOM 132 O CYS A 686 4.631 12.721 35.291 1.00 19.38 O ATOM 133 CB CYS A 686 3.663 14.934 33.101 1.00 19.44 C ATOM 134 SG CYS A 686 2.610 16.327 32.625 1.00 25.03 S ATOM 0 H CYS A 686 3.328 15.205 35.608 1.00 18.21 H new ATOM 0 HA CYS A 686 2.137 13.689 33.715 1.00 19.17 H new ATOM 0 HB2 CYS A 686 4.482 15.273 33.496 1.00 19.44 H new ATOM 0 HB3 CYS A 686 3.915 14.438 32.306 1.00 19.44 H new ATOM 0 HG CYS A 686 3.201 17.030 31.853 1.00 25.03 H new ATOM 135 N ALA A 687 3.730 11.778 33.454 1.00 17.79 N ATOM 136 CA ALA A 687 4.481 10.535 33.567 1.00 18.73 C ATOM 137 C ALA A 687 5.853 10.575 32.899 1.00 19.53 C ATOM 138 O ALA A 687 6.756 9.841 33.300 1.00 20.36 O ATOM 139 CB ALA A 687 3.659 9.386 32.979 1.00 19.46 C ATOM 0 H ALA A 687 3.206 11.811 32.773 1.00 17.79 H new ATOM 0 HA ALA A 687 4.643 10.400 34.514 1.00 18.73 H new ATOM 0 HB1 ALA A 687 4.159 8.558 33.054 1.00 19.46 H new ATOM 0 HB2 ALA A 687 2.824 9.304 33.465 1.00 19.46 H new ATOM 0 HB3 ALA A 687 3.472 9.567 32.044 1.00 19.46 H new ATOM 140 N GLY A 688 5.999 11.418 31.880 1.00 20.37 N ATOM 141 CA GLY A 688 7.261 11.514 31.162 1.00 19.11 C ATOM 142 C GLY A 688 7.372 10.445 30.086 1.00 19.72 C ATOM 143 O GLY A 688 8.457 10.162 29.577 1.00 20.73 O ATOM 0 H GLY A 688 5.380 11.941 31.591 1.00 20.37 H new ATOM 0 HA2 GLY A 688 7.338 12.392 30.757 1.00 19.11 H new ATOM 0 HA3 GLY A 688 7.998 11.424 31.787 1.00 19.11 H new ATOM 144 N HIS A 689 6.237 9.853 29.735 1.00 18.67 N ATOM 145 CA HIS A 689 6.183 8.793 28.733 1.00 18.20 C ATOM 146 C HIS A 689 6.457 9.298 27.320 1.00 18.33 C ATOM 147 O HIS A 689 6.056 10.407 26.965 1.00 19.18 O ATOM 148 CB HIS A 689 4.801 8.131 28.775 1.00 18.44 C ATOM 149 CG HIS A 689 4.658 6.966 27.851 1.00 18.20 C ATOM 150 ND1 HIS A 689 5.318 5.772 28.050 1.00 19.46 N ATOM 151 CD2 HIS A 689 3.945 6.814 26.710 1.00 18.50 C ATOM 152 CE1 HIS A 689 5.019 4.938 27.073 1.00 20.09 C ATOM 153 NE2 HIS A 689 4.186 5.546 26.244 1.00 19.02 N ATOM 0 H HIS A 689 5.472 10.055 30.072 1.00 18.67 H new ATOM 0 HA HIS A 689 6.881 8.155 28.950 1.00 18.20 H new ATOM 0 HB2 HIS A 689 4.621 7.837 29.682 1.00 18.44 H new ATOM 0 HB3 HIS A 689 4.128 8.793 28.552 1.00 18.44 H new ATOM 0 HD1 HIS A 689 5.843 5.598 28.709 1.00 19.46 H new ATOM 0 HD2 HIS A 689 3.394 7.451 26.315 1.00 18.50 H new ATOM 0 HE1 HIS A 689 5.339 4.070 26.982 1.00 20.09 H new ATOM 154 N ASP A 690 7.137 8.485 26.514 1.00 19.43 N ATOM 155 CA ASP A 690 7.418 8.860 25.127 1.00 19.25 C ATOM 156 C ASP A 690 6.294 8.303 24.259 1.00 18.76 C ATOM 157 O ASP A 690 6.285 7.119 23.919 1.00 18.94 O ATOM 158 CB ASP A 690 8.756 8.284 24.654 1.00 19.28 C ATOM 159 CG ASP A 690 9.099 8.708 23.234 1.00 21.50 C ATOM 160 OD1 ASP A 690 8.232 9.313 22.570 1.00 21.25 O ATOM 161 OD2 ASP A 690 10.232 8.436 22.780 1.00 20.47 O ATOM 0 H ASP A 690 7.443 7.716 26.748 1.00 19.43 H new ATOM 0 HA ASP A 690 7.471 9.826 25.060 1.00 19.25 H new ATOM 0 HB2 ASP A 690 9.461 8.574 25.255 1.00 19.28 H new ATOM 0 HB3 ASP A 690 8.723 7.316 24.701 1.00 19.28 H new ATOM 162 N ASN A 691 5.352 9.170 23.908 1.00 18.95 N ATOM 163 CA ASN A 691 4.204 8.784 23.105 1.00 20.31 C ATOM 164 C ASN A 691 4.501 8.667 21.621 1.00 23.16 C ATOM 165 O ASN A 691 3.633 8.286 20.834 1.00 23.31 O ATOM 166 CB ASN A 691 3.068 9.774 23.344 1.00 19.30 C ATOM 167 CG ASN A 691 2.438 9.592 24.703 1.00 20.52 C ATOM 168 OD1 ASN A 691 1.739 8.605 24.937 1.00 21.30 O ATOM 169 ND2 ASN A 691 2.700 10.521 25.617 1.00 21.83 N ATOM 0 H ASN A 691 5.362 10.001 24.130 1.00 18.95 H new ATOM 0 HA ASN A 691 3.948 7.893 23.391 1.00 20.31 H new ATOM 0 HB2 ASN A 691 3.407 10.679 23.264 1.00 19.30 H new ATOM 0 HB3 ASN A 691 2.392 9.662 22.657 1.00 19.30 H new ATOM 0 HD21 ASN A 691 2.377 10.447 26.410 1.00 21.83 H new ATOM 0 HD22 ASN A 691 3.193 11.196 25.415 1.00 21.83 H new ATOM 170 N ASN A 692 5.732 8.980 21.236 1.00 22.87 N ATOM 171 CA ASN A 692 6.113 8.887 19.833 1.00 26.31 C ATOM 172 C ASN A 692 6.580 7.473 19.490 1.00 27.58 C ATOM 173 O ASN A 692 6.641 7.096 18.318 1.00 30.63 O ATOM 174 CB ASN A 692 7.208 9.910 19.528 1.00 27.61 C ATOM 175 CG ASN A 692 6.734 11.337 19.725 1.00 28.49 C ATOM 176 OD1 ASN A 692 6.015 11.889 18.889 1.00 30.83 O ATOM 177 ND2 ASN A 692 7.120 11.939 20.844 1.00 30.25 N ATOM 0 H ASN A 692 6.356 9.246 21.765 1.00 22.87 H new ATOM 0 HA ASN A 692 5.338 9.083 19.283 1.00 26.31 H new ATOM 0 HB2 ASN A 692 7.972 9.743 20.102 1.00 27.61 H new ATOM 0 HB3 ASN A 692 7.509 9.795 18.613 1.00 27.61 H new ATOM 0 HD21 ASN A 692 6.868 12.745 21.008 1.00 30.25 H new ATOM 0 HD22 ASN A 692 7.622 11.523 21.405 1.00 30.25 H new ATOM 178 N GLN A 693 6.895 6.689 20.517 1.00 28.67 N ATOM 179 CA GLN A 693 7.350 5.314 20.330 1.00 30.84 C ATOM 180 C GLN A 693 6.167 4.358 20.288 1.00 30.19 C ATOM 181 O GLN A 693 5.141 4.601 20.922 1.00 29.45 O ATOM 182 CB GLN A 693 8.261 4.879 21.485 1.00 31.74 C ATOM 183 CG GLN A 693 9.610 5.568 21.564 1.00 35.16 C ATOM 184 CD GLN A 693 10.476 5.297 20.353 1.00 37.89 C ATOM 185 OE1 GLN A 693 10.493 4.185 19.822 1.00 37.96 O ATOM 186 NE2 GLN A 693 11.216 6.311 19.918 1.00 38.82 N ATOM 0 H GLN A 693 6.851 6.938 21.339 1.00 28.67 H new ATOM 0 HA GLN A 693 7.837 5.285 19.491 1.00 30.84 H new ATOM 0 HB2 GLN A 693 7.791 5.031 22.319 1.00 31.74 H new ATOM 0 HB3 GLN A 693 8.410 3.923 21.414 1.00 31.74 H new ATOM 0 HG2 GLN A 693 9.476 6.524 21.653 1.00 35.16 H new ATOM 0 HG3 GLN A 693 10.074 5.271 22.362 1.00 35.16 H new ATOM 0 HE21 GLN A 693 11.177 7.073 20.315 1.00 38.82 H new ATOM 0 HE22 GLN A 693 11.734 6.205 19.240 1.00 38.82 H new ATOM 187 N PRO A 694 6.289 3.261 19.524 1.00 29.53 N ATOM 188 CA PRO A 694 5.186 2.299 19.459 1.00 28.63 C ATOM 189 C PRO A 694 4.998 1.730 20.866 1.00 27.44 C ATOM 190 O PRO A 694 5.969 1.581 21.606 1.00 28.98 O ATOM 191 CB PRO A 694 5.704 1.250 18.480 1.00 29.87 C ATOM 192 CG PRO A 694 6.553 2.067 17.546 1.00 30.41 C ATOM 193 CD PRO A 694 7.314 2.957 18.509 1.00 30.95 C ATOM 0 HA PRO A 694 4.330 2.655 19.174 1.00 28.63 H new ATOM 0 HB2 PRO A 694 6.220 0.562 18.928 1.00 29.87 H new ATOM 0 HB3 PRO A 694 4.981 0.803 18.013 1.00 29.87 H new ATOM 0 HG2 PRO A 694 7.148 1.513 17.017 1.00 30.41 H new ATOM 0 HG3 PRO A 694 6.016 2.581 16.923 1.00 30.41 H new ATOM 0 HD2 PRO A 694 8.081 2.504 18.893 1.00 30.95 H new ATOM 0 HD3 PRO A 694 7.645 3.759 18.077 1.00 30.95 H new ATOM 194 N ASP A 695 3.762 1.415 21.233 1.00 24.98 N ATOM 195 CA ASP A 695 3.484 0.878 22.562 1.00 25.28 C ATOM 196 C ASP A 695 4.160 -0.460 22.826 1.00 24.24 C ATOM 197 O ASP A 695 4.237 -1.313 21.943 1.00 25.25 O ATOM 198 CB ASP A 695 1.977 0.700 22.771 1.00 23.74 C ATOM 199 CG ASP A 695 1.221 2.012 22.749 1.00 26.32 C ATOM 200 OD1 ASP A 695 1.694 2.982 23.374 1.00 25.65 O ATOM 201 OD2 ASP A 695 0.145 2.067 22.121 1.00 29.32 O ATOM 0 H ASP A 695 3.070 1.504 20.730 1.00 24.98 H new ATOM 0 HA ASP A 695 3.846 1.528 23.184 1.00 25.28 H new ATOM 0 HB2 ASP A 695 1.626 0.118 22.079 1.00 23.74 H new ATOM 0 HB3 ASP A 695 1.823 0.257 23.620 1.00 23.74 H new ATOM 202 N SER A 696 4.648 -0.632 24.050 1.00 23.99 N ATOM 203 CA SER A 696 5.280 -1.878 24.463 1.00 23.29 C ATOM 204 C SER A 696 5.003 -2.057 25.949 1.00 21.76 C ATOM 205 O SER A 696 4.880 -1.077 26.692 1.00 19.32 O ATOM 206 CB SER A 696 6.797 -1.853 24.209 1.00 25.28 C ATOM 207 OG SER A 696 7.499 -1.107 25.188 1.00 25.57 O ATOM 0 H SER A 696 4.622 -0.030 24.663 1.00 23.99 H new ATOM 0 HA SER A 696 4.918 -2.615 23.947 1.00 23.29 H new ATOM 0 HB2 SER A 696 7.135 -2.762 24.196 1.00 25.28 H new ATOM 0 HB3 SER A 696 6.969 -1.474 23.333 1.00 25.28 H new ATOM 0 HG SER A 696 8.321 -1.120 25.014 1.00 25.57 H new ATOM 208 N PHE A 697 4.890 -3.308 26.375 1.00 19.83 N ATOM 209 CA PHE A 697 4.631 -3.613 27.777 1.00 19.13 C ATOM 210 C PHE A 697 5.646 -2.944 28.698 1.00 20.33 C ATOM 211 O PHE A 697 5.278 -2.231 29.630 1.00 19.38 O ATOM 212 CB PHE A 697 4.670 -5.124 28.004 1.00 19.01 C ATOM 213 CG PHE A 697 4.558 -5.522 29.449 1.00 19.78 C ATOM 214 CD1 PHE A 697 3.359 -5.358 30.141 1.00 19.57 C ATOM 215 CD2 PHE A 697 5.651 -6.055 30.124 1.00 21.37 C ATOM 216 CE1 PHE A 697 3.251 -5.715 31.480 1.00 21.19 C ATOM 217 CE2 PHE A 697 5.553 -6.417 31.472 1.00 22.11 C ATOM 218 CZ PHE A 697 4.349 -6.248 32.147 1.00 21.90 C ATOM 0 H PHE A 697 4.960 -3.998 25.867 1.00 19.83 H new ATOM 0 HA PHE A 697 3.750 -3.267 27.989 1.00 19.13 H new ATOM 0 HB2 PHE A 697 3.947 -5.536 27.506 1.00 19.01 H new ATOM 0 HB3 PHE A 697 5.499 -5.476 27.643 1.00 19.01 H new ATOM 0 HD1 PHE A 697 2.620 -5.004 29.700 1.00 19.57 H new ATOM 0 HD2 PHE A 697 6.456 -6.172 29.674 1.00 21.37 H new ATOM 0 HE1 PHE A 697 2.445 -5.598 31.929 1.00 21.19 H new ATOM 0 HE2 PHE A 697 6.291 -6.770 31.915 1.00 22.11 H new ATOM 0 HZ PHE A 697 4.278 -6.491 33.042 1.00 21.90 H new ATOM 219 N ALA A 698 6.927 -3.178 28.437 1.00 19.74 N ATOM 220 CA ALA A 698 7.973 -2.607 29.271 1.00 19.57 C ATOM 221 C ALA A 698 7.899 -1.087 29.384 1.00 19.63 C ATOM 222 O ALA A 698 7.989 -0.543 30.482 1.00 19.32 O ATOM 223 CB ALA A 698 9.346 -3.031 28.752 1.00 21.54 C ATOM 0 H ALA A 698 7.209 -3.662 27.785 1.00 19.74 H new ATOM 0 HA ALA A 698 7.833 -2.955 30.166 1.00 19.57 H new ATOM 0 HB1 ALA A 698 10.037 -2.646 29.313 1.00 21.54 H new ATOM 0 HB2 ALA A 698 9.415 -3.998 28.772 1.00 21.54 H new ATOM 0 HB3 ALA A 698 9.459 -2.718 27.841 1.00 21.54 H new ATOM 224 N ALA A 699 7.745 -0.399 28.256 1.00 19.14 N ATOM 225 CA ALA A 699 7.682 1.059 28.280 1.00 18.51 C ATOM 226 C ALA A 699 6.442 1.563 29.020 1.00 17.22 C ATOM 227 O ALA A 699 6.522 2.495 29.827 1.00 17.15 O ATOM 228 CB ALA A 699 7.710 1.616 26.853 1.00 19.84 C ATOM 0 H ALA A 699 7.676 -0.752 27.475 1.00 19.14 H new ATOM 0 HA ALA A 699 8.461 1.377 28.762 1.00 18.51 H new ATOM 0 HB1 ALA A 699 7.668 2.585 26.883 1.00 19.84 H new ATOM 0 HB2 ALA A 699 8.531 1.342 26.414 1.00 19.84 H new ATOM 0 HB3 ALA A 699 6.949 1.275 26.357 1.00 19.84 H new ATOM 229 N LEU A 700 5.295 0.954 28.745 1.00 17.08 N ATOM 230 CA LEU A 700 4.061 1.369 29.399 1.00 15.99 C ATOM 231 C LEU A 700 4.114 1.168 30.910 1.00 14.65 C ATOM 232 O LEU A 700 3.760 2.071 31.669 1.00 15.76 O ATOM 233 CB LEU A 700 2.867 0.616 28.809 1.00 15.50 C ATOM 234 CG LEU A 700 2.509 1.016 27.372 1.00 16.48 C ATOM 235 CD1 LEU A 700 1.446 0.070 26.818 1.00 18.15 C ATOM 236 CD2 LEU A 700 2.009 2.459 27.349 1.00 17.14 C ATOM 0 H LEU A 700 5.209 0.304 28.188 1.00 17.08 H new ATOM 0 HA LEU A 700 3.955 2.319 29.236 1.00 15.99 H new ATOM 0 HB2 LEU A 700 3.057 -0.335 28.830 1.00 15.50 H new ATOM 0 HB3 LEU A 700 2.094 0.764 29.376 1.00 15.50 H new ATOM 0 HG LEU A 700 3.299 0.951 26.813 1.00 16.48 H new ATOM 0 HD11 LEU A 700 1.224 0.328 25.910 1.00 18.15 H new ATOM 0 HD12 LEU A 700 1.787 -0.838 26.821 1.00 18.15 H new ATOM 0 HD13 LEU A 700 0.650 0.118 27.371 1.00 18.15 H new ATOM 0 HD21 LEU A 700 1.783 2.709 26.439 1.00 17.14 H new ATOM 0 HD22 LEU A 700 1.222 2.538 27.910 1.00 17.14 H new ATOM 0 HD23 LEU A 700 2.704 3.048 27.683 1.00 17.14 H new ATOM 237 N LEU A 701 4.563 -0.003 31.354 1.00 15.67 N ATOM 238 CA LEU A 701 4.638 -0.257 32.789 1.00 15.25 C ATOM 239 C LEU A 701 5.754 0.543 33.460 1.00 17.17 C ATOM 240 O LEU A 701 5.613 0.961 34.612 1.00 16.05 O ATOM 241 CB LEU A 701 4.784 -1.757 33.073 1.00 16.31 C ATOM 242 CG LEU A 701 3.461 -2.531 33.234 1.00 17.45 C ATOM 243 CD1 LEU A 701 2.739 -2.040 34.489 1.00 16.96 C ATOM 244 CD2 LEU A 701 2.580 -2.353 32.005 1.00 17.35 C ATOM 0 H LEU A 701 4.824 -0.651 30.853 1.00 15.67 H new ATOM 0 HA LEU A 701 3.802 0.046 33.177 1.00 15.25 H new ATOM 0 HB2 LEU A 701 5.291 -2.160 32.351 1.00 16.31 H new ATOM 0 HB3 LEU A 701 5.307 -1.868 33.883 1.00 16.31 H new ATOM 0 HG LEU A 701 3.655 -3.477 33.325 1.00 17.45 H new ATOM 0 HD11 LEU A 701 1.906 -2.525 34.594 1.00 16.96 H new ATOM 0 HD12 LEU A 701 3.300 -2.191 35.266 1.00 16.96 H new ATOM 0 HD13 LEU A 701 2.552 -1.092 34.405 1.00 16.96 H new ATOM 0 HD21 LEU A 701 1.754 -2.847 32.125 1.00 17.35 H new ATOM 0 HD22 LEU A 701 2.379 -1.412 31.884 1.00 17.35 H new ATOM 0 HD23 LEU A 701 3.045 -2.687 31.222 1.00 17.35 H new ATOM 245 N SER A 702 6.860 0.772 32.754 1.00 17.57 N ATOM 246 CA SER A 702 7.927 1.578 33.337 1.00 18.16 C ATOM 247 C SER A 702 7.411 3.010 33.542 1.00 17.10 C ATOM 248 O SER A 702 7.730 3.650 34.540 1.00 15.80 O ATOM 249 CB SER A 702 9.160 1.590 32.433 1.00 19.05 C ATOM 250 OG SER A 702 9.791 0.322 32.431 1.00 19.49 O ATOM 0 H SER A 702 7.009 0.479 31.959 1.00 17.57 H new ATOM 0 HA SER A 702 8.186 1.193 34.189 1.00 18.16 H new ATOM 0 HB2 SER A 702 8.902 1.829 31.529 1.00 19.05 H new ATOM 0 HB3 SER A 702 9.784 2.267 32.738 1.00 19.05 H new ATOM 0 HG SER A 702 9.407 -0.181 31.879 1.00 19.49 H new ATOM 251 N SER A 703 6.606 3.506 32.601 1.00 15.84 N ATOM 252 CA SER A 703 6.048 4.849 32.724 1.00 15.92 C ATOM 253 C SER A 703 5.006 4.911 33.838 1.00 14.52 C ATOM 254 O SER A 703 4.920 5.903 34.560 1.00 14.99 O ATOM 255 CB SER A 703 5.435 5.308 31.400 1.00 17.74 C ATOM 256 OG SER A 703 6.459 5.679 30.491 1.00 17.59 O ATOM 0 H SER A 703 6.373 3.083 31.889 1.00 15.84 H new ATOM 0 HA SER A 703 6.775 5.450 32.952 1.00 15.92 H new ATOM 0 HB2 SER A 703 4.898 4.595 31.020 1.00 17.74 H new ATOM 0 HB3 SER A 703 4.841 6.060 31.554 1.00 17.74 H new ATOM 0 HG SER A 703 6.963 6.246 30.852 1.00 17.59 H new ATOM 257 N LEU A 704 4.215 3.854 33.988 1.00 14.47 N ATOM 258 CA LEU A 704 3.236 3.837 35.066 1.00 14.92 C ATOM 259 C LEU A 704 3.978 3.853 36.404 1.00 15.68 C ATOM 260 O LEU A 704 3.580 4.561 37.320 1.00 14.44 O ATOM 261 CB LEU A 704 2.324 2.605 34.962 1.00 15.25 C ATOM 262 CG LEU A 704 1.194 2.681 33.918 1.00 15.56 C ATOM 263 CD1 LEU A 704 0.520 1.316 33.768 1.00 15.10 C ATOM 264 CD2 LEU A 704 0.165 3.735 34.333 1.00 15.11 C ATOM 0 H LEU A 704 4.228 3.153 33.490 1.00 14.47 H new ATOM 0 HA LEU A 704 2.669 4.621 34.999 1.00 14.92 H new ATOM 0 HB2 LEU A 704 2.876 1.834 34.758 1.00 15.25 H new ATOM 0 HB3 LEU A 704 1.925 2.447 35.832 1.00 15.25 H new ATOM 0 HG LEU A 704 1.575 2.935 33.063 1.00 15.56 H new ATOM 0 HD11 LEU A 704 -0.189 1.376 33.109 1.00 15.10 H new ATOM 0 HD12 LEU A 704 1.175 0.661 33.479 1.00 15.10 H new ATOM 0 HD13 LEU A 704 0.146 1.044 34.621 1.00 15.10 H new ATOM 0 HD21 LEU A 704 -0.542 3.776 33.670 1.00 15.11 H new ATOM 0 HD22 LEU A 704 -0.213 3.497 35.194 1.00 15.11 H new ATOM 0 HD23 LEU A 704 0.597 4.601 34.398 1.00 15.11 H new ATOM 265 N ASN A 705 5.070 3.092 36.502 1.00 15.45 N ATOM 266 CA ASN A 705 5.858 3.055 37.736 1.00 15.80 C ATOM 267 C ASN A 705 6.444 4.432 38.060 1.00 16.12 C ATOM 268 O ASN A 705 6.411 4.868 39.211 1.00 15.43 O ATOM 269 CB ASN A 705 6.990 2.023 37.635 1.00 17.03 C ATOM 270 CG ASN A 705 6.491 0.595 37.773 1.00 16.98 C ATOM 271 OD1 ASN A 705 5.380 0.359 38.250 1.00 18.01 O ATOM 272 ND2 ASN A 705 7.314 -0.365 37.367 1.00 17.45 N ATOM 0 H ASN A 705 5.370 2.593 35.869 1.00 15.45 H new ATOM 0 HA ASN A 705 5.259 2.795 38.453 1.00 15.80 H new ATOM 0 HB2 ASN A 705 7.440 2.124 36.782 1.00 17.03 H new ATOM 0 HB3 ASN A 705 7.648 2.201 38.325 1.00 17.03 H new ATOM 0 HD21 ASN A 705 7.078 -1.189 37.432 1.00 17.45 H new ATOM 0 HD22 ASN A 705 8.083 -0.162 37.039 1.00 17.45 H new ATOM 273 N GLU A 706 6.975 5.115 37.048 1.00 16.85 N ATOM 274 CA GLU A 706 7.543 6.449 37.245 1.00 16.64 C ATOM 275 C GLU A 706 6.438 7.423 37.665 1.00 15.24 C ATOM 276 O GLU A 706 6.652 8.280 38.519 1.00 17.05 O ATOM 277 CB GLU A 706 8.219 6.935 35.957 1.00 16.86 C ATOM 278 CG GLU A 706 8.772 8.353 36.012 1.00 20.01 C ATOM 279 CD GLU A 706 9.820 8.560 37.100 1.00 22.46 C ATOM 280 OE1 GLU A 706 10.529 7.595 37.460 1.00 23.73 O ATOM 281 OE2 GLU A 706 9.947 9.704 37.582 1.00 23.78 O ATOM 0 H GLU A 706 7.017 4.825 36.240 1.00 16.85 H new ATOM 0 HA GLU A 706 8.212 6.408 37.946 1.00 16.64 H new ATOM 0 HB2 GLU A 706 8.944 6.328 35.740 1.00 16.86 H new ATOM 0 HB3 GLU A 706 7.577 6.881 35.231 1.00 16.86 H new ATOM 0 HG2 GLU A 706 9.163 8.573 35.152 1.00 20.01 H new ATOM 0 HG3 GLU A 706 8.039 8.972 36.158 1.00 20.01 H new ATOM 282 N LEU A 707 5.254 7.282 37.071 1.00 14.73 N ATOM 283 CA LEU A 707 4.127 8.145 37.418 1.00 15.45 C ATOM 284 C LEU A 707 3.739 7.885 38.874 1.00 16.19 C ATOM 285 O LEU A 707 3.395 8.808 39.611 1.00 15.58 O ATOM 286 CB LEU A 707 2.923 7.865 36.508 1.00 12.98 C ATOM 287 CG LEU A 707 1.667 8.681 36.845 1.00 14.56 C ATOM 288 CD1 LEU A 707 1.929 10.173 36.634 1.00 14.22 C ATOM 289 CD2 LEU A 707 0.522 8.220 35.960 1.00 14.06 C ATOM 0 H LEU A 707 5.083 6.695 36.467 1.00 14.73 H new ATOM 0 HA LEU A 707 4.389 9.071 37.298 1.00 15.45 H new ATOM 0 HB2 LEU A 707 3.177 8.047 35.590 1.00 12.98 H new ATOM 0 HB3 LEU A 707 2.705 6.921 36.560 1.00 12.98 H new ATOM 0 HG LEU A 707 1.434 8.542 37.776 1.00 14.56 H new ATOM 0 HD11 LEU A 707 1.128 10.676 36.850 1.00 14.22 H new ATOM 0 HD12 LEU A 707 2.655 10.459 37.210 1.00 14.22 H new ATOM 0 HD13 LEU A 707 2.170 10.332 35.708 1.00 14.22 H new ATOM 0 HD21 LEU A 707 -0.275 8.732 36.168 1.00 14.06 H new ATOM 0 HD22 LEU A 707 0.758 8.355 35.029 1.00 14.06 H new ATOM 0 HD23 LEU A 707 0.351 7.278 36.117 1.00 14.06 H new ATOM 290 N GLY A 708 3.791 6.620 39.280 1.00 14.66 N ATOM 291 CA GLY A 708 3.468 6.278 40.651 1.00 16.29 C ATOM 292 C GLY A 708 4.439 6.948 41.603 1.00 16.71 C ATOM 293 O GLY A 708 4.042 7.499 42.630 1.00 16.58 O ATOM 0 H GLY A 708 4.009 5.955 38.780 1.00 14.66 H new ATOM 0 HA2 GLY A 708 2.561 6.556 40.855 1.00 16.29 H new ATOM 0 HA3 GLY A 708 3.503 5.316 40.768 1.00 16.29 H new ATOM 294 N GLU A 709 5.723 6.906 41.259 1.00 16.40 N ATOM 295 CA GLU A 709 6.752 7.520 42.094 1.00 18.53 C ATOM 296 C GLU A 709 6.518 9.031 42.200 1.00 17.89 C ATOM 297 O GLU A 709 6.610 9.609 43.282 1.00 19.58 O ATOM 298 CB GLU A 709 8.137 7.250 41.504 1.00 19.78 C ATOM 299 CG GLU A 709 9.297 7.704 42.391 1.00 22.67 C ATOM 300 CD GLU A 709 9.754 6.633 43.365 1.00 26.87 C ATOM 301 OE1 GLU A 709 9.026 5.632 43.546 1.00 25.93 O ATOM 302 OE2 GLU A 709 10.847 6.794 43.955 1.00 24.96 O ATOM 0 H GLU A 709 6.020 6.527 40.546 1.00 16.40 H new ATOM 0 HA GLU A 709 6.704 7.131 42.981 1.00 18.53 H new ATOM 0 HB2 GLU A 709 8.225 6.299 41.335 1.00 19.78 H new ATOM 0 HB3 GLU A 709 8.205 7.698 40.646 1.00 19.78 H new ATOM 0 HG2 GLU A 709 10.044 7.964 41.830 1.00 22.67 H new ATOM 0 HG3 GLU A 709 9.028 8.492 42.888 1.00 22.67 H new ATOM 303 N ARG A 710 6.209 9.663 41.074 1.00 16.93 N ATOM 304 CA ARG A 710 5.958 11.098 41.050 1.00 16.78 C ATOM 305 C ARG A 710 4.710 11.459 41.838 1.00 17.66 C ATOM 306 O ARG A 710 4.713 12.436 42.590 1.00 18.19 O ATOM 307 CB ARG A 710 5.835 11.589 39.610 1.00 16.67 C ATOM 308 CG ARG A 710 7.107 11.389 38.814 1.00 16.46 C ATOM 309 CD ARG A 710 6.959 11.871 37.388 1.00 18.37 C ATOM 310 NE ARG A 710 8.224 11.772 36.667 1.00 18.63 N ATOM 311 CZ ARG A 710 8.441 12.302 35.468 1.00 20.85 C ATOM 312 NH1 ARG A 710 7.476 12.970 34.852 1.00 19.85 N ATOM 313 NH2 ARG A 710 9.626 12.170 34.889 1.00 21.67 N ATOM 0 H ARG A 710 6.139 9.276 40.309 1.00 16.93 H new ATOM 0 HA ARG A 710 6.712 11.538 41.472 1.00 16.78 H new ATOM 0 HB2 ARG A 710 5.107 11.119 39.173 1.00 16.67 H new ATOM 0 HB3 ARG A 710 5.604 12.531 39.612 1.00 16.67 H new ATOM 0 HG2 ARG A 710 7.835 11.866 39.243 1.00 16.46 H new ATOM 0 HG3 ARG A 710 7.344 10.449 38.815 1.00 16.46 H new ATOM 0 HD2 ARG A 710 6.282 11.345 36.934 1.00 18.37 H new ATOM 0 HD3 ARG A 710 6.652 12.791 37.385 1.00 18.37 H new ATOM 0 HE ARG A 710 8.869 11.344 37.041 1.00 18.63 H new ATOM 0 HH11 ARG A 710 6.708 13.061 35.228 1.00 19.85 H new ATOM 0 HH12 ARG A 710 7.618 13.313 34.076 1.00 19.85 H new ATOM 0 HH21 ARG A 710 10.255 11.741 35.289 1.00 21.67 H new ATOM 0 HH22 ARG A 710 9.766 12.513 34.113 1.00 21.67 H new ATOM 314 N GLN A 711 3.644 10.676 41.674 1.00 16.74 N ATOM 315 CA GLN A 711 2.416 10.937 42.410 1.00 17.08 C ATOM 316 C GLN A 711 2.604 10.694 43.907 1.00 17.69 C ATOM 317 O GLN A 711 2.010 11.388 44.721 1.00 18.09 O ATOM 318 CB GLN A 711 1.250 10.080 41.882 1.00 16.71 C ATOM 319 CG AGLN A 711 0.765 10.503 40.495 0.50 15.57 C ATOM 320 CG BGLN A 711 0.629 10.534 40.571 0.50 18.65 C ATOM 321 CD AGLN A 711 -0.611 9.965 40.155 0.50 14.92 C ATOM 322 CD BGLN A 711 -0.254 11.754 40.736 0.50 20.00 C ATOM 323 OE1AGLN A 711 -1.097 10.117 39.027 0.50 17.17 O ATOM 324 OE1BGLN A 711 -0.812 12.272 39.766 0.50 21.13 O ATOM 325 NE2AGLN A 711 -1.254 9.339 41.131 0.50 13.14 N ATOM 326 NE2BGLN A 711 -0.406 12.208 41.975 0.50 21.35 N ATOM 0 H GLN A 711 3.614 9.997 41.147 1.00 16.74 H new ATOM 0 HA GLN A 711 2.197 11.872 42.273 1.00 17.08 H new ATOM 0 HB2AGLN A 711 1.528 9.151 41.851 0.50 16.71 H new ATOM 0 HB2BGLN A 711 1.566 9.169 41.772 0.50 16.71 H new ATOM 0 HB3AGLN A 711 0.510 10.133 42.506 0.50 16.71 H new ATOM 0 HB3BGLN A 711 0.555 10.059 42.558 0.50 16.71 H new ATOM 0 HG2AGLN A 711 0.749 11.472 40.446 0.50 18.65 H new ATOM 0 HG2BGLN A 711 1.334 10.733 39.935 0.50 18.65 H new ATOM 0 HG3AGLN A 711 1.400 10.196 39.829 0.50 18.65 H new ATOM 0 HG3BGLN A 711 0.105 9.808 40.197 0.50 18.65 H new ATOM 0 HE21AGLN A 711 -0.885 9.252 41.903 0.50 21.35 H new ATOM 0 HE21BGLN A 711 -0.001 11.821 42.627 0.50 21.35 H new ATOM 0 HE22AGLN A 711 -2.040 9.020 40.992 0.50 21.35 H new ATOM 0 HE22BGLN A 711 -0.910 12.889 42.125 0.50 21.35 H new ATOM 327 N LEU A 712 3.431 9.719 44.271 1.00 17.14 N ATOM 328 CA LEU A 712 3.662 9.436 45.686 1.00 18.62 C ATOM 329 C LEU A 712 4.204 10.674 46.389 1.00 17.41 C ATOM 330 O LEU A 712 3.851 10.952 47.535 1.00 17.50 O ATOM 331 CB LEU A 712 4.639 8.269 45.863 1.00 21.19 C ATOM 332 CG LEU A 712 4.852 7.785 47.301 1.00 25.89 C ATOM 333 CD1 LEU A 712 3.503 7.453 47.941 1.00 28.70 C ATOM 334 CD2 LEU A 712 5.764 6.560 47.294 1.00 26.76 C ATOM 0 H LEU A 712 3.863 9.215 43.724 1.00 17.14 H new ATOM 0 HA LEU A 712 2.813 9.187 46.084 1.00 18.62 H new ATOM 0 HB2 LEU A 712 4.322 7.521 45.332 1.00 21.19 H new ATOM 0 HB3 LEU A 712 5.499 8.532 45.498 1.00 21.19 H new ATOM 0 HG LEU A 712 5.274 8.485 47.823 1.00 25.89 H new ATOM 0 HD11 LEU A 712 3.643 7.147 48.851 1.00 28.70 H new ATOM 0 HD12 LEU A 712 2.945 8.246 47.949 1.00 28.70 H new ATOM 0 HD13 LEU A 712 3.065 6.755 47.429 1.00 28.70 H new ATOM 0 HD21 LEU A 712 5.900 6.252 48.204 1.00 26.76 H new ATOM 0 HD22 LEU A 712 5.353 5.853 46.772 1.00 26.76 H new ATOM 0 HD23 LEU A 712 6.619 6.795 46.902 1.00 26.76 H new ATOM 335 N VAL A 713 5.057 11.425 45.696 1.00 17.30 N ATOM 336 CA VAL A 713 5.621 12.645 46.266 1.00 18.27 C ATOM 337 C VAL A 713 4.499 13.630 46.572 1.00 18.33 C ATOM 338 O VAL A 713 4.471 14.241 47.644 1.00 18.92 O ATOM 339 CB VAL A 713 6.631 13.303 45.298 1.00 19.38 C ATOM 340 CG1 VAL A 713 7.067 14.668 45.833 1.00 21.28 C ATOM 341 CG2 VAL A 713 7.844 12.394 45.135 1.00 20.34 C ATOM 0 H VAL A 713 5.321 11.246 44.897 1.00 17.30 H new ATOM 0 HA VAL A 713 6.090 12.409 47.082 1.00 18.27 H new ATOM 0 HB VAL A 713 6.207 13.432 44.435 1.00 19.38 H new ATOM 0 HG11 VAL A 713 7.700 15.070 45.217 1.00 21.28 H new ATOM 0 HG12 VAL A 713 6.292 15.244 45.921 1.00 21.28 H new ATOM 0 HG13 VAL A 713 7.487 14.557 46.700 1.00 21.28 H new ATOM 0 HG21 VAL A 713 8.478 12.806 44.528 1.00 20.34 H new ATOM 0 HG22 VAL A 713 8.265 12.258 45.998 1.00 20.34 H new ATOM 0 HG23 VAL A 713 7.562 11.539 44.775 1.00 20.34 H new ATOM 342 N HIS A 714 3.568 13.773 45.632 1.00 18.33 N ATOM 343 CA HIS A 714 2.443 14.683 45.821 1.00 19.11 C ATOM 344 C HIS A 714 1.472 14.180 46.883 1.00 19.45 C ATOM 345 O HIS A 714 0.897 14.980 47.613 1.00 18.50 O ATOM 346 CB HIS A 714 1.698 14.909 44.501 1.00 20.90 C ATOM 347 CG HIS A 714 2.416 15.815 43.550 1.00 24.13 C ATOM 348 ND1 HIS A 714 3.428 15.379 42.717 1.00 26.32 N ATOM 349 CD2 HIS A 714 2.294 17.145 43.321 1.00 25.59 C ATOM 350 CE1 HIS A 714 3.894 16.397 42.021 1.00 28.13 C ATOM 351 NE2 HIS A 714 3.222 17.483 42.368 1.00 28.69 N ATOM 0 H HIS A 714 3.569 13.354 44.881 1.00 18.33 H new ATOM 0 HA HIS A 714 2.811 15.526 46.129 1.00 19.11 H new ATOM 0 HB2 HIS A 714 1.552 14.052 44.071 1.00 20.90 H new ATOM 0 HB3 HIS A 714 0.824 15.282 44.693 1.00 20.90 H new ATOM 0 HD1 HIS A 714 3.710 14.569 42.661 1.00 26.32 H new ATOM 0 HD2 HIS A 714 1.693 17.722 43.733 1.00 25.59 H new ATOM 0 HE1 HIS A 714 4.579 16.359 41.393 1.00 28.13 H new ATOM 352 N VAL A 715 1.290 12.864 46.971 1.00 17.62 N ATOM 353 CA VAL A 715 0.385 12.299 47.971 1.00 18.30 C ATOM 354 C VAL A 715 0.902 12.575 49.380 1.00 17.34 C ATOM 355 O VAL A 715 0.131 12.890 50.281 1.00 17.33 O ATOM 356 CB VAL A 715 0.223 10.774 47.792 1.00 19.35 C ATOM 357 CG1 VAL A 715 -0.508 10.183 48.990 1.00 19.94 C ATOM 358 CG2 VAL A 715 -0.539 10.487 46.516 1.00 21.37 C ATOM 0 H VAL A 715 1.677 12.285 46.466 1.00 17.62 H new ATOM 0 HA VAL A 715 -0.478 12.724 47.846 1.00 18.30 H new ATOM 0 HB VAL A 715 1.100 10.365 47.732 1.00 19.35 H new ATOM 0 HG11 VAL A 715 -0.606 9.225 48.870 1.00 19.94 H new ATOM 0 HG12 VAL A 715 0.000 10.357 49.798 1.00 19.94 H new ATOM 0 HG13 VAL A 715 -1.385 10.590 49.067 1.00 19.94 H new ATOM 0 HG21 VAL A 715 -0.639 9.528 46.407 1.00 21.37 H new ATOM 0 HG22 VAL A 715 -1.416 10.900 46.563 1.00 21.37 H new ATOM 0 HG23 VAL A 715 -0.052 10.849 45.759 1.00 21.37 H new ATOM 359 N VAL A 716 2.211 12.451 49.573 1.00 15.79 N ATOM 360 CA VAL A 716 2.788 12.709 50.884 1.00 17.70 C ATOM 361 C VAL A 716 2.617 14.180 51.271 1.00 17.88 C ATOM 362 O VAL A 716 2.239 14.485 52.396 1.00 20.23 O ATOM 363 CB VAL A 716 4.292 12.342 50.924 1.00 17.05 C ATOM 364 CG1 VAL A 716 4.889 12.736 52.267 1.00 17.25 C ATOM 365 CG2 VAL A 716 4.465 10.853 50.696 1.00 18.10 C ATOM 0 H VAL A 716 2.775 12.221 48.966 1.00 15.79 H new ATOM 0 HA VAL A 716 2.315 12.150 51.520 1.00 17.70 H new ATOM 0 HB VAL A 716 4.754 12.825 50.221 1.00 17.05 H new ATOM 0 HG11 VAL A 716 5.830 12.503 52.284 1.00 17.25 H new ATOM 0 HG12 VAL A 716 4.791 13.692 52.397 1.00 17.25 H new ATOM 0 HG13 VAL A 716 4.427 12.264 52.978 1.00 17.25 H new ATOM 0 HG21 VAL A 716 5.408 10.629 50.722 1.00 18.10 H new ATOM 0 HG22 VAL A 716 3.997 10.363 51.390 1.00 18.10 H new ATOM 0 HG23 VAL A 716 4.100 10.614 49.830 1.00 18.10 H new ATOM 366 N LYS A 717 2.883 15.088 50.335 1.00 18.41 N ATOM 367 CA LYS A 717 2.752 16.523 50.607 1.00 18.92 C ATOM 368 C LYS A 717 1.292 16.874 50.898 1.00 18.55 C ATOM 369 O LYS A 717 0.996 17.700 51.757 1.00 19.41 O ATOM 370 CB LYS A 717 3.264 17.324 49.407 1.00 21.84 C ATOM 371 CG LYS A 717 4.720 17.017 49.069 1.00 27.85 C ATOM 372 CD LYS A 717 5.121 17.523 47.691 1.00 31.19 C ATOM 373 CE LYS A 717 5.155 19.037 47.628 1.00 34.64 C ATOM 374 NZ LYS A 717 5.674 19.496 46.305 1.00 37.62 N ATOM 0 H LYS A 717 3.140 14.897 49.537 1.00 18.41 H new ATOM 0 HA LYS A 717 3.283 16.749 51.387 1.00 18.92 H new ATOM 0 HB2 LYS A 717 2.710 17.132 48.635 1.00 21.84 H new ATOM 0 HB3 LYS A 717 3.172 18.272 49.593 1.00 21.84 H new ATOM 0 HG2 LYS A 717 5.295 17.420 49.738 1.00 27.85 H new ATOM 0 HG3 LYS A 717 4.863 16.059 49.112 1.00 27.85 H new ATOM 0 HD2 LYS A 717 5.995 17.171 47.460 1.00 31.19 H new ATOM 0 HD3 LYS A 717 4.496 17.187 47.030 1.00 31.19 H new ATOM 0 HE2 LYS A 717 4.264 19.392 47.772 1.00 34.64 H new ATOM 0 HE3 LYS A 717 5.717 19.383 48.339 1.00 34.64 H new ATOM 0 HZ1 LYS A 717 5.688 20.386 46.284 1.00 37.62 H new ATOM 0 HZ2 LYS A 717 6.499 19.184 46.185 1.00 37.62 H new ATOM 0 HZ3 LYS A 717 5.145 19.192 45.657 1.00 37.62 H new ATOM 375 N TRP A 718 0.390 16.229 50.171 1.00 18.00 N ATOM 376 CA TRP A 718 -1.048 16.427 50.331 1.00 17.08 C ATOM 377 C TRP A 718 -1.514 15.893 51.690 1.00 16.97 C ATOM 378 O TRP A 718 -2.163 16.601 52.465 1.00 17.24 O ATOM 379 CB TRP A 718 -1.771 15.689 49.196 1.00 15.94 C ATOM 380 CG TRP A 718 -3.247 15.508 49.365 1.00 14.26 C ATOM 381 CD1 TRP A 718 -4.223 16.448 49.186 1.00 15.77 C ATOM 382 CD2 TRP A 718 -3.914 14.299 49.733 1.00 14.94 C ATOM 383 NE1 TRP A 718 -5.463 15.896 49.420 1.00 15.53 N ATOM 384 CE2 TRP A 718 -5.301 14.575 49.757 1.00 15.23 C ATOM 385 CE3 TRP A 718 -3.476 13.003 50.041 1.00 15.49 C ATOM 386 CZ2 TRP A 718 -6.255 13.605 50.083 1.00 15.83 C ATOM 387 CZ3 TRP A 718 -4.420 12.036 50.365 1.00 15.64 C ATOM 388 CH2 TRP A 718 -5.801 12.345 50.382 1.00 15.88 C ATOM 0 H TRP A 718 0.596 15.657 49.563 1.00 18.00 H new ATOM 0 HA TRP A 718 -1.254 17.374 50.294 1.00 17.08 H new ATOM 0 HB2 TRP A 718 -1.615 16.172 48.369 1.00 15.94 H new ATOM 0 HB3 TRP A 718 -1.366 14.814 49.094 1.00 15.94 H new ATOM 0 HD1 TRP A 718 -4.072 17.332 48.942 1.00 15.77 H new ATOM 0 HE1 TRP A 718 -6.215 16.310 49.364 1.00 15.53 H new ATOM 0 HE3 TRP A 718 -2.570 12.794 50.029 1.00 15.49 H new ATOM 0 HZ2 TRP A 718 -7.163 13.807 50.097 1.00 15.83 H new ATOM 0 HZ3 TRP A 718 -4.140 11.174 50.574 1.00 15.64 H new ATOM 0 HH2 TRP A 718 -6.414 11.680 50.600 1.00 15.88 H new ATOM 389 N ALA A 719 -1.179 14.639 51.976 1.00 17.56 N ATOM 390 CA ALA A 719 -1.582 14.013 53.231 1.00 17.27 C ATOM 391 C ALA A 719 -1.144 14.815 54.448 1.00 18.36 C ATOM 392 O ALA A 719 -1.922 15.029 55.380 1.00 17.76 O ATOM 393 CB ALA A 719 -1.018 12.591 53.313 1.00 17.22 C ATOM 0 H ALA A 719 -0.718 14.133 51.456 1.00 17.56 H new ATOM 0 HA ALA A 719 -2.552 13.984 53.238 1.00 17.27 H new ATOM 0 HB1 ALA A 719 -1.290 12.182 54.150 1.00 17.22 H new ATOM 0 HB2 ALA A 719 -1.357 12.065 52.572 1.00 17.22 H new ATOM 0 HB3 ALA A 719 -0.050 12.624 53.270 1.00 17.22 H new ATOM 394 N LYS A 720 0.106 15.257 54.442 1.00 18.21 N ATOM 395 CA LYS A 720 0.636 16.025 55.562 1.00 21.81 C ATOM 396 C LYS A 720 -0.111 17.334 55.801 1.00 20.72 C ATOM 397 O LYS A 720 -0.040 17.902 56.893 1.00 22.77 O ATOM 398 CB LYS A 720 2.120 16.331 55.348 1.00 24.70 C ATOM 399 CG LYS A 720 3.012 15.100 55.277 1.00 29.50 C ATOM 400 CD LYS A 720 4.473 15.472 55.471 1.00 32.36 C ATOM 401 CE LYS A 720 4.945 16.485 54.443 1.00 35.60 C ATOM 402 NZ LYS A 720 6.338 16.939 54.732 1.00 37.86 N ATOM 0 H LYS A 720 0.664 15.124 53.801 1.00 18.21 H new ATOM 0 HA LYS A 720 0.514 15.470 56.348 1.00 21.81 H new ATOM 0 HB2 LYS A 720 2.219 16.837 54.526 1.00 24.70 H new ATOM 0 HB3 LYS A 720 2.429 16.900 56.070 1.00 24.70 H new ATOM 0 HG2 LYS A 720 2.744 14.463 55.958 1.00 29.50 H new ATOM 0 HG3 LYS A 720 2.898 14.663 54.419 1.00 29.50 H new ATOM 0 HD2 LYS A 720 4.598 15.835 56.362 1.00 32.36 H new ATOM 0 HD3 LYS A 720 5.020 14.673 55.411 1.00 32.36 H new ATOM 0 HE2 LYS A 720 4.908 16.092 53.557 1.00 35.60 H new ATOM 0 HE3 LYS A 720 4.347 17.249 54.440 1.00 35.60 H new ATOM 0 HZ1 LYS A 720 6.485 17.720 54.332 1.00 37.86 H new ATOM 0 HZ2 LYS A 720 6.444 17.031 55.611 1.00 37.86 H new ATOM 0 HZ3 LYS A 720 6.917 16.336 54.425 1.00 37.86 H new ATOM 403 N ALA A 721 -0.819 17.813 54.785 1.00 19.27 N ATOM 404 CA ALA A 721 -1.565 19.063 54.900 1.00 18.67 C ATOM 405 C ALA A 721 -3.052 18.855 55.192 1.00 17.30 C ATOM 406 O ALA A 721 -3.819 19.816 55.274 1.00 17.32 O ATOM 407 CB ALA A 721 -1.394 19.886 53.624 1.00 17.97 C ATOM 0 H ALA A 721 -0.881 17.429 54.018 1.00 19.27 H new ATOM 0 HA ALA A 721 -1.198 19.540 55.660 1.00 18.67 H new ATOM 0 HB1 ALA A 721 -1.891 20.715 53.704 1.00 17.97 H new ATOM 0 HB2 ALA A 721 -0.454 20.085 53.490 1.00 17.97 H new ATOM 0 HB3 ALA A 721 -1.728 19.381 52.866 1.00 17.97 H new ATOM 408 N LEU A 722 -3.465 17.602 55.346 1.00 17.04 N ATOM 409 CA LEU A 722 -4.865 17.308 55.636 1.00 16.76 C ATOM 410 C LEU A 722 -5.235 17.661 57.071 1.00 17.48 C ATOM 411 O LEU A 722 -4.435 17.495 57.987 1.00 17.77 O ATOM 412 CB LEU A 722 -5.161 15.821 55.422 1.00 16.91 C ATOM 413 CG LEU A 722 -5.356 15.354 53.984 1.00 17.48 C ATOM 414 CD1 LEU A 722 -5.255 13.825 53.935 1.00 16.39 C ATOM 415 CD2 LEU A 722 -6.714 15.843 53.474 1.00 17.88 C ATOM 0 H LEU A 722 -2.956 16.912 55.287 1.00 17.04 H new ATOM 0 HA LEU A 722 -5.392 17.850 55.028 1.00 16.76 H new ATOM 0 HB2 LEU A 722 -4.433 15.310 55.809 1.00 16.91 H new ATOM 0 HB3 LEU A 722 -5.961 15.598 55.923 1.00 16.91 H new ATOM 0 HG LEU A 722 -4.667 15.723 53.410 1.00 17.48 H new ATOM 0 HD11 LEU A 722 -5.378 13.521 53.022 1.00 16.39 H new ATOM 0 HD12 LEU A 722 -4.381 13.548 54.252 1.00 16.39 H new ATOM 0 HD13 LEU A 722 -5.942 13.437 54.500 1.00 16.39 H new ATOM 0 HD21 LEU A 722 -6.842 15.548 52.559 1.00 17.88 H new ATOM 0 HD22 LEU A 722 -7.419 15.480 54.032 1.00 17.88 H new ATOM 0 HD23 LEU A 722 -6.743 16.812 53.507 1.00 17.88 H new ATOM 416 N PRO A 723 -6.462 18.154 57.283 1.00 18.63 N ATOM 417 CA PRO A 723 -6.867 18.494 58.647 1.00 18.86 C ATOM 418 C PRO A 723 -6.685 17.304 59.589 1.00 20.02 C ATOM 419 O PRO A 723 -7.157 16.203 59.306 1.00 20.07 O ATOM 420 CB PRO A 723 -8.337 18.863 58.484 1.00 17.60 C ATOM 421 CG PRO A 723 -8.373 19.480 57.133 1.00 18.18 C ATOM 422 CD PRO A 723 -7.490 18.562 56.309 1.00 18.53 C ATOM 0 HA PRO A 723 -6.340 19.207 59.039 1.00 18.86 H new ATOM 0 HB2 PRO A 723 -8.912 18.084 58.539 1.00 17.60 H new ATOM 0 HB3 PRO A 723 -8.631 19.482 59.170 1.00 17.60 H new ATOM 0 HG2 PRO A 723 -9.276 19.519 56.781 1.00 18.18 H new ATOM 0 HG3 PRO A 723 -8.033 20.388 57.145 1.00 18.18 H new ATOM 0 HD2 PRO A 723 -7.983 17.801 55.963 1.00 18.53 H new ATOM 0 HD3 PRO A 723 -7.104 19.020 55.546 1.00 18.53 H new ATOM 423 N GLY A 724 -5.985 17.533 60.695 1.00 19.61 N ATOM 424 CA GLY A 724 -5.771 16.499 61.692 1.00 20.35 C ATOM 425 C GLY A 724 -4.773 15.384 61.422 1.00 22.31 C ATOM 426 O GLY A 724 -4.541 14.555 62.298 1.00 21.32 O ATOM 0 H GLY A 724 -5.623 18.290 60.886 1.00 19.61 H new ATOM 0 HA2 GLY A 724 -5.498 16.940 62.512 1.00 20.35 H new ATOM 0 HA3 GLY A 724 -6.630 16.083 61.866 1.00 20.35 H new ATOM 427 N PHE A 725 -4.174 15.356 60.236 1.00 20.64 N ATOM 428 CA PHE A 725 -3.222 14.300 59.902 1.00 23.52 C ATOM 429 C PHE A 725 -2.027 14.231 60.851 1.00 25.58 C ATOM 430 O PHE A 725 -1.542 13.141 61.172 1.00 24.55 O ATOM 431 CB PHE A 725 -2.714 14.479 58.470 1.00 21.65 C ATOM 432 CG PHE A 725 -1.893 13.325 57.971 1.00 22.12 C ATOM 433 CD1 PHE A 725 -2.501 12.137 57.581 1.00 22.31 C ATOM 434 CD2 PHE A 725 -0.510 13.426 57.898 1.00 21.72 C ATOM 435 CE1 PHE A 725 -1.736 11.060 57.125 1.00 22.83 C ATOM 436 CE2 PHE A 725 0.261 12.361 57.445 1.00 22.08 C ATOM 437 CZ PHE A 725 -0.354 11.177 57.057 1.00 21.47 C ATOM 0 H PHE A 725 -4.303 15.935 59.613 1.00 20.64 H new ATOM 0 HA PHE A 725 -3.708 13.465 59.992 1.00 23.52 H new ATOM 0 HB2 PHE A 725 -3.473 14.604 57.879 1.00 21.65 H new ATOM 0 HB3 PHE A 725 -2.181 15.288 58.423 1.00 21.65 H new ATOM 0 HD1 PHE A 725 -3.427 12.058 57.624 1.00 22.31 H new ATOM 0 HD2 PHE A 725 -0.094 14.217 58.156 1.00 21.72 H new ATOM 0 HE1 PHE A 725 -2.151 10.268 56.868 1.00 22.83 H new ATOM 0 HE2 PHE A 725 1.187 12.441 57.402 1.00 22.08 H new ATOM 0 HZ PHE A 725 0.159 10.464 56.752 1.00 21.47 H new ATOM 438 N ARG A 726 -1.551 15.390 61.290 1.00 28.33 N ATOM 439 CA ARG A 726 -0.410 15.443 62.197 1.00 32.07 C ATOM 440 C ARG A 726 -0.729 14.911 63.588 1.00 31.70 C ATOM 441 O ARG A 726 0.180 14.674 64.381 1.00 32.61 O ATOM 442 CB ARG A 726 0.125 16.874 62.293 1.00 35.63 C ATOM 443 CG ARG A 726 0.796 17.358 61.017 1.00 40.69 C ATOM 444 CD ARG A 726 1.218 18.811 61.135 1.00 45.10 C ATOM 445 NE ARG A 726 2.207 19.022 62.189 1.00 48.51 N ATOM 446 CZ ARG A 726 3.466 18.598 62.132 1.00 50.69 C ATOM 447 NH1 ARG A 726 3.901 17.936 61.068 1.00 51.55 N ATOM 448 NH2 ARG A 726 4.292 18.835 63.143 1.00 52.36 N ATOM 0 H ARG A 726 -1.874 16.158 61.075 1.00 28.33 H new ATOM 0 HA ARG A 726 0.270 14.862 61.822 1.00 32.07 H new ATOM 0 HB2 ARG A 726 -0.607 17.471 62.511 1.00 35.63 H new ATOM 0 HB3 ARG A 726 0.761 16.926 63.024 1.00 35.63 H new ATOM 0 HG2 ARG A 726 1.572 16.808 60.828 1.00 40.69 H new ATOM 0 HG3 ARG A 726 0.187 17.255 60.269 1.00 40.69 H new ATOM 0 HD2 ARG A 726 1.584 19.108 60.287 1.00 45.10 H new ATOM 0 HD3 ARG A 726 0.437 19.358 61.314 1.00 45.10 H new ATOM 0 HE ARG A 726 1.959 19.449 62.893 1.00 48.51 H new ATOM 0 HH11 ARG A 726 3.368 17.779 60.411 1.00 51.55 H new ATOM 0 HH12 ARG A 726 4.716 17.663 61.035 1.00 51.55 H new ATOM 0 HH21 ARG A 726 4.013 19.263 63.835 1.00 52.36 H new ATOM 0 HH22 ARG A 726 5.106 18.561 63.106 1.00 52.36 H new ATOM 449 N ASN A 727 -2.012 14.723 63.890 1.00 31.25 N ATOM 450 CA ASN A 727 -2.399 14.191 65.195 1.00 32.08 C ATOM 451 C ASN A 727 -2.000 12.723 65.287 1.00 30.39 C ATOM 452 O ASN A 727 -1.880 12.167 66.381 1.00 30.03 O ATOM 453 CB ASN A 727 -3.910 14.306 65.422 1.00 35.23 C ATOM 454 CG ASN A 727 -4.371 15.738 65.603 1.00 38.64 C ATOM 455 OD1 ASN A 727 -3.670 16.556 66.197 1.00 41.67 O ATOM 456 ND2 ASN A 727 -5.565 16.042 65.107 1.00 39.84 N ATOM 0 H ASN A 727 -2.667 14.895 63.360 1.00 31.25 H new ATOM 0 HA ASN A 727 -1.943 14.711 65.875 1.00 32.08 H new ATOM 0 HB2 ASN A 727 -4.377 13.914 64.668 1.00 35.23 H new ATOM 0 HB3 ASN A 727 -4.155 13.790 66.206 1.00 35.23 H new ATOM 0 HD21 ASN A 727 -5.877 16.838 65.195 1.00 39.84 H new ATOM 0 HD22 ASN A 727 -6.026 15.442 64.698 1.00 39.84 H new ATOM 457 N LEU A 728 -1.808 12.097 64.130 1.00 28.29 N ATOM 458 CA LEU A 728 -1.428 10.692 64.073 1.00 28.06 C ATOM 459 C LEU A 728 0.027 10.497 64.461 1.00 27.80 C ATOM 460 O LEU A 728 0.871 11.356 64.207 1.00 26.55 O ATOM 461 CB LEU A 728 -1.626 10.139 62.658 1.00 27.67 C ATOM 462 CG LEU A 728 -3.018 10.135 62.027 1.00 27.03 C ATOM 463 CD1 LEU A 728 -2.917 9.558 60.620 1.00 26.93 C ATOM 464 CD2 LEU A 728 -3.980 9.312 62.867 1.00 29.33 C ATOM 0 H LEU A 728 -1.894 12.473 63.361 1.00 28.29 H new ATOM 0 HA LEU A 728 -1.995 10.218 64.701 1.00 28.06 H new ATOM 0 HB2 LEU A 728 -1.043 10.642 62.068 1.00 27.67 H new ATOM 0 HB3 LEU A 728 -1.307 9.223 62.659 1.00 27.67 H new ATOM 0 HG LEU A 728 -3.358 11.042 61.985 1.00 27.03 H new ATOM 0 HD11 LEU A 728 -3.796 9.551 60.209 1.00 26.93 H new ATOM 0 HD12 LEU A 728 -2.317 10.104 60.088 1.00 26.93 H new ATOM 0 HD13 LEU A 728 -2.574 8.652 60.666 1.00 26.93 H new ATOM 0 HD21 LEU A 728 -4.858 9.319 62.454 1.00 29.33 H new ATOM 0 HD22 LEU A 728 -3.658 8.399 62.926 1.00 29.33 H new ATOM 0 HD23 LEU A 728 -4.039 9.692 63.758 1.00 29.33 H new ATOM 465 N HIS A 729 0.320 9.363 65.085 1.00 28.60 N ATOM 466 CA HIS A 729 1.693 9.063 65.454 1.00 30.38 C ATOM 467 C HIS A 729 2.438 9.035 64.120 1.00 31.03 C ATOM 468 O HIS A 729 1.905 8.543 63.126 1.00 29.39 O ATOM 469 CB HIS A 729 1.762 7.697 66.140 1.00 31.69 C ATOM 470 CG HIS A 729 3.134 7.322 66.605 1.00 33.41 C ATOM 471 ND1 HIS A 729 4.175 7.087 65.735 1.00 34.97 N ATOM 472 CD2 HIS A 729 3.639 7.161 67.851 1.00 35.00 C ATOM 473 CE1 HIS A 729 5.265 6.797 66.425 1.00 35.43 C ATOM 474 NE2 HIS A 729 4.966 6.836 67.710 1.00 34.48 N ATOM 0 H HIS A 729 -0.255 8.761 65.301 1.00 28.60 H new ATOM 0 HA HIS A 729 2.070 9.707 66.074 1.00 30.38 H new ATOM 0 HB2 HIS A 729 1.160 7.696 66.901 1.00 31.69 H new ATOM 0 HB3 HIS A 729 1.442 7.019 65.525 1.00 31.69 H new ATOM 0 HD2 HIS A 729 3.175 7.253 68.652 1.00 35.00 H new ATOM 0 HE1 HIS A 729 6.100 6.599 66.066 1.00 35.43 H new ATOM 0 HE2 HIS A 729 5.514 6.683 68.355 1.00 34.48 H new ATOM 475 N VAL A 730 3.653 9.572 64.089 1.00 31.50 N ATOM 476 CA VAL A 730 4.425 9.610 62.852 1.00 33.19 C ATOM 477 C VAL A 730 4.538 8.248 62.167 1.00 33.01 C ATOM 478 O VAL A 730 4.516 8.160 60.937 1.00 32.81 O ATOM 479 CB VAL A 730 5.842 10.169 63.097 1.00 34.64 C ATOM 480 CG1 VAL A 730 6.643 9.207 63.957 1.00 35.66 C ATOM 481 CG2 VAL A 730 6.534 10.421 61.768 1.00 35.67 C ATOM 0 H VAL A 730 4.047 9.918 64.770 1.00 31.50 H new ATOM 0 HA VAL A 730 3.933 10.199 62.259 1.00 33.19 H new ATOM 0 HB VAL A 730 5.777 11.012 63.572 1.00 34.64 H new ATOM 0 HG11 VAL A 730 7.531 9.568 64.105 1.00 35.66 H new ATOM 0 HG12 VAL A 730 6.197 9.087 64.810 1.00 35.66 H new ATOM 0 HG13 VAL A 730 6.713 8.351 63.506 1.00 35.66 H new ATOM 0 HG21 VAL A 730 7.424 10.772 61.928 1.00 35.67 H new ATOM 0 HG22 VAL A 730 6.599 9.589 61.274 1.00 35.67 H new ATOM 0 HG23 VAL A 730 6.021 11.063 61.253 1.00 35.67 H new ATOM 482 N ASP A 731 4.659 7.185 62.956 1.00 32.08 N ATOM 483 CA ASP A 731 4.761 5.841 62.399 1.00 31.45 C ATOM 484 C ASP A 731 3.469 5.477 61.678 1.00 30.01 C ATOM 485 O ASP A 731 3.485 4.751 60.684 1.00 30.22 O ATOM 486 CB ASP A 731 5.042 4.825 63.510 1.00 34.82 C ATOM 487 CG ASP A 731 6.498 4.818 63.941 1.00 37.89 C ATOM 488 OD1 ASP A 731 7.174 5.855 63.774 1.00 40.64 O ATOM 489 OD2 ASP A 731 6.963 3.779 64.459 1.00 39.89 O ATOM 0 H ASP A 731 4.684 7.220 63.815 1.00 32.08 H new ATOM 0 HA ASP A 731 5.495 5.822 61.765 1.00 31.45 H new ATOM 0 HB2 ASP A 731 4.482 5.026 64.276 1.00 34.82 H new ATOM 0 HB3 ASP A 731 4.795 3.939 63.203 1.00 34.82 H new ATOM 490 N ASP A 732 2.353 5.995 62.180 1.00 27.79 N ATOM 491 CA ASP A 732 1.058 5.725 61.578 1.00 26.29 C ATOM 492 C ASP A 732 0.842 6.594 60.345 1.00 25.89 C ATOM 493 O ASP A 732 0.149 6.189 59.414 1.00 25.19 O ATOM 494 CB ASP A 732 -0.064 5.950 62.597 1.00 26.05 C ATOM 495 CG ASP A 732 0.013 4.982 63.768 1.00 27.40 C ATOM 496 OD1 ASP A 732 0.664 3.923 63.622 1.00 29.28 O ATOM 497 OD2 ASP A 732 -0.586 5.271 64.827 1.00 26.15 O ATOM 0 H ASP A 732 2.327 6.507 62.871 1.00 27.79 H new ATOM 0 HA ASP A 732 1.040 4.796 61.300 1.00 26.29 H new ATOM 0 HB2 ASP A 732 -0.018 6.860 62.929 1.00 26.05 H new ATOM 0 HB3 ASP A 732 -0.922 5.852 62.156 1.00 26.05 H new ATOM 498 N GLN A 733 1.430 7.786 60.342 1.00 25.38 N ATOM 499 CA GLN A 733 1.314 8.680 59.193 1.00 23.86 C ATOM 500 C GLN A 733 1.937 7.949 58.015 1.00 24.73 C ATOM 501 O GLN A 733 1.392 7.919 56.913 1.00 22.49 O ATOM 502 CB GLN A 733 2.083 9.980 59.440 1.00 24.10 C ATOM 503 CG GLN A 733 1.443 10.914 60.453 1.00 24.88 C ATOM 504 CD GLN A 733 2.259 12.175 60.670 1.00 27.46 C ATOM 505 OE1 GLN A 733 2.829 12.727 59.728 1.00 26.24 O ATOM 506 NE2 GLN A 733 2.307 12.644 61.910 1.00 28.62 N ATOM 0 H GLN A 733 1.899 8.096 60.993 1.00 25.38 H new ATOM 0 HA GLN A 733 0.385 8.908 59.031 1.00 23.86 H new ATOM 0 HB2 GLN A 733 2.978 9.760 59.742 1.00 24.10 H new ATOM 0 HB3 GLN A 733 2.176 10.451 58.597 1.00 24.10 H new ATOM 0 HG2 GLN A 733 0.553 11.155 60.151 1.00 24.88 H new ATOM 0 HG3 GLN A 733 1.339 10.449 61.298 1.00 24.88 H new ATOM 0 HE21 GLN A 733 1.896 12.231 62.542 1.00 28.62 H new ATOM 0 HE22 GLN A 733 2.749 13.361 62.082 1.00 28.62 H new ATOM 507 N MET A 734 3.095 7.354 58.276 1.00 23.90 N ATOM 508 CA MET A 734 3.838 6.600 57.278 1.00 25.24 C ATOM 509 C MET A 734 3.015 5.416 56.776 1.00 23.73 C ATOM 510 O MET A 734 2.818 5.233 55.570 1.00 21.93 O ATOM 511 CB MET A 734 5.131 6.078 57.902 1.00 29.46 C ATOM 512 CG MET A 734 6.111 5.533 56.899 1.00 36.34 C ATOM 513 SD MET A 734 7.090 6.831 56.142 1.00 43.60 S ATOM 514 CE MET A 734 8.605 5.892 55.787 1.00 41.41 C ATOM 0 H MET A 734 3.475 7.378 59.047 1.00 23.90 H new ATOM 0 HA MET A 734 4.037 7.185 56.530 1.00 25.24 H new ATOM 0 HB2 MET A 734 5.554 6.796 58.398 1.00 29.46 H new ATOM 0 HB3 MET A 734 4.914 5.381 58.541 1.00 29.46 H new ATOM 0 HG2 MET A 734 6.700 4.898 57.336 1.00 36.34 H new ATOM 0 HG3 MET A 734 5.631 5.047 56.210 1.00 36.34 H new ATOM 0 HE1 MET A 734 9.094 6.325 55.070 1.00 41.41 H new ATOM 0 HE2 MET A 734 9.159 5.859 56.582 1.00 41.41 H new ATOM 0 HE3 MET A 734 8.371 4.990 55.519 1.00 41.41 H new ATOM 515 N ALA A 735 2.545 4.612 57.722 1.00 21.85 N ATOM 516 CA ALA A 735 1.755 3.429 57.426 1.00 22.49 C ATOM 517 C ALA A 735 0.531 3.688 56.554 1.00 22.40 C ATOM 518 O ALA A 735 0.347 3.019 55.537 1.00 22.15 O ATOM 519 CB ALA A 735 1.331 2.756 58.729 1.00 22.91 C ATOM 0 H ALA A 735 2.678 4.741 58.562 1.00 21.85 H new ATOM 0 HA ALA A 735 2.330 2.847 56.906 1.00 22.49 H new ATOM 0 HB1 ALA A 735 0.804 1.967 58.529 1.00 22.91 H new ATOM 0 HB2 ALA A 735 2.119 2.499 59.232 1.00 22.91 H new ATOM 0 HB3 ALA A 735 0.800 3.374 59.255 1.00 22.91 H new ATOM 520 N VAL A 736 -0.308 4.645 56.945 1.00 21.17 N ATOM 521 CA VAL A 736 -1.512 4.925 56.168 1.00 21.16 C ATOM 522 C VAL A 736 -1.198 5.307 54.725 1.00 18.90 C ATOM 523 O VAL A 736 -1.909 4.908 53.811 1.00 19.05 O ATOM 524 CB VAL A 736 -2.393 6.028 56.828 1.00 23.83 C ATOM 525 CG1 VAL A 736 -2.976 5.506 58.133 1.00 25.25 C ATOM 526 CG2 VAL A 736 -1.583 7.286 57.073 1.00 26.16 C ATOM 0 H VAL A 736 -0.202 5.135 57.644 1.00 21.17 H new ATOM 0 HA VAL A 736 -2.015 4.096 56.157 1.00 21.16 H new ATOM 0 HB VAL A 736 -3.119 6.252 56.225 1.00 23.83 H new ATOM 0 HG11 VAL A 736 -3.524 6.195 58.541 1.00 25.25 H new ATOM 0 HG12 VAL A 736 -3.521 4.724 57.954 1.00 25.25 H new ATOM 0 HG13 VAL A 736 -2.255 5.266 58.737 1.00 25.25 H new ATOM 0 HG21 VAL A 736 -2.147 7.960 57.483 1.00 26.16 H new ATOM 0 HG22 VAL A 736 -0.841 7.083 57.663 1.00 26.16 H new ATOM 0 HG23 VAL A 736 -1.242 7.621 56.229 1.00 26.16 H new ATOM 527 N ILE A 737 -0.131 6.070 54.517 1.00 18.78 N ATOM 528 CA ILE A 737 0.244 6.454 53.161 1.00 17.80 C ATOM 529 C ILE A 737 0.710 5.211 52.398 1.00 17.40 C ATOM 530 O ILE A 737 0.298 4.979 51.263 1.00 17.11 O ATOM 531 CB ILE A 737 1.384 7.507 53.170 1.00 17.66 C ATOM 532 CG1 ILE A 737 0.861 8.832 53.736 1.00 17.28 C ATOM 533 CG2 ILE A 737 1.936 7.697 51.764 1.00 18.93 C ATOM 534 CD1 ILE A 737 1.941 9.891 53.938 1.00 19.52 C ATOM 0 H ILE A 737 0.383 6.372 55.137 1.00 18.78 H new ATOM 0 HA ILE A 737 -0.530 6.847 52.728 1.00 17.80 H new ATOM 0 HB ILE A 737 2.106 7.193 53.737 1.00 17.66 H new ATOM 0 HG12 ILE A 737 0.184 9.184 53.137 1.00 17.28 H new ATOM 0 HG13 ILE A 737 0.426 8.661 54.586 1.00 17.28 H new ATOM 0 HG21 ILE A 737 2.647 8.357 51.782 1.00 18.93 H new ATOM 0 HG22 ILE A 737 2.286 6.854 51.437 1.00 18.93 H new ATOM 0 HG23 ILE A 737 1.227 8.002 51.176 1.00 18.93 H new ATOM 0 HD11 ILE A 737 1.540 10.698 54.297 1.00 19.52 H new ATOM 0 HD12 ILE A 737 2.608 9.559 54.559 1.00 19.52 H new ATOM 0 HD13 ILE A 737 2.362 10.090 53.087 1.00 19.52 H new ATOM 535 N GLN A 738 1.564 4.410 53.035 1.00 17.52 N ATOM 536 CA GLN A 738 2.096 3.201 52.414 1.00 17.64 C ATOM 537 C GLN A 738 1.038 2.171 52.048 1.00 18.26 C ATOM 538 O GLN A 738 1.196 1.425 51.086 1.00 18.41 O ATOM 539 CB GLN A 738 3.133 2.549 53.335 1.00 20.76 C ATOM 540 CG GLN A 738 4.424 3.330 53.460 1.00 23.98 C ATOM 541 CD GLN A 738 5.331 2.778 54.545 1.00 25.55 C ATOM 542 OE1 GLN A 738 6.549 2.930 54.484 1.00 30.96 O ATOM 543 NE2 GLN A 738 4.738 2.152 55.555 1.00 25.11 N ATOM 0 H GLN A 738 1.849 4.552 53.834 1.00 17.52 H new ATOM 0 HA GLN A 738 2.502 3.491 51.582 1.00 17.64 H new ATOM 0 HB2 GLN A 738 2.745 2.440 54.217 1.00 20.76 H new ATOM 0 HB3 GLN A 738 3.334 1.660 53.002 1.00 20.76 H new ATOM 0 HG2 GLN A 738 4.893 3.314 52.611 1.00 23.98 H new ATOM 0 HG3 GLN A 738 4.220 4.258 53.654 1.00 23.98 H new ATOM 0 HE21 GLN A 738 3.883 2.064 55.564 1.00 25.11 H new ATOM 0 HE22 GLN A 738 5.209 1.834 56.200 1.00 25.11 H new ATOM 544 N TYR A 739 -0.049 2.125 52.806 1.00 16.50 N ATOM 545 CA TYR A 739 -1.089 1.152 52.513 1.00 18.45 C ATOM 546 C TYR A 739 -2.190 1.649 51.593 1.00 18.41 C ATOM 547 O TYR A 739 -2.747 0.878 50.813 1.00 18.74 O ATOM 548 CB TYR A 739 -1.735 0.646 53.808 1.00 19.60 C ATOM 549 CG TYR A 739 -0.771 -0.044 54.745 1.00 23.37 C ATOM 550 CD1 TYR A 739 0.123 -1.001 54.271 1.00 25.65 C ATOM 551 CD2 TYR A 739 -0.748 0.264 56.103 1.00 26.42 C ATOM 552 CE1 TYR A 739 1.023 -1.634 55.123 1.00 28.80 C ATOM 553 CE2 TYR A 739 0.151 -0.367 56.968 1.00 28.92 C ATOM 554 CZ TYR A 739 1.032 -1.313 56.468 1.00 29.52 C ATOM 555 OH TYR A 739 1.921 -1.940 57.314 1.00 33.61 O ATOM 0 H TYR A 739 -0.202 2.636 53.480 1.00 16.50 H new ATOM 0 HA TYR A 739 -0.628 0.440 52.042 1.00 18.45 H new ATOM 0 HB2 TYR A 739 -2.141 1.396 54.271 1.00 19.60 H new ATOM 0 HB3 TYR A 739 -2.450 0.030 53.583 1.00 19.60 H new ATOM 0 HD1 TYR A 739 0.118 -1.221 53.367 1.00 25.65 H new ATOM 0 HD2 TYR A 739 -1.339 0.898 56.439 1.00 26.42 H new ATOM 0 HE1 TYR A 739 1.615 -2.269 54.790 1.00 28.80 H new ATOM 0 HE2 TYR A 739 0.158 -0.153 57.873 1.00 28.92 H new ATOM 0 HH TYR A 739 2.689 -1.928 56.973 1.00 33.61 H new ATOM 556 N SER A 740 -2.487 2.941 51.666 1.00 17.12 N ATOM 557 CA SER A 740 -3.576 3.493 50.884 1.00 18.01 C ATOM 558 C SER A 740 -3.254 4.162 49.557 1.00 17.25 C ATOM 559 O SER A 740 -4.176 4.520 48.825 1.00 17.02 O ATOM 560 CB SER A 740 -4.340 4.492 51.742 1.00 19.61 C ATOM 561 OG SER A 740 -3.572 5.665 51.915 1.00 24.94 O ATOM 0 H SER A 740 -2.071 3.509 52.160 1.00 17.12 H new ATOM 0 HA SER A 740 -4.083 2.706 50.631 1.00 18.01 H new ATOM 0 HB2 SER A 740 -5.187 4.710 51.322 1.00 19.61 H new ATOM 0 HB3 SER A 740 -4.544 4.099 52.605 1.00 19.61 H new ATOM 0 HG SER A 740 -3.041 5.560 52.558 1.00 24.94 H new ATOM 562 N TRP A 741 -1.976 4.330 49.229 1.00 16.89 N ATOM 563 CA TRP A 741 -1.642 5.017 47.982 1.00 16.60 C ATOM 564 C TRP A 741 -2.301 4.458 46.723 1.00 16.64 C ATOM 565 O TRP A 741 -2.773 5.226 45.883 1.00 14.92 O ATOM 566 CB TRP A 741 -0.121 5.090 47.776 1.00 18.49 C ATOM 567 CG TRP A 741 0.558 3.772 47.640 1.00 19.98 C ATOM 568 CD1 TRP A 741 1.014 2.979 48.649 1.00 21.55 C ATOM 569 CD2 TRP A 741 0.841 3.076 46.420 1.00 18.78 C ATOM 570 NE1 TRP A 741 1.564 1.827 48.136 1.00 22.77 N ATOM 571 CE2 TRP A 741 1.469 1.860 46.768 1.00 20.99 C ATOM 572 CE3 TRP A 741 0.622 3.359 45.063 1.00 18.45 C ATOM 573 CZ2 TRP A 741 1.887 0.925 45.810 1.00 19.05 C ATOM 574 CZ3 TRP A 741 1.036 2.430 44.107 1.00 18.24 C ATOM 575 CH2 TRP A 741 1.661 1.225 44.489 1.00 20.37 C ATOM 0 H TRP A 741 -1.305 4.064 49.697 1.00 16.89 H new ATOM 0 HA TRP A 741 -2.014 5.905 48.101 1.00 16.60 H new ATOM 0 HB2 TRP A 741 0.060 5.616 46.981 1.00 18.49 H new ATOM 0 HB3 TRP A 741 0.271 5.565 48.525 1.00 18.49 H new ATOM 0 HD1 TRP A 741 0.961 3.186 49.554 1.00 21.55 H new ATOM 0 HE1 TRP A 741 1.911 1.190 48.598 1.00 22.77 H new ATOM 0 HE3 TRP A 741 0.209 4.151 44.805 1.00 18.45 H new ATOM 0 HZ2 TRP A 741 2.302 0.131 46.060 1.00 19.05 H new ATOM 0 HZ3 TRP A 741 0.898 2.608 43.205 1.00 18.24 H new ATOM 0 HH2 TRP A 741 1.926 0.621 43.833 1.00 20.37 H new ATOM 576 N MET A 742 -2.350 3.136 46.582 1.00 15.87 N ATOM 577 CA MET A 742 -2.951 2.548 45.390 1.00 15.67 C ATOM 578 C MET A 742 -4.402 2.979 45.248 1.00 15.97 C ATOM 579 O MET A 742 -4.809 3.470 44.200 1.00 14.92 O ATOM 580 CB MET A 742 -2.886 1.020 45.436 1.00 16.86 C ATOM 581 CG MET A 742 -3.403 0.360 44.155 1.00 16.71 C ATOM 582 SD MET A 742 -2.289 0.560 42.730 1.00 17.64 S ATOM 583 CE MET A 742 -1.042 -0.683 43.132 1.00 15.93 C ATOM 0 H MET A 742 -2.046 2.571 47.155 1.00 15.87 H new ATOM 0 HA MET A 742 -2.444 2.864 44.626 1.00 15.67 H new ATOM 0 HB2 MET A 742 -1.968 0.745 45.588 1.00 16.86 H new ATOM 0 HB3 MET A 742 -3.406 0.702 46.190 1.00 16.86 H new ATOM 0 HG2 MET A 742 -3.538 -0.586 44.320 1.00 16.71 H new ATOM 0 HG3 MET A 742 -4.269 0.736 43.934 1.00 16.71 H new ATOM 0 HE1 MET A 742 -0.170 -0.371 42.844 1.00 15.93 H new ATOM 0 HE2 MET A 742 -1.031 -0.833 44.090 1.00 15.93 H new ATOM 0 HE3 MET A 742 -1.254 -1.513 42.678 1.00 15.93 H new ATOM 584 N GLY A 743 -5.182 2.799 46.307 1.00 15.24 N ATOM 585 CA GLY A 743 -6.580 3.191 46.246 1.00 16.42 C ATOM 586 C GLY A 743 -6.744 4.674 45.960 1.00 16.27 C ATOM 587 O GLY A 743 -7.556 5.069 45.116 1.00 17.27 O ATOM 0 H GLY A 743 -4.927 2.459 47.055 1.00 15.24 H new ATOM 0 HA2 GLY A 743 -7.029 2.678 45.556 1.00 16.42 H new ATOM 0 HA3 GLY A 743 -7.013 2.975 47.087 1.00 16.42 H new ATOM 588 N LEU A 744 -5.969 5.498 46.659 1.00 15.19 N ATOM 589 CA LEU A 744 -6.036 6.948 46.476 1.00 16.62 C ATOM 590 C LEU A 744 -5.778 7.329 45.027 1.00 17.22 C ATOM 591 O LEU A 744 -6.535 8.093 44.428 1.00 17.22 O ATOM 592 CB LEU A 744 -4.998 7.650 47.360 1.00 18.58 C ATOM 593 CG LEU A 744 -5.231 7.721 48.869 1.00 19.39 C ATOM 594 CD1 LEU A 744 -3.941 8.104 49.573 1.00 17.83 C ATOM 595 CD2 LEU A 744 -6.331 8.731 49.164 1.00 20.47 C ATOM 0 H LEU A 744 -5.396 5.239 47.246 1.00 15.19 H new ATOM 0 HA LEU A 744 -6.929 7.231 46.728 1.00 16.62 H new ATOM 0 HB2 LEU A 744 -4.146 7.209 47.216 1.00 18.58 H new ATOM 0 HB3 LEU A 744 -4.905 8.559 47.036 1.00 18.58 H new ATOM 0 HG LEU A 744 -5.510 6.852 49.199 1.00 19.39 H new ATOM 0 HD11 LEU A 744 -4.095 8.148 50.530 1.00 17.83 H new ATOM 0 HD12 LEU A 744 -3.260 7.439 49.385 1.00 17.83 H new ATOM 0 HD13 LEU A 744 -3.643 8.970 49.254 1.00 17.83 H new ATOM 0 HD21 LEU A 744 -6.480 8.777 50.121 1.00 20.47 H new ATOM 0 HD22 LEU A 744 -6.065 9.604 48.836 1.00 20.47 H new ATOM 0 HD23 LEU A 744 -7.150 8.456 48.723 1.00 20.47 H new ATOM 596 N MET A 745 -4.704 6.788 44.461 1.00 15.52 N ATOM 597 CA MET A 745 -4.343 7.119 43.094 1.00 15.45 C ATOM 598 C MET A 745 -5.315 6.597 42.050 1.00 15.14 C ATOM 599 O MET A 745 -5.538 7.251 41.033 1.00 15.59 O ATOM 600 CB MET A 745 -2.932 6.624 42.794 1.00 15.92 C ATOM 601 CG MET A 745 -1.885 7.280 43.664 1.00 15.74 C ATOM 602 SD MET A 745 -0.253 6.653 43.251 1.00 17.59 S ATOM 603 CE MET A 745 0.749 7.487 44.456 1.00 19.02 C ATOM 0 H MET A 745 -4.176 6.231 44.850 1.00 15.52 H new ATOM 0 HA MET A 745 -4.383 8.086 43.032 1.00 15.45 H new ATOM 0 HB2 MET A 745 -2.897 5.663 42.921 1.00 15.92 H new ATOM 0 HB3 MET A 745 -2.725 6.794 41.862 1.00 15.92 H new ATOM 0 HG2 MET A 745 -1.910 8.242 43.542 1.00 15.74 H new ATOM 0 HG3 MET A 745 -2.078 7.108 44.599 1.00 15.74 H new ATOM 0 HE1 MET A 745 1.653 7.137 44.424 1.00 19.02 H new ATOM 0 HE2 MET A 745 0.764 8.437 44.263 1.00 19.02 H new ATOM 0 HE3 MET A 745 0.378 7.343 45.341 1.00 19.02 H new ATOM 604 N VAL A 746 -5.888 5.424 42.296 1.00 15.71 N ATOM 605 CA VAL A 746 -6.847 4.858 41.362 1.00 15.63 C ATOM 606 C VAL A 746 -8.121 5.695 41.378 1.00 16.00 C ATOM 607 O VAL A 746 -8.691 5.985 40.330 1.00 16.30 O ATOM 608 CB VAL A 746 -7.180 3.397 41.728 1.00 17.14 C ATOM 609 CG1 VAL A 746 -8.403 2.921 40.949 1.00 18.48 C ATOM 610 CG2 VAL A 746 -5.979 2.513 41.419 1.00 16.29 C ATOM 0 H VAL A 746 -5.735 4.944 42.993 1.00 15.71 H new ATOM 0 HA VAL A 746 -6.456 4.867 40.474 1.00 15.63 H new ATOM 0 HB VAL A 746 -7.382 3.342 42.675 1.00 17.14 H new ATOM 0 HG11 VAL A 746 -8.602 2.002 41.188 1.00 18.48 H new ATOM 0 HG12 VAL A 746 -9.164 3.483 41.166 1.00 18.48 H new ATOM 0 HG13 VAL A 746 -8.222 2.975 39.998 1.00 18.48 H new ATOM 0 HG21 VAL A 746 -6.186 1.594 41.648 1.00 16.29 H new ATOM 0 HG22 VAL A 746 -5.769 2.571 40.474 1.00 16.29 H new ATOM 0 HG23 VAL A 746 -5.216 2.811 41.938 1.00 16.29 H new ATOM 611 N PHE A 747 -8.554 6.093 42.570 1.00 14.76 N ATOM 612 CA PHE A 747 -9.764 6.906 42.703 1.00 15.84 C ATOM 613 C PHE A 747 -9.592 8.232 41.954 1.00 17.19 C ATOM 614 O PHE A 747 -10.470 8.654 41.195 1.00 16.98 O ATOM 615 CB PHE A 747 -10.039 7.176 44.183 1.00 14.87 C ATOM 616 CG PHE A 747 -11.410 7.732 44.462 1.00 15.45 C ATOM 617 CD1 PHE A 747 -12.542 6.946 44.272 1.00 17.51 C ATOM 618 CD2 PHE A 747 -11.563 9.018 44.973 1.00 16.03 C ATOM 619 CE1 PHE A 747 -13.816 7.434 44.593 1.00 18.25 C ATOM 620 CE2 PHE A 747 -12.829 9.516 45.298 1.00 17.88 C ATOM 621 CZ PHE A 747 -13.955 8.717 45.108 1.00 18.13 C ATOM 0 H PHE A 747 -8.165 5.905 43.313 1.00 14.76 H new ATOM 0 HA PHE A 747 -10.514 6.425 42.319 1.00 15.84 H new ATOM 0 HB2 PHE A 747 -9.929 6.349 44.679 1.00 14.87 H new ATOM 0 HB3 PHE A 747 -9.374 7.798 44.517 1.00 14.87 H new ATOM 0 HD1 PHE A 747 -12.452 6.087 43.928 1.00 17.51 H new ATOM 0 HD2 PHE A 747 -10.813 9.553 45.100 1.00 16.03 H new ATOM 0 HE1 PHE A 747 -14.566 6.901 44.462 1.00 18.25 H new ATOM 0 HE2 PHE A 747 -12.919 10.376 45.639 1.00 17.88 H new ATOM 0 HZ PHE A 747 -14.799 9.042 45.326 1.00 18.13 H new ATOM 622 N ALA A 748 -8.454 8.888 42.160 1.00 14.93 N ATOM 623 CA ALA A 748 -8.197 10.157 41.497 1.00 14.50 C ATOM 624 C ALA A 748 -8.096 9.973 39.985 1.00 15.91 C ATOM 625 O ALA A 748 -8.548 10.823 39.214 1.00 15.79 O ATOM 626 CB ALA A 748 -6.909 10.781 42.035 1.00 15.73 C ATOM 0 H ALA A 748 -7.823 8.616 42.677 1.00 14.93 H new ATOM 0 HA ALA A 748 -8.941 10.751 41.683 1.00 14.50 H new ATOM 0 HB1 ALA A 748 -6.747 11.626 41.587 1.00 15.73 H new ATOM 0 HB2 ALA A 748 -6.997 10.933 42.989 1.00 15.73 H new ATOM 0 HB3 ALA A 748 -6.165 10.180 41.871 1.00 15.73 H new ATOM 627 N MET A 749 -7.491 8.869 39.559 1.00 15.09 N ATOM 628 CA MET A 749 -7.355 8.605 38.131 1.00 14.99 C ATOM 629 C MET A 749 -8.748 8.438 37.524 1.00 16.36 C ATOM 630 O MET A 749 -9.026 8.928 36.424 1.00 16.21 O ATOM 631 CB MET A 749 -6.499 7.352 37.916 1.00 16.75 C ATOM 632 CG MET A 749 -6.133 7.067 36.460 1.00 17.77 C ATOM 633 SD MET A 749 -7.449 6.224 35.588 1.00 19.79 S ATOM 634 CE MET A 749 -7.435 4.649 36.435 1.00 23.23 C ATOM 0 H MET A 749 -7.156 8.267 40.073 1.00 15.09 H new ATOM 0 HA MET A 749 -6.911 9.347 37.691 1.00 14.99 H new ATOM 0 HB2 MET A 749 -5.681 7.442 38.430 1.00 16.75 H new ATOM 0 HB3 MET A 749 -6.975 6.586 38.273 1.00 16.75 H new ATOM 0 HG2 MET A 749 -5.931 7.902 36.009 1.00 17.77 H new ATOM 0 HG3 MET A 749 -5.328 6.526 36.430 1.00 17.77 H new ATOM 0 HE1 MET A 749 -7.583 3.936 35.795 1.00 23.23 H new ATOM 0 HE2 MET A 749 -6.576 4.522 36.868 1.00 23.23 H new ATOM 0 HE3 MET A 749 -8.138 4.634 37.103 1.00 23.23 H new ATOM 635 N GLY A 750 -9.629 7.764 38.256 1.00 16.44 N ATOM 636 CA GLY A 750 -10.988 7.566 37.774 1.00 16.14 C ATOM 637 C GLY A 750 -11.701 8.895 37.584 1.00 15.69 C ATOM 638 O GLY A 750 -12.421 9.088 36.606 1.00 15.94 O ATOM 0 H GLY A 750 -9.462 7.418 39.025 1.00 16.44 H new ATOM 0 HA2 GLY A 750 -10.969 7.083 36.933 1.00 16.14 H new ATOM 0 HA3 GLY A 750 -11.481 7.018 38.405 1.00 16.14 H new ATOM 639 N TRP A 751 -11.497 9.811 38.524 1.00 16.59 N ATOM 640 CA TRP A 751 -12.109 11.135 38.461 1.00 15.17 C ATOM 641 C TRP A 751 -11.568 11.901 37.248 1.00 16.88 C ATOM 642 O TRP A 751 -12.334 12.512 36.502 1.00 16.56 O ATOM 643 CB TRP A 751 -11.823 11.891 39.767 1.00 16.21 C ATOM 644 CG TRP A 751 -12.299 13.313 39.797 1.00 15.12 C ATOM 645 CD1 TRP A 751 -11.523 14.433 39.759 1.00 15.93 C ATOM 646 CD2 TRP A 751 -13.658 13.769 39.906 1.00 16.53 C ATOM 647 NE1 TRP A 751 -12.309 15.559 39.841 1.00 17.73 N ATOM 648 CE2 TRP A 751 -13.624 15.180 39.925 1.00 16.07 C ATOM 649 CE3 TRP A 751 -14.898 13.120 39.978 1.00 18.91 C ATOM 650 CZ2 TRP A 751 -14.783 15.959 40.028 1.00 17.53 C ATOM 651 CZ3 TRP A 751 -16.055 13.895 40.081 1.00 17.85 C ATOM 652 CH2 TRP A 751 -15.986 15.302 40.100 1.00 17.33 C ATOM 0 H TRP A 751 -11.001 9.684 39.215 1.00 16.59 H new ATOM 0 HA TRP A 751 -13.070 11.050 38.358 1.00 15.17 H new ATOM 0 HB2 TRP A 751 -12.238 11.410 40.500 1.00 16.21 H new ATOM 0 HB3 TRP A 751 -10.866 11.881 39.927 1.00 16.21 H new ATOM 0 HD1 TRP A 751 -10.596 14.436 39.688 1.00 15.93 H new ATOM 0 HE1 TRP A 751 -12.022 16.370 39.840 1.00 17.73 H new ATOM 0 HE3 TRP A 751 -14.949 12.192 39.958 1.00 18.91 H new ATOM 0 HZ2 TRP A 751 -14.739 16.888 40.047 1.00 17.53 H new ATOM 0 HZ3 TRP A 751 -16.883 13.476 40.138 1.00 17.85 H new ATOM 0 HH2 TRP A 751 -16.772 15.796 40.163 1.00 17.33 H new ATOM 653 N ARG A 752 -10.250 11.853 37.041 1.00 16.56 N ATOM 654 CA ARG A 752 -9.634 12.535 35.897 1.00 17.74 C ATOM 655 C ARG A 752 -10.175 11.987 34.584 1.00 17.55 C ATOM 656 O ARG A 752 -10.408 12.735 33.628 1.00 17.69 O ATOM 657 CB ARG A 752 -8.112 12.341 35.890 1.00 18.33 C ATOM 658 CG ARG A 752 -7.354 13.096 36.960 1.00 19.96 C ATOM 659 CD ARG A 752 -5.860 13.151 36.636 1.00 18.95 C ATOM 660 NE ARG A 752 -5.193 11.849 36.684 1.00 17.72 N ATOM 661 CZ ARG A 752 -4.815 11.233 37.803 1.00 16.04 C ATOM 662 NH1 ARG A 752 -5.038 11.789 38.988 1.00 16.73 N ATOM 663 NH2 ARG A 752 -4.185 10.065 37.736 1.00 17.74 N ATOM 0 H ARG A 752 -9.697 11.433 37.548 1.00 16.56 H new ATOM 0 HA ARG A 752 -9.849 13.477 35.984 1.00 17.74 H new ATOM 0 HB2 ARG A 752 -7.922 11.395 35.988 1.00 18.33 H new ATOM 0 HB3 ARG A 752 -7.771 12.611 35.023 1.00 18.33 H new ATOM 0 HG2 ARG A 752 -7.706 13.997 37.036 1.00 19.96 H new ATOM 0 HG3 ARG A 752 -7.487 12.666 37.820 1.00 19.96 H new ATOM 0 HD2 ARG A 752 -5.744 13.531 35.751 1.00 18.95 H new ATOM 0 HD3 ARG A 752 -5.424 13.751 37.262 1.00 18.95 H new ATOM 0 HE ARG A 752 -5.034 11.454 35.937 1.00 17.72 H new ATOM 0 HH11 ARG A 752 -5.430 12.553 39.038 1.00 16.73 H new ATOM 0 HH12 ARG A 752 -4.791 11.385 39.706 1.00 16.73 H new ATOM 0 HH21 ARG A 752 -4.022 9.708 36.971 1.00 17.74 H new ATOM 0 HH22 ARG A 752 -3.940 9.666 38.458 1.00 17.74 H new ATOM 664 N SER A 753 -10.338 10.671 34.532 1.00 17.86 N ATOM 665 CA SER A 753 -10.834 10.014 33.333 1.00 18.43 C ATOM 666 C SER A 753 -12.247 10.480 33.036 1.00 20.71 C ATOM 667 O SER A 753 -12.614 10.689 31.881 1.00 20.58 O ATOM 668 CB SER A 753 -10.812 8.499 33.521 1.00 20.08 C ATOM 669 OG SER A 753 -9.484 8.047 33.724 1.00 17.51 O ATOM 0 H SER A 753 -10.166 10.138 35.185 1.00 17.86 H new ATOM 0 HA SER A 753 -10.261 10.246 32.585 1.00 18.43 H new ATOM 0 HB2 SER A 753 -11.363 8.253 34.280 1.00 20.08 H new ATOM 0 HB3 SER A 753 -11.192 8.065 32.742 1.00 20.08 H new ATOM 0 HG SER A 753 -9.233 8.253 34.499 1.00 17.51 H new ATOM 670 N PHE A 754 -13.039 10.650 34.086 1.00 19.18 N ATOM 671 CA PHE A 754 -14.410 11.093 33.899 1.00 21.60 C ATOM 672 C PHE A 754 -14.473 12.550 33.463 1.00 22.16 C ATOM 673 O PHE A 754 -15.115 12.882 32.464 1.00 23.53 O ATOM 674 CB PHE A 754 -15.217 10.927 35.188 1.00 23.50 C ATOM 675 CG PHE A 754 -16.531 11.651 35.162 1.00 26.61 C ATOM 676 CD1 PHE A 754 -17.504 11.311 34.228 1.00 27.33 C ATOM 677 CD2 PHE A 754 -16.773 12.711 36.028 1.00 28.61 C ATOM 678 CE1 PHE A 754 -18.698 12.019 34.152 1.00 29.79 C ATOM 679 CE2 PHE A 754 -17.968 13.428 35.961 1.00 30.14 C ATOM 680 CZ PHE A 754 -18.928 13.079 35.019 1.00 29.59 C ATOM 0 H PHE A 754 -12.806 10.516 34.903 1.00 19.18 H new ATOM 0 HA PHE A 754 -14.792 10.539 33.201 1.00 21.60 H new ATOM 0 HB2 PHE A 754 -15.378 9.983 35.342 1.00 23.50 H new ATOM 0 HB3 PHE A 754 -14.691 11.251 35.936 1.00 23.50 H new ATOM 0 HD1 PHE A 754 -17.354 10.601 33.647 1.00 27.33 H new ATOM 0 HD2 PHE A 754 -16.131 12.945 36.659 1.00 28.61 H new ATOM 0 HE1 PHE A 754 -19.341 11.783 33.522 1.00 29.79 H new ATOM 0 HE2 PHE A 754 -18.121 14.136 36.544 1.00 30.14 H new ATOM 0 HZ PHE A 754 -19.725 13.556 34.969 1.00 29.59 H new ATOM 681 N THR A 755 -13.797 13.415 34.210 1.00 21.47 N ATOM 682 CA THR A 755 -13.812 14.840 33.917 1.00 22.82 C ATOM 683 C THR A 755 -13.144 15.236 32.609 1.00 21.87 C ATOM 684 O THR A 755 -13.650 16.097 31.895 1.00 22.87 O ATOM 685 CB THR A 755 -13.165 15.659 35.059 1.00 25.14 C ATOM 686 OG1 THR A 755 -11.770 15.343 35.157 1.00 25.54 O ATOM 687 CG2 THR A 755 -13.851 15.351 36.387 1.00 25.09 C ATOM 0 H THR A 755 -13.322 13.195 34.893 1.00 21.47 H new ATOM 0 HA THR A 755 -14.756 15.046 33.830 1.00 22.82 H new ATOM 0 HB THR A 755 -13.269 16.603 34.860 1.00 25.14 H new ATOM 0 HG1 THR A 755 -11.680 14.538 35.380 1.00 25.54 H new ATOM 0 HG21 THR A 755 -13.436 15.870 37.094 1.00 25.09 H new ATOM 0 HG22 THR A 755 -14.791 15.581 36.327 1.00 25.09 H new ATOM 0 HG23 THR A 755 -13.762 14.406 36.586 1.00 25.09 H new ATOM 688 N ASN A 756 -12.026 14.599 32.279 1.00 22.16 N ATOM 689 CA ASN A 756 -11.301 14.956 31.066 1.00 21.98 C ATOM 690 C ASN A 756 -11.738 14.288 29.767 1.00 22.17 C ATOM 691 O ASN A 756 -11.777 14.941 28.724 1.00 23.73 O ATOM 692 CB ASN A 756 -9.802 14.721 31.270 1.00 24.74 C ATOM 693 CG ASN A 756 -9.254 15.477 32.466 1.00 25.93 C ATOM 694 OD1 ASN A 756 -9.685 16.592 32.759 1.00 33.36 O ATOM 695 ND2 ASN A 756 -8.289 14.883 33.152 1.00 30.98 N ATOM 0 H ASN A 756 -11.673 13.963 32.739 1.00 22.16 H new ATOM 0 HA ASN A 756 -11.519 15.893 30.939 1.00 21.98 H new ATOM 0 HB2 ASN A 756 -9.639 13.772 31.388 1.00 24.74 H new ATOM 0 HB3 ASN A 756 -9.323 14.993 30.472 1.00 24.74 H new ATOM 0 HD21 ASN A 756 -7.939 15.277 33.831 1.00 30.98 H new ATOM 0 HD22 ASN A 756 -8.013 14.103 32.918 1.00 30.98 H new ATOM 696 N VAL A 757 -12.068 13.003 29.817 1.00 22.38 N ATOM 697 CA VAL A 757 -12.461 12.294 28.604 1.00 23.38 C ATOM 698 C VAL A 757 -13.741 11.476 28.706 1.00 23.73 C ATOM 699 O VAL A 757 -13.957 10.554 27.921 1.00 24.43 O ATOM 700 CB VAL A 757 -11.317 11.372 28.127 1.00 22.93 C ATOM 701 CG1 VAL A 757 -10.105 12.212 27.760 1.00 24.25 C ATOM 702 CG2 VAL A 757 -10.953 10.376 29.221 1.00 23.22 C ATOM 0 H VAL A 757 -12.072 12.527 30.533 1.00 22.38 H new ATOM 0 HA VAL A 757 -12.645 12.999 27.963 1.00 23.38 H new ATOM 0 HB VAL A 757 -11.611 10.879 27.346 1.00 22.93 H new ATOM 0 HG11 VAL A 757 -9.388 11.632 27.461 1.00 24.25 H new ATOM 0 HG12 VAL A 757 -10.341 12.827 27.048 1.00 24.25 H new ATOM 0 HG13 VAL A 757 -9.812 12.714 28.537 1.00 24.25 H new ATOM 0 HG21 VAL A 757 -10.235 9.803 28.911 1.00 23.22 H new ATOM 0 HG22 VAL A 757 -10.664 10.856 30.013 1.00 23.22 H new ATOM 0 HG23 VAL A 757 -11.728 9.834 29.437 1.00 23.22 H new ATOM 703 N ASN A 758 -14.591 11.826 29.666 1.00 24.58 N ATOM 704 CA ASN A 758 -15.860 11.134 29.874 1.00 26.71 C ATOM 705 C ASN A 758 -15.722 9.612 29.919 1.00 28.60 C ATOM 706 O ASN A 758 -16.544 8.881 29.361 1.00 28.73 O ATOM 707 CB ASN A 758 -16.868 11.543 28.791 1.00 30.09 C ATOM 708 CG ASN A 758 -18.264 11.001 29.057 1.00 32.58 C ATOM 709 OD1 ASN A 758 -18.722 10.966 30.202 1.00 33.60 O ATOM 710 ND2 ASN A 758 -18.951 10.584 27.998 1.00 36.71 N ATOM 0 H ASN A 758 -14.449 12.472 30.216 1.00 24.58 H new ATOM 0 HA ASN A 758 -16.183 11.406 30.747 1.00 26.71 H new ATOM 0 HB2 ASN A 758 -16.905 12.511 28.737 1.00 30.09 H new ATOM 0 HB3 ASN A 758 -16.559 11.223 27.929 1.00 30.09 H new ATOM 0 HD21 ASN A 758 -19.747 10.275 28.097 1.00 36.71 H new ATOM 0 HD22 ASN A 758 -18.599 10.624 27.214 1.00 36.71 H new ATOM 711 N SER A 759 -14.671 9.146 30.587 1.00 27.52 N ATOM 712 CA SER A 759 -14.413 7.717 30.748 1.00 28.35 C ATOM 713 C SER A 759 -14.110 6.959 29.459 1.00 28.18 C ATOM 714 O SER A 759 -14.106 5.727 29.452 1.00 29.45 O ATOM 715 CB SER A 759 -15.599 7.050 31.450 1.00 28.72 C ATOM 716 OG SER A 759 -15.909 7.710 32.661 1.00 31.11 O ATOM 0 H SER A 759 -14.085 9.651 30.961 1.00 27.52 H new ATOM 0 HA SER A 759 -13.604 7.668 31.282 1.00 28.35 H new ATOM 0 HB2 SER A 759 -16.373 7.060 30.865 1.00 28.72 H new ATOM 0 HB3 SER A 759 -15.391 6.120 31.629 1.00 28.72 H new ATOM 0 HG SER A 759 -15.208 7.812 33.112 1.00 31.11 H new ATOM 717 N ARG A 760 -13.854 7.680 28.374 1.00 28.12 N ATOM 718 CA ARG A 760 -13.551 7.043 27.095 1.00 28.56 C ATOM 719 C ARG A 760 -12.204 6.320 27.168 1.00 27.41 C ATOM 720 O ARG A 760 -11.984 5.317 26.488 1.00 29.00 O ATOM 721 CB ARG A 760 -13.525 8.096 25.981 1.00 31.49 C ATOM 722 CG ARG A 760 -13.214 7.546 24.597 1.00 36.01 C ATOM 723 CD ARG A 760 -13.145 8.667 23.567 1.00 39.69 C ATOM 724 NE ARG A 760 -12.238 9.727 24.002 1.00 44.26 N ATOM 725 CZ ARG A 760 -11.925 10.797 23.279 1.00 45.42 C ATOM 726 NH1 ARG A 760 -12.444 10.962 22.069 1.00 47.34 N ATOM 727 NH2 ARG A 760 -11.095 11.707 23.772 1.00 46.18 N ATOM 0 H ARG A 760 -13.850 8.540 28.355 1.00 28.12 H new ATOM 0 HA ARG A 760 -14.242 6.391 26.898 1.00 28.56 H new ATOM 0 HB2 ARG A 760 -14.386 8.542 25.953 1.00 31.49 H new ATOM 0 HB3 ARG A 760 -12.864 8.770 26.204 1.00 31.49 H new ATOM 0 HG2 ARG A 760 -12.370 7.068 24.617 1.00 36.01 H new ATOM 0 HG3 ARG A 760 -13.896 6.906 24.339 1.00 36.01 H new ATOM 0 HD2 ARG A 760 -12.846 8.310 22.716 1.00 39.69 H new ATOM 0 HD3 ARG A 760 -14.031 9.034 23.425 1.00 39.69 H new ATOM 0 HE ARG A 760 -11.882 9.653 24.781 1.00 44.26 H new ATOM 0 HH11 ARG A 760 -12.985 10.375 21.750 1.00 47.34 H new ATOM 0 HH12 ARG A 760 -12.239 11.656 21.604 1.00 47.34 H new ATOM 0 HH21 ARG A 760 -10.761 11.604 24.558 1.00 46.18 H new ATOM 0 HH22 ARG A 760 -10.891 12.400 23.306 1.00 46.18 H new ATOM 728 N MET A 761 -11.307 6.837 28.001 1.00 24.54 N ATOM 729 CA MET A 761 -9.983 6.251 28.174 1.00 21.98 C ATOM 730 C MET A 761 -9.569 6.446 29.624 1.00 20.29 C ATOM 731 O MET A 761 -10.224 7.186 30.356 1.00 18.71 O ATOM 732 CB MET A 761 -8.970 6.949 27.262 1.00 24.44 C ATOM 733 CG MET A 761 -9.252 6.800 25.771 1.00 29.01 C ATOM 734 SD MET A 761 -8.024 7.650 24.758 1.00 37.58 S ATOM 735 CE MET A 761 -8.663 9.328 24.797 1.00 36.02 C ATOM 0 H MET A 761 -11.449 7.536 28.481 1.00 24.54 H new ATOM 0 HA MET A 761 -10.008 5.309 27.945 1.00 21.98 H new ATOM 0 HB2 MET A 761 -8.950 7.893 27.483 1.00 24.44 H new ATOM 0 HB3 MET A 761 -8.086 6.595 27.449 1.00 24.44 H new ATOM 0 HG2 MET A 761 -9.265 5.858 25.538 1.00 29.01 H new ATOM 0 HG3 MET A 761 -10.133 7.154 25.573 1.00 29.01 H new ATOM 0 HE1 MET A 761 -8.028 9.926 24.373 1.00 36.02 H new ATOM 0 HE2 MET A 761 -9.508 9.364 24.322 1.00 36.02 H new ATOM 0 HE3 MET A 761 -8.799 9.601 25.718 1.00 36.02 H new ATOM 736 N LEU A 762 -8.491 5.780 30.037 1.00 17.98 N ATOM 737 CA LEU A 762 -7.988 5.922 31.400 1.00 17.05 C ATOM 738 C LEU A 762 -6.945 7.033 31.372 1.00 17.40 C ATOM 739 O LEU A 762 -5.884 6.906 30.748 1.00 16.63 O ATOM 740 CB LEU A 762 -7.366 4.613 31.896 1.00 16.75 C ATOM 741 CG LEU A 762 -8.344 3.445 32.076 1.00 17.70 C ATOM 742 CD1 LEU A 762 -7.607 2.250 32.665 1.00 18.67 C ATOM 743 CD2 LEU A 762 -9.494 3.861 32.985 1.00 16.86 C ATOM 0 H LEU A 762 -8.038 5.242 29.543 1.00 17.98 H new ATOM 0 HA LEU A 762 -8.711 6.138 32.009 1.00 17.05 H new ATOM 0 HB2 LEU A 762 -6.676 4.343 31.270 1.00 16.75 H new ATOM 0 HB3 LEU A 762 -6.928 4.782 32.745 1.00 16.75 H new ATOM 0 HG LEU A 762 -8.710 3.196 31.213 1.00 17.70 H new ATOM 0 HD11 LEU A 762 -8.226 1.512 32.779 1.00 18.67 H new ATOM 0 HD12 LEU A 762 -6.892 1.983 32.066 1.00 18.67 H new ATOM 0 HD13 LEU A 762 -7.233 2.493 33.526 1.00 18.67 H new ATOM 0 HD21 LEU A 762 -10.107 3.117 33.093 1.00 16.86 H new ATOM 0 HD22 LEU A 762 -9.144 4.120 33.852 1.00 16.86 H new ATOM 0 HD23 LEU A 762 -9.964 4.612 32.589 1.00 16.86 H new ATOM 744 N TYR A 763 -7.262 8.127 32.049 1.00 16.66 N ATOM 745 CA TYR A 763 -6.395 9.292 32.077 1.00 16.33 C ATOM 746 C TYR A 763 -5.392 9.234 33.228 1.00 14.88 C ATOM 747 O TYR A 763 -5.525 9.936 34.234 1.00 15.80 O ATOM 748 CB TYR A 763 -7.278 10.546 32.163 1.00 17.96 C ATOM 749 CG TYR A 763 -6.623 11.845 31.750 1.00 18.53 C ATOM 750 CD1 TYR A 763 -5.778 12.533 32.618 1.00 19.41 C ATOM 751 CD2 TYR A 763 -6.879 12.407 30.497 1.00 20.19 C ATOM 752 CE1 TYR A 763 -5.208 13.756 32.253 1.00 20.88 C ATOM 753 CE2 TYR A 763 -6.314 13.624 30.123 1.00 20.85 C ATOM 754 CZ TYR A 763 -5.485 14.293 31.005 1.00 21.56 C ATOM 755 OH TYR A 763 -4.956 15.515 30.652 1.00 24.42 O ATOM 0 H TYR A 763 -7.986 8.214 32.505 1.00 16.66 H new ATOM 0 HA TYR A 763 -5.865 9.316 31.265 1.00 16.33 H new ATOM 0 HB2 TYR A 763 -8.061 10.408 31.607 1.00 17.96 H new ATOM 0 HB3 TYR A 763 -7.591 10.638 33.076 1.00 17.96 H new ATOM 0 HD1 TYR A 763 -5.590 12.173 33.454 1.00 19.41 H new ATOM 0 HD2 TYR A 763 -7.437 11.960 29.902 1.00 20.19 H new ATOM 0 HE1 TYR A 763 -4.647 14.206 32.843 1.00 20.88 H new ATOM 0 HE2 TYR A 763 -6.493 13.985 29.285 1.00 20.85 H new ATOM 0 HH TYR A 763 -5.204 15.714 29.875 1.00 24.42 H new ATOM 756 N PHE A 764 -4.383 8.385 33.083 1.00 15.60 N ATOM 757 CA PHE A 764 -3.368 8.271 34.122 1.00 15.75 C ATOM 758 C PHE A 764 -2.660 9.609 34.271 1.00 14.04 C ATOM 759 O PHE A 764 -2.411 10.062 35.383 1.00 14.80 O ATOM 760 CB PHE A 764 -2.370 7.172 33.768 1.00 15.15 C ATOM 761 CG PHE A 764 -2.945 5.787 33.863 1.00 14.79 C ATOM 762 CD1 PHE A 764 -3.209 5.211 35.104 1.00 14.11 C ATOM 763 CD2 PHE A 764 -3.233 5.065 32.715 1.00 12.42 C ATOM 764 CE1 PHE A 764 -3.750 3.924 35.201 1.00 14.45 C ATOM 765 CE2 PHE A 764 -3.774 3.779 32.797 1.00 13.18 C ATOM 766 CZ PHE A 764 -4.033 3.208 34.048 1.00 15.32 C ATOM 0 H PHE A 764 -4.268 7.873 32.402 1.00 15.60 H new ATOM 0 HA PHE A 764 -3.788 8.035 34.964 1.00 15.75 H new ATOM 0 HB2 PHE A 764 -2.045 7.318 32.866 1.00 15.15 H new ATOM 0 HB3 PHE A 764 -1.604 7.238 34.360 1.00 15.15 H new ATOM 0 HD1 PHE A 764 -3.023 5.689 35.880 1.00 14.11 H new ATOM 0 HD2 PHE A 764 -3.064 5.441 31.881 1.00 12.42 H new ATOM 0 HE1 PHE A 764 -3.919 3.550 36.036 1.00 14.45 H new ATOM 0 HE2 PHE A 764 -3.962 3.303 32.020 1.00 13.18 H new ATOM 0 HZ PHE A 764 -4.393 2.353 34.106 1.00 15.32 H new ATOM 767 N ALA A 765 -2.357 10.238 33.139 1.00 15.12 N ATOM 768 CA ALA A 765 -1.695 11.537 33.117 1.00 15.37 C ATOM 769 C ALA A 765 -1.929 12.134 31.735 1.00 15.04 C ATOM 770 O ALA A 765 -2.301 11.418 30.800 1.00 16.42 O ATOM 771 CB ALA A 765 -0.200 11.377 33.376 1.00 15.08 C ATOM 0 H ALA A 765 -2.531 9.921 32.359 1.00 15.12 H new ATOM 0 HA ALA A 765 -2.052 12.116 33.809 1.00 15.37 H new ATOM 0 HB1 ALA A 765 0.227 12.248 33.358 1.00 15.08 H new ATOM 0 HB2 ALA A 765 -0.064 10.968 34.245 1.00 15.08 H new ATOM 0 HB3 ALA A 765 0.189 10.813 32.689 1.00 15.08 H new ATOM 772 N PRO A 766 -1.715 13.449 31.585 1.00 16.85 N ATOM 773 CA PRO A 766 -1.930 14.070 30.275 1.00 18.45 C ATOM 774 C PRO A 766 -1.121 13.382 29.182 1.00 18.19 C ATOM 775 O PRO A 766 -1.549 13.317 28.026 1.00 17.59 O ATOM 776 CB PRO A 766 -1.493 15.516 30.501 1.00 19.00 C ATOM 777 CG PRO A 766 -1.783 15.733 31.957 1.00 21.57 C ATOM 778 CD PRO A 766 -1.301 14.450 32.582 1.00 19.11 C ATOM 0 HA PRO A 766 -2.847 14.002 29.966 1.00 18.45 H new ATOM 0 HB2 PRO A 766 -0.553 15.643 30.299 1.00 19.00 H new ATOM 0 HB3 PRO A 766 -1.989 16.133 29.940 1.00 19.00 H new ATOM 0 HG2 PRO A 766 -1.311 16.505 32.308 1.00 21.57 H new ATOM 0 HG3 PRO A 766 -2.728 15.880 32.119 1.00 21.57 H new ATOM 0 HD2 PRO A 766 -0.341 14.451 32.718 1.00 19.11 H new ATOM 0 HD3 PRO A 766 -1.710 14.291 33.447 1.00 19.11 H new ATOM 779 N ASP A 767 0.044 12.861 29.561 1.00 17.64 N ATOM 780 CA ASP A 767 0.931 12.182 28.619 1.00 17.90 C ATOM 781 C ASP A 767 0.921 10.663 28.764 1.00 18.03 C ATOM 782 O ASP A 767 1.842 9.980 28.322 1.00 18.35 O ATOM 783 CB ASP A 767 2.361 12.709 28.784 1.00 18.87 C ATOM 784 CG ASP A 767 2.936 12.415 30.158 1.00 21.63 C ATOM 785 OD1 ASP A 767 2.145 12.246 31.114 1.00 18.79 O ATOM 786 OD2 ASP A 767 4.179 12.365 30.283 1.00 21.54 O ATOM 0 H ASP A 767 0.341 12.891 30.367 1.00 17.64 H new ATOM 0 HA ASP A 767 0.596 12.378 27.730 1.00 17.90 H new ATOM 0 HB2 ASP A 767 2.929 12.310 28.107 1.00 18.87 H new ATOM 0 HB3 ASP A 767 2.369 13.667 28.632 1.00 18.87 H new ATOM 787 N LEU A 768 -0.119 10.132 29.395 1.00 16.96 N ATOM 788 CA LEU A 768 -0.238 8.686 29.552 1.00 17.16 C ATOM 789 C LEU A 768 -1.715 8.353 29.650 1.00 17.76 C ATOM 790 O LEU A 768 -2.246 8.103 30.731 1.00 16.97 O ATOM 791 CB LEU A 768 0.510 8.197 30.799 1.00 17.97 C ATOM 792 CG LEU A 768 0.667 6.671 30.911 1.00 18.23 C ATOM 793 CD1 LEU A 768 1.401 6.137 29.687 1.00 21.79 C ATOM 794 CD2 LEU A 768 1.431 6.314 32.181 1.00 19.82 C ATOM 0 H LEU A 768 -0.763 10.587 29.738 1.00 16.96 H new ATOM 0 HA LEU A 768 0.162 8.238 28.790 1.00 17.16 H new ATOM 0 HB2 LEU A 768 1.392 8.600 30.808 1.00 17.97 H new ATOM 0 HB3 LEU A 768 0.043 8.518 31.586 1.00 17.97 H new ATOM 0 HG LEU A 768 -0.212 6.264 30.954 1.00 18.23 H new ATOM 0 HD11 LEU A 768 1.498 5.175 29.762 1.00 21.79 H new ATOM 0 HD12 LEU A 768 0.895 6.349 28.887 1.00 21.79 H new ATOM 0 HD13 LEU A 768 2.279 6.546 29.632 1.00 21.79 H new ATOM 0 HD21 LEU A 768 1.525 5.350 32.242 1.00 19.82 H new ATOM 0 HD22 LEU A 768 2.310 6.723 32.156 1.00 19.82 H new ATOM 0 HD23 LEU A 768 0.945 6.641 32.954 1.00 19.82 H new ATOM 795 N VAL A 769 -2.368 8.386 28.494 1.00 15.58 N ATOM 796 CA VAL A 769 -3.791 8.094 28.381 1.00 17.22 C ATOM 797 C VAL A 769 -3.937 6.728 27.723 1.00 17.11 C ATOM 798 O VAL A 769 -3.436 6.502 26.623 1.00 17.95 O ATOM 799 CB VAL A 769 -4.493 9.174 27.529 1.00 17.06 C ATOM 800 CG1 VAL A 769 -5.980 8.872 27.416 1.00 20.49 C ATOM 801 CG2 VAL A 769 -4.277 10.540 28.162 1.00 19.96 C ATOM 0 H VAL A 769 -1.993 8.581 27.745 1.00 15.58 H new ATOM 0 HA VAL A 769 -4.204 8.091 29.259 1.00 17.22 H new ATOM 0 HB VAL A 769 -4.113 9.174 26.637 1.00 17.06 H new ATOM 0 HG11 VAL A 769 -6.410 9.556 26.879 1.00 20.49 H new ATOM 0 HG12 VAL A 769 -6.104 8.007 26.995 1.00 20.49 H new ATOM 0 HG13 VAL A 769 -6.376 8.860 28.301 1.00 20.49 H new ATOM 0 HG21 VAL A 769 -4.718 11.218 27.627 1.00 19.96 H new ATOM 0 HG22 VAL A 769 -4.648 10.544 29.058 1.00 19.96 H new ATOM 0 HG23 VAL A 769 -3.327 10.730 28.205 1.00 19.96 H new ATOM 802 N PHE A 770 -4.630 5.821 28.398 1.00 16.45 N ATOM 803 CA PHE A 770 -4.813 4.468 27.890 1.00 16.69 C ATOM 804 C PHE A 770 -6.068 4.221 27.068 1.00 17.78 C ATOM 805 O PHE A 770 -7.183 4.396 27.560 1.00 19.24 O ATOM 806 CB PHE A 770 -4.831 3.467 29.051 1.00 16.96 C ATOM 807 CG PHE A 770 -3.481 2.927 29.438 1.00 16.45 C ATOM 808 CD1 PHE A 770 -2.351 3.734 29.430 1.00 18.31 C ATOM 809 CD2 PHE A 770 -3.362 1.612 29.879 1.00 17.60 C ATOM 810 CE1 PHE A 770 -1.120 3.239 29.861 1.00 18.49 C ATOM 811 CE2 PHE A 770 -2.136 1.107 30.313 1.00 18.27 C ATOM 812 CZ PHE A 770 -1.016 1.924 30.303 1.00 18.08 C ATOM 0 H PHE A 770 -5.005 5.970 29.157 1.00 16.45 H new ATOM 0 HA PHE A 770 -4.059 4.348 27.291 1.00 16.69 H new ATOM 0 HB2 PHE A 770 -5.228 3.896 29.825 1.00 16.96 H new ATOM 0 HB3 PHE A 770 -5.407 2.724 28.812 1.00 16.96 H new ATOM 0 HD1 PHE A 770 -2.415 4.613 29.134 1.00 18.31 H new ATOM 0 HD2 PHE A 770 -4.112 1.061 29.884 1.00 17.60 H new ATOM 0 HE1 PHE A 770 -0.369 3.788 29.853 1.00 18.49 H new ATOM 0 HE2 PHE A 770 -2.070 0.227 30.607 1.00 18.27 H new ATOM 0 HZ PHE A 770 -0.196 1.593 30.591 1.00 18.08 H new ATOM 813 N ASN A 771 -5.879 3.821 25.815 1.00 18.43 N ATOM 814 CA ASN A 771 -7.002 3.443 24.968 1.00 19.39 C ATOM 815 C ASN A 771 -7.047 1.920 25.163 1.00 19.62 C ATOM 816 O ASN A 771 -6.216 1.374 25.896 1.00 18.05 O ATOM 817 CB ASN A 771 -6.747 3.809 23.496 1.00 20.41 C ATOM 818 CG ASN A 771 -5.360 3.424 23.026 1.00 18.91 C ATOM 819 OD1 ASN A 771 -4.778 2.456 23.507 1.00 20.42 O ATOM 820 ND2 ASN A 771 -4.832 4.172 22.063 1.00 21.99 N ATOM 0 H ASN A 771 -5.109 3.762 25.437 1.00 18.43 H new ATOM 0 HA ASN A 771 -7.830 3.894 25.195 1.00 19.39 H new ATOM 0 HB2 ASN A 771 -7.407 3.368 22.939 1.00 20.41 H new ATOM 0 HB3 ASN A 771 -6.870 4.764 23.379 1.00 20.41 H new ATOM 0 HD21 ASN A 771 -4.052 3.985 21.752 1.00 21.99 H new ATOM 0 HD22 ASN A 771 -5.270 4.843 21.751 1.00 21.99 H new ATOM 821 N GLU A 772 -7.997 1.231 24.536 1.00 19.14 N ATOM 822 CA GLU A 772 -8.101 -0.215 24.703 1.00 20.23 C ATOM 823 C GLU A 772 -6.835 -0.966 24.289 1.00 19.43 C ATOM 824 O GLU A 772 -6.475 -1.968 24.904 1.00 19.35 O ATOM 825 CB GLU A 772 -9.298 -0.769 23.915 1.00 23.58 C ATOM 826 CG GLU A 772 -10.675 -0.452 24.503 1.00 27.88 C ATOM 827 CD GLU A 772 -11.294 -1.619 25.268 1.00 27.65 C ATOM 828 OE1 GLU A 772 -11.151 -2.779 24.826 1.00 27.80 O ATOM 829 OE2 GLU A 772 -11.949 -1.375 26.303 1.00 31.63 O ATOM 0 H GLU A 772 -8.586 1.578 24.014 1.00 19.14 H new ATOM 0 HA GLU A 772 -8.228 -0.362 25.653 1.00 20.23 H new ATOM 0 HB2 GLU A 772 -9.261 -0.419 23.011 1.00 23.58 H new ATOM 0 HB3 GLU A 772 -9.205 -1.732 23.850 1.00 23.58 H new ATOM 0 HG2 GLU A 772 -10.597 0.310 25.098 1.00 27.88 H new ATOM 0 HG3 GLU A 772 -11.273 -0.192 23.785 1.00 27.88 H new ATOM 830 N TYR A 773 -6.163 -0.486 23.246 1.00 19.01 N ATOM 831 CA TYR A 773 -4.945 -1.140 22.776 1.00 18.14 C ATOM 832 C TYR A 773 -3.888 -1.154 23.878 1.00 18.70 C ATOM 833 O TYR A 773 -3.226 -2.169 24.104 1.00 18.49 O ATOM 834 CB TYR A 773 -4.394 -0.420 21.544 1.00 19.26 C ATOM 835 CG TYR A 773 -3.189 -1.100 20.936 1.00 20.39 C ATOM 836 CD1 TYR A 773 -3.303 -2.347 20.324 1.00 21.52 C ATOM 837 CD2 TYR A 773 -1.936 -0.494 20.973 1.00 21.70 C ATOM 838 CE1 TYR A 773 -2.196 -2.976 19.761 1.00 22.35 C ATOM 839 CE2 TYR A 773 -0.822 -1.113 20.416 1.00 23.73 C ATOM 840 CZ TYR A 773 -0.959 -2.352 19.812 1.00 21.76 C ATOM 841 OH TYR A 773 0.142 -2.971 19.265 1.00 26.39 O ATOM 0 H TYR A 773 -6.393 0.212 22.799 1.00 19.01 H new ATOM 0 HA TYR A 773 -5.164 -2.054 22.537 1.00 18.14 H new ATOM 0 HB2 TYR A 773 -5.093 -0.358 20.875 1.00 19.26 H new ATOM 0 HB3 TYR A 773 -4.155 0.488 21.789 1.00 19.26 H new ATOM 0 HD1 TYR A 773 -4.133 -2.766 20.291 1.00 21.52 H new ATOM 0 HD2 TYR A 773 -1.842 0.338 21.377 1.00 21.70 H new ATOM 0 HE1 TYR A 773 -2.285 -3.808 19.354 1.00 22.35 H new ATOM 0 HE2 TYR A 773 0.009 -0.698 20.449 1.00 23.73 H new ATOM 0 HH TYR A 773 0.818 -2.482 19.366 1.00 26.39 H new ATOM 842 N ARG A 774 -3.733 -0.023 24.558 1.00 18.16 N ATOM 843 CA ARG A 774 -2.767 0.077 25.643 1.00 17.82 C ATOM 844 C ARG A 774 -3.197 -0.749 26.844 1.00 18.01 C ATOM 845 O ARG A 774 -2.358 -1.299 27.563 1.00 17.08 O ATOM 846 CB ARG A 774 -2.565 1.538 26.038 1.00 17.03 C ATOM 847 CG ARG A 774 -1.699 2.282 25.047 1.00 18.93 C ATOM 848 CD ARG A 774 -1.482 3.719 25.456 1.00 19.55 C ATOM 849 NE ARG A 774 -0.402 4.319 24.678 1.00 20.04 N ATOM 850 CZ ARG A 774 -0.024 5.585 24.785 1.00 21.57 C ATOM 851 NH1 ARG A 774 -0.643 6.390 25.639 1.00 20.93 N ATOM 852 NH2 ARG A 774 0.978 6.044 24.042 1.00 22.96 N ATOM 0 H ARG A 774 -4.178 0.697 24.406 1.00 18.16 H new ATOM 0 HA ARG A 774 -1.922 -0.281 25.328 1.00 17.82 H new ATOM 0 HB2 ARG A 774 -3.428 1.976 26.104 1.00 17.03 H new ATOM 0 HB3 ARG A 774 -2.157 1.580 26.917 1.00 17.03 H new ATOM 0 HG2 ARG A 774 -0.841 1.836 24.968 1.00 18.93 H new ATOM 0 HG3 ARG A 774 -2.114 2.255 24.171 1.00 18.93 H new ATOM 0 HD2 ARG A 774 -2.300 4.224 25.326 1.00 19.55 H new ATOM 0 HD3 ARG A 774 -1.269 3.763 26.401 1.00 19.55 H new ATOM 0 HE ARG A 774 0.015 3.820 24.115 1.00 20.04 H new ATOM 0 HH11 ARG A 774 -1.288 6.090 26.122 1.00 20.93 H new ATOM 0 HH12 ARG A 774 -0.399 7.212 25.710 1.00 20.93 H new ATOM 0 HH21 ARG A 774 1.381 5.520 23.492 1.00 22.96 H new ATOM 0 HH22 ARG A 774 1.223 6.865 24.111 1.00 22.96 H new ATOM 853 N MET A 775 -4.503 -0.847 27.067 1.00 17.13 N ATOM 854 CA MET A 775 -4.993 -1.651 28.178 1.00 18.16 C ATOM 855 C MET A 775 -4.566 -3.099 27.941 1.00 19.18 C ATOM 856 O MET A 775 -4.162 -3.796 28.867 1.00 20.46 O ATOM 857 CB MET A 775 -6.514 -1.561 28.272 1.00 19.42 C ATOM 858 CG MET A 775 -7.034 -0.198 28.684 1.00 19.44 C ATOM 859 SD MET A 775 -8.841 -0.192 28.733 1.00 21.28 S ATOM 860 CE MET A 775 -9.196 1.546 28.499 1.00 23.98 C ATOM 0 H MET A 775 -5.112 -0.463 26.596 1.00 17.13 H new ATOM 0 HA MET A 775 -4.622 -1.323 29.012 1.00 18.16 H new ATOM 0 HB2 MET A 775 -6.895 -1.794 27.411 1.00 19.42 H new ATOM 0 HB3 MET A 775 -6.828 -2.221 28.909 1.00 19.42 H new ATOM 0 HG2 MET A 775 -6.681 0.038 29.556 1.00 19.44 H new ATOM 0 HG3 MET A 775 -6.720 0.475 28.060 1.00 19.44 H new ATOM 0 HE1 MET A 775 -10.119 1.723 28.739 1.00 23.98 H new ATOM 0 HE2 MET A 775 -8.609 2.075 29.062 1.00 23.98 H new ATOM 0 HE3 MET A 775 -9.053 1.783 27.570 1.00 23.98 H new ATOM 861 N HIS A 776 -4.642 -3.539 26.688 1.00 18.37 N ATOM 862 CA HIS A 776 -4.254 -4.895 26.329 1.00 20.72 C ATOM 863 C HIS A 776 -2.740 -5.076 26.397 1.00 19.84 C ATOM 864 O HIS A 776 -2.246 -6.066 26.940 1.00 21.32 O ATOM 865 CB HIS A 776 -4.729 -5.224 24.910 1.00 20.72 C ATOM 866 CG HIS A 776 -4.250 -6.549 24.406 1.00 25.42 C ATOM 867 ND1 HIS A 776 -4.937 -7.727 24.625 1.00 26.92 N ATOM 868 CD2 HIS A 776 -3.139 -6.891 23.709 1.00 25.01 C ATOM 869 CE1 HIS A 776 -4.273 -8.730 24.083 1.00 25.50 C ATOM 870 NE2 HIS A 776 -3.177 -8.250 23.519 1.00 27.98 N ATOM 0 H HIS A 776 -4.918 -3.062 26.028 1.00 18.37 H new ATOM 0 HA HIS A 776 -4.671 -5.496 26.966 1.00 20.72 H new ATOM 0 HB2 HIS A 776 -5.699 -5.211 24.891 1.00 20.72 H new ATOM 0 HB3 HIS A 776 -4.425 -4.528 24.306 1.00 20.72 H new ATOM 0 HD2 HIS A 776 -2.474 -6.312 23.414 1.00 25.01 H new ATOM 0 HE1 HIS A 776 -4.532 -9.623 24.095 1.00 25.50 H new ATOM 0 HE2 HIS A 776 -2.585 -8.714 23.102 1.00 27.98 H new ATOM 871 N LYS A 777 -2.007 -4.118 25.840 1.00 21.26 N ATOM 872 CA LYS A 777 -0.544 -4.183 25.818 1.00 21.56 C ATOM 873 C LYS A 777 0.059 -4.183 27.223 1.00 20.62 C ATOM 874 O LYS A 777 1.123 -4.769 27.455 1.00 21.44 O ATOM 875 CB LYS A 777 0.019 -3.008 25.012 1.00 24.10 C ATOM 876 CG LYS A 777 1.540 -2.979 24.904 1.00 29.81 C ATOM 877 CD LYS A 777 2.085 -4.179 24.142 1.00 32.91 C ATOM 878 CE LYS A 777 1.649 -4.167 22.688 1.00 34.26 C ATOM 879 NZ LYS A 777 2.176 -5.352 21.956 1.00 36.81 N ATOM 0 H LYS A 777 -2.337 -3.417 25.467 1.00 21.26 H new ATOM 0 HA LYS A 777 -0.299 -5.022 25.396 1.00 21.56 H new ATOM 0 HB2 LYS A 777 -0.356 -3.036 24.118 1.00 24.10 H new ATOM 0 HB3 LYS A 777 -0.280 -2.180 25.419 1.00 24.10 H new ATOM 0 HG2 LYS A 777 1.816 -2.163 24.458 1.00 29.81 H new ATOM 0 HG3 LYS A 777 1.926 -2.961 25.794 1.00 29.81 H new ATOM 0 HD2 LYS A 777 3.054 -4.180 24.189 1.00 32.91 H new ATOM 0 HD3 LYS A 777 1.780 -4.997 24.565 1.00 32.91 H new ATOM 0 HE2 LYS A 777 0.680 -4.158 22.639 1.00 34.26 H new ATOM 0 HE3 LYS A 777 1.962 -3.354 22.261 1.00 34.26 H new ATOM 0 HZ1 LYS A 777 1.907 -5.321 21.108 1.00 36.81 H new ATOM 0 HZ2 LYS A 777 3.066 -5.348 21.985 1.00 36.81 H new ATOM 0 HZ3 LYS A 777 1.871 -6.096 22.337 1.00 36.81 H new ATOM 880 N SER A 778 -0.634 -3.538 28.158 1.00 19.19 N ATOM 881 CA SER A 778 -0.176 -3.443 29.544 1.00 19.05 C ATOM 882 C SER A 778 -0.306 -4.761 30.300 1.00 19.07 C ATOM 883 O SER A 778 0.217 -4.905 31.404 1.00 18.99 O ATOM 884 CB SER A 778 -0.977 -2.368 30.280 1.00 21.23 C ATOM 885 OG SER A 778 -2.292 -2.823 30.544 1.00 22.42 O ATOM 0 H SER A 778 -1.383 -3.143 28.008 1.00 19.19 H new ATOM 0 HA SER A 778 0.766 -3.212 29.514 1.00 19.05 H new ATOM 0 HB2 SER A 778 -0.534 -2.140 31.113 1.00 21.23 H new ATOM 0 HB3 SER A 778 -1.010 -1.559 29.746 1.00 21.23 H new ATOM 0 HG SER A 778 -2.661 -3.046 29.823 1.00 22.42 H new ATOM 886 N ARG A 779 -1.016 -5.718 29.707 1.00 19.85 N ATOM 887 CA ARG A 779 -1.236 -7.024 30.321 1.00 21.01 C ATOM 888 C ARG A 779 -2.108 -6.963 31.578 1.00 22.51 C ATOM 889 O ARG A 779 -2.127 -7.897 32.377 1.00 22.03 O ATOM 890 CB ARG A 779 0.105 -7.708 30.628 1.00 22.81 C ATOM 891 CG ARG A 779 0.948 -7.943 29.384 1.00 24.93 C ATOM 892 CD ARG A 779 2.266 -8.633 29.705 1.00 29.50 C ATOM 893 NE ARG A 779 3.158 -8.639 28.547 1.00 31.00 N ATOM 894 CZ ARG A 779 4.394 -9.129 28.554 1.00 31.86 C ATOM 895 NH1 ARG A 779 4.897 -9.660 29.662 1.00 33.30 N ATOM 896 NH2 ARG A 779 5.133 -9.075 27.455 1.00 33.02 N ATOM 0 H ARG A 779 -1.384 -5.627 28.935 1.00 19.85 H new ATOM 0 HA ARG A 779 -1.727 -7.553 29.672 1.00 21.01 H new ATOM 0 HB2 ARG A 779 0.606 -7.162 31.254 1.00 22.81 H new ATOM 0 HB3 ARG A 779 -0.063 -8.558 31.065 1.00 22.81 H new ATOM 0 HG2 ARG A 779 0.447 -8.483 28.753 1.00 24.93 H new ATOM 0 HG3 ARG A 779 1.126 -7.094 28.951 1.00 24.93 H new ATOM 0 HD2 ARG A 779 2.698 -8.181 30.446 1.00 29.50 H new ATOM 0 HD3 ARG A 779 2.095 -9.545 29.989 1.00 29.50 H new ATOM 0 HE ARG A 779 2.864 -8.303 27.812 1.00 31.00 H new ATOM 0 HH11 ARG A 779 4.423 -9.688 30.379 1.00 33.30 H new ATOM 0 HH12 ARG A 779 5.697 -9.976 29.663 1.00 33.30 H new ATOM 0 HH21 ARG A 779 4.813 -8.723 26.738 1.00 33.02 H new ATOM 0 HH22 ARG A 779 5.933 -9.392 27.459 1.00 33.02 H new ATOM 897 N MET A 780 -2.809 -5.850 31.763 1.00 23.50 N ATOM 898 CA MET A 780 -3.726 -5.726 32.889 1.00 23.74 C ATOM 899 C MET A 780 -5.049 -5.167 32.383 1.00 22.96 C ATOM 900 O MET A 780 -5.625 -4.242 32.951 1.00 23.12 O ATOM 901 CB MET A 780 -3.147 -4.865 34.024 1.00 27.46 C ATOM 902 CG MET A 780 -2.359 -3.648 33.619 1.00 27.60 C ATOM 903 SD MET A 780 -1.815 -2.767 35.114 1.00 33.15 S ATOM 904 CE MET A 780 -3.014 -1.478 35.177 1.00 30.57 C ATOM 0 H MET A 780 -2.769 -5.160 31.252 1.00 23.50 H new ATOM 0 HA MET A 780 -3.869 -6.606 33.272 1.00 23.74 H new ATOM 0 HB2 MET A 780 -3.881 -4.576 34.588 1.00 27.46 H new ATOM 0 HB3 MET A 780 -2.575 -5.428 34.569 1.00 27.46 H new ATOM 0 HG2 MET A 780 -1.591 -3.908 33.086 1.00 27.60 H new ATOM 0 HG3 MET A 780 -2.903 -3.065 33.067 1.00 27.60 H new ATOM 0 HE1 MET A 780 -2.842 -0.913 35.947 1.00 30.57 H new ATOM 0 HE2 MET A 780 -2.960 -0.946 34.368 1.00 30.57 H new ATOM 0 HE3 MET A 780 -3.901 -1.864 35.251 1.00 30.57 H new ATOM 905 N TYR A 781 -5.525 -5.767 31.298 1.00 21.85 N ATOM 906 CA TYR A 781 -6.772 -5.365 30.675 1.00 22.39 C ATOM 907 C TYR A 781 -7.950 -5.488 31.635 1.00 21.52 C ATOM 908 O TYR A 781 -8.756 -4.564 31.753 1.00 21.60 O ATOM 909 CB TYR A 781 -7.026 -6.209 29.419 1.00 24.32 C ATOM 910 CG TYR A 781 -8.290 -5.831 28.685 1.00 25.39 C ATOM 911 CD1 TYR A 781 -9.507 -6.444 28.985 1.00 26.64 C ATOM 912 CD2 TYR A 781 -8.277 -4.834 27.716 1.00 25.61 C ATOM 913 CE1 TYR A 781 -10.683 -6.067 28.338 1.00 26.59 C ATOM 914 CE2 TYR A 781 -9.445 -4.448 27.064 1.00 27.39 C ATOM 915 CZ TYR A 781 -10.644 -5.066 27.381 1.00 27.47 C ATOM 916 OH TYR A 781 -11.803 -4.661 26.757 1.00 27.57 O ATOM 0 H TYR A 781 -5.130 -6.421 30.903 1.00 21.85 H new ATOM 0 HA TYR A 781 -6.691 -4.431 30.427 1.00 22.39 H new ATOM 0 HB2 TYR A 781 -6.271 -6.116 28.817 1.00 24.32 H new ATOM 0 HB3 TYR A 781 -7.074 -7.144 29.671 1.00 24.32 H new ATOM 0 HD1 TYR A 781 -9.534 -7.116 29.628 1.00 26.64 H new ATOM 0 HD2 TYR A 781 -7.474 -4.418 27.500 1.00 25.61 H new ATOM 0 HE1 TYR A 781 -11.487 -6.484 28.547 1.00 26.59 H new ATOM 0 HE2 TYR A 781 -9.421 -3.779 26.419 1.00 27.39 H new ATOM 0 HH TYR A 781 -11.620 -4.091 26.168 1.00 27.57 H new ATOM 917 N SER A 782 -8.052 -6.623 32.321 1.00 21.72 N ATOM 918 CA SER A 782 -9.155 -6.835 33.258 1.00 22.68 C ATOM 919 C SER A 782 -9.216 -5.734 34.313 1.00 22.32 C ATOM 920 O SER A 782 -10.288 -5.193 34.594 1.00 23.24 O ATOM 921 CB SER A 782 -9.039 -8.208 33.938 1.00 24.85 C ATOM 922 OG SER A 782 -7.833 -8.335 34.673 1.00 30.53 O ATOM 0 H SER A 782 -7.499 -7.279 32.260 1.00 21.72 H new ATOM 0 HA SER A 782 -9.977 -6.807 32.744 1.00 22.68 H new ATOM 0 HB2 SER A 782 -9.795 -8.339 34.532 1.00 24.85 H new ATOM 0 HB3 SER A 782 -9.082 -8.906 33.266 1.00 24.85 H new ATOM 0 HG SER A 782 -7.294 -7.736 34.434 1.00 30.53 H new ATOM 923 N GLN A 783 -8.063 -5.390 34.877 1.00 20.90 N ATOM 924 CA GLN A 783 -7.998 -4.349 35.894 1.00 20.82 C ATOM 925 C GLN A 783 -8.337 -2.991 35.290 1.00 20.09 C ATOM 926 O GLN A 783 -8.990 -2.160 35.924 1.00 19.57 O ATOM 927 CB GLN A 783 -6.604 -4.310 36.529 1.00 23.19 C ATOM 928 CG GLN A 783 -6.201 -5.624 37.201 1.00 25.43 C ATOM 929 CD GLN A 783 -5.482 -6.575 36.260 1.00 28.28 C ATOM 930 OE1 GLN A 783 -5.747 -6.601 35.059 1.00 30.00 O ATOM 931 NE2 GLN A 783 -4.575 -7.377 36.810 1.00 31.55 N ATOM 0 H GLN A 783 -7.306 -5.749 34.684 1.00 20.90 H new ATOM 0 HA GLN A 783 -8.649 -4.553 36.583 1.00 20.82 H new ATOM 0 HB2 GLN A 783 -5.951 -4.091 35.845 1.00 23.19 H new ATOM 0 HB3 GLN A 783 -6.576 -3.597 37.186 1.00 23.19 H new ATOM 0 HG2 GLN A 783 -5.627 -5.431 37.959 1.00 25.43 H new ATOM 0 HG3 GLN A 783 -6.994 -6.060 37.550 1.00 25.43 H new ATOM 0 HE21 GLN A 783 -4.416 -7.331 37.654 1.00 31.55 H new ATOM 0 HE22 GLN A 783 -4.148 -7.942 36.322 1.00 31.55 H new ATOM 932 N CYS A 784 -7.902 -2.769 34.054 1.00 19.49 N ATOM 933 CA CYS A 784 -8.187 -1.510 33.390 1.00 17.64 C ATOM 934 C CYS A 784 -9.680 -1.315 33.155 1.00 18.35 C ATOM 935 O CYS A 784 -10.206 -0.236 33.388 1.00 19.63 O ATOM 936 CB CYS A 784 -7.435 -1.420 32.067 1.00 18.94 C ATOM 937 SG CYS A 784 -5.693 -1.007 32.274 1.00 19.68 S ATOM 0 H CYS A 784 -7.445 -3.330 33.589 1.00 19.49 H new ATOM 0 HA CYS A 784 -7.885 -0.801 33.979 1.00 17.64 H new ATOM 0 HB2 CYS A 784 -7.508 -2.267 31.601 1.00 18.94 H new ATOM 0 HB3 CYS A 784 -7.857 -0.750 31.506 1.00 18.94 H new ATOM 0 HG CYS A 784 -5.081 -1.993 32.581 1.00 19.68 H new ATOM 938 N VAL A 785 -10.372 -2.352 32.700 1.00 20.44 N ATOM 939 CA VAL A 785 -11.803 -2.189 32.461 1.00 21.62 C ATOM 940 C VAL A 785 -12.545 -1.918 33.773 1.00 22.82 C ATOM 941 O VAL A 785 -13.530 -1.182 33.792 1.00 22.55 O ATOM 942 CB VAL A 785 -12.401 -3.413 31.741 1.00 25.54 C ATOM 943 CG1 VAL A 785 -13.885 -3.197 31.500 1.00 26.45 C ATOM 944 CG2 VAL A 785 -11.696 -3.615 30.409 1.00 25.24 C ATOM 0 H VAL A 785 -10.050 -3.131 32.528 1.00 20.44 H new ATOM 0 HA VAL A 785 -11.916 -1.422 31.879 1.00 21.62 H new ATOM 0 HB VAL A 785 -12.278 -4.199 32.296 1.00 25.54 H new ATOM 0 HG11 VAL A 785 -14.255 -3.970 31.047 1.00 26.45 H new ATOM 0 HG12 VAL A 785 -14.336 -3.074 32.350 1.00 26.45 H new ATOM 0 HG13 VAL A 785 -14.012 -2.409 30.949 1.00 26.45 H new ATOM 0 HG21 VAL A 785 -12.073 -4.386 29.957 1.00 25.24 H new ATOM 0 HG22 VAL A 785 -11.815 -2.826 29.857 1.00 25.24 H new ATOM 0 HG23 VAL A 785 -10.750 -3.762 30.563 1.00 25.24 H new ATOM 945 N ARG A 786 -12.070 -2.488 34.874 1.00 23.25 N ATOM 946 CA ARG A 786 -12.716 -2.237 36.160 1.00 25.03 C ATOM 947 C ARG A 786 -12.491 -0.777 36.564 1.00 23.80 C ATOM 948 O ARG A 786 -13.369 -0.140 37.150 1.00 23.36 O ATOM 949 CB ARG A 786 -12.169 -3.176 37.236 1.00 27.31 C ATOM 950 CG ARG A 786 -12.516 -4.639 36.996 1.00 32.44 C ATOM 951 CD ARG A 786 -12.288 -5.480 38.243 1.00 36.87 C ATOM 952 NE ARG A 786 -13.088 -4.999 39.370 1.00 40.27 N ATOM 953 CZ ARG A 786 -13.180 -5.617 40.544 1.00 41.88 C ATOM 954 NH1 ARG A 786 -12.522 -6.748 40.759 1.00 42.62 N ATOM 955 NH2 ARG A 786 -13.933 -5.105 41.505 1.00 41.82 N ATOM 0 H ARG A 786 -11.389 -3.013 34.901 1.00 23.25 H new ATOM 0 HA ARG A 786 -13.667 -2.405 36.072 1.00 25.03 H new ATOM 0 HB2 ARG A 786 -11.204 -3.082 37.278 1.00 27.31 H new ATOM 0 HB3 ARG A 786 -12.518 -2.905 38.100 1.00 27.31 H new ATOM 0 HG2 ARG A 786 -13.443 -4.712 36.721 1.00 32.44 H new ATOM 0 HG3 ARG A 786 -11.976 -4.985 36.268 1.00 32.44 H new ATOM 0 HD2 ARG A 786 -12.514 -6.405 38.056 1.00 36.87 H new ATOM 0 HD3 ARG A 786 -11.348 -5.460 38.481 1.00 36.87 H new ATOM 0 HE ARG A 786 -13.528 -4.268 39.266 1.00 40.27 H new ATOM 0 HH11 ARG A 786 -12.033 -7.086 40.138 1.00 42.62 H new ATOM 0 HH12 ARG A 786 -12.585 -7.144 41.520 1.00 42.62 H new ATOM 0 HH21 ARG A 786 -14.363 -4.372 41.370 1.00 41.82 H new ATOM 0 HH22 ARG A 786 -13.992 -5.505 42.264 1.00 41.82 H new ATOM 956 N MET A 787 -11.316 -0.244 36.242 1.00 21.87 N ATOM 957 CA MET A 787 -11.024 1.147 36.561 1.00 21.18 C ATOM 958 C MET A 787 -11.859 2.070 35.674 1.00 20.46 C ATOM 959 O MET A 787 -12.258 3.161 36.088 1.00 20.78 O ATOM 960 CB MET A 787 -9.528 1.440 36.384 1.00 19.56 C ATOM 961 CG MET A 787 -8.660 0.796 37.454 1.00 20.03 C ATOM 962 SD MET A 787 -6.938 1.341 37.432 1.00 20.60 S ATOM 963 CE MET A 787 -6.291 0.307 36.119 1.00 19.08 C ATOM 0 H MET A 787 -10.682 -0.666 35.843 1.00 21.87 H new ATOM 0 HA MET A 787 -11.255 1.309 37.489 1.00 21.18 H new ATOM 0 HB2 MET A 787 -9.244 1.124 35.512 1.00 19.56 H new ATOM 0 HB3 MET A 787 -9.389 2.400 36.397 1.00 19.56 H new ATOM 0 HG2 MET A 787 -9.040 0.990 38.325 1.00 20.03 H new ATOM 0 HG3 MET A 787 -8.686 -0.167 37.342 1.00 20.03 H new ATOM 0 HE1 MET A 787 -5.333 0.202 36.232 1.00 19.08 H new ATOM 0 HE2 MET A 787 -6.718 -0.563 36.152 1.00 19.08 H new ATOM 0 HE3 MET A 787 -6.471 0.722 35.261 1.00 19.08 H new ATOM 964 N ARG A 788 -12.128 1.633 34.448 1.00 19.49 N ATOM 965 CA ARG A 788 -12.930 2.434 33.533 1.00 21.88 C ATOM 966 C ARG A 788 -14.369 2.442 34.044 1.00 21.80 C ATOM 967 O ARG A 788 -15.083 3.435 33.906 1.00 22.01 O ATOM 968 CB ARG A 788 -12.884 1.842 32.124 1.00 22.57 C ATOM 969 CG ARG A 788 -13.429 2.754 31.033 1.00 27.43 C ATOM 970 CD ARG A 788 -14.114 1.921 29.970 1.00 32.93 C ATOM 971 NE ARG A 788 -15.306 1.293 30.532 1.00 37.85 N ATOM 972 CZ ARG A 788 -15.826 0.144 30.114 1.00 39.34 C ATOM 973 NH1 ARG A 788 -15.263 -0.527 29.117 1.00 41.05 N ATOM 974 NH2 ARG A 788 -16.913 -0.336 30.702 1.00 40.34 N ATOM 0 H ARG A 788 -11.858 0.881 34.129 1.00 19.49 H new ATOM 0 HA ARG A 788 -12.579 3.337 33.493 1.00 21.88 H new ATOM 0 HB2 ARG A 788 -11.965 1.616 31.911 1.00 22.57 H new ATOM 0 HB3 ARG A 788 -13.388 1.013 32.118 1.00 22.57 H new ATOM 0 HG2 ARG A 788 -14.056 3.389 31.413 1.00 27.43 H new ATOM 0 HG3 ARG A 788 -12.708 3.269 30.639 1.00 27.43 H new ATOM 0 HD2 ARG A 788 -14.357 2.480 29.215 1.00 32.93 H new ATOM 0 HD3 ARG A 788 -13.506 1.242 29.637 1.00 32.93 H new ATOM 0 HE ARG A 788 -15.700 1.696 31.181 1.00 37.85 H new ATOM 0 HH11 ARG A 788 -14.556 -0.219 28.736 1.00 41.05 H new ATOM 0 HH12 ARG A 788 -15.605 -1.270 28.852 1.00 41.05 H new ATOM 0 HH21 ARG A 788 -17.278 0.096 31.350 1.00 40.34 H new ATOM 0 HH22 ARG A 788 -17.254 -1.079 30.435 1.00 40.34 H new ATOM 975 N HIS A 789 -14.784 1.328 34.639 1.00 23.18 N ATOM 976 CA HIS A 789 -16.134 1.212 35.184 1.00 24.24 C ATOM 977 C HIS A 789 -16.245 2.190 36.351 1.00 23.82 C ATOM 978 O HIS A 789 -17.247 2.896 36.500 1.00 22.56 O ATOM 979 CB HIS A 789 -16.387 -0.225 35.652 1.00 26.22 C ATOM 980 CG HIS A 789 -17.810 -0.501 36.024 1.00 29.42 C ATOM 981 ND1 HIS A 789 -18.385 -0.021 37.182 1.00 29.29 N ATOM 982 CD2 HIS A 789 -18.777 -1.201 35.386 1.00 30.92 C ATOM 983 CE1 HIS A 789 -19.645 -0.415 37.240 1.00 30.34 C ATOM 984 NE2 HIS A 789 -19.909 -1.132 36.162 1.00 30.07 N ATOM 0 H HIS A 789 -14.298 0.625 34.738 1.00 23.18 H new ATOM 0 HA HIS A 789 -16.799 1.423 34.510 1.00 24.24 H new ATOM 0 HB2 HIS A 789 -16.122 -0.836 34.947 1.00 26.22 H new ATOM 0 HB3 HIS A 789 -15.820 -0.411 36.417 1.00 26.22 H new ATOM 0 HD2 HIS A 789 -18.691 -1.646 34.574 1.00 30.92 H new ATOM 0 HE1 HIS A 789 -20.245 -0.221 37.924 1.00 30.34 H new ATOM 0 HE2 HIS A 789 -20.666 -1.496 35.976 1.00 30.07 H new ATOM 985 N LEU A 790 -15.202 2.232 37.173 1.00 23.41 N ATOM 986 CA LEU A 790 -15.161 3.150 38.306 1.00 21.83 C ATOM 987 C LEU A 790 -15.308 4.572 37.769 1.00 22.00 C ATOM 988 O LEU A 790 -16.080 5.373 38.300 1.00 19.84 O ATOM 989 CB LEU A 790 -13.827 3.017 39.048 1.00 23.53 C ATOM 990 CG LEU A 790 -13.590 3.987 40.207 1.00 24.42 C ATOM 991 CD1 LEU A 790 -14.626 3.749 41.297 1.00 27.42 C ATOM 992 CD2 LEU A 790 -12.184 3.794 40.758 1.00 24.47 C ATOM 0 H LEU A 790 -14.505 1.735 37.092 1.00 23.41 H new ATOM 0 HA LEU A 790 -15.878 2.943 38.925 1.00 21.83 H new ATOM 0 HB2 LEU A 790 -13.759 2.112 39.391 1.00 23.53 H new ATOM 0 HB3 LEU A 790 -13.110 3.131 38.405 1.00 23.53 H new ATOM 0 HG LEU A 790 -13.678 4.899 39.889 1.00 24.42 H new ATOM 0 HD11 LEU A 790 -14.472 4.366 42.030 1.00 27.42 H new ATOM 0 HD12 LEU A 790 -15.515 3.892 40.936 1.00 27.42 H new ATOM 0 HD13 LEU A 790 -14.552 2.838 41.621 1.00 27.42 H new ATOM 0 HD21 LEU A 790 -12.037 4.410 41.492 1.00 24.47 H new ATOM 0 HD22 LEU A 790 -12.083 2.883 41.075 1.00 24.47 H new ATOM 0 HD23 LEU A 790 -11.535 3.966 40.058 1.00 24.47 H new ATOM 993 N SER A 791 -14.565 4.883 36.712 1.00 19.57 N ATOM 994 CA SER A 791 -14.630 6.208 36.113 1.00 20.99 C ATOM 995 C SER A 791 -16.060 6.532 35.704 1.00 20.37 C ATOM 996 O SER A 791 -16.548 7.627 35.966 1.00 21.11 O ATOM 997 CB SER A 791 -13.722 6.291 34.886 1.00 20.43 C ATOM 998 OG SER A 791 -13.827 7.568 34.278 1.00 24.91 O ATOM 0 H SER A 791 -14.018 4.341 36.328 1.00 19.57 H new ATOM 0 HA SER A 791 -14.329 6.852 36.773 1.00 20.99 H new ATOM 0 HB2 SER A 791 -12.802 6.125 35.145 1.00 20.43 H new ATOM 0 HB3 SER A 791 -13.966 5.602 34.249 1.00 20.43 H new ATOM 0 HG SER A 791 -13.560 8.157 34.814 1.00 24.91 H new ATOM 999 N GLN A 792 -16.728 5.578 35.061 1.00 21.10 N ATOM 1000 CA GLN A 792 -18.106 5.786 34.621 1.00 21.99 C ATOM 1001 C GLN A 792 -19.053 6.087 35.779 1.00 21.43 C ATOM 1002 O GLN A 792 -19.989 6.877 35.629 1.00 21.72 O ATOM 1003 CB GLN A 792 -18.610 4.567 33.842 1.00 23.13 C ATOM 1004 CG GLN A 792 -17.953 4.400 32.478 1.00 24.85 C ATOM 1005 CD GLN A 792 -18.484 3.205 31.715 1.00 26.44 C ATOM 1006 OE1 GLN A 792 -18.269 2.061 32.104 1.00 27.64 O ATOM 1007 NE2 GLN A 792 -19.192 3.470 30.622 1.00 29.23 N ATOM 0 H GLN A 792 -16.403 4.805 34.870 1.00 21.10 H new ATOM 0 HA GLN A 792 -18.099 6.564 34.042 1.00 21.99 H new ATOM 0 HB2 GLN A 792 -18.452 3.768 34.369 1.00 23.13 H new ATOM 0 HB3 GLN A 792 -19.570 4.643 33.723 1.00 23.13 H new ATOM 0 HG2 GLN A 792 -18.097 5.203 31.954 1.00 24.85 H new ATOM 0 HG3 GLN A 792 -16.995 4.305 32.594 1.00 24.85 H new ATOM 0 HE21 GLN A 792 -19.322 4.285 30.381 1.00 29.23 H new ATOM 0 HE22 GLN A 792 -19.521 2.826 30.156 1.00 29.23 H new ATOM 1008 N GLU A 793 -18.806 5.468 36.930 1.00 21.47 N ATOM 1009 CA GLU A 793 -19.642 5.687 38.112 1.00 22.57 C ATOM 1010 C GLU A 793 -19.651 7.144 38.563 1.00 21.80 C ATOM 1011 O GLU A 793 -20.660 7.637 39.069 1.00 21.10 O ATOM 1012 CB GLU A 793 -19.172 4.794 39.263 1.00 25.51 C ATOM 1013 CG GLU A 793 -19.539 3.333 39.092 1.00 29.67 C ATOM 1014 CD GLU A 793 -20.953 3.026 39.549 1.00 34.10 C ATOM 1015 OE1 GLU A 793 -21.875 3.818 39.244 1.00 35.28 O ATOM 1016 OE2 GLU A 793 -21.141 1.984 40.209 1.00 36.09 O ATOM 0 H GLU A 793 -18.158 4.915 37.050 1.00 21.47 H new ATOM 0 HA GLU A 793 -20.550 5.455 37.862 1.00 22.57 H new ATOM 0 HB2 GLU A 793 -18.209 4.869 39.347 1.00 25.51 H new ATOM 0 HB3 GLU A 793 -19.555 5.120 40.092 1.00 25.51 H new ATOM 0 HG2 GLU A 793 -19.444 3.087 38.159 1.00 29.67 H new ATOM 0 HG3 GLU A 793 -18.915 2.786 39.594 1.00 29.67 H new ATOM 1017 N PHE A 794 -18.526 7.837 38.397 1.00 19.18 N ATOM 1018 CA PHE A 794 -18.466 9.237 38.780 1.00 19.25 C ATOM 1019 C PHE A 794 -19.525 10.004 37.995 1.00 19.92 C ATOM 1020 O PHE A 794 -20.126 10.946 38.504 1.00 20.64 O ATOM 1021 CB PHE A 794 -17.075 9.820 38.497 1.00 18.18 C ATOM 1022 CG PHE A 794 -16.040 9.443 39.520 1.00 19.12 C ATOM 1023 CD1 PHE A 794 -16.112 9.939 40.815 1.00 16.90 C ATOM 1024 CD2 PHE A 794 -14.994 8.586 39.189 1.00 19.56 C ATOM 1025 CE1 PHE A 794 -15.160 9.593 41.774 1.00 18.53 C ATOM 1026 CE2 PHE A 794 -14.034 8.231 40.140 1.00 21.45 C ATOM 1027 CZ PHE A 794 -14.120 8.738 41.437 1.00 17.24 C ATOM 0 H PHE A 794 -17.798 7.517 38.069 1.00 19.18 H new ATOM 0 HA PHE A 794 -18.635 9.317 39.732 1.00 19.25 H new ATOM 0 HB2 PHE A 794 -16.779 9.519 37.624 1.00 18.18 H new ATOM 0 HB3 PHE A 794 -17.141 10.787 38.457 1.00 18.18 H new ATOM 0 HD1 PHE A 794 -16.807 10.512 41.047 1.00 16.90 H new ATOM 0 HD2 PHE A 794 -14.934 8.246 38.325 1.00 19.56 H new ATOM 0 HE1 PHE A 794 -15.222 9.934 42.637 1.00 18.53 H new ATOM 0 HE2 PHE A 794 -13.339 7.658 39.909 1.00 21.45 H new ATOM 0 HZ PHE A 794 -13.483 8.504 42.073 1.00 17.24 H new ATOM 1028 N GLY A 795 -19.758 9.588 36.754 1.00 20.65 N ATOM 1029 CA GLY A 795 -20.754 10.251 35.930 1.00 20.13 C ATOM 1030 C GLY A 795 -22.161 9.780 36.241 1.00 21.06 C ATOM 1031 O GLY A 795 -23.074 10.591 36.403 1.00 22.64 O ATOM 0 H GLY A 795 -19.353 8.930 36.376 1.00 20.65 H new ATOM 0 HA2 GLY A 795 -20.698 11.210 36.067 1.00 20.13 H new ATOM 0 HA3 GLY A 795 -20.559 10.086 34.994 1.00 20.13 H new ATOM 1032 N TRP A 796 -22.336 8.468 36.340 1.00 21.85 N ATOM 1033 CA TRP A 796 -23.651 7.907 36.623 1.00 23.44 C ATOM 1034 C TRP A 796 -24.205 8.388 37.956 1.00 23.74 C ATOM 1035 O TRP A 796 -25.404 8.662 38.069 1.00 24.54 O ATOM 1036 CB TRP A 796 -23.596 6.377 36.602 1.00 25.20 C ATOM 1037 CG TRP A 796 -23.213 5.805 35.264 1.00 27.42 C ATOM 1038 CD1 TRP A 796 -23.407 6.380 34.038 1.00 27.62 C ATOM 1039 CD2 TRP A 796 -22.608 4.530 35.019 1.00 27.77 C ATOM 1040 NE1 TRP A 796 -22.959 5.540 33.044 1.00 29.69 N ATOM 1041 CE2 TRP A 796 -22.465 4.397 33.619 1.00 27.94 C ATOM 1042 CE3 TRP A 796 -22.175 3.485 35.846 1.00 27.45 C ATOM 1043 CZ2 TRP A 796 -21.904 3.261 33.027 1.00 29.10 C ATOM 1044 CZ3 TRP A 796 -21.616 2.351 35.255 1.00 29.68 C ATOM 1045 CH2 TRP A 796 -21.487 2.252 33.858 1.00 28.19 C ATOM 0 H TRP A 796 -21.709 7.887 36.247 1.00 21.85 H new ATOM 0 HA TRP A 796 -24.250 8.218 35.926 1.00 23.44 H new ATOM 0 HB2 TRP A 796 -22.959 6.075 37.268 1.00 25.20 H new ATOM 0 HB3 TRP A 796 -24.463 6.026 36.859 1.00 25.20 H new ATOM 0 HD1 TRP A 796 -23.787 7.217 33.897 1.00 27.62 H new ATOM 0 HE1 TRP A 796 -22.985 5.705 32.200 1.00 29.69 H new ATOM 0 HE3 TRP A 796 -22.258 3.546 36.770 1.00 27.45 H new ATOM 0 HZ2 TRP A 796 -21.817 3.192 32.104 1.00 29.10 H new ATOM 0 HZ3 TRP A 796 -21.325 1.651 35.793 1.00 29.68 H new ATOM 0 HH2 TRP A 796 -21.111 1.486 33.489 1.00 28.19 H new ATOM 1046 N LEU A 797 -23.336 8.500 38.958 1.00 20.97 N ATOM 1047 CA LEU A 797 -23.748 8.947 40.286 1.00 19.11 C ATOM 1048 C LEU A 797 -23.708 10.467 40.427 1.00 17.69 C ATOM 1049 O LEU A 797 -24.062 11.004 41.472 1.00 17.77 O ATOM 1050 CB LEU A 797 -22.852 8.317 41.359 1.00 19.62 C ATOM 1051 CG LEU A 797 -22.926 6.799 41.552 1.00 21.94 C ATOM 1052 CD1 LEU A 797 -21.852 6.345 42.530 1.00 21.98 C ATOM 1053 CD2 LEU A 797 -24.303 6.419 42.072 1.00 22.85 C ATOM 0 H LEU A 797 -22.498 8.321 38.888 1.00 20.97 H new ATOM 0 HA LEU A 797 -24.667 8.660 40.407 1.00 19.11 H new ATOM 0 HB2 LEU A 797 -21.933 8.546 41.152 1.00 19.62 H new ATOM 0 HB3 LEU A 797 -23.064 8.736 42.208 1.00 19.62 H new ATOM 0 HG LEU A 797 -22.775 6.360 40.700 1.00 21.94 H new ATOM 0 HD11 LEU A 797 -21.906 5.384 42.647 1.00 21.98 H new ATOM 0 HD12 LEU A 797 -20.977 6.580 42.182 1.00 21.98 H new ATOM 0 HD13 LEU A 797 -21.987 6.782 43.385 1.00 21.98 H new ATOM 0 HD21 LEU A 797 -24.349 5.458 42.194 1.00 22.85 H new ATOM 0 HD22 LEU A 797 -24.462 6.860 42.921 1.00 22.85 H new ATOM 0 HD23 LEU A 797 -24.978 6.696 41.433 1.00 22.85 H new ATOM 1054 N GLN A 798 -23.282 11.156 39.371 1.00 17.92 N ATOM 1055 CA GLN A 798 -23.185 12.610 39.398 1.00 17.45 C ATOM 1056 C GLN A 798 -22.397 13.071 40.623 1.00 17.24 C ATOM 1057 O GLN A 798 -22.830 13.944 41.377 1.00 17.97 O ATOM 1058 CB GLN A 798 -24.583 13.248 39.396 1.00 18.83 C ATOM 1059 CG GLN A 798 -25.388 12.939 38.142 1.00 20.49 C ATOM 1060 CD GLN A 798 -26.774 13.561 38.158 1.00 23.49 C ATOM 1061 OE1 GLN A 798 -27.676 13.107 37.450 1.00 26.87 O ATOM 1062 NE2 GLN A 798 -26.949 14.605 38.959 1.00 23.48 N ATOM 0 H GLN A 798 -23.044 10.797 38.627 1.00 17.92 H new ATOM 0 HA GLN A 798 -22.715 12.897 38.599 1.00 17.45 H new ATOM 0 HB2 GLN A 798 -25.074 12.936 40.172 1.00 18.83 H new ATOM 0 HB3 GLN A 798 -24.492 14.210 39.485 1.00 18.83 H new ATOM 0 HG2 GLN A 798 -24.904 13.260 37.365 1.00 20.49 H new ATOM 0 HG3 GLN A 798 -25.472 11.977 38.046 1.00 20.49 H new ATOM 0 HE21 GLN A 798 -26.296 14.893 39.438 1.00 23.48 H new ATOM 0 HE22 GLN A 798 -27.716 14.993 38.999 1.00 23.48 H new ATOM 1063 N ILE A 799 -21.229 12.467 40.813 1.00 16.99 N ATOM 1064 CA ILE A 799 -20.364 12.833 41.922 1.00 16.60 C ATOM 1065 C ILE A 799 -19.909 14.284 41.728 1.00 16.91 C ATOM 1066 O ILE A 799 -19.468 14.668 40.639 1.00 18.00 O ATOM 1067 CB ILE A 799 -19.127 11.905 41.980 1.00 16.63 C ATOM 1068 CG1 ILE A 799 -19.566 10.452 42.194 1.00 15.79 C ATOM 1069 CG2 ILE A 799 -18.189 12.358 43.093 1.00 15.87 C ATOM 1070 CD1 ILE A 799 -20.267 10.184 43.522 1.00 19.06 C ATOM 0 H ILE A 799 -20.921 11.842 40.309 1.00 16.99 H new ATOM 0 HA ILE A 799 -20.853 12.740 42.754 1.00 16.60 H new ATOM 0 HB ILE A 799 -18.650 11.957 41.137 1.00 16.63 H new ATOM 0 HG12 ILE A 799 -20.161 10.198 41.472 1.00 15.79 H new ATOM 0 HG13 ILE A 799 -18.785 9.879 42.134 1.00 15.79 H new ATOM 0 HG21 ILE A 799 -17.416 11.772 43.124 1.00 15.87 H new ATOM 0 HG22 ILE A 799 -17.898 13.267 42.921 1.00 15.87 H new ATOM 0 HG23 ILE A 799 -18.655 12.323 43.943 1.00 15.87 H new ATOM 0 HD11 ILE A 799 -20.510 9.247 43.576 1.00 19.06 H new ATOM 0 HD12 ILE A 799 -19.670 10.406 44.254 1.00 19.06 H new ATOM 0 HD13 ILE A 799 -21.067 10.729 43.581 1.00 19.06 H new ATOM 1071 N THR A 800 -20.034 15.095 42.775 1.00 16.95 N ATOM 1072 CA THR A 800 -19.629 16.492 42.695 1.00 17.12 C ATOM 1073 C THR A 800 -18.147 16.594 43.027 1.00 16.78 C ATOM 1074 O THR A 800 -17.587 15.698 43.664 1.00 16.59 O ATOM 1075 CB THR A 800 -20.401 17.359 43.699 1.00 16.90 C ATOM 1076 OG1 THR A 800 -19.926 17.089 45.025 1.00 18.94 O ATOM 1077 CG2 THR A 800 -21.885 17.052 43.633 1.00 18.13 C ATOM 0 H THR A 800 -20.350 14.856 43.538 1.00 16.95 H new ATOM 0 HA THR A 800 -19.815 16.809 41.797 1.00 17.12 H new ATOM 0 HB THR A 800 -20.260 18.293 43.477 1.00 16.90 H new ATOM 0 HG1 THR A 800 -20.336 17.575 45.574 1.00 18.94 H new ATOM 0 HG21 THR A 800 -22.359 17.607 44.272 1.00 18.13 H new ATOM 0 HG22 THR A 800 -22.214 17.236 42.739 1.00 18.13 H new ATOM 0 HG23 THR A 800 -22.032 16.117 43.845 1.00 18.13 H new ATOM 1078 N PRO A 801 -17.495 17.690 42.608 1.00 15.68 N ATOM 1079 CA PRO A 801 -16.066 17.860 42.891 1.00 16.54 C ATOM 1080 C PRO A 801 -15.772 17.813 44.386 1.00 17.25 C ATOM 1081 O PRO A 801 -14.721 17.324 44.805 1.00 18.34 O ATOM 1082 CB PRO A 801 -15.757 19.226 42.291 1.00 17.97 C ATOM 1083 CG PRO A 801 -16.706 19.308 41.138 1.00 16.57 C ATOM 1084 CD PRO A 801 -17.991 18.779 41.744 1.00 17.48 C ATOM 0 HA PRO A 801 -15.519 17.151 42.518 1.00 16.54 H new ATOM 0 HB2 PRO A 801 -15.905 19.941 42.930 1.00 17.97 H new ATOM 0 HB3 PRO A 801 -14.833 19.291 42.002 1.00 17.97 H new ATOM 0 HG2 PRO A 801 -16.805 20.217 40.814 1.00 16.57 H new ATOM 0 HG3 PRO A 801 -16.411 18.770 40.387 1.00 16.57 H new ATOM 0 HD2 PRO A 801 -18.461 19.460 42.251 1.00 17.48 H new ATOM 0 HD3 PRO A 801 -18.605 18.455 41.067 1.00 17.48 H new ATOM 1085 N GLN A 802 -16.706 18.329 45.182 1.00 16.47 N ATOM 1086 CA GLN A 802 -16.552 18.352 46.631 1.00 16.64 C ATOM 1087 C GLN A 802 -16.720 16.965 47.249 1.00 16.48 C ATOM 1088 O GLN A 802 -16.031 16.630 48.212 1.00 15.37 O ATOM 1089 CB GLN A 802 -17.546 19.339 47.254 1.00 17.43 C ATOM 1090 CG GLN A 802 -17.302 20.803 46.872 1.00 19.75 C ATOM 1091 CD GLN A 802 -17.536 21.071 45.395 1.00 18.63 C ATOM 1092 OE1 GLN A 802 -18.546 20.652 44.835 1.00 19.99 O ATOM 1093 NE2 GLN A 802 -16.609 21.780 44.763 1.00 19.60 N ATOM 0 H GLN A 802 -17.441 18.673 44.898 1.00 16.47 H new ATOM 0 HA GLN A 802 -15.647 18.645 46.823 1.00 16.64 H new ATOM 0 HB2 GLN A 802 -18.444 19.091 46.985 1.00 17.43 H new ATOM 0 HB3 GLN A 802 -17.506 19.256 48.220 1.00 17.43 H new ATOM 0 HG2 GLN A 802 -17.887 21.372 47.397 1.00 19.75 H new ATOM 0 HG3 GLN A 802 -16.391 21.045 47.100 1.00 19.75 H new ATOM 0 HE21 GLN A 802 -15.915 22.057 45.189 1.00 19.60 H new ATOM 0 HE22 GLN A 802 -16.703 21.963 43.928 1.00 19.60 H new ATOM 1094 N GLU A 803 -17.640 16.163 46.713 1.00 16.61 N ATOM 1095 CA GLU A 803 -17.821 14.806 47.229 1.00 16.02 C ATOM 1096 C GLU A 803 -16.562 14.033 46.874 1.00 15.89 C ATOM 1097 O GLU A 803 -16.073 13.236 47.671 1.00 15.58 O ATOM 1098 CB GLU A 803 -19.041 14.117 46.604 1.00 17.25 C ATOM 1099 CG GLU A 803 -20.381 14.693 47.047 1.00 19.43 C ATOM 1100 CD GLU A 803 -21.551 14.092 46.287 1.00 20.93 C ATOM 1101 OE1 GLU A 803 -21.393 13.812 45.081 1.00 19.08 O ATOM 1102 OE2 GLU A 803 -22.635 13.914 46.890 1.00 21.37 O ATOM 0 H GLU A 803 -18.160 16.379 46.063 1.00 16.61 H new ATOM 0 HA GLU A 803 -17.972 14.835 48.187 1.00 16.02 H new ATOM 0 HB2 GLU A 803 -18.976 14.181 45.638 1.00 17.25 H new ATOM 0 HB3 GLU A 803 -19.016 13.173 46.828 1.00 17.25 H new ATOM 0 HG2 GLU A 803 -20.500 14.534 47.997 1.00 19.43 H new ATOM 0 HG3 GLU A 803 -20.375 15.654 46.918 1.00 19.43 H new ATOM 1103 N PHE A 804 -16.044 14.272 45.673 1.00 15.90 N ATOM 1104 CA PHE A 804 -14.822 13.604 45.244 1.00 16.05 C ATOM 1105 C PHE A 804 -13.680 13.918 46.214 1.00 15.73 C ATOM 1106 O PHE A 804 -12.963 13.018 46.658 1.00 14.75 O ATOM 1107 CB PHE A 804 -14.418 14.053 43.832 1.00 14.61 C ATOM 1108 CG PHE A 804 -12.985 13.732 43.490 1.00 15.70 C ATOM 1109 CD1 PHE A 804 -12.584 12.421 43.278 1.00 14.74 C ATOM 1110 CD2 PHE A 804 -12.028 14.745 43.436 1.00 15.25 C ATOM 1111 CE1 PHE A 804 -11.242 12.116 43.019 1.00 17.72 C ATOM 1112 CE2 PHE A 804 -10.689 14.454 43.178 1.00 15.55 C ATOM 1113 CZ PHE A 804 -10.296 13.138 42.971 1.00 15.33 C ATOM 0 H PHE A 804 -16.382 14.813 45.096 1.00 15.90 H new ATOM 0 HA PHE A 804 -14.992 12.649 45.235 1.00 16.05 H new ATOM 0 HB2 PHE A 804 -15.001 13.627 43.185 1.00 14.61 H new ATOM 0 HB3 PHE A 804 -14.556 15.010 43.752 1.00 14.61 H new ATOM 0 HD1 PHE A 804 -13.213 11.737 43.308 1.00 14.74 H new ATOM 0 HD2 PHE A 804 -12.287 15.628 43.574 1.00 15.25 H new ATOM 0 HE1 PHE A 804 -10.983 11.234 42.879 1.00 17.72 H new ATOM 0 HE2 PHE A 804 -10.061 15.139 43.145 1.00 15.55 H new ATOM 0 HZ PHE A 804 -9.404 12.939 42.801 1.00 15.33 H new ATOM 1114 N LEU A 805 -13.507 15.193 46.546 1.00 15.38 N ATOM 1115 CA LEU A 805 -12.429 15.582 47.452 1.00 15.08 C ATOM 1116 C LEU A 805 -12.547 14.924 48.824 1.00 15.65 C ATOM 1117 O LEU A 805 -11.559 14.429 49.369 1.00 15.75 O ATOM 1118 CB LEU A 805 -12.388 17.101 47.622 1.00 16.51 C ATOM 1119 CG LEU A 805 -11.980 17.921 46.393 1.00 16.63 C ATOM 1120 CD1 LEU A 805 -12.114 19.396 46.718 1.00 19.06 C ATOM 1121 CD2 LEU A 805 -10.546 17.591 45.987 1.00 17.66 C ATOM 0 H LEU A 805 -13.995 15.842 46.263 1.00 15.38 H new ATOM 0 HA LEU A 805 -11.605 15.273 47.044 1.00 15.08 H new ATOM 0 HB2 LEU A 805 -13.267 17.398 47.906 1.00 16.51 H new ATOM 0 HB3 LEU A 805 -11.772 17.308 48.342 1.00 16.51 H new ATOM 0 HG LEU A 805 -12.561 17.701 45.648 1.00 16.63 H new ATOM 0 HD11 LEU A 805 -11.857 19.923 45.945 1.00 19.06 H new ATOM 0 HD12 LEU A 805 -13.034 19.594 46.952 1.00 19.06 H new ATOM 0 HD13 LEU A 805 -11.536 19.617 47.465 1.00 19.06 H new ATOM 0 HD21 LEU A 805 -10.301 18.116 45.209 1.00 17.66 H new ATOM 0 HD22 LEU A 805 -9.946 17.800 46.720 1.00 17.66 H new ATOM 0 HD23 LEU A 805 -10.479 16.647 45.774 1.00 17.66 H new ATOM 1122 N CYS A 806 -13.749 14.914 49.391 1.00 15.82 N ATOM 1123 CA CYS A 806 -13.934 14.314 50.710 1.00 17.10 C ATOM 1124 C CYS A 806 -13.739 12.810 50.699 1.00 15.55 C ATOM 1125 O CYS A 806 -13.163 12.247 51.623 1.00 16.84 O ATOM 1126 CB CYS A 806 -15.324 14.634 51.252 1.00 18.46 C ATOM 1127 SG ACYS A 806 -15.469 14.352 53.041 0.50 13.45 S ATOM 1128 SG BCYS A 806 -15.658 16.382 51.508 0.50 28.18 S ATOM 0 H CYS A 806 -14.460 15.243 49.037 1.00 15.82 H new ATOM 0 HA CYS A 806 -13.254 14.699 51.285 1.00 17.10 H new ATOM 0 HB2ACYS A 806 -15.537 15.560 51.057 0.50 18.46 H new ATOM 0 HB2BCYS A 806 -15.985 14.279 50.637 0.50 18.46 H new ATOM 0 HB3ACYS A 806 -15.980 14.089 50.789 0.50 18.46 H new ATOM 0 HB3BCYS A 806 -15.442 14.169 52.095 0.50 18.46 H new ATOM 0 HG ACYS A 806 -16.406 14.968 53.469 0.50 28.18 H new ATOM 0 HG BCYS A 806 -16.772 16.519 51.931 0.50 28.18 H new ATOM 1129 N MET A 807 -14.264 12.158 49.669 1.00 15.49 N ATOM 1130 CA MET A 807 -14.126 10.715 49.552 1.00 15.35 C ATOM 1131 C MET A 807 -12.661 10.337 49.391 1.00 15.22 C ATOM 1132 O MET A 807 -12.208 9.359 49.983 1.00 15.55 O ATOM 1133 CB MET A 807 -14.940 10.182 48.365 1.00 15.93 C ATOM 1134 CG MET A 807 -16.438 10.140 48.626 1.00 17.27 C ATOM 1135 SD MET A 807 -17.307 9.310 47.288 1.00 24.08 S ATOM 1136 CE MET A 807 -17.412 10.564 46.221 1.00 16.11 C ATOM 0 H MET A 807 -14.702 12.532 49.030 1.00 15.49 H new ATOM 0 HA MET A 807 -14.469 10.312 50.365 1.00 15.35 H new ATOM 0 HB2 MET A 807 -14.770 10.739 47.589 1.00 15.93 H new ATOM 0 HB3 MET A 807 -14.632 9.289 48.146 1.00 15.93 H new ATOM 0 HG2 MET A 807 -16.611 9.679 49.462 1.00 17.27 H new ATOM 0 HG3 MET A 807 -16.777 11.043 48.724 1.00 17.27 H new ATOM 0 HE1 MET A 807 -17.412 10.219 45.315 1.00 16.11 H new ATOM 0 HE2 MET A 807 -18.233 11.056 46.379 1.00 16.11 H new ATOM 0 HE3 MET A 807 -16.653 11.156 46.341 1.00 16.11 H new ATOM 1137 N LYS A 808 -11.916 11.113 48.604 1.00 14.61 N ATOM 1138 CA LYS A 808 -10.499 10.797 48.410 1.00 15.27 C ATOM 1139 C LYS A 808 -9.750 10.891 49.730 1.00 15.96 C ATOM 1140 O LYS A 808 -8.906 10.048 50.032 1.00 16.46 O ATOM 1141 CB LYS A 808 -9.850 11.722 47.372 1.00 15.14 C ATOM 1142 CG LYS A 808 -8.391 11.353 47.055 1.00 13.11 C ATOM 1143 CD LYS A 808 -7.937 11.896 45.696 1.00 13.81 C ATOM 1144 CE LYS A 808 -8.053 13.420 45.608 1.00 16.10 C ATOM 1145 NZ LYS A 808 -7.212 14.117 46.626 1.00 15.87 N ATOM 0 H LYS A 808 -12.200 11.808 48.184 1.00 14.61 H new ATOM 0 HA LYS A 808 -10.445 9.888 48.075 1.00 15.27 H new ATOM 0 HB2 LYS A 808 -10.369 11.693 46.553 1.00 15.14 H new ATOM 0 HB3 LYS A 808 -9.883 12.635 47.697 1.00 15.14 H new ATOM 0 HG2 LYS A 808 -7.812 11.703 47.751 1.00 13.11 H new ATOM 0 HG3 LYS A 808 -8.294 10.388 47.064 1.00 13.11 H new ATOM 0 HD2 LYS A 808 -7.016 11.635 45.537 1.00 13.81 H new ATOM 0 HD3 LYS A 808 -8.472 11.492 44.994 1.00 13.81 H new ATOM 0 HE2 LYS A 808 -7.789 13.711 44.721 1.00 16.10 H new ATOM 0 HE3 LYS A 808 -8.980 13.678 45.727 1.00 16.10 H new ATOM 0 HZ1 LYS A 808 -7.050 14.950 46.358 1.00 15.87 H new ATOM 0 HZ2 LYS A 808 -7.642 14.135 47.405 1.00 15.87 H new ATOM 0 HZ3 LYS A 808 -6.442 13.682 46.723 1.00 15.87 H new ATOM 1146 N ALA A 809 -10.060 11.917 50.517 1.00 16.15 N ATOM 1147 CA ALA A 809 -9.413 12.084 51.814 1.00 17.08 C ATOM 1148 C ALA A 809 -9.747 10.883 52.692 1.00 17.47 C ATOM 1149 O ALA A 809 -8.881 10.350 53.384 1.00 17.03 O ATOM 1150 CB ALA A 809 -9.879 13.370 52.476 1.00 17.12 C ATOM 0 H ALA A 809 -10.638 12.523 50.321 1.00 16.15 H new ATOM 0 HA ALA A 809 -8.452 12.139 51.693 1.00 17.08 H new ATOM 0 HB1 ALA A 809 -9.442 13.468 53.336 1.00 17.12 H new ATOM 0 HB2 ALA A 809 -9.653 14.125 51.911 1.00 17.12 H new ATOM 0 HB3 ALA A 809 -10.840 13.338 52.604 1.00 17.12 H new ATOM 1151 N LEU A 810 -11.000 10.441 52.654 1.00 16.10 N ATOM 1152 CA LEU A 810 -11.399 9.289 53.453 1.00 17.30 C ATOM 1153 C LEU A 810 -10.658 8.022 53.036 1.00 17.29 C ATOM 1154 O LEU A 810 -10.384 7.160 53.870 1.00 18.23 O ATOM 1155 CB LEU A 810 -12.913 9.066 53.358 1.00 17.92 C ATOM 1156 CG ALEU A 810 -13.522 7.980 54.249 0.50 15.47 C ATOM 1157 CG BLEU A 810 -13.755 9.730 54.445 0.50 20.78 C ATOM 1158 CD1ALEU A 810 -13.107 8.188 55.701 0.50 15.24 C ATOM 1159 CD1BLEU A 810 -15.218 9.584 54.088 0.50 22.70 C ATOM 1160 CD2ALEU A 810 -15.038 8.024 54.117 0.50 15.30 C ATOM 1161 CD2BLEU A 810 -13.461 9.093 55.801 0.50 21.61 C ATOM 0 H LEU A 810 -11.627 10.789 52.179 1.00 16.10 H new ATOM 0 HA LEU A 810 -11.161 9.482 54.373 1.00 17.30 H new ATOM 0 HB2ALEU A 810 -13.353 9.905 53.565 0.50 17.92 H new ATOM 0 HB2BLEU A 810 -13.216 9.390 52.495 0.50 17.92 H new ATOM 0 HB3ALEU A 810 -13.127 8.853 52.436 0.50 17.92 H new ATOM 0 HB3BLEU A 810 -13.084 8.111 53.379 0.50 17.92 H new ATOM 0 HG ALEU A 810 -13.198 7.110 53.967 0.50 20.78 H new ATOM 0 HG BLEU A 810 -13.533 10.673 54.504 0.50 20.78 H new ATOM 0 HD11ALEU A 810 -13.500 7.494 56.253 0.50 22.70 H new ATOM 0 HD11BLEU A 810 -15.762 10.003 54.773 0.50 22.70 H new ATOM 0 HD12ALEU A 810 -12.140 8.147 55.770 0.50 22.70 H new ATOM 0 HD12BLEU A 810 -15.387 10.012 53.234 0.50 22.70 H new ATOM 0 HD13ALEU A 810 -13.416 9.056 56.005 0.50 22.70 H new ATOM 0 HD13BLEU A 810 -15.444 8.643 54.027 0.50 22.70 H new ATOM 0 HD21ALEU A 810 -15.432 7.338 54.679 0.50 21.61 H new ATOM 0 HD21BLEU A 810 -14.000 9.522 56.484 0.50 21.61 H new ATOM 0 HD22ALEU A 810 -15.362 8.895 54.395 0.50 21.61 H new ATOM 0 HD22BLEU A 810 -13.674 8.147 55.767 0.50 21.61 H new ATOM 0 HD23ALEU A 810 -15.287 7.867 53.193 0.50 21.61 H new ATOM 0 HD23BLEU A 810 -12.521 9.205 56.014 0.50 21.61 H new ATOM 1162 N LEU A 811 -10.332 7.898 51.752 1.00 15.60 N ATOM 1163 CA LEU A 811 -9.613 6.712 51.277 1.00 17.13 C ATOM 1164 C LEU A 811 -8.241 6.566 51.927 1.00 17.75 C ATOM 1165 O LEU A 811 -7.698 5.462 51.994 1.00 18.87 O ATOM 1166 CB LEU A 811 -9.454 6.734 49.752 1.00 18.35 C ATOM 1167 CG LEU A 811 -10.641 6.243 48.918 1.00 19.94 C ATOM 1168 CD1 LEU A 811 -10.337 6.443 47.443 1.00 20.07 C ATOM 1169 CD2 LEU A 811 -10.911 4.764 49.214 1.00 20.42 C ATOM 0 H LEU A 811 -10.514 8.479 51.145 1.00 15.60 H new ATOM 0 HA LEU A 811 -10.152 5.947 51.534 1.00 17.13 H new ATOM 0 HB2 LEU A 811 -9.254 7.644 49.484 1.00 18.35 H new ATOM 0 HB3 LEU A 811 -8.681 6.194 49.522 1.00 18.35 H new ATOM 0 HG LEU A 811 -11.434 6.752 49.149 1.00 19.94 H new ATOM 0 HD11 LEU A 811 -11.088 6.133 46.913 1.00 20.07 H new ATOM 0 HD12 LEU A 811 -10.186 7.385 47.268 1.00 20.07 H new ATOM 0 HD13 LEU A 811 -9.543 5.939 47.205 1.00 20.07 H new ATOM 0 HD21 LEU A 811 -11.663 4.460 48.683 1.00 20.42 H new ATOM 0 HD22 LEU A 811 -10.125 4.240 48.991 1.00 20.42 H new ATOM 0 HD23 LEU A 811 -11.115 4.654 50.156 1.00 20.42 H new ATOM 1170 N LEU A 812 -7.675 7.671 52.401 1.00 17.31 N ATOM 1171 CA LEU A 812 -6.374 7.613 53.058 1.00 18.61 C ATOM 1172 C LEU A 812 -6.500 6.905 54.413 1.00 19.49 C ATOM 1173 O LEU A 812 -5.525 6.368 54.940 1.00 20.54 O ATOM 1174 CB LEU A 812 -5.820 9.030 53.260 1.00 18.86 C ATOM 1175 CG LEU A 812 -4.537 9.144 54.090 1.00 18.76 C ATOM 1176 CD1 LEU A 812 -3.398 8.434 53.371 1.00 18.89 C ATOM 1177 CD2 LEU A 812 -4.185 10.610 54.299 1.00 20.43 C ATOM 0 H LEU A 812 -8.023 8.456 52.353 1.00 17.31 H new ATOM 0 HA LEU A 812 -5.763 7.113 52.495 1.00 18.61 H new ATOM 0 HB2 LEU A 812 -5.654 9.419 52.387 1.00 18.86 H new ATOM 0 HB3 LEU A 812 -6.506 9.568 53.685 1.00 18.86 H new ATOM 0 HG LEU A 812 -4.677 8.727 54.955 1.00 18.76 H new ATOM 0 HD11 LEU A 812 -2.587 8.507 53.898 1.00 18.89 H new ATOM 0 HD12 LEU A 812 -3.623 7.498 53.253 1.00 18.89 H new ATOM 0 HD13 LEU A 812 -3.257 8.844 52.503 1.00 18.89 H new ATOM 0 HD21 LEU A 812 -3.373 10.676 54.825 1.00 20.43 H new ATOM 0 HD22 LEU A 812 -4.048 11.036 53.438 1.00 20.43 H new ATOM 0 HD23 LEU A 812 -4.910 11.053 54.767 1.00 20.43 H new ATOM 1178 N PHE A 813 -7.712 6.898 54.964 1.00 18.66 N ATOM 1179 CA PHE A 813 -7.966 6.283 56.266 1.00 19.28 C ATOM 1180 C PHE A 813 -8.883 5.069 56.133 1.00 19.89 C ATOM 1181 O PHE A 813 -9.734 4.831 56.993 1.00 21.02 O ATOM 1182 CB PHE A 813 -8.617 7.309 57.200 1.00 19.65 C ATOM 1183 CG PHE A 813 -7.915 8.639 57.227 1.00 20.56 C ATOM 1184 CD1 PHE A 813 -6.631 8.755 57.750 1.00 22.66 C ATOM 1185 CD2 PHE A 813 -8.538 9.776 56.722 1.00 21.75 C ATOM 1186 CE1 PHE A 813 -5.977 9.984 57.772 1.00 22.60 C ATOM 1187 CE2 PHE A 813 -7.894 11.007 56.738 1.00 22.46 C ATOM 1188 CZ PHE A 813 -6.612 11.113 57.264 1.00 21.49 C ATOM 0 H PHE A 813 -8.407 7.247 54.596 1.00 18.66 H new ATOM 0 HA PHE A 813 -7.118 5.989 56.633 1.00 19.28 H new ATOM 0 HB2 PHE A 813 -9.538 7.444 56.926 1.00 19.65 H new ATOM 0 HB3 PHE A 813 -8.639 6.946 58.099 1.00 19.65 H new ATOM 0 HD1 PHE A 813 -6.204 8.002 58.089 1.00 22.66 H new ATOM 0 HD2 PHE A 813 -9.396 9.711 56.369 1.00 21.75 H new ATOM 0 HE1 PHE A 813 -5.119 10.050 58.125 1.00 22.60 H new ATOM 0 HE2 PHE A 813 -8.321 11.760 56.397 1.00 22.46 H new ATOM 0 HZ PHE A 813 -6.180 11.936 57.276 1.00 21.49 H new ATOM 1189 N SER A 814 -8.702 4.297 55.067 1.00 19.54 N ATOM 1190 CA SER A 814 -9.555 3.137 54.841 1.00 20.55 C ATOM 1191 C SER A 814 -8.856 1.783 54.796 1.00 21.94 C ATOM 1192 O SER A 814 -9.445 0.801 54.362 1.00 22.19 O ATOM 1193 CB SER A 814 -10.359 3.333 53.557 1.00 21.83 C ATOM 1194 OG SER A 814 -11.191 4.477 53.663 1.00 23.51 O ATOM 0 H SER A 814 -8.098 4.425 54.469 1.00 19.54 H new ATOM 0 HA SER A 814 -10.123 3.097 55.626 1.00 20.55 H new ATOM 0 HB2 SER A 814 -9.756 3.433 52.803 1.00 21.83 H new ATOM 0 HB3 SER A 814 -10.901 2.547 53.385 1.00 21.83 H new ATOM 0 HG SER A 814 -10.715 5.169 53.685 1.00 23.51 H new ATOM 1195 N ILE A 815 -7.608 1.724 55.238 1.00 23.99 N ATOM 1196 CA ILE A 815 -6.889 0.453 55.249 1.00 26.16 C ATOM 1197 C ILE A 815 -5.930 0.443 56.430 1.00 28.21 C ATOM 1198 O ILE A 815 -5.041 1.291 56.527 1.00 28.80 O ATOM 1199 CB ILE A 815 -6.132 0.217 53.913 1.00 27.46 C ATOM 1200 CG1 ILE A 815 -5.361 -1.102 53.974 1.00 29.48 C ATOM 1201 CG2 ILE A 815 -5.206 1.387 53.616 1.00 29.27 C ATOM 1202 CD1 ILE A 815 -4.860 -1.576 52.623 1.00 30.66 C ATOM 0 H ILE A 815 -7.162 2.397 55.533 1.00 23.99 H new ATOM 0 HA ILE A 815 -7.526 -0.272 55.342 1.00 26.16 H new ATOM 0 HB ILE A 815 -6.775 0.157 53.189 1.00 27.46 H new ATOM 0 HG12 ILE A 815 -4.605 -0.998 54.573 1.00 29.48 H new ATOM 0 HG13 ILE A 815 -5.934 -1.785 54.356 1.00 29.48 H new ATOM 0 HG21 ILE A 815 -4.740 1.227 52.780 1.00 29.27 H new ATOM 0 HG22 ILE A 815 -5.727 2.202 53.544 1.00 29.27 H new ATOM 0 HG23 ILE A 815 -4.560 1.479 54.334 1.00 29.27 H new ATOM 0 HD11 ILE A 815 -4.382 -2.413 52.730 1.00 30.66 H new ATOM 0 HD12 ILE A 815 -5.613 -1.709 52.027 1.00 30.66 H new ATOM 0 HD13 ILE A 815 -4.264 -0.910 52.247 1.00 30.66 H new ATOM 1203 N ILE A 816 -6.128 -0.515 57.335 1.00 28.55 N ATOM 1204 CA ILE A 816 -5.313 -0.613 58.543 1.00 29.93 C ATOM 1205 C ILE A 816 -4.827 -2.030 58.858 1.00 29.37 C ATOM 1206 O ILE A 816 -5.386 -3.011 58.372 1.00 28.21 O ATOM 1207 CB ILE A 816 -6.102 -0.104 59.762 1.00 30.09 C ATOM 1208 CG1 ILE A 816 -7.358 -0.958 59.959 1.00 30.22 C ATOM 1209 CG2 ILE A 816 -6.484 1.357 59.561 1.00 32.24 C ATOM 1210 CD1 ILE A 816 -8.203 -0.557 61.157 1.00 34.07 C ATOM 0 H ILE A 816 -6.734 -1.121 57.266 1.00 28.55 H new ATOM 0 HA ILE A 816 -4.532 -0.066 58.366 1.00 29.93 H new ATOM 0 HB ILE A 816 -5.546 -0.174 60.554 1.00 30.09 H new ATOM 0 HG12 ILE A 816 -7.903 -0.903 59.159 1.00 30.22 H new ATOM 0 HG13 ILE A 816 -7.094 -1.886 60.059 1.00 30.22 H new ATOM 0 HG21 ILE A 816 -6.981 1.671 60.333 1.00 32.24 H new ATOM 0 HG22 ILE A 816 -5.681 1.890 59.455 1.00 32.24 H new ATOM 0 HG23 ILE A 816 -7.034 1.441 58.767 1.00 32.24 H new ATOM 0 HD11 ILE A 816 -8.977 -1.139 61.217 1.00 34.07 H new ATOM 0 HD12 ILE A 816 -7.675 -0.637 61.967 1.00 34.07 H new ATOM 0 HD13 ILE A 816 -8.497 0.361 61.053 1.00 34.07 H new ATOM 1211 N PRO A 817 -3.773 -2.145 59.687 1.00 30.64 N ATOM 1212 CA PRO A 817 -3.191 -3.431 60.089 1.00 31.12 C ATOM 1213 C PRO A 817 -3.964 -4.090 61.229 1.00 32.96 C ATOM 1214 O PRO A 817 -4.587 -3.408 62.047 1.00 34.02 O ATOM 1215 CB PRO A 817 -1.776 -3.050 60.501 1.00 30.33 C ATOM 1216 CG PRO A 817 -1.977 -1.706 61.115 1.00 32.12 C ATOM 1217 CD PRO A 817 -2.919 -1.030 60.135 1.00 31.64 C ATOM 0 HA PRO A 817 -3.217 -4.093 59.381 1.00 31.12 H new ATOM 0 HB2 PRO A 817 -1.399 -3.684 61.132 1.00 30.33 H new ATOM 0 HB3 PRO A 817 -1.175 -3.015 59.741 1.00 30.33 H new ATOM 0 HG2 PRO A 817 -2.364 -1.769 62.002 1.00 32.12 H new ATOM 0 HG3 PRO A 817 -1.141 -1.222 61.204 1.00 32.12 H new ATOM 0 HD2 PRO A 817 -3.436 -0.327 60.559 1.00 31.64 H new ATOM 0 HD3 PRO A 817 -2.440 -0.623 59.396 1.00 31.64 H new ATOM 1218 N VAL A 818 -3.917 -5.417 61.287 1.00 32.86 N ATOM 1219 CA VAL A 818 -4.623 -6.153 62.330 1.00 33.14 C ATOM 1220 C VAL A 818 -3.934 -6.031 63.688 1.00 33.75 C ATOM 1221 O VAL A 818 -4.589 -6.095 64.723 1.00 32.96 O ATOM 1222 CB VAL A 818 -4.779 -7.651 61.955 1.00 34.15 C ATOM 1223 CG1 VAL A 818 -5.675 -7.786 60.732 1.00 33.26 C ATOM 1224 CG2 VAL A 818 -3.422 -8.272 61.677 1.00 34.58 C ATOM 0 H VAL A 818 -3.482 -5.910 60.732 1.00 32.86 H new ATOM 0 HA VAL A 818 -5.503 -5.751 62.401 1.00 33.14 H new ATOM 0 HB VAL A 818 -5.185 -8.119 62.701 1.00 34.15 H new ATOM 0 HG11 VAL A 818 -5.769 -8.724 60.502 1.00 33.26 H new ATOM 0 HG12 VAL A 818 -6.548 -7.412 60.928 1.00 33.26 H new ATOM 0 HG13 VAL A 818 -5.279 -7.309 59.986 1.00 33.26 H new ATOM 0 HG21 VAL A 818 -3.535 -9.207 61.444 1.00 34.58 H new ATOM 0 HG22 VAL A 818 -2.997 -7.805 60.941 1.00 34.58 H new ATOM 0 HG23 VAL A 818 -2.865 -8.201 62.468 1.00 34.58 H new ATOM 1225 N ASP A 819 -2.618 -5.851 63.686 1.00 35.25 N ATOM 1226 CA ASP A 819 -1.888 -5.702 64.940 1.00 37.01 C ATOM 1227 C ASP A 819 -2.111 -4.294 65.488 1.00 37.20 C ATOM 1228 O ASP A 819 -1.603 -3.942 66.555 1.00 37.15 O ATOM 1229 CB ASP A 819 -0.388 -5.947 64.733 1.00 40.71 C ATOM 1230 CG ASP A 819 -0.077 -7.380 64.349 1.00 44.30 C ATOM 1231 OD1 ASP A 819 -0.541 -8.303 65.053 1.00 46.01 O ATOM 1232 OD2 ASP A 819 0.641 -7.586 63.345 1.00 47.52 O ATOM 0 H ASP A 819 -2.133 -5.812 62.977 1.00 35.25 H new ATOM 0 HA ASP A 819 -2.218 -6.359 65.573 1.00 37.01 H new ATOM 0 HB2 ASP A 819 -0.059 -5.352 64.041 1.00 40.71 H new ATOM 0 HB3 ASP A 819 0.088 -5.724 65.548 1.00 40.71 H new ATOM 1233 N GLY A 820 -2.867 -3.495 64.739 1.00 36.52 N ATOM 1234 CA GLY A 820 -3.170 -2.135 65.150 1.00 36.95 C ATOM 1235 C GLY A 820 -2.077 -1.116 64.888 1.00 36.37 C ATOM 1236 O GLY A 820 -0.902 -1.463 64.758 1.00 36.58 O ATOM 0 H GLY A 820 -3.214 -3.726 63.987 1.00 36.52 H new ATOM 0 HA2 GLY A 820 -3.976 -1.847 64.693 1.00 36.95 H new ATOM 0 HA3 GLY A 820 -3.368 -2.137 66.100 1.00 36.95 H new ATOM 1237 N LEU A 821 -2.476 0.151 64.807 1.00 35.74 N ATOM 1238 CA LEU A 821 -1.544 1.247 64.579 1.00 35.57 C ATOM 1239 C LEU A 821 -0.927 1.636 65.920 1.00 36.21 C ATOM 1240 O LEU A 821 -1.440 1.248 66.971 1.00 39.07 O ATOM 1241 CB LEU A 821 -2.289 2.445 63.975 1.00 32.71 C ATOM 1242 CG LEU A 821 -2.879 2.246 62.575 1.00 31.98 C ATOM 1243 CD1 LEU A 821 -3.844 3.376 62.238 1.00 29.92 C ATOM 1244 CD2 LEU A 821 -1.750 2.182 61.561 1.00 30.24 C ATOM 0 H LEU A 821 -3.296 0.398 64.883 1.00 35.74 H new ATOM 0 HA LEU A 821 -0.849 0.974 63.960 1.00 35.57 H new ATOM 0 HB2 LEU A 821 -3.010 2.689 64.577 1.00 32.71 H new ATOM 0 HB3 LEU A 821 -1.678 3.198 63.943 1.00 32.71 H new ATOM 0 HG LEU A 821 -3.376 1.413 62.550 1.00 31.98 H new ATOM 0 HD11 LEU A 821 -4.209 3.236 61.350 1.00 29.92 H new ATOM 0 HD12 LEU A 821 -4.566 3.389 62.885 1.00 29.92 H new ATOM 0 HD13 LEU A 821 -3.372 4.223 62.264 1.00 29.92 H new ATOM 0 HD21 LEU A 821 -2.119 2.056 60.673 1.00 30.24 H new ATOM 0 HD22 LEU A 821 -1.245 3.010 61.586 1.00 30.24 H new ATOM 0 HD23 LEU A 821 -1.164 1.439 61.775 1.00 30.24 H new ATOM 1245 N LYS A 822 0.173 2.384 65.891 1.00 37.33 N ATOM 1246 CA LYS A 822 0.822 2.815 67.127 1.00 36.73 C ATOM 1247 C LYS A 822 -0.227 3.422 68.047 1.00 36.29 C ATOM 1248 O LYS A 822 -0.300 3.085 69.228 1.00 36.76 O ATOM 1249 CB LYS A 822 1.918 3.840 66.837 1.00 40.00 C ATOM 1250 CG LYS A 822 3.321 3.255 66.757 1.00 42.60 C ATOM 1251 CD LYS A 822 3.459 2.243 65.630 1.00 44.92 C ATOM 1252 CE LYS A 822 4.889 1.726 65.540 1.00 45.97 C ATOM 1253 NZ LYS A 822 5.073 0.785 64.402 1.00 47.96 N ATOM 0 H LYS A 822 0.558 2.652 65.170 1.00 37.33 H new ATOM 0 HA LYS A 822 1.235 2.048 67.554 1.00 36.73 H new ATOM 0 HB2 LYS A 822 1.716 4.284 65.999 1.00 40.00 H new ATOM 0 HB3 LYS A 822 1.902 4.519 67.529 1.00 40.00 H new ATOM 0 HG2 LYS A 822 3.961 3.972 66.626 1.00 42.60 H new ATOM 0 HG3 LYS A 822 3.541 2.829 67.600 1.00 42.60 H new ATOM 0 HD2 LYS A 822 2.851 1.502 65.779 1.00 44.92 H new ATOM 0 HD3 LYS A 822 3.205 2.653 64.788 1.00 44.92 H new ATOM 0 HE2 LYS A 822 5.497 2.475 65.440 1.00 45.97 H new ATOM 0 HE3 LYS A 822 5.123 1.279 66.369 1.00 45.97 H new ATOM 0 HZ1 LYS A 822 5.918 0.505 64.382 1.00 47.96 H new ATOM 0 HZ2 LYS A 822 4.532 0.086 64.504 1.00 47.96 H new ATOM 0 HZ3 LYS A 822 4.880 1.200 63.639 1.00 47.96 H new ATOM 1254 N ASN A 823 -1.035 4.326 67.504 1.00 33.59 N ATOM 1255 CA ASN A 823 -2.102 4.943 68.278 1.00 32.40 C ATOM 1256 C ASN A 823 -3.397 4.826 67.487 1.00 30.63 C ATOM 1257 O ASN A 823 -3.808 5.751 66.781 1.00 30.72 O ATOM 1258 CB ASN A 823 -1.806 6.410 68.575 1.00 32.41 C ATOM 1259 CG ASN A 823 -2.691 6.960 69.679 1.00 34.50 C ATOM 1260 OD1 ASN A 823 -3.917 6.846 69.622 1.00 33.64 O ATOM 1261 ND2 ASN A 823 -2.074 7.556 70.693 1.00 36.39 N ATOM 0 H ASN A 823 -0.981 4.595 66.689 1.00 33.59 H new ATOM 0 HA ASN A 823 -2.178 4.485 69.130 1.00 32.40 H new ATOM 0 HB2 ASN A 823 -0.875 6.505 68.831 1.00 32.41 H new ATOM 0 HB3 ASN A 823 -1.934 6.934 67.769 1.00 32.41 H new ATOM 0 HD21 ASN A 823 -2.532 7.881 71.344 1.00 36.39 H new ATOM 0 HD22 ASN A 823 -1.216 7.617 70.698 1.00 36.39 H new ATOM 1262 N GLN A 824 -4.026 3.665 67.618 1.00 29.02 N ATOM 1263 CA GLN A 824 -5.268 3.352 66.932 1.00 28.32 C ATOM 1264 C GLN A 824 -6.394 4.317 67.288 1.00 28.39 C ATOM 1265 O GLN A 824 -7.248 4.619 66.457 1.00 26.28 O ATOM 1266 CB GLN A 824 -5.685 1.922 67.278 1.00 29.17 C ATOM 1267 CG GLN A 824 -6.857 1.391 66.482 1.00 31.22 C ATOM 1268 CD GLN A 824 -6.527 1.220 65.014 1.00 32.32 C ATOM 1269 OE1 GLN A 824 -5.521 0.601 64.660 1.00 34.56 O ATOM 1270 NE2 GLN A 824 -7.374 1.764 64.148 1.00 32.80 N ATOM 0 H GLN A 824 -3.737 3.027 68.117 1.00 29.02 H new ATOM 0 HA GLN A 824 -5.108 3.441 65.979 1.00 28.32 H new ATOM 0 HB2 GLN A 824 -4.925 1.335 67.141 1.00 29.17 H new ATOM 0 HB3 GLN A 824 -5.907 1.883 68.221 1.00 29.17 H new ATOM 0 HG2 GLN A 824 -7.135 0.538 66.850 1.00 31.22 H new ATOM 0 HG3 GLN A 824 -7.608 1.998 66.574 1.00 31.22 H new ATOM 0 HE21 GLN A 824 -8.066 2.189 64.432 1.00 32.80 H new ATOM 0 HE22 GLN A 824 -7.231 1.691 63.303 1.00 32.80 H new ATOM 1271 N LYS A 825 -6.394 4.801 68.524 1.00 27.39 N ATOM 1272 CA LYS A 825 -7.434 5.717 68.971 1.00 28.59 C ATOM 1273 C LYS A 825 -7.453 7.031 68.193 1.00 27.35 C ATOM 1274 O LYS A 825 -8.521 7.513 67.817 1.00 28.01 O ATOM 1275 CB LYS A 825 -7.279 5.990 70.469 1.00 29.81 C ATOM 1276 CG LYS A 825 -7.509 4.757 71.329 1.00 34.69 C ATOM 1277 CD LYS A 825 -7.263 5.048 72.801 1.00 38.74 C ATOM 1278 CE LYS A 825 -7.559 3.831 73.665 1.00 40.47 C ATOM 1279 NZ LYS A 825 -7.247 4.089 75.101 1.00 43.70 N ATOM 0 H LYS A 825 -5.802 4.612 69.118 1.00 27.39 H new ATOM 0 HA LYS A 825 -8.284 5.283 68.799 1.00 28.59 H new ATOM 0 HB2 LYS A 825 -6.388 6.334 70.639 1.00 29.81 H new ATOM 0 HB3 LYS A 825 -7.905 6.682 70.732 1.00 29.81 H new ATOM 0 HG2 LYS A 825 -8.419 4.442 71.208 1.00 34.69 H new ATOM 0 HG3 LYS A 825 -6.921 4.043 71.037 1.00 34.69 H new ATOM 0 HD2 LYS A 825 -6.341 5.321 72.929 1.00 38.74 H new ATOM 0 HD3 LYS A 825 -7.820 5.790 73.083 1.00 38.74 H new ATOM 0 HE2 LYS A 825 -8.494 3.589 73.575 1.00 40.47 H new ATOM 0 HE3 LYS A 825 -7.038 3.075 73.351 1.00 40.47 H new ATOM 0 HZ1 LYS A 825 -7.430 3.362 75.580 1.00 43.70 H new ATOM 0 HZ2 LYS A 825 -6.384 4.291 75.186 1.00 43.70 H new ATOM 0 HZ3 LYS A 825 -7.741 4.769 75.395 1.00 43.70 H new ATOM 1280 N PHE A 826 -6.282 7.610 67.944 1.00 27.65 N ATOM 1281 CA PHE A 826 -6.223 8.865 67.197 1.00 27.75 C ATOM 1282 C PHE A 826 -6.665 8.648 65.751 1.00 26.66 C ATOM 1283 O PHE A 826 -7.297 9.516 65.148 1.00 25.88 O ATOM 1284 CB PHE A 826 -4.810 9.454 67.222 1.00 30.74 C ATOM 1285 CG PHE A 826 -4.371 9.934 68.581 1.00 35.20 C ATOM 1286 CD1 PHE A 826 -5.303 10.377 69.517 1.00 36.80 C ATOM 1287 CD2 PHE A 826 -3.021 9.975 68.912 1.00 36.52 C ATOM 1288 CE1 PHE A 826 -4.896 10.853 70.765 1.00 37.36 C ATOM 1289 CE2 PHE A 826 -2.603 10.450 70.156 1.00 37.68 C ATOM 1290 CZ PHE A 826 -3.544 10.889 71.081 1.00 38.13 C ATOM 0 H PHE A 826 -5.520 7.299 68.194 1.00 27.65 H new ATOM 0 HA PHE A 826 -6.827 9.492 67.624 1.00 27.75 H new ATOM 0 HB2 PHE A 826 -4.184 8.783 66.908 1.00 30.74 H new ATOM 0 HB3 PHE A 826 -4.767 10.195 66.598 1.00 30.74 H new ATOM 0 HD1 PHE A 826 -6.209 10.355 69.308 1.00 36.80 H new ATOM 0 HD2 PHE A 826 -2.388 9.682 68.296 1.00 36.52 H new ATOM 0 HE1 PHE A 826 -5.528 11.145 71.382 1.00 37.36 H new ATOM 0 HE2 PHE A 826 -1.697 10.473 70.366 1.00 37.68 H new ATOM 0 HZ PHE A 826 -3.268 11.206 71.911 1.00 38.13 H new ATOM 1291 N PHE A 827 -6.331 7.488 65.195 1.00 25.51 N ATOM 1292 CA PHE A 827 -6.727 7.184 63.828 1.00 23.70 C ATOM 1293 C PHE A 827 -8.245 7.042 63.746 1.00 23.43 C ATOM 1294 O PHE A 827 -8.881 7.583 62.839 1.00 22.17 O ATOM 1295 CB PHE A 827 -6.052 5.897 63.341 1.00 22.76 C ATOM 1296 CG PHE A 827 -6.603 5.385 62.039 1.00 22.13 C ATOM 1297 CD1 PHE A 827 -7.757 4.607 62.014 1.00 21.52 C ATOM 1298 CD2 PHE A 827 -5.993 5.718 60.834 1.00 23.32 C ATOM 1299 CE1 PHE A 827 -8.301 4.167 60.803 1.00 23.21 C ATOM 1300 CE2 PHE A 827 -6.527 5.285 59.619 1.00 23.29 C ATOM 1301 CZ PHE A 827 -7.683 4.509 59.605 1.00 23.81 C ATOM 0 H PHE A 827 -5.880 6.870 65.588 1.00 25.51 H new ATOM 0 HA PHE A 827 -6.443 7.914 63.255 1.00 23.70 H new ATOM 0 HB2 PHE A 827 -5.101 6.058 63.240 1.00 22.76 H new ATOM 0 HB3 PHE A 827 -6.154 5.211 64.019 1.00 22.76 H new ATOM 0 HD1 PHE A 827 -8.172 4.377 62.814 1.00 21.52 H new ATOM 0 HD2 PHE A 827 -5.220 6.235 60.838 1.00 23.32 H new ATOM 0 HE1 PHE A 827 -9.073 3.648 60.799 1.00 23.21 H new ATOM 0 HE2 PHE A 827 -6.111 5.515 58.820 1.00 23.29 H new ATOM 0 HZ PHE A 827 -8.041 4.220 58.797 1.00 23.81 H new ATOM 1302 N ASP A 828 -8.822 6.314 64.698 1.00 23.78 N ATOM 1303 CA ASP A 828 -10.262 6.109 64.727 1.00 24.65 C ATOM 1304 C ASP A 828 -11.011 7.436 64.816 1.00 24.24 C ATOM 1305 O ASP A 828 -12.046 7.615 64.175 1.00 22.14 O ATOM 1306 CB ASP A 828 -10.661 5.222 65.913 1.00 26.85 C ATOM 1307 CG ASP A 828 -10.121 3.806 65.798 1.00 29.73 C ATOM 1308 OD1 ASP A 828 -9.841 3.364 64.665 1.00 31.11 O ATOM 1309 OD2 ASP A 828 -9.992 3.129 66.842 1.00 31.06 O ATOM 0 H ASP A 828 -8.394 5.930 65.337 1.00 23.78 H new ATOM 0 HA ASP A 828 -10.506 5.668 63.898 1.00 24.65 H new ATOM 0 HB2 ASP A 828 -10.335 5.622 66.735 1.00 26.85 H new ATOM 0 HB3 ASP A 828 -11.628 5.191 65.977 1.00 26.85 H new ATOM 1310 N GLU A 829 -10.487 8.363 65.613 1.00 24.42 N ATOM 1311 CA GLU A 829 -11.122 9.666 65.772 1.00 25.82 C ATOM 1312 C GLU A 829 -11.076 10.447 64.463 1.00 24.66 C ATOM 1313 O GLU A 829 -12.065 11.057 64.052 1.00 22.69 O ATOM 1314 CB GLU A 829 -10.423 10.476 66.868 1.00 29.63 C ATOM 1315 CG GLU A 829 -10.887 11.926 66.939 1.00 36.44 C ATOM 1316 CD GLU A 829 -10.060 12.769 67.893 1.00 40.61 C ATOM 1317 OE1 GLU A 829 -8.819 12.800 67.744 1.00 43.11 O ATOM 1318 OE2 GLU A 829 -10.654 13.408 68.789 1.00 43.29 O ATOM 0 H GLU A 829 -9.766 8.257 66.069 1.00 24.42 H new ATOM 0 HA GLU A 829 -12.047 9.518 66.025 1.00 25.82 H new ATOM 0 HB2 GLU A 829 -10.581 10.051 67.725 1.00 29.63 H new ATOM 0 HB3 GLU A 829 -9.466 10.457 66.714 1.00 29.63 H new ATOM 0 HG2 GLU A 829 -10.846 12.317 66.052 1.00 36.44 H new ATOM 0 HG3 GLU A 829 -11.816 11.950 67.217 1.00 36.44 H new ATOM 1319 N LEU A 830 -9.922 10.425 63.811 1.00 22.97 N ATOM 1320 CA LEU A 830 -9.756 11.143 62.558 1.00 23.43 C ATOM 1321 C LEU A 830 -10.687 10.575 61.490 1.00 22.64 C ATOM 1322 O LEU A 830 -11.359 11.322 60.780 1.00 23.03 O ATOM 1323 CB LEU A 830 -8.299 11.054 62.105 1.00 25.06 C ATOM 1324 CG LEU A 830 -7.846 11.988 60.987 1.00 26.53 C ATOM 1325 CD1 LEU A 830 -8.080 13.434 61.393 1.00 25.82 C ATOM 1326 CD2 LEU A 830 -6.375 11.748 60.702 1.00 27.99 C ATOM 0 H LEU A 830 -9.223 10.000 64.077 1.00 22.97 H new ATOM 0 HA LEU A 830 -9.987 12.075 62.693 1.00 23.43 H new ATOM 0 HB2 LEU A 830 -7.736 11.218 62.877 1.00 25.06 H new ATOM 0 HB3 LEU A 830 -8.130 10.143 61.819 1.00 25.06 H new ATOM 0 HG LEU A 830 -8.359 11.809 60.183 1.00 26.53 H new ATOM 0 HD11 LEU A 830 -7.790 14.022 60.678 1.00 25.82 H new ATOM 0 HD12 LEU A 830 -9.025 13.574 61.563 1.00 25.82 H new ATOM 0 HD13 LEU A 830 -7.575 13.630 62.197 1.00 25.82 H new ATOM 0 HD21 LEU A 830 -6.082 12.340 59.991 1.00 27.99 H new ATOM 0 HD22 LEU A 830 -5.857 11.924 61.503 1.00 27.99 H new ATOM 0 HD23 LEU A 830 -6.244 10.826 60.429 1.00 27.99 H new ATOM 1327 N ARG A 831 -10.737 9.250 61.380 1.00 21.58 N ATOM 1328 CA ARG A 831 -11.608 8.623 60.398 1.00 21.59 C ATOM 1329 C ARG A 831 -13.063 9.017 60.655 1.00 22.00 C ATOM 1330 O ARG A 831 -13.805 9.326 59.725 1.00 22.10 O ATOM 1331 CB ARG A 831 -11.461 7.098 60.445 1.00 21.42 C ATOM 1332 CG ARG A 831 -12.381 6.385 59.470 1.00 23.13 C ATOM 1333 CD ARG A 831 -12.213 4.869 59.505 1.00 23.18 C ATOM 1334 NE ARG A 831 -13.367 4.217 58.896 1.00 23.17 N ATOM 1335 CZ ARG A 831 -13.537 4.033 57.593 1.00 22.12 C ATOM 1336 NH1 ARG A 831 -12.613 4.440 56.727 1.00 21.80 N ATOM 1337 NH2 ARG A 831 -14.650 3.461 57.152 1.00 22.89 N ATOM 0 H ARG A 831 -10.279 8.703 61.860 1.00 21.58 H new ATOM 0 HA ARG A 831 -11.349 8.932 59.516 1.00 21.59 H new ATOM 0 HB2 ARG A 831 -10.542 6.860 60.248 1.00 21.42 H new ATOM 0 HB3 ARG A 831 -11.648 6.787 61.345 1.00 21.42 H new ATOM 0 HG2 ARG A 831 -13.302 6.610 59.676 1.00 23.13 H new ATOM 0 HG3 ARG A 831 -12.205 6.706 58.572 1.00 23.13 H new ATOM 0 HD2 ARG A 831 -11.404 4.616 59.033 1.00 23.18 H new ATOM 0 HD3 ARG A 831 -12.111 4.570 60.422 1.00 23.18 H new ATOM 0 HE ARG A 831 -13.984 3.930 59.422 1.00 23.17 H new ATOM 0 HH11 ARG A 831 -11.898 4.826 57.010 1.00 21.80 H new ATOM 0 HH12 ARG A 831 -12.730 4.317 55.884 1.00 21.80 H new ATOM 0 HH21 ARG A 831 -15.256 3.212 57.710 1.00 22.89 H new ATOM 0 HH22 ARG A 831 -14.766 3.339 56.309 1.00 22.89 H new ATOM 1338 N MET A 832 -13.465 9.013 61.921 1.00 21.50 N ATOM 1339 CA MET A 832 -14.832 9.377 62.273 1.00 22.82 C ATOM 1340 C MET A 832 -15.155 10.805 61.857 1.00 23.16 C ATOM 1341 O MET A 832 -16.260 11.089 61.398 1.00 24.47 O ATOM 1342 CB MET A 832 -15.063 9.236 63.777 1.00 24.75 C ATOM 1343 CG MET A 832 -16.411 9.775 64.223 1.00 29.53 C ATOM 1344 SD MET A 832 -16.692 9.584 65.985 1.00 37.55 S ATOM 1345 CE MET A 832 -15.633 10.877 66.633 1.00 34.79 C ATOM 0 H MET A 832 -12.965 8.804 62.588 1.00 21.50 H new ATOM 0 HA MET A 832 -15.417 8.769 61.795 1.00 22.82 H new ATOM 0 HB2 MET A 832 -14.997 8.300 64.023 1.00 24.75 H new ATOM 0 HB3 MET A 832 -14.359 9.705 64.253 1.00 24.75 H new ATOM 0 HG2 MET A 832 -16.471 10.715 63.991 1.00 29.53 H new ATOM 0 HG3 MET A 832 -17.114 9.317 63.737 1.00 29.53 H new ATOM 0 HE1 MET A 832 -14.984 10.490 67.241 1.00 34.79 H new ATOM 0 HE2 MET A 832 -15.170 11.314 65.901 1.00 34.79 H new ATOM 0 HE3 MET A 832 -16.172 11.529 67.109 1.00 34.79 H new ATOM 1346 N ASN A 833 -14.191 11.706 62.023 1.00 21.77 N ATOM 1347 CA ASN A 833 -14.406 13.101 61.662 1.00 23.57 C ATOM 1348 C ASN A 833 -14.539 13.299 60.156 1.00 24.08 C ATOM 1349 O ASN A 833 -15.308 14.147 59.704 1.00 23.82 O ATOM 1350 CB ASN A 833 -13.274 13.973 62.207 1.00 26.93 C ATOM 1351 CG ASN A 833 -13.391 14.204 63.699 1.00 30.64 C ATOM 1352 OD1 ASN A 833 -14.441 14.616 64.192 1.00 35.12 O ATOM 1353 ND2 ASN A 833 -12.314 13.943 64.426 1.00 33.57 N ATOM 0 H ASN A 833 -13.411 11.531 62.341 1.00 21.77 H new ATOM 0 HA ASN A 833 -15.246 13.371 62.065 1.00 23.57 H new ATOM 0 HB2 ASN A 833 -12.422 13.551 62.013 1.00 26.93 H new ATOM 0 HB3 ASN A 833 -13.278 14.828 61.749 1.00 26.93 H new ATOM 0 HD21 ASN A 833 -12.331 14.060 65.278 1.00 33.57 H new ATOM 0 HD22 ASN A 833 -11.598 13.656 64.046 1.00 33.57 H new ATOM 1354 N TYR A 834 -13.794 12.525 59.375 1.00 23.01 N ATOM 1355 CA TYR A 834 -13.890 12.656 57.932 1.00 21.21 C ATOM 1356 C TYR A 834 -15.217 12.105 57.435 1.00 21.86 C ATOM 1357 O TYR A 834 -15.772 12.597 56.451 1.00 23.00 O ATOM 1358 CB TYR A 834 -12.708 11.964 57.239 1.00 19.74 C ATOM 1359 CG TYR A 834 -11.499 12.864 57.150 1.00 19.15 C ATOM 1360 CD1 TYR A 834 -10.741 13.162 58.279 1.00 20.49 C ATOM 1361 CD2 TYR A 834 -11.165 13.486 55.948 1.00 20.34 C ATOM 1362 CE1 TYR A 834 -9.678 14.063 58.213 1.00 20.10 C ATOM 1363 CE2 TYR A 834 -10.112 14.387 55.874 1.00 21.15 C ATOM 1364 CZ TYR A 834 -9.375 14.671 57.008 1.00 20.22 C ATOM 1365 OH TYR A 834 -8.337 15.574 56.932 1.00 20.34 O ATOM 0 H TYR A 834 -13.239 11.931 59.655 1.00 23.01 H new ATOM 0 HA TYR A 834 -13.852 13.599 57.707 1.00 21.21 H new ATOM 0 HB2 TYR A 834 -12.475 11.158 57.726 1.00 19.74 H new ATOM 0 HB3 TYR A 834 -12.973 11.690 56.347 1.00 19.74 H new ATOM 0 HD1 TYR A 834 -10.946 12.754 59.089 1.00 20.49 H new ATOM 0 HD2 TYR A 834 -11.656 13.294 55.182 1.00 20.34 H new ATOM 0 HE1 TYR A 834 -9.177 14.253 58.973 1.00 20.10 H new ATOM 0 HE2 TYR A 834 -9.904 14.797 55.066 1.00 21.15 H new ATOM 0 HH TYR A 834 -8.030 15.714 57.701 1.00 20.34 H new ATOM 1366 N ILE A 835 -15.738 11.094 58.122 1.00 21.56 N ATOM 1367 CA ILE A 835 -17.023 10.531 57.733 1.00 21.68 C ATOM 1368 C ILE A 835 -18.081 11.584 58.060 1.00 20.88 C ATOM 1369 O ILE A 835 -19.025 11.791 57.297 1.00 21.76 O ATOM 1370 CB ILE A 835 -17.315 9.214 58.484 1.00 21.39 C ATOM 1371 CG1 ILE A 835 -16.343 8.131 58.007 1.00 21.55 C ATOM 1372 CG2 ILE A 835 -18.752 8.773 58.226 1.00 23.06 C ATOM 1373 CD1 ILE A 835 -16.426 6.824 58.771 1.00 22.03 C ATOM 0 H ILE A 835 -15.370 10.725 58.806 1.00 21.56 H new ATOM 0 HA ILE A 835 -17.024 10.313 56.788 1.00 21.68 H new ATOM 0 HB ILE A 835 -17.198 9.355 59.437 1.00 21.39 H new ATOM 0 HG12 ILE A 835 -16.511 7.954 57.068 1.00 21.55 H new ATOM 0 HG13 ILE A 835 -15.438 8.474 58.074 1.00 21.55 H new ATOM 0 HG21 ILE A 835 -18.927 7.946 58.701 1.00 23.06 H new ATOM 0 HG22 ILE A 835 -19.362 9.460 58.538 1.00 23.06 H new ATOM 0 HG23 ILE A 835 -18.882 8.633 57.275 1.00 23.06 H new ATOM 0 HD11 ILE A 835 -15.782 6.196 58.409 1.00 22.03 H new ATOM 0 HD12 ILE A 835 -16.230 6.983 59.708 1.00 22.03 H new ATOM 0 HD13 ILE A 835 -17.319 6.456 58.686 1.00 22.03 H new ATOM 1374 N LYS A 836 -17.892 12.263 59.187 1.00 21.58 N ATOM 1375 CA LYS A 836 -18.797 13.322 59.621 1.00 23.23 C ATOM 1376 C LYS A 836 -18.817 14.456 58.594 1.00 23.34 C ATOM 1377 O LYS A 836 -19.872 15.011 58.290 1.00 23.11 O ATOM 1378 CB LYS A 836 -18.347 13.872 60.976 1.00 25.78 C ATOM 1379 CG LYS A 836 -19.208 15.002 61.506 1.00 31.62 C ATOM 1380 CD LYS A 836 -18.662 15.544 62.819 1.00 34.95 C ATOM 1381 CE LYS A 836 -18.599 14.462 63.889 1.00 38.24 C ATOM 1382 NZ LYS A 836 -18.021 14.980 65.163 1.00 40.86 N ATOM 0 H LYS A 836 -17.234 12.122 59.723 1.00 21.58 H new ATOM 0 HA LYS A 836 -19.689 12.951 59.703 1.00 23.23 H new ATOM 0 HB2 LYS A 836 -18.346 13.149 61.623 1.00 25.78 H new ATOM 0 HB3 LYS A 836 -17.432 14.185 60.899 1.00 25.78 H new ATOM 0 HG2 LYS A 836 -19.248 15.716 60.851 1.00 31.62 H new ATOM 0 HG3 LYS A 836 -20.116 14.686 61.637 1.00 31.62 H new ATOM 0 HD2 LYS A 836 -17.775 15.910 62.675 1.00 34.95 H new ATOM 0 HD3 LYS A 836 -19.223 16.273 63.127 1.00 34.95 H new ATOM 0 HE2 LYS A 836 -19.491 14.117 64.054 1.00 38.24 H new ATOM 0 HE3 LYS A 836 -18.063 13.720 63.568 1.00 38.24 H new ATOM 0 HZ1 LYS A 836 -17.998 14.326 65.766 1.00 40.86 H new ATOM 0 HZ2 LYS A 836 -17.195 15.277 65.016 1.00 40.86 H new ATOM 0 HZ3 LYS A 836 -18.525 15.647 65.468 1.00 40.86 H new ATOM 1383 N GLU A 837 -17.648 14.807 58.067 1.00 21.54 N ATOM 1384 CA GLU A 837 -17.571 15.871 57.072 1.00 21.83 C ATOM 1385 C GLU A 837 -18.261 15.439 55.784 1.00 21.73 C ATOM 1386 O GLU A 837 -18.853 16.261 55.080 1.00 23.16 O ATOM 1387 CB GLU A 837 -16.113 16.246 56.791 1.00 21.89 C ATOM 1388 CG GLU A 837 -15.421 16.975 57.937 1.00 24.33 C ATOM 1389 CD GLU A 837 -16.180 18.214 58.403 1.00 26.94 C ATOM 1390 OE1 GLU A 837 -16.670 18.979 57.547 1.00 26.67 O ATOM 1391 OE2 GLU A 837 -16.272 18.430 59.631 1.00 30.04 O ATOM 0 H GLU A 837 -16.894 14.445 58.270 1.00 21.54 H new ATOM 0 HA GLU A 837 -18.025 16.652 57.425 1.00 21.83 H new ATOM 0 HB2 GLU A 837 -15.616 15.438 56.588 1.00 21.89 H new ATOM 0 HB3 GLU A 837 -16.081 16.805 55.999 1.00 21.89 H new ATOM 0 HG2 GLU A 837 -15.317 16.366 58.685 1.00 24.33 H new ATOM 0 HG3 GLU A 837 -14.530 17.235 57.657 1.00 24.33 H new ATOM 1392 N LEU A 838 -18.183 14.151 55.465 1.00 21.65 N ATOM 1393 CA LEU A 838 -18.844 13.656 54.268 1.00 21.40 C ATOM 1394 C LEU A 838 -20.352 13.810 54.485 1.00 23.70 C ATOM 1395 O LEU A 838 -21.092 14.128 53.556 1.00 21.51 O ATOM 1396 CB LEU A 838 -18.490 12.186 54.009 1.00 21.57 C ATOM 1397 CG LEU A 838 -19.069 11.590 52.716 1.00 20.94 C ATOM 1398 CD1 LEU A 838 -18.539 12.366 51.514 1.00 22.32 C ATOM 1399 CD2 LEU A 838 -18.707 10.118 52.604 1.00 22.69 C ATOM 0 H LEU A 838 -17.759 13.558 55.921 1.00 21.65 H new ATOM 0 HA LEU A 838 -18.552 14.160 53.492 1.00 21.40 H new ATOM 0 HB2 LEU A 838 -17.524 12.101 53.983 1.00 21.57 H new ATOM 0 HB3 LEU A 838 -18.801 11.656 54.760 1.00 21.57 H new ATOM 0 HG LEU A 838 -20.036 11.662 52.736 1.00 20.94 H new ATOM 0 HD11 LEU A 838 -18.905 11.989 50.698 1.00 22.32 H new ATOM 0 HD12 LEU A 838 -18.804 13.296 51.587 1.00 22.32 H new ATOM 0 HD13 LEU A 838 -17.571 12.306 51.491 1.00 22.32 H new ATOM 0 HD21 LEU A 838 -19.078 9.755 51.785 1.00 22.69 H new ATOM 0 HD22 LEU A 838 -17.742 10.022 52.592 1.00 22.69 H new ATOM 0 HD23 LEU A 838 -19.070 9.637 53.364 1.00 22.69 H new ATOM 1400 N ASP A 839 -20.803 13.594 55.720 1.00 25.06 N ATOM 1401 CA ASP A 839 -22.226 13.734 56.041 1.00 27.18 C ATOM 1402 C ASP A 839 -22.673 15.165 55.792 1.00 27.42 C ATOM 1403 O ASP A 839 -23.729 15.411 55.205 1.00 28.24 O ATOM 1404 CB ASP A 839 -22.508 13.407 57.512 1.00 28.55 C ATOM 1405 CG ASP A 839 -22.414 11.931 57.819 1.00 31.84 C ATOM 1406 OD1 ASP A 839 -22.835 11.119 56.969 1.00 32.87 O ATOM 1407 OD2 ASP A 839 -21.940 11.587 58.924 1.00 34.21 O ATOM 0 H ASP A 839 -20.306 13.367 56.384 1.00 25.06 H new ATOM 0 HA ASP A 839 -22.710 13.113 55.475 1.00 27.18 H new ATOM 0 HB2 ASP A 839 -21.879 13.889 58.071 1.00 28.55 H new ATOM 0 HB3 ASP A 839 -23.395 13.724 57.744 1.00 28.55 H new ATOM 1408 N ARG A 840 -21.863 16.107 56.262 1.00 28.00 N ATOM 1409 CA ARG A 840 -22.172 17.521 56.115 1.00 28.06 C ATOM 1410 C ARG A 840 -22.288 17.912 54.650 1.00 28.00 C ATOM 1411 O ARG A 840 -23.192 18.657 54.272 1.00 28.09 O ATOM 1412 CB ARG A 840 -21.100 18.369 56.802 1.00 30.17 C ATOM 1413 CG ARG A 840 -21.051 18.179 58.310 1.00 34.65 C ATOM 1414 CD ARG A 840 -20.034 19.099 58.963 1.00 39.66 C ATOM 1415 NE ARG A 840 -19.948 18.874 60.404 1.00 43.39 N ATOM 1416 CZ ARG A 840 -19.121 19.526 61.216 1.00 45.52 C ATOM 1417 NH1 ARG A 840 -18.304 20.452 60.731 1.00 46.63 N ATOM 1418 NH2 ARG A 840 -19.109 19.249 62.513 1.00 47.08 N ATOM 0 H ARG A 840 -21.125 15.945 56.672 1.00 28.00 H new ATOM 0 HA ARG A 840 -23.029 17.685 56.538 1.00 28.06 H new ATOM 0 HB2 ARG A 840 -20.233 18.148 56.427 1.00 30.17 H new ATOM 0 HB3 ARG A 840 -21.263 19.305 56.606 1.00 30.17 H new ATOM 0 HG2 ARG A 840 -21.929 18.349 58.686 1.00 34.65 H new ATOM 0 HG3 ARG A 840 -20.829 17.257 58.513 1.00 34.65 H new ATOM 0 HD2 ARG A 840 -19.163 18.956 58.561 1.00 39.66 H new ATOM 0 HD3 ARG A 840 -20.277 20.023 58.793 1.00 39.66 H new ATOM 0 HE ARG A 840 -20.466 18.281 60.750 1.00 43.39 H new ATOM 0 HH11 ARG A 840 -18.309 20.632 59.890 1.00 46.63 H new ATOM 0 HH12 ARG A 840 -17.770 20.873 61.258 1.00 46.63 H new ATOM 0 HH21 ARG A 840 -19.636 18.648 62.829 1.00 47.08 H new ATOM 0 HH22 ARG A 840 -18.574 19.671 63.038 1.00 47.08 H new ATOM 1419 N ILE A 841 -21.381 17.400 53.826 1.00 25.85 N ATOM 1420 CA ILE A 841 -21.400 17.712 52.404 1.00 26.02 C ATOM 1421 C ILE A 841 -22.675 17.180 51.757 1.00 25.96 C ATOM 1422 O ILE A 841 -23.253 17.822 50.880 1.00 27.35 O ATOM 1423 CB ILE A 841 -20.154 17.117 51.691 1.00 25.22 C ATOM 1424 CG1AILE A 841 -18.888 17.799 52.211 0.50 22.74 C ATOM 1425 CG1BILE A 841 -19.857 17.912 50.424 0.50 28.85 C ATOM 1426 CG2AILE A 841 -20.301 17.247 50.178 0.50 23.69 C ATOM 1427 CG2BILE A 841 -20.392 15.672 51.294 0.50 28.59 C ATOM 1428 CD1AILE A 841 -17.598 17.217 51.661 0.50 21.89 C ATOM 1429 CD1BILE A 841 -18.737 17.318 49.600 0.50 28.62 C ATOM 0 H ILE A 841 -20.748 16.871 54.070 1.00 25.85 H new ATOM 0 HA ILE A 841 -21.379 18.677 52.308 1.00 26.02 H new ATOM 0 HB AILE A 841 -20.081 16.171 51.891 0.50 25.22 H new ATOM 0 HB BILE A 841 -19.408 17.164 52.310 0.50 25.22 H new ATOM 0 HG12AILE A 841 -18.926 18.742 51.989 0.50 28.85 H new ATOM 0 HG12BILE A 841 -20.660 17.959 49.882 0.50 28.85 H new ATOM 0 HG13AILE A 841 -18.873 17.736 53.179 0.50 28.85 H new ATOM 0 HG13BILE A 841 -19.625 18.822 50.667 0.50 28.85 H new ATOM 0 HG21AILE A 841 -19.519 16.873 49.743 0.50 28.59 H new ATOM 0 HG21BILE A 841 -19.602 15.323 50.852 0.50 28.59 H new ATOM 0 HG22AILE A 841 -21.092 16.767 49.887 0.50 28.59 H new ATOM 0 HG22BILE A 841 -20.577 15.145 52.087 0.50 28.59 H new ATOM 0 HG23AILE A 841 -20.386 18.184 49.940 0.50 28.59 H new ATOM 0 HG23BILE A 841 -21.149 15.623 50.689 0.50 28.59 H new ATOM 0 HD11AILE A 841 -16.842 17.697 52.033 0.50 28.62 H new ATOM 0 HD11BILE A 841 -18.592 17.862 48.810 0.50 28.62 H new ATOM 0 HD12AILE A 841 -17.536 16.280 51.903 0.50 28.62 H new ATOM 0 HD12BILE A 841 -17.924 17.293 50.129 0.50 28.62 H new ATOM 0 HD13AILE A 841 -17.591 17.302 50.695 0.50 28.62 H new ATOM 0 HD13BILE A 841 -18.975 16.417 49.332 0.50 28.62 H new ATOM 1430 N ILE A 842 -23.112 16.008 52.205 1.00 25.26 N ATOM 1431 CA ILE A 842 -24.315 15.376 51.677 1.00 25.53 C ATOM 1432 C ILE A 842 -25.567 16.147 52.075 1.00 28.15 C ATOM 1433 O ILE A 842 -26.489 16.302 51.277 1.00 30.03 O ATOM 1434 CB ILE A 842 -24.440 13.922 52.190 1.00 23.81 C ATOM 1435 CG1 ILE A 842 -23.339 13.058 51.567 1.00 22.77 C ATOM 1436 CG2 ILE A 842 -25.814 13.360 51.859 1.00 24.46 C ATOM 1437 CD1 ILE A 842 -23.334 11.612 52.056 1.00 22.36 C ATOM 0 H ILE A 842 -22.720 15.557 52.823 1.00 25.26 H new ATOM 0 HA ILE A 842 -24.236 15.376 50.710 1.00 25.53 H new ATOM 0 HB ILE A 842 -24.335 13.916 53.154 1.00 23.81 H new ATOM 0 HG12 ILE A 842 -23.443 13.063 50.603 1.00 22.77 H new ATOM 0 HG13 ILE A 842 -22.477 13.459 51.761 1.00 22.77 H new ATOM 0 HG21 ILE A 842 -25.879 12.449 52.186 1.00 24.46 H new ATOM 0 HG22 ILE A 842 -26.497 13.904 52.282 1.00 24.46 H new ATOM 0 HG23 ILE A 842 -25.944 13.368 50.898 1.00 24.46 H new ATOM 0 HD11 ILE A 842 -22.615 11.126 51.622 1.00 22.36 H new ATOM 0 HD12 ILE A 842 -23.201 11.596 53.017 1.00 22.36 H new ATOM 0 HD13 ILE A 842 -24.182 11.194 51.840 1.00 22.36 H new ATOM 1438 N ALA A 843 -25.590 16.633 53.310 1.00 30.25 N ATOM 1439 CA ALA A 843 -26.741 17.367 53.820 1.00 33.55 C ATOM 1440 C ALA A 843 -26.797 18.821 53.359 1.00 36.76 C ATOM 1441 O ALA A 843 -27.801 19.501 53.575 1.00 37.34 O ATOM 1442 CB ALA A 843 -26.753 17.305 55.341 1.00 33.19 C ATOM 0 H ALA A 843 -24.945 16.548 53.872 1.00 30.25 H new ATOM 0 HA ALA A 843 -27.529 16.936 53.453 1.00 33.55 H new ATOM 0 HB1 ALA A 843 -27.520 17.794 55.679 1.00 33.19 H new ATOM 0 HB2 ALA A 843 -26.808 16.380 55.627 1.00 33.19 H new ATOM 0 HB3 ALA A 843 -25.939 17.702 55.688 1.00 33.19 H new ATOM 1443 N CYS A 844 -25.729 19.294 52.722 1.00 38.56 N ATOM 1444 CA CYS A 844 -25.665 20.676 52.253 1.00 41.79 C ATOM 1445 C CYS A 844 -26.960 21.173 51.617 1.00 43.06 C ATOM 1446 O CYS A 844 -27.636 22.046 52.166 1.00 43.73 O ATOM 1447 CB CYS A 844 -24.520 20.849 51.252 1.00 41.81 C ATOM 1448 SG CYS A 844 -24.388 22.530 50.586 1.00 43.52 S ATOM 0 H CYS A 844 -25.027 18.828 52.551 1.00 38.56 H new ATOM 0 HA CYS A 844 -25.512 21.213 53.046 1.00 41.79 H new ATOM 0 HB2 CYS A 844 -23.684 20.614 51.684 1.00 41.81 H new ATOM 0 HB3 CYS A 844 -24.645 20.227 50.518 1.00 41.81 H new ATOM 0 HG CYS A 844 -23.471 22.584 49.814 1.00 43.52 H new ATOM 1449 N LYS A 845 -27.299 20.621 50.456 1.00 44.52 N ATOM 1450 CA LYS A 845 -28.507 21.020 49.741 1.00 45.65 C ATOM 1451 C LYS A 845 -29.641 20.013 49.905 1.00 45.72 C ATOM 1452 O LYS A 845 -30.617 20.040 49.155 1.00 46.27 O ATOM 1453 CB LYS A 845 -28.195 21.209 48.253 1.00 46.47 C ATOM 1454 CG LYS A 845 -28.498 22.604 47.725 1.00 47.84 C ATOM 1455 CD LYS A 845 -27.693 23.663 48.461 1.00 47.99 C ATOM 1456 CE LYS A 845 -28.037 25.057 47.968 1.00 48.91 C ATOM 1457 NZ LYS A 845 -27.306 26.106 48.732 1.00 49.70 N ATOM 0 H LYS A 845 -26.839 20.009 50.063 1.00 44.52 H new ATOM 0 HA LYS A 845 -28.805 21.858 50.128 1.00 45.65 H new ATOM 0 HB2 LYS A 845 -27.257 21.014 48.102 1.00 46.47 H new ATOM 0 HB3 LYS A 845 -28.705 20.562 47.741 1.00 46.47 H new ATOM 0 HG2 LYS A 845 -28.297 22.643 46.777 1.00 47.84 H new ATOM 0 HG3 LYS A 845 -29.445 22.790 47.822 1.00 47.84 H new ATOM 0 HD2 LYS A 845 -27.868 23.602 49.413 1.00 47.99 H new ATOM 0 HD3 LYS A 845 -26.745 23.498 48.335 1.00 47.99 H new ATOM 0 HE2 LYS A 845 -27.818 25.131 47.026 1.00 48.91 H new ATOM 0 HE3 LYS A 845 -28.992 25.203 48.050 1.00 48.91 H new ATOM 0 HZ1 LYS A 845 -27.528 26.910 48.420 1.00 49.70 H new ATOM 0 HZ2 LYS A 845 -27.523 26.052 49.593 1.00 49.70 H new ATOM 0 HZ3 LYS A 845 -26.429 25.984 48.639 1.00 49.70 H new ATOM 1458 N ARG A 846 -29.504 19.124 50.884 1.00 45.47 N ATOM 1459 CA ARG A 846 -30.525 18.116 51.150 1.00 45.25 C ATOM 1460 C ARG A 846 -31.130 18.353 52.529 1.00 46.47 C ATOM 1461 O ARG A 846 -30.442 18.259 53.546 1.00 47.38 O ATOM 1462 CB ARG A 846 -29.924 16.709 51.086 1.00 43.26 C ATOM 1463 CG ARG A 846 -29.364 16.323 49.725 1.00 40.41 C ATOM 1464 CD ARG A 846 -29.009 14.841 49.690 1.00 38.03 C ATOM 1465 NE ARG A 846 -28.506 14.417 48.387 1.00 36.13 N ATOM 1466 CZ ARG A 846 -27.299 14.709 47.916 1.00 35.35 C ATOM 1467 NH1 ARG A 846 -26.456 15.428 48.643 1.00 34.60 N ATOM 1468 NH2 ARG A 846 -26.937 14.285 46.712 1.00 33.87 N ATOM 0 H ARG A 846 -28.823 19.088 51.408 1.00 45.47 H new ATOM 0 HA ARG A 846 -31.216 18.188 50.473 1.00 45.25 H new ATOM 0 HB2 ARG A 846 -29.216 16.642 51.745 1.00 43.26 H new ATOM 0 HB3 ARG A 846 -30.606 16.067 51.336 1.00 43.26 H new ATOM 0 HG2 ARG A 846 -30.015 16.521 49.034 1.00 40.41 H new ATOM 0 HG3 ARG A 846 -28.576 16.854 49.532 1.00 40.41 H new ATOM 0 HD2 ARG A 846 -28.340 14.656 50.367 1.00 38.03 H new ATOM 0 HD3 ARG A 846 -29.794 14.318 49.916 1.00 38.03 H new ATOM 0 HE ARG A 846 -29.027 13.946 47.890 1.00 36.13 H new ATOM 0 HH11 ARG A 846 -26.690 15.707 49.422 1.00 34.60 H new ATOM 0 HH12 ARG A 846 -25.675 15.616 48.336 1.00 34.60 H new ATOM 0 HH21 ARG A 846 -27.484 13.821 46.237 1.00 33.87 H new ATOM 0 HH22 ARG A 846 -26.156 14.474 46.407 1.00 33.87 H new ATOM 1469 N LYS A 847 -32.421 18.661 52.557 1.00 47.29 N ATOM 1470 CA LYS A 847 -33.110 18.923 53.814 1.00 48.38 C ATOM 1471 C LYS A 847 -33.900 17.690 54.239 1.00 48.17 C ATOM 1472 O LYS A 847 -34.518 17.669 55.304 1.00 49.18 O ATOM 1473 CB LYS A 847 -34.052 20.120 53.648 1.00 49.30 C ATOM 1474 CG LYS A 847 -34.464 20.788 54.950 1.00 50.00 C ATOM 1475 CD LYS A 847 -33.259 21.376 55.673 1.00 50.31 C ATOM 1476 CE LYS A 847 -33.681 22.181 56.891 1.00 51.12 C ATOM 1477 NZ LYS A 847 -34.548 23.338 56.522 1.00 51.34 N ATOM 0 H LYS A 847 -32.917 18.724 51.857 1.00 47.29 H new ATOM 0 HA LYS A 847 -32.456 19.128 54.500 1.00 48.38 H new ATOM 0 HB2 LYS A 847 -33.621 20.780 53.082 1.00 49.30 H new ATOM 0 HB3 LYS A 847 -34.851 19.826 53.183 1.00 49.30 H new ATOM 0 HG2 LYS A 847 -35.108 21.489 54.767 1.00 50.00 H new ATOM 0 HG3 LYS A 847 -34.904 20.141 55.523 1.00 50.00 H new ATOM 0 HD2 LYS A 847 -32.663 20.661 55.946 1.00 50.31 H new ATOM 0 HD3 LYS A 847 -32.760 21.944 55.065 1.00 50.31 H new ATOM 0 HE2 LYS A 847 -34.157 21.605 57.509 1.00 51.12 H new ATOM 0 HE3 LYS A 847 -32.892 22.504 57.354 1.00 51.12 H new ATOM 0 HZ1 LYS A 847 -34.551 23.931 57.186 1.00 51.34 H new ATOM 0 HZ2 LYS A 847 -34.233 23.722 55.783 1.00 51.34 H new ATOM 0 HZ3 LYS A 847 -35.378 23.053 56.376 1.00 51.34 H new ATOM 1478 N ASN A 848 -33.867 16.662 53.397 1.00 47.31 N ATOM 1479 CA ASN A 848 -34.575 15.414 53.658 1.00 46.26 C ATOM 1480 C ASN A 848 -33.599 14.334 54.131 1.00 45.19 C ATOM 1481 O ASN A 848 -32.714 13.915 53.385 1.00 44.31 O ATOM 1482 CB ASN A 848 -35.288 14.960 52.380 1.00 47.24 C ATOM 1483 CG ASN A 848 -36.080 13.684 52.571 1.00 48.56 C ATOM 1484 OD1 ASN A 848 -35.527 12.647 52.928 1.00 49.66 O ATOM 1485 ND2 ASN A 848 -37.384 13.755 52.330 1.00 49.15 N ATOM 0 H ASN A 848 -33.432 16.669 52.655 1.00 47.31 H new ATOM 0 HA ASN A 848 -35.230 15.559 54.359 1.00 46.26 H new ATOM 0 HB2 ASN A 848 -35.884 15.664 52.080 1.00 47.24 H new ATOM 0 HB3 ASN A 848 -34.631 14.826 51.679 1.00 47.24 H new ATOM 0 HD21 ASN A 848 -37.877 13.056 52.422 1.00 49.15 H new ATOM 0 HD22 ASN A 848 -37.735 14.500 52.082 1.00 49.15 H new ATOM 1486 N PRO A 849 -33.756 13.863 55.379 1.00 43.76 N ATOM 1487 CA PRO A 849 -32.875 12.830 55.936 1.00 42.03 C ATOM 1488 C PRO A 849 -32.817 11.551 55.104 1.00 40.43 C ATOM 1489 O PRO A 849 -31.790 10.870 55.066 1.00 38.70 O ATOM 1490 CB PRO A 849 -33.455 12.599 57.331 1.00 43.20 C ATOM 1491 CG PRO A 849 -34.914 12.901 57.139 1.00 44.47 C ATOM 1492 CD PRO A 849 -34.865 14.155 56.304 1.00 44.07 C ATOM 0 HA PRO A 849 -31.947 13.111 55.948 1.00 42.03 H new ATOM 0 HB2 PRO A 849 -33.313 11.689 57.634 1.00 43.20 H new ATOM 0 HB3 PRO A 849 -33.050 13.184 57.991 1.00 43.20 H new ATOM 0 HG2 PRO A 849 -35.378 12.180 56.685 1.00 44.47 H new ATOM 0 HG3 PRO A 849 -35.370 13.044 57.983 1.00 44.47 H new ATOM 0 HD2 PRO A 849 -35.699 14.311 55.834 1.00 44.07 H new ATOM 0 HD3 PRO A 849 -34.691 14.943 56.842 1.00 44.07 H new ATOM 1493 N THR A 850 -33.918 11.226 54.436 1.00 38.38 N ATOM 1494 CA THR A 850 -33.967 10.030 53.605 1.00 37.12 C ATOM 1495 C THR A 850 -33.087 10.185 52.368 1.00 35.46 C ATOM 1496 O THR A 850 -32.415 9.238 51.958 1.00 34.59 O ATOM 1497 CB THR A 850 -35.411 9.715 53.162 1.00 37.77 C ATOM 1498 OG1 THR A 850 -36.193 9.360 54.310 1.00 38.62 O ATOM 1499 CG2 THR A 850 -35.427 8.564 52.165 1.00 38.25 C ATOM 0 H THR A 850 -34.646 11.684 54.450 1.00 38.38 H new ATOM 0 HA THR A 850 -33.634 9.296 54.144 1.00 37.12 H new ATOM 0 HB THR A 850 -35.785 10.502 52.736 1.00 37.77 H new ATOM 0 HG1 THR A 850 -36.980 9.189 54.071 1.00 38.62 H new ATOM 0 HG21 THR A 850 -36.341 8.380 51.898 1.00 38.25 H new ATOM 0 HG22 THR A 850 -34.905 8.805 51.384 1.00 38.25 H new ATOM 0 HG23 THR A 850 -35.046 7.773 52.577 1.00 38.25 H new ATOM 1500 N SER A 851 -33.090 11.377 51.775 1.00 34.66 N ATOM 1501 CA SER A 851 -32.277 11.627 50.590 1.00 33.56 C ATOM 1502 C SER A 851 -30.802 11.581 50.976 1.00 31.89 C ATOM 1503 O SER A 851 -29.964 11.139 50.194 1.00 31.33 O ATOM 1504 CB SER A 851 -32.615 12.989 49.970 1.00 35.10 C ATOM 1505 OG SER A 851 -32.211 14.058 50.808 1.00 39.81 O ATOM 0 H SER A 851 -33.554 12.050 52.042 1.00 34.66 H new ATOM 0 HA SER A 851 -32.466 10.942 49.930 1.00 33.56 H new ATOM 0 HB2 SER A 851 -32.178 13.070 49.108 1.00 35.10 H new ATOM 0 HB3 SER A 851 -33.570 13.045 49.811 1.00 35.10 H new ATOM 0 HG SER A 851 -32.304 13.834 51.612 1.00 39.81 H new ATOM 1506 N CYS A 852 -30.492 12.039 52.185 1.00 30.29 N ATOM 1507 CA CYS A 852 -29.119 12.017 52.668 1.00 29.01 C ATOM 1508 C CYS A 852 -28.693 10.563 52.850 1.00 28.06 C ATOM 1509 O CYS A 852 -27.586 10.178 52.475 1.00 26.66 O ATOM 1510 CB CYS A 852 -29.002 12.757 54.004 1.00 29.55 C ATOM 1511 SG CYS A 852 -29.255 14.548 53.910 1.00 32.68 S ATOM 0 H CYS A 852 -31.062 12.366 52.739 1.00 30.29 H new ATOM 0 HA CYS A 852 -28.545 12.461 52.024 1.00 29.01 H new ATOM 0 HB2 CYS A 852 -29.649 12.384 54.623 1.00 29.55 H new ATOM 0 HB3 CYS A 852 -28.123 12.587 54.377 1.00 29.55 H new ATOM 0 HG CYS A 852 -30.417 14.779 53.718 1.00 32.68 H new ATOM 1512 N SER A 853 -29.578 9.756 53.430 1.00 27.39 N ATOM 1513 CA SER A 853 -29.279 8.345 53.652 1.00 27.53 C ATOM 1514 C SER A 853 -29.006 7.626 52.336 1.00 25.93 C ATOM 1515 O SER A 853 -28.071 6.831 52.236 1.00 25.31 O ATOM 1516 CB SER A 853 -30.441 7.656 54.373 1.00 28.03 C ATOM 1517 OG SER A 853 -30.632 8.211 55.663 1.00 34.70 O ATOM 0 H SER A 853 -30.355 10.005 53.701 1.00 27.39 H new ATOM 0 HA SER A 853 -28.483 8.299 54.205 1.00 27.53 H new ATOM 0 HB2 SER A 853 -31.253 7.752 53.851 1.00 28.03 H new ATOM 0 HB3 SER A 853 -30.263 6.706 54.448 1.00 28.03 H new ATOM 0 HG SER A 853 -30.949 8.986 55.591 1.00 34.70 H new ATOM 1518 N ARG A 854 -29.820 7.905 51.325 1.00 25.08 N ATOM 1519 CA ARG A 854 -29.641 7.264 50.032 1.00 26.12 C ATOM 1520 C ARG A 854 -28.324 7.688 49.385 1.00 24.60 C ATOM 1521 O ARG A 854 -27.654 6.873 48.752 1.00 23.50 O ATOM 1522 CB ARG A 854 -30.831 7.579 49.128 1.00 28.73 C ATOM 1523 CG ARG A 854 -32.146 7.126 49.752 1.00 33.78 C ATOM 1524 CD ARG A 854 -33.358 7.444 48.897 1.00 38.50 C ATOM 1525 NE ARG A 854 -33.430 6.608 47.704 1.00 43.29 N ATOM 1526 CZ ARG A 854 -34.534 6.438 46.983 1.00 44.55 C ATOM 1527 NH1 ARG A 854 -35.658 7.046 47.339 1.00 45.70 N ATOM 1528 NH2 ARG A 854 -34.515 5.657 45.910 1.00 46.71 N ATOM 0 H ARG A 854 -30.477 8.458 51.367 1.00 25.08 H new ATOM 0 HA ARG A 854 -29.599 6.304 50.163 1.00 26.12 H new ATOM 0 HB2 ARG A 854 -30.865 8.533 48.957 1.00 28.73 H new ATOM 0 HB3 ARG A 854 -30.711 7.142 48.270 1.00 28.73 H new ATOM 0 HG2 ARG A 854 -32.110 6.169 49.908 1.00 33.78 H new ATOM 0 HG3 ARG A 854 -32.249 7.551 50.618 1.00 33.78 H new ATOM 0 HD2 ARG A 854 -34.163 7.322 49.424 1.00 38.50 H new ATOM 0 HD3 ARG A 854 -33.330 8.377 48.634 1.00 38.50 H new ATOM 0 HE ARG A 854 -32.716 6.201 47.452 1.00 43.29 H new ATOM 0 HH11 ARG A 854 -35.672 7.550 48.036 1.00 45.70 H new ATOM 0 HH12 ARG A 854 -36.372 6.936 46.873 1.00 45.70 H new ATOM 0 HH21 ARG A 854 -33.788 5.260 45.680 1.00 46.71 H new ATOM 0 HH22 ARG A 854 -35.230 5.548 45.445 1.00 46.71 H new ATOM 1529 N ARG A 855 -27.943 8.950 49.560 1.00 21.89 N ATOM 1530 CA ARG A 855 -26.687 9.427 48.988 1.00 20.04 C ATOM 1531 C ARG A 855 -25.515 8.781 49.722 1.00 19.45 C ATOM 1532 O ARG A 855 -24.540 8.363 49.097 1.00 18.94 O ATOM 1533 CB ARG A 855 -26.583 10.952 49.090 1.00 20.84 C ATOM 1534 CG ARG A 855 -25.391 11.535 48.329 1.00 21.93 C ATOM 1535 CD ARG A 855 -25.425 11.076 46.882 1.00 19.99 C ATOM 1536 NE ARG A 855 -24.451 11.765 46.036 1.00 20.84 N ATOM 1537 CZ ARG A 855 -24.302 11.522 44.737 1.00 21.02 C ATOM 1538 NH1 ARG A 855 -25.060 10.607 44.148 1.00 19.82 N ATOM 1539 NH2 ARG A 855 -23.403 12.195 44.025 1.00 19.18 N ATOM 0 H ARG A 855 -28.390 9.539 50.000 1.00 21.89 H new ATOM 0 HA ARG A 855 -26.663 9.182 48.050 1.00 20.04 H new ATOM 0 HB2 ARG A 855 -27.400 11.348 48.749 1.00 20.84 H new ATOM 0 HB3 ARG A 855 -26.515 11.203 50.025 1.00 20.84 H new ATOM 0 HG2 ARG A 855 -25.414 12.504 48.370 1.00 21.93 H new ATOM 0 HG3 ARG A 855 -24.562 11.253 48.746 1.00 21.93 H new ATOM 0 HD2 ARG A 855 -25.257 10.121 46.848 1.00 19.99 H new ATOM 0 HD3 ARG A 855 -26.315 11.220 46.524 1.00 19.99 H new ATOM 0 HE ARG A 855 -23.947 12.360 46.399 1.00 20.84 H new ATOM 0 HH11 ARG A 855 -25.645 10.174 44.606 1.00 19.82 H new ATOM 0 HH12 ARG A 855 -24.967 10.447 43.308 1.00 19.82 H new ATOM 0 HH21 ARG A 855 -22.913 12.792 44.404 1.00 19.18 H new ATOM 0 HH22 ARG A 855 -23.311 12.034 43.185 1.00 19.18 H new ATOM 1540 N PHE A 856 -25.607 8.694 51.048 1.00 19.56 N ATOM 1541 CA PHE A 856 -24.533 8.080 51.824 1.00 19.11 C ATOM 1542 C PHE A 856 -24.351 6.633 51.366 1.00 19.52 C ATOM 1543 O PHE A 856 -23.229 6.144 51.249 1.00 19.46 O ATOM 1544 CB PHE A 856 -24.858 8.112 53.321 1.00 20.59 C ATOM 1545 CG PHE A 856 -23.701 7.726 54.197 1.00 20.63 C ATOM 1546 CD1 PHE A 856 -22.618 8.587 54.362 1.00 21.50 C ATOM 1547 CD2 PHE A 856 -23.678 6.492 54.839 1.00 21.59 C ATOM 1548 CE1 PHE A 856 -21.529 8.223 55.157 1.00 21.94 C ATOM 1549 CE2 PHE A 856 -22.594 6.119 55.633 1.00 22.84 C ATOM 1550 CZ PHE A 856 -21.518 6.986 55.792 1.00 22.06 C ATOM 0 H PHE A 856 -26.273 8.980 51.511 1.00 19.56 H new ATOM 0 HA PHE A 856 -23.714 8.579 51.680 1.00 19.11 H new ATOM 0 HB2 PHE A 856 -25.152 9.005 53.561 1.00 20.59 H new ATOM 0 HB3 PHE A 856 -25.600 7.512 53.496 1.00 20.59 H new ATOM 0 HD1 PHE A 856 -22.620 9.414 53.937 1.00 21.50 H new ATOM 0 HD2 PHE A 856 -24.395 5.908 54.737 1.00 21.59 H new ATOM 0 HE1 PHE A 856 -20.813 8.807 55.261 1.00 21.94 H new ATOM 0 HE2 PHE A 856 -22.590 5.291 56.056 1.00 22.84 H new ATOM 0 HZ PHE A 856 -20.794 6.739 56.321 1.00 22.06 H new ATOM 1551 N TYR A 857 -25.462 5.948 51.114 1.00 17.95 N ATOM 1552 CA TYR A 857 -25.411 4.565 50.655 1.00 19.87 C ATOM 1553 C TYR A 857 -24.624 4.483 49.346 1.00 19.94 C ATOM 1554 O TYR A 857 -23.728 3.649 49.197 1.00 19.71 O ATOM 1555 CB TYR A 857 -26.830 4.027 50.432 1.00 21.06 C ATOM 1556 CG TYR A 857 -26.873 2.619 49.882 1.00 23.59 C ATOM 1557 CD1 TYR A 857 -26.664 1.518 50.710 1.00 26.09 C ATOM 1558 CD2 TYR A 857 -27.106 2.389 48.527 1.00 26.45 C ATOM 1559 CE1 TYR A 857 -26.687 0.216 50.199 1.00 28.46 C ATOM 1560 CE2 TYR A 857 -27.129 1.098 48.007 1.00 28.38 C ATOM 1561 CZ TYR A 857 -26.919 0.018 48.848 1.00 29.58 C ATOM 1562 OH TYR A 857 -26.944 -1.261 48.338 1.00 34.18 O ATOM 0 H TYR A 857 -26.256 6.266 51.203 1.00 17.95 H new ATOM 0 HA TYR A 857 -24.971 4.028 51.332 1.00 19.87 H new ATOM 0 HB2 TYR A 857 -27.311 4.051 51.274 1.00 21.06 H new ATOM 0 HB3 TYR A 857 -27.298 4.618 49.821 1.00 21.06 H new ATOM 0 HD1 TYR A 857 -26.507 1.651 51.617 1.00 26.09 H new ATOM 0 HD2 TYR A 857 -27.249 3.112 47.960 1.00 26.45 H new ATOM 0 HE1 TYR A 857 -26.548 -0.511 50.762 1.00 28.46 H new ATOM 0 HE2 TYR A 857 -27.284 0.962 47.100 1.00 28.38 H new ATOM 0 HH TYR A 857 -27.095 -1.231 47.512 1.00 34.18 H new ATOM 1563 N GLN A 858 -24.959 5.364 48.407 1.00 19.67 N ATOM 1564 CA GLN A 858 -24.293 5.398 47.105 1.00 19.49 C ATOM 1565 C GLN A 858 -22.792 5.638 47.224 1.00 18.59 C ATOM 1566 O GLN A 858 -21.991 4.913 46.633 1.00 19.97 O ATOM 1567 CB GLN A 858 -24.885 6.499 46.222 1.00 19.21 C ATOM 1568 CG GLN A 858 -26.336 6.287 45.795 1.00 22.05 C ATOM 1569 CD GLN A 858 -26.846 7.438 44.951 1.00 21.47 C ATOM 1570 OE1 GLN A 858 -26.781 8.595 45.362 1.00 23.24 O ATOM 1571 NE2 GLN A 858 -27.357 7.127 43.765 1.00 24.98 N ATOM 0 H GLN A 858 -25.575 5.956 48.505 1.00 19.67 H new ATOM 0 HA GLN A 858 -24.438 4.526 46.705 1.00 19.49 H new ATOM 0 HB2 GLN A 858 -24.824 7.342 46.698 1.00 19.21 H new ATOM 0 HB3 GLN A 858 -24.338 6.583 45.425 1.00 19.21 H new ATOM 0 HG2 GLN A 858 -26.408 5.460 45.293 1.00 22.05 H new ATOM 0 HG3 GLN A 858 -26.894 6.190 46.582 1.00 22.05 H new ATOM 0 HE21 GLN A 858 -27.386 6.306 43.511 1.00 24.98 H new ATOM 0 HE22 GLN A 858 -27.659 7.747 43.251 1.00 24.98 H new ATOM 1572 N LEU A 859 -22.418 6.656 47.990 1.00 18.84 N ATOM 1573 CA LEU A 859 -21.008 6.992 48.146 1.00 17.62 C ATOM 1574 C LEU A 859 -20.199 5.927 48.884 1.00 18.33 C ATOM 1575 O LEU A 859 -19.055 5.653 48.512 1.00 19.09 O ATOM 1576 CB LEU A 859 -20.861 8.353 48.833 1.00 18.61 C ATOM 1577 CG LEU A 859 -21.570 9.543 48.164 1.00 20.04 C ATOM 1578 CD1 LEU A 859 -21.102 10.838 48.815 1.00 20.61 C ATOM 1579 CD2 LEU A 859 -21.270 9.568 46.670 1.00 20.95 C ATOM 0 H LEU A 859 -22.960 7.162 48.425 1.00 18.84 H new ATOM 0 HA LEU A 859 -20.637 7.034 47.251 1.00 17.62 H new ATOM 0 HB2 LEU A 859 -21.195 8.272 49.740 1.00 18.61 H new ATOM 0 HB3 LEU A 859 -19.915 8.560 48.896 1.00 18.61 H new ATOM 0 HG LEU A 859 -22.528 9.451 48.281 1.00 20.04 H new ATOM 0 HD11 LEU A 859 -21.547 11.591 48.395 1.00 20.61 H new ATOM 0 HD12 LEU A 859 -21.318 10.821 49.761 1.00 20.61 H new ATOM 0 HD13 LEU A 859 -20.143 10.928 48.704 1.00 20.61 H new ATOM 0 HD21 LEU A 859 -21.723 10.322 46.261 1.00 20.95 H new ATOM 0 HD22 LEU A 859 -20.313 9.653 46.533 1.00 20.95 H new ATOM 0 HD23 LEU A 859 -21.583 8.745 46.263 1.00 20.95 H new ATOM 1580 N THR A 860 -20.767 5.315 49.921 1.00 16.82 N ATOM 1581 CA THR A 860 -20.021 4.277 50.630 1.00 17.50 C ATOM 1582 C THR A 860 -19.857 3.051 49.735 1.00 17.19 C ATOM 1583 O THR A 860 -18.850 2.344 49.810 1.00 17.43 O ATOM 1584 CB THR A 860 -20.697 3.882 51.969 1.00 18.32 C ATOM 1585 OG1 THR A 860 -22.076 3.576 51.744 1.00 19.64 O ATOM 1586 CG2 THR A 860 -20.579 5.023 52.973 1.00 20.78 C ATOM 0 H THR A 860 -21.556 5.478 50.222 1.00 16.82 H new ATOM 0 HA THR A 860 -19.148 4.639 50.847 1.00 17.50 H new ATOM 0 HB THR A 860 -20.250 3.100 52.328 1.00 18.32 H new ATOM 0 HG1 THR A 860 -22.190 2.745 51.791 1.00 19.64 H new ATOM 0 HG21 THR A 860 -21.004 4.766 53.806 1.00 20.78 H new ATOM 0 HG22 THR A 860 -19.642 5.216 53.135 1.00 20.78 H new ATOM 0 HG23 THR A 860 -21.015 5.813 52.618 1.00 20.78 H new ATOM 1587 N LYS A 861 -20.839 2.799 48.877 1.00 18.57 N ATOM 1588 CA LYS A 861 -20.735 1.680 47.949 1.00 19.73 C ATOM 1589 C LYS A 861 -19.612 1.986 46.958 1.00 19.13 C ATOM 1590 O LYS A 861 -18.807 1.113 46.623 1.00 19.15 O ATOM 1591 CB LYS A 861 -22.050 1.483 47.193 1.00 22.45 C ATOM 1592 CG LYS A 861 -23.056 0.617 47.931 1.00 23.38 C ATOM 1593 CD LYS A 861 -22.552 -0.812 48.015 1.00 25.81 C ATOM 1594 CE LYS A 861 -23.516 -1.709 48.762 1.00 29.15 C ATOM 1595 NZ LYS A 861 -23.010 -3.109 48.781 1.00 31.27 N ATOM 0 H LYS A 861 -21.564 3.257 48.816 1.00 18.57 H new ATOM 0 HA LYS A 861 -20.544 0.865 48.440 1.00 19.73 H new ATOM 0 HB2 LYS A 861 -22.448 2.351 47.021 1.00 22.45 H new ATOM 0 HB3 LYS A 861 -21.861 1.081 46.331 1.00 22.45 H new ATOM 0 HG2 LYS A 861 -23.203 0.969 48.823 1.00 23.38 H new ATOM 0 HG3 LYS A 861 -23.911 0.640 47.473 1.00 23.38 H new ATOM 0 HD2 LYS A 861 -22.416 -1.159 47.120 1.00 25.81 H new ATOM 0 HD3 LYS A 861 -21.689 -0.825 48.459 1.00 25.81 H new ATOM 0 HE2 LYS A 861 -23.630 -1.387 49.670 1.00 29.15 H new ATOM 0 HE3 LYS A 861 -24.389 -1.680 48.339 1.00 29.15 H new ATOM 0 HZ1 LYS A 861 -23.371 -3.546 49.467 1.00 31.27 H new ATOM 0 HZ2 LYS A 861 -23.232 -3.515 48.021 1.00 31.27 H new ATOM 0 HZ3 LYS A 861 -22.124 -3.104 48.866 1.00 31.27 H new ATOM 1596 N LEU A 862 -19.549 3.234 46.504 1.00 19.23 N ATOM 1597 CA LEU A 862 -18.510 3.631 45.554 1.00 19.27 C ATOM 1598 C LEU A 862 -17.138 3.472 46.206 1.00 20.06 C ATOM 1599 O LEU A 862 -16.226 2.897 45.609 1.00 19.67 O ATOM 1600 CB LEU A 862 -18.704 5.082 45.104 1.00 21.38 C ATOM 1601 CG LEU A 862 -17.733 5.569 44.021 1.00 22.10 C ATOM 1602 CD1 LEU A 862 -17.904 4.753 42.745 1.00 20.91 C ATOM 1603 CD2 LEU A 862 -17.989 7.043 43.748 1.00 23.18 C ATOM 0 H LEU A 862 -20.092 3.862 46.730 1.00 19.23 H new ATOM 0 HA LEU A 862 -18.571 3.060 44.772 1.00 19.27 H new ATOM 0 HB2 LEU A 862 -19.610 5.184 44.774 1.00 21.38 H new ATOM 0 HB3 LEU A 862 -18.617 5.659 45.879 1.00 21.38 H new ATOM 0 HG LEU A 862 -16.821 5.453 44.331 1.00 22.10 H new ATOM 0 HD11 LEU A 862 -17.284 5.073 42.071 1.00 20.91 H new ATOM 0 HD12 LEU A 862 -17.724 3.818 42.932 1.00 20.91 H new ATOM 0 HD13 LEU A 862 -18.813 4.848 42.419 1.00 20.91 H new ATOM 0 HD21 LEU A 862 -17.377 7.357 43.064 1.00 23.18 H new ATOM 0 HD22 LEU A 862 -18.902 7.162 43.444 1.00 23.18 H new ATOM 0 HD23 LEU A 862 -17.851 7.552 44.562 1.00 23.18 H new ATOM 1604 N LEU A 863 -16.999 3.983 47.429 1.00 19.20 N ATOM 1605 CA LEU A 863 -15.742 3.875 48.166 1.00 18.38 C ATOM 1606 C LEU A 863 -15.319 2.414 48.311 1.00 18.63 C ATOM 1607 O LEU A 863 -14.153 2.079 48.104 1.00 17.66 O ATOM 1608 CB LEU A 863 -15.879 4.521 49.546 1.00 18.21 C ATOM 1609 CG LEU A 863 -15.818 6.053 49.567 1.00 19.77 C ATOM 1610 CD1 LEU A 863 -16.242 6.573 50.932 1.00 19.88 C ATOM 1611 CD2 LEU A 863 -14.396 6.508 49.226 1.00 19.99 C ATOM 0 H LEU A 863 -17.624 4.397 47.850 1.00 19.20 H new ATOM 0 HA LEU A 863 -15.057 4.344 47.664 1.00 18.38 H new ATOM 0 HB2 LEU A 863 -16.723 4.241 49.934 1.00 18.21 H new ATOM 0 HB3 LEU A 863 -15.175 4.177 50.118 1.00 18.21 H new ATOM 0 HG LEU A 863 -16.429 6.414 48.905 1.00 19.77 H new ATOM 0 HD11 LEU A 863 -16.201 7.542 50.936 1.00 19.88 H new ATOM 0 HD12 LEU A 863 -17.150 6.288 51.119 1.00 19.88 H new ATOM 0 HD13 LEU A 863 -15.646 6.221 51.612 1.00 19.88 H new ATOM 0 HD21 LEU A 863 -14.354 7.477 49.238 1.00 19.99 H new ATOM 0 HD22 LEU A 863 -13.776 6.150 49.880 1.00 19.99 H new ATOM 0 HD23 LEU A 863 -14.156 6.186 48.343 1.00 19.99 H new ATOM 1612 N ASP A 864 -16.265 1.543 48.665 1.00 18.52 N ATOM 1613 CA ASP A 864 -15.961 0.121 48.811 1.00 19.22 C ATOM 1614 C ASP A 864 -15.464 -0.478 47.496 1.00 18.99 C ATOM 1615 O ASP A 864 -14.577 -1.336 47.498 1.00 20.25 O ATOM 1616 CB ASP A 864 -17.207 -0.670 49.241 1.00 17.83 C ATOM 1617 CG ASP A 864 -17.494 -0.579 50.731 1.00 21.67 C ATOM 1618 OD1 ASP A 864 -16.688 0.006 51.485 1.00 19.30 O ATOM 1619 OD2 ASP A 864 -18.545 -1.118 51.147 1.00 22.04 O ATOM 0 H ASP A 864 -17.083 1.754 48.824 1.00 18.52 H new ATOM 0 HA ASP A 864 -15.270 0.055 49.489 1.00 19.22 H new ATOM 0 HB2 ASP A 864 -17.976 -0.342 48.749 1.00 17.83 H new ATOM 0 HB3 ASP A 864 -17.091 -1.602 48.997 1.00 17.83 H new ATOM 1620 N SER A 865 -16.028 -0.022 46.377 1.00 18.02 N ATOM 1621 CA SER A 865 -15.665 -0.570 45.071 1.00 18.12 C ATOM 1622 C SER A 865 -14.211 -0.324 44.689 1.00 18.21 C ATOM 1623 O SER A 865 -13.670 -1.010 43.828 1.00 19.53 O ATOM 1624 CB SER A 865 -16.598 -0.035 43.970 1.00 17.97 C ATOM 1625 OG SER A 865 -16.278 1.282 43.569 1.00 19.45 O ATOM 0 H SER A 865 -16.620 0.601 46.353 1.00 18.02 H new ATOM 0 HA SER A 865 -15.774 -1.531 45.150 1.00 18.12 H new ATOM 0 HB2 SER A 865 -16.552 -0.623 43.200 1.00 17.97 H new ATOM 0 HB3 SER A 865 -17.514 -0.057 44.289 1.00 17.97 H new ATOM 0 HG SER A 865 -16.401 1.808 44.212 1.00 19.45 H new ATOM 1626 N VAL A 866 -13.583 0.652 45.331 1.00 17.73 N ATOM 1627 CA VAL A 866 -12.186 0.959 45.047 1.00 18.09 C ATOM 1628 C VAL A 866 -11.257 -0.135 45.574 1.00 18.26 C ATOM 1629 O VAL A 866 -10.257 -0.473 44.939 1.00 18.82 O ATOM 1630 CB VAL A 866 -11.775 2.305 45.690 1.00 18.17 C ATOM 1631 CG1 VAL A 866 -10.277 2.553 45.496 1.00 20.06 C ATOM 1632 CG2 VAL A 866 -12.587 3.432 45.088 1.00 20.29 C ATOM 0 H VAL A 866 -13.945 1.148 45.933 1.00 17.73 H new ATOM 0 HA VAL A 866 -12.100 1.016 44.082 1.00 18.09 H new ATOM 0 HB VAL A 866 -11.954 2.268 46.643 1.00 18.17 H new ATOM 0 HG11 VAL A 866 -10.033 3.399 45.903 1.00 20.06 H new ATOM 0 HG12 VAL A 866 -9.773 1.837 45.914 1.00 20.06 H new ATOM 0 HG13 VAL A 866 -10.073 2.581 44.548 1.00 20.06 H new ATOM 0 HG21 VAL A 866 -12.325 4.273 45.495 1.00 20.29 H new ATOM 0 HG22 VAL A 866 -12.427 3.472 44.132 1.00 20.29 H new ATOM 0 HG23 VAL A 866 -13.530 3.274 45.251 1.00 20.29 H new ATOM 1633 N GLN A 867 -11.603 -0.705 46.723 1.00 18.15 N ATOM 1634 CA GLN A 867 -10.753 -1.716 47.344 1.00 19.34 C ATOM 1635 C GLN A 867 -10.462 -2.982 46.524 1.00 19.57 C ATOM 1636 O GLN A 867 -9.310 -3.406 46.441 1.00 19.26 O ATOM 1637 CB GLN A 867 -11.307 -2.082 48.729 1.00 18.93 C ATOM 1638 CG GLN A 867 -11.402 -0.897 49.712 1.00 21.18 C ATOM 1639 CD GLN A 867 -10.076 -0.167 49.927 1.00 20.41 C ATOM 1640 OE1 GLN A 867 -9.001 -0.756 49.814 1.00 23.17 O ATOM 1641 NE2 GLN A 867 -10.155 1.114 50.262 1.00 24.04 N ATOM 0 H GLN A 867 -12.322 -0.522 47.158 1.00 18.15 H new ATOM 0 HA GLN A 867 -9.884 -1.290 47.410 1.00 19.34 H new ATOM 0 HB2 GLN A 867 -12.190 -2.469 48.620 1.00 18.93 H new ATOM 0 HB3 GLN A 867 -10.743 -2.768 49.120 1.00 18.93 H new ATOM 0 HG2 GLN A 867 -12.060 -0.265 49.381 1.00 21.18 H new ATOM 0 HG3 GLN A 867 -11.725 -1.222 50.567 1.00 21.18 H new ATOM 0 HE21 GLN A 867 -10.924 1.494 50.332 1.00 24.04 H new ATOM 0 HE22 GLN A 867 -9.438 1.565 50.409 1.00 24.04 H new ATOM 1642 N PRO A 868 -11.486 -3.611 45.917 1.00 19.60 N ATOM 1643 CA PRO A 868 -11.193 -4.819 45.133 1.00 20.15 C ATOM 1644 C PRO A 868 -10.265 -4.503 43.964 1.00 20.23 C ATOM 1645 O PRO A 868 -9.413 -5.315 43.589 1.00 18.99 O ATOM 1646 CB PRO A 868 -12.572 -5.274 44.662 1.00 22.45 C ATOM 1647 CG PRO A 868 -13.472 -4.798 45.757 1.00 22.34 C ATOM 1648 CD PRO A 868 -12.940 -3.409 46.036 1.00 20.17 C ATOM 0 HA PRO A 868 -10.730 -5.504 45.640 1.00 20.15 H new ATOM 0 HB2 PRO A 868 -12.808 -4.882 43.807 1.00 22.45 H new ATOM 0 HB3 PRO A 868 -12.615 -6.237 44.554 1.00 22.45 H new ATOM 0 HG2 PRO A 868 -14.401 -4.780 45.479 1.00 22.34 H new ATOM 0 HG3 PRO A 868 -13.421 -5.368 46.540 1.00 22.34 H new ATOM 0 HD2 PRO A 868 -13.270 -2.758 45.397 1.00 20.17 H new ATOM 0 HD3 PRO A 868 -13.192 -3.094 46.918 1.00 20.17 H new ATOM 1649 N ILE A 869 -10.436 -3.317 43.393 1.00 18.33 N ATOM 1650 CA ILE A 869 -9.606 -2.899 42.273 1.00 19.03 C ATOM 1651 C ILE A 869 -8.175 -2.718 42.767 1.00 18.10 C ATOM 1652 O ILE A 869 -7.229 -3.234 42.164 1.00 19.21 O ATOM 1653 CB ILE A 869 -10.127 -1.581 41.660 1.00 20.42 C ATOM 1654 CG1 ILE A 869 -11.523 -1.806 41.068 1.00 21.24 C ATOM 1655 CG2 ILE A 869 -9.179 -1.099 40.569 1.00 21.53 C ATOM 1656 CD1 ILE A 869 -12.161 -0.557 40.505 1.00 22.31 C ATOM 0 H ILE A 869 -11.026 -2.741 43.639 1.00 18.33 H new ATOM 0 HA ILE A 869 -9.637 -3.579 41.582 1.00 19.03 H new ATOM 0 HB ILE A 869 -10.175 -0.907 42.355 1.00 20.42 H new ATOM 0 HG12 ILE A 869 -11.463 -2.472 40.365 1.00 21.24 H new ATOM 0 HG13 ILE A 869 -12.101 -2.171 41.756 1.00 21.24 H new ATOM 0 HG21 ILE A 869 -9.515 -0.271 40.191 1.00 21.53 H new ATOM 0 HG22 ILE A 869 -8.299 -0.947 40.948 1.00 21.53 H new ATOM 0 HG23 ILE A 869 -9.118 -1.771 39.872 1.00 21.53 H new ATOM 0 HD11 ILE A 869 -13.037 -0.773 40.150 1.00 22.31 H new ATOM 0 HD12 ILE A 869 -12.252 0.105 41.208 1.00 22.31 H new ATOM 0 HD13 ILE A 869 -11.604 -0.200 39.796 1.00 22.31 H new ATOM 1657 N ALA A 870 -8.019 -2.004 43.878 1.00 18.28 N ATOM 1658 CA ALA A 870 -6.696 -1.777 44.445 1.00 17.55 C ATOM 1659 C ALA A 870 -6.022 -3.108 44.766 1.00 18.23 C ATOM 1660 O ALA A 870 -4.818 -3.250 44.575 1.00 19.15 O ATOM 1661 CB ALA A 870 -6.792 -0.920 45.707 1.00 18.84 C ATOM 0 H ALA A 870 -8.665 -1.644 44.317 1.00 18.28 H new ATOM 0 HA ALA A 870 -6.160 -1.304 43.790 1.00 17.55 H new ATOM 0 HB1 ALA A 870 -5.904 -0.779 46.071 1.00 18.84 H new ATOM 0 HB2 ALA A 870 -7.191 -0.064 45.487 1.00 18.84 H new ATOM 0 HB3 ALA A 870 -7.342 -1.373 46.365 1.00 18.84 H new ATOM 1662 N ARG A 871 -6.792 -4.085 45.243 1.00 17.85 N ATOM 1663 CA ARG A 871 -6.198 -5.379 45.578 1.00 19.24 C ATOM 1664 C ARG A 871 -5.660 -6.085 44.338 1.00 18.67 C ATOM 1665 O ARG A 871 -4.573 -6.663 44.375 1.00 18.33 O ATOM 1666 CB ARG A 871 -7.200 -6.293 46.290 1.00 22.21 C ATOM 1667 CG ARG A 871 -6.556 -7.605 46.734 1.00 26.49 C ATOM 1668 CD ARG A 871 -7.509 -8.513 47.488 1.00 31.29 C ATOM 1669 NE ARG A 871 -6.881 -9.800 47.788 1.00 35.57 N ATOM 1670 CZ ARG A 871 -5.919 -9.983 48.689 1.00 35.99 C ATOM 1671 NH1 ARG A 871 -5.462 -8.962 49.399 1.00 37.73 N ATOM 1672 NH2 ARG A 871 -5.403 -11.192 48.870 1.00 36.26 N ATOM 0 H ARG A 871 -7.639 -4.023 45.378 1.00 17.85 H new ATOM 0 HA ARG A 871 -5.460 -5.196 46.180 1.00 19.24 H new ATOM 0 HB2 ARG A 871 -7.564 -5.834 47.063 1.00 22.21 H new ATOM 0 HB3 ARG A 871 -7.943 -6.482 45.696 1.00 22.21 H new ATOM 0 HG2 ARG A 871 -6.221 -8.074 45.954 1.00 26.49 H new ATOM 0 HG3 ARG A 871 -5.791 -7.409 47.298 1.00 26.49 H new ATOM 0 HD2 ARG A 871 -7.785 -8.084 48.313 1.00 31.29 H new ATOM 0 HD3 ARG A 871 -8.310 -8.656 46.961 1.00 31.29 H new ATOM 0 HE ARG A 871 -7.153 -10.488 47.350 1.00 35.57 H new ATOM 0 HH11 ARG A 871 -5.787 -8.175 49.279 1.00 37.73 H new ATOM 0 HH12 ARG A 871 -4.840 -9.086 49.980 1.00 37.73 H new ATOM 0 HH21 ARG A 871 -5.690 -11.856 48.405 1.00 36.26 H new ATOM 0 HH22 ARG A 871 -4.781 -11.311 49.452 1.00 36.26 H new ATOM 1673 N GLU A 872 -6.421 -6.039 43.246 1.00 18.41 N ATOM 1674 CA GLU A 872 -5.992 -6.666 41.997 1.00 18.96 C ATOM 1675 C GLU A 872 -4.708 -6.016 41.507 1.00 19.18 C ATOM 1676 O GLU A 872 -3.812 -6.692 40.996 1.00 17.90 O ATOM 1677 CB GLU A 872 -7.061 -6.524 40.907 1.00 22.73 C ATOM 1678 CG GLU A 872 -8.240 -7.470 41.043 1.00 30.40 C ATOM 1679 CD GLU A 872 -9.116 -7.480 39.800 1.00 35.17 C ATOM 1680 OE1 GLU A 872 -8.599 -7.776 38.702 1.00 38.24 O ATOM 1681 OE2 GLU A 872 -10.322 -7.194 39.919 1.00 39.99 O ATOM 0 H GLU A 872 -7.187 -5.651 43.207 1.00 18.41 H new ATOM 0 HA GLU A 872 -5.847 -7.609 42.175 1.00 18.96 H new ATOM 0 HB2 GLU A 872 -7.392 -5.612 40.913 1.00 22.73 H new ATOM 0 HB3 GLU A 872 -6.645 -6.669 40.043 1.00 22.73 H new ATOM 0 HG2 GLU A 872 -7.914 -8.367 41.214 1.00 30.40 H new ATOM 0 HG3 GLU A 872 -8.774 -7.211 41.810 1.00 30.40 H new ATOM 1682 N LEU A 873 -4.616 -4.700 41.657 1.00 18.10 N ATOM 1683 CA LEU A 873 -3.421 -3.993 41.214 1.00 16.67 C ATOM 1684 C LEU A 873 -2.248 -4.287 42.142 1.00 17.12 C ATOM 1685 O LEU A 873 -1.106 -4.372 41.694 1.00 16.07 O ATOM 1686 CB LEU A 873 -3.697 -2.491 41.122 1.00 17.11 C ATOM 1687 CG LEU A 873 -4.693 -2.143 40.006 1.00 16.95 C ATOM 1688 CD1 LEU A 873 -5.075 -0.678 40.108 1.00 18.19 C ATOM 1689 CD2 LEU A 873 -4.096 -2.454 38.641 1.00 18.01 C ATOM 0 H LEU A 873 -5.225 -4.204 42.008 1.00 18.10 H new ATOM 0 HA LEU A 873 -3.181 -4.308 40.329 1.00 16.67 H new ATOM 0 HB2 LEU A 873 -4.045 -2.177 41.971 1.00 17.11 H new ATOM 0 HB3 LEU A 873 -2.863 -2.021 40.965 1.00 17.11 H new ATOM 0 HG LEU A 873 -5.491 -2.684 40.110 1.00 16.95 H new ATOM 0 HD11 LEU A 873 -5.704 -0.458 39.403 1.00 18.19 H new ATOM 0 HD12 LEU A 873 -5.485 -0.510 40.971 1.00 18.19 H new ATOM 0 HD13 LEU A 873 -4.281 -0.129 40.015 1.00 18.19 H new ATOM 0 HD21 LEU A 873 -4.737 -2.229 37.948 1.00 18.01 H new ATOM 0 HD22 LEU A 873 -3.288 -1.933 38.515 1.00 18.01 H new ATOM 0 HD23 LEU A 873 -3.883 -3.399 38.589 1.00 18.01 H new ATOM 1690 N HIS A 874 -2.532 -4.440 43.434 1.00 16.93 N ATOM 1691 CA HIS A 874 -1.492 -4.778 44.398 1.00 16.99 C ATOM 1692 C HIS A 874 -0.881 -6.113 43.977 1.00 17.81 C ATOM 1693 O HIS A 874 0.339 -6.270 43.963 1.00 16.91 O ATOM 1694 CB HIS A 874 -2.083 -4.919 45.802 1.00 16.66 C ATOM 1695 CG HIS A 874 -2.288 -3.616 46.506 1.00 19.79 C ATOM 1696 ND1 HIS A 874 -3.374 -3.373 47.319 1.00 20.73 N ATOM 1697 CD2 HIS A 874 -1.529 -2.496 46.540 1.00 20.05 C ATOM 1698 CE1 HIS A 874 -3.275 -2.154 47.823 1.00 21.85 C ATOM 1699 NE2 HIS A 874 -2.167 -1.602 47.366 1.00 20.15 N ATOM 0 H HIS A 874 -3.319 -4.352 43.770 1.00 16.93 H new ATOM 0 HA HIS A 874 -0.823 -4.076 44.416 1.00 16.99 H new ATOM 0 HB2 HIS A 874 -2.934 -5.381 45.740 1.00 16.66 H new ATOM 0 HB3 HIS A 874 -1.496 -5.476 46.336 1.00 16.66 H new ATOM 0 HD2 HIS A 874 -0.727 -2.358 46.090 1.00 20.05 H new ATOM 0 HE1 HIS A 874 -3.883 -1.754 48.401 1.00 21.85 H new ATOM 0 HE2 HIS A 874 -1.889 -0.810 47.555 1.00 20.15 H new ATOM 1700 N GLN A 875 -1.737 -7.072 43.631 1.00 16.30 N ATOM 1701 CA GLN A 875 -1.262 -8.389 43.214 1.00 17.07 C ATOM 1702 C GLN A 875 -0.447 -8.297 41.932 1.00 17.64 C ATOM 1703 O GLN A 875 0.622 -8.902 41.811 1.00 17.99 O ATOM 1704 CB GLN A 875 -2.439 -9.341 42.995 1.00 18.57 C ATOM 1705 CG GLN A 875 -2.006 -10.771 42.714 1.00 24.21 C ATOM 1706 CD GLN A 875 -1.267 -11.379 43.889 1.00 27.86 C ATOM 1707 OE1 GLN A 875 -1.830 -11.533 44.975 1.00 31.13 O ATOM 1708 NE2 GLN A 875 0.001 -11.721 43.683 1.00 26.87 N ATOM 0 H GLN A 875 -2.592 -6.981 43.631 1.00 16.30 H new ATOM 0 HA GLN A 875 -0.696 -8.733 43.923 1.00 17.07 H new ATOM 0 HB2 GLN A 875 -3.008 -9.330 43.781 1.00 18.57 H new ATOM 0 HB3 GLN A 875 -2.974 -9.019 42.253 1.00 18.57 H new ATOM 0 HG2 GLN A 875 -2.786 -11.310 42.509 1.00 24.21 H new ATOM 0 HG3 GLN A 875 -1.435 -10.788 41.930 1.00 24.21 H new ATOM 0 HE21 GLN A 875 0.360 -11.598 42.911 1.00 26.87 H new ATOM 0 HE22 GLN A 875 0.463 -12.065 44.322 1.00 26.87 H new ATOM 1709 N PHE A 876 -0.957 -7.533 40.974 1.00 16.35 N ATOM 1710 CA PHE A 876 -0.275 -7.374 39.699 1.00 17.01 C ATOM 1711 C PHE A 876 1.092 -6.717 39.828 1.00 16.12 C ATOM 1712 O PHE A 876 2.061 -7.185 39.229 1.00 17.13 O ATOM 1713 CB PHE A 876 -1.148 -6.564 38.738 1.00 17.35 C ATOM 1714 CG PHE A 876 -0.587 -6.460 37.346 1.00 18.88 C ATOM 1715 CD1 PHE A 876 0.244 -5.403 36.991 1.00 19.90 C ATOM 1716 CD2 PHE A 876 -0.899 -7.420 36.388 1.00 21.45 C ATOM 1717 CE1 PHE A 876 0.755 -5.302 35.697 1.00 21.40 C ATOM 1718 CE2 PHE A 876 -0.393 -7.329 35.091 1.00 22.60 C ATOM 1719 CZ PHE A 876 0.434 -6.265 34.747 1.00 20.40 C ATOM 0 H PHE A 876 -1.696 -7.099 41.043 1.00 16.35 H new ATOM 0 HA PHE A 876 -0.127 -8.267 39.350 1.00 17.01 H new ATOM 0 HB2 PHE A 876 -2.028 -6.971 38.693 1.00 17.35 H new ATOM 0 HB3 PHE A 876 -1.266 -5.671 39.097 1.00 17.35 H new ATOM 0 HD1 PHE A 876 0.461 -4.756 37.623 1.00 19.90 H new ATOM 0 HD2 PHE A 876 -1.452 -8.132 36.615 1.00 21.45 H new ATOM 0 HE1 PHE A 876 1.310 -4.591 35.470 1.00 21.40 H new ATOM 0 HE2 PHE A 876 -0.608 -7.977 34.459 1.00 22.60 H new ATOM 0 HZ PHE A 876 0.772 -6.198 33.883 1.00 20.40 H new ATOM 1720 N THR A 877 1.184 -5.640 40.602 1.00 14.80 N ATOM 1721 CA THR A 877 2.462 -4.950 40.736 1.00 15.47 C ATOM 1722 C THR A 877 3.456 -5.783 41.540 1.00 16.95 C ATOM 1723 O THR A 877 4.652 -5.769 41.259 1.00 15.39 O ATOM 1724 CB THR A 877 2.280 -3.525 41.349 1.00 17.07 C ATOM 1725 OG1 THR A 877 3.482 -2.767 41.152 1.00 17.67 O ATOM 1726 CG2 THR A 877 1.953 -3.589 42.834 1.00 16.53 C ATOM 0 H THR A 877 0.534 -5.299 41.049 1.00 14.80 H new ATOM 0 HA THR A 877 2.829 -4.835 39.846 1.00 15.47 H new ATOM 0 HB THR A 877 1.535 -3.096 40.900 1.00 17.07 H new ATOM 0 HG1 THR A 877 3.459 -2.395 40.399 1.00 17.67 H new ATOM 0 HG21 THR A 877 1.847 -2.690 43.181 1.00 16.53 H new ATOM 0 HG22 THR A 877 1.129 -4.084 42.963 1.00 16.53 H new ATOM 0 HG23 THR A 877 2.674 -4.034 43.306 1.00 16.53 H new ATOM 1727 N PHE A 878 2.958 -6.526 42.524 1.00 16.75 N ATOM 1728 CA PHE A 878 3.834 -7.377 43.319 1.00 17.69 C ATOM 1729 C PHE A 878 4.471 -8.414 42.392 1.00 17.74 C ATOM 1730 O PHE A 878 5.692 -8.586 42.388 1.00 16.94 O ATOM 1731 CB PHE A 878 3.044 -8.089 44.419 1.00 18.66 C ATOM 1732 CG PHE A 878 3.831 -9.162 45.130 1.00 18.16 C ATOM 1733 CD1 PHE A 878 4.784 -8.834 46.089 1.00 18.73 C ATOM 1734 CD2 PHE A 878 3.648 -10.499 44.798 1.00 18.18 C ATOM 1735 CE1 PHE A 878 5.547 -9.831 46.708 1.00 18.52 C ATOM 1736 CE2 PHE A 878 4.404 -11.500 45.408 1.00 20.40 C ATOM 1737 CZ PHE A 878 5.354 -11.163 46.361 1.00 18.36 C ATOM 0 H PHE A 878 2.127 -6.552 42.745 1.00 16.75 H new ATOM 0 HA PHE A 878 4.517 -6.832 43.740 1.00 17.69 H new ATOM 0 HB2 PHE A 878 2.746 -7.433 45.069 1.00 18.66 H new ATOM 0 HB3 PHE A 878 2.249 -8.486 44.030 1.00 18.66 H new ATOM 0 HD1 PHE A 878 4.915 -7.943 46.321 1.00 18.73 H new ATOM 0 HD2 PHE A 878 3.012 -10.730 44.160 1.00 18.18 H new ATOM 0 HE1 PHE A 878 6.181 -9.603 47.349 1.00 18.52 H new ATOM 0 HE2 PHE A 878 4.272 -12.391 45.176 1.00 20.40 H new ATOM 0 HZ PHE A 878 5.861 -11.828 46.768 1.00 18.36 H new ATOM 1738 N ASP A 879 3.638 -9.107 41.613 1.00 18.46 N ATOM 1739 CA ASP A 879 4.132 -10.117 40.682 1.00 19.80 C ATOM 1740 C ASP A 879 5.104 -9.511 39.678 1.00 19.42 C ATOM 1741 O ASP A 879 6.103 -10.135 39.321 1.00 18.65 O ATOM 1742 CB ASP A 879 2.983 -10.781 39.921 1.00 21.47 C ATOM 1743 CG ASP A 879 2.098 -11.633 40.813 1.00 25.89 C ATOM 1744 OD1 ASP A 879 2.575 -12.096 41.872 1.00 28.92 O ATOM 1745 OD2 ASP A 879 0.927 -11.854 40.442 1.00 27.84 O ATOM 0 H ASP A 879 2.784 -9.006 41.610 1.00 18.46 H new ATOM 0 HA ASP A 879 4.593 -10.786 41.212 1.00 19.80 H new ATOM 0 HB2 ASP A 879 2.443 -10.096 39.497 1.00 21.47 H new ATOM 0 HB3 ASP A 879 3.347 -11.334 39.212 1.00 21.47 H new ATOM 1746 N LEU A 880 4.810 -8.294 39.223 1.00 17.17 N ATOM 1747 CA LEU A 880 5.672 -7.624 38.257 1.00 18.55 C ATOM 1748 C LEU A 880 7.027 -7.278 38.876 1.00 18.27 C ATOM 1749 O LEU A 880 8.068 -7.437 38.238 1.00 20.53 O ATOM 1750 CB LEU A 880 4.987 -6.352 37.728 1.00 18.92 C ATOM 1751 CG LEU A 880 5.728 -5.571 36.634 1.00 18.82 C ATOM 1752 CD1 LEU A 880 6.065 -6.492 35.467 1.00 20.60 C ATOM 1753 CD2 LEU A 880 4.861 -4.399 36.168 1.00 19.78 C ATOM 0 H LEU A 880 4.118 -7.842 39.461 1.00 17.17 H new ATOM 0 HA LEU A 880 5.826 -8.231 37.516 1.00 18.55 H new ATOM 0 HB2 LEU A 880 4.114 -6.599 37.384 1.00 18.92 H new ATOM 0 HB3 LEU A 880 4.838 -5.755 38.478 1.00 18.92 H new ATOM 0 HG LEU A 880 6.559 -5.222 36.993 1.00 18.82 H new ATOM 0 HD11 LEU A 880 6.533 -5.989 34.782 1.00 20.60 H new ATOM 0 HD12 LEU A 880 6.630 -7.216 35.779 1.00 20.60 H new ATOM 0 HD13 LEU A 880 5.247 -6.858 35.097 1.00 20.60 H new ATOM 0 HD21 LEU A 880 5.329 -3.905 35.477 1.00 19.78 H new ATOM 0 HD22 LEU A 880 4.024 -4.737 35.813 1.00 19.78 H new ATOM 0 HD23 LEU A 880 4.680 -3.812 36.918 1.00 19.78 H new ATOM 1754 N LEU A 881 7.025 -6.818 40.124 1.00 17.57 N ATOM 1755 CA LEU A 881 8.277 -6.474 40.788 1.00 16.60 C ATOM 1756 C LEU A 881 9.169 -7.706 40.895 1.00 17.48 C ATOM 1757 O LEU A 881 10.368 -7.643 40.634 1.00 18.93 O ATOM 1758 CB LEU A 881 8.021 -5.925 42.195 1.00 18.94 C ATOM 1759 CG LEU A 881 9.286 -5.592 43.000 1.00 19.56 C ATOM 1760 CD1 LEU A 881 10.054 -4.487 42.303 1.00 23.34 C ATOM 1761 CD2 LEU A 881 8.920 -5.174 44.417 1.00 22.14 C ATOM 0 H LEU A 881 6.318 -6.699 40.599 1.00 17.57 H new ATOM 0 HA LEU A 881 8.716 -5.791 40.257 1.00 16.60 H new ATOM 0 HB2 LEU A 881 7.480 -5.123 42.122 1.00 18.94 H new ATOM 0 HB3 LEU A 881 7.499 -6.575 42.691 1.00 18.94 H new ATOM 0 HG LEU A 881 9.846 -6.382 43.053 1.00 19.56 H new ATOM 0 HD11 LEU A 881 10.853 -4.277 42.812 1.00 23.34 H new ATOM 0 HD12 LEU A 881 10.306 -4.779 41.413 1.00 23.34 H new ATOM 0 HD13 LEU A 881 9.496 -3.696 42.237 1.00 23.34 H new ATOM 0 HD21 LEU A 881 9.728 -4.967 44.912 1.00 22.14 H new ATOM 0 HD22 LEU A 881 8.350 -4.390 44.386 1.00 22.14 H new ATOM 0 HD23 LEU A 881 8.448 -5.899 44.857 1.00 22.14 H new ATOM 1762 N ILE A 882 8.575 -8.827 41.289 1.00 17.60 N ATOM 1763 CA ILE A 882 9.329 -10.067 41.444 1.00 20.40 C ATOM 1764 C ILE A 882 9.998 -10.522 40.146 1.00 22.91 C ATOM 1765 O ILE A 882 11.094 -11.082 40.176 1.00 24.55 O ATOM 1766 CB ILE A 882 8.421 -11.193 41.991 1.00 21.06 C ATOM 1767 CG1 ILE A 882 7.954 -10.832 43.405 1.00 20.80 C ATOM 1768 CG2 ILE A 882 9.167 -12.529 41.993 1.00 21.18 C ATOM 1769 CD1 ILE A 882 9.084 -10.627 44.413 1.00 20.49 C ATOM 0 H ILE A 882 7.737 -8.892 41.472 1.00 17.60 H new ATOM 0 HA ILE A 882 10.036 -9.880 42.082 1.00 20.40 H new ATOM 0 HB ILE A 882 7.645 -11.284 41.416 1.00 21.06 H new ATOM 0 HG12 ILE A 882 7.424 -10.021 43.361 1.00 20.80 H new ATOM 0 HG13 ILE A 882 7.370 -11.535 43.730 1.00 20.80 H new ATOM 0 HG21 ILE A 882 8.585 -13.224 42.338 1.00 21.18 H new ATOM 0 HG22 ILE A 882 9.434 -12.752 41.088 1.00 21.18 H new ATOM 0 HG23 ILE A 882 9.955 -12.459 42.554 1.00 21.18 H new ATOM 0 HD11 ILE A 882 8.709 -10.403 45.279 1.00 20.49 H new ATOM 0 HD12 ILE A 882 9.603 -11.443 44.488 1.00 20.49 H new ATOM 0 HD13 ILE A 882 9.658 -9.905 44.113 1.00 20.49 H new ATOM 1770 N LYS A 883 9.358 -10.273 39.008 1.00 23.26 N ATOM 1771 CA LYS A 883 9.933 -10.678 37.725 1.00 26.45 C ATOM 1772 C LYS A 883 10.348 -9.492 36.857 1.00 26.61 C ATOM 1773 O LYS A 883 10.572 -9.650 35.658 1.00 26.00 O ATOM 1774 CB LYS A 883 8.931 -11.532 36.948 1.00 28.05 C ATOM 1775 CG LYS A 883 7.722 -10.760 36.457 1.00 30.80 C ATOM 1776 CD LYS A 883 6.691 -11.679 35.818 1.00 33.54 C ATOM 1777 CE LYS A 883 5.496 -10.887 35.307 1.00 35.64 C ATOM 1778 NZ LYS A 883 4.392 -11.782 34.856 1.00 36.44 N ATOM 0 H LYS A 883 8.598 -9.875 38.954 1.00 23.26 H new ATOM 0 HA LYS A 883 10.733 -11.187 37.931 1.00 26.45 H new ATOM 0 HB2 LYS A 883 9.381 -11.931 36.187 1.00 28.05 H new ATOM 0 HB3 LYS A 883 8.631 -12.260 37.514 1.00 28.05 H new ATOM 0 HG2 LYS A 883 7.317 -10.285 37.200 1.00 30.80 H new ATOM 0 HG3 LYS A 883 8.004 -10.092 35.813 1.00 30.80 H new ATOM 0 HD2 LYS A 883 7.098 -12.166 35.085 1.00 33.54 H new ATOM 0 HD3 LYS A 883 6.394 -12.337 36.466 1.00 33.54 H new ATOM 0 HE2 LYS A 883 5.172 -10.301 36.009 1.00 35.64 H new ATOM 0 HE3 LYS A 883 5.774 -10.320 34.571 1.00 35.64 H new ATOM 0 HZ1 LYS A 883 3.711 -11.289 34.564 1.00 36.44 H new ATOM 0 HZ2 LYS A 883 4.684 -12.305 34.197 1.00 36.44 H new ATOM 0 HZ3 LYS A 883 4.122 -12.287 35.537 1.00 36.44 H new ATOM 1779 N SER A 884 10.468 -8.316 37.466 1.00 26.67 N ATOM 1780 CA SER A 884 10.818 -7.105 36.728 1.00 28.36 C ATOM 1781 C SER A 884 12.105 -7.210 35.919 1.00 30.10 C ATOM 1782 O SER A 884 12.173 -6.726 34.791 1.00 28.72 O ATOM 1783 CB SER A 884 10.911 -5.907 37.678 1.00 28.65 C ATOM 1784 OG SER A 884 11.951 -6.076 38.624 1.00 32.71 O ATOM 0 H SER A 884 10.350 -8.197 38.310 1.00 26.67 H new ATOM 0 HA SER A 884 10.101 -6.980 36.087 1.00 28.36 H new ATOM 0 HB2 SER A 884 11.066 -5.098 37.166 1.00 28.65 H new ATOM 0 HB3 SER A 884 10.066 -5.793 38.141 1.00 28.65 H new ATOM 0 HG SER A 884 11.664 -6.513 39.281 1.00 32.71 H new ATOM 1785 N HIS A 885 13.119 -7.851 36.490 1.00 33.34 N ATOM 1786 CA HIS A 885 14.402 -7.991 35.813 1.00 36.82 C ATOM 1787 C HIS A 885 14.354 -8.758 34.493 1.00 37.48 C ATOM 1788 O HIS A 885 15.181 -8.524 33.612 1.00 39.43 O ATOM 1789 CB HIS A 885 15.424 -8.643 36.751 1.00 39.16 C ATOM 1790 CG HIS A 885 14.985 -9.962 37.306 1.00 41.49 C ATOM 1791 ND1 HIS A 885 13.870 -10.103 38.104 1.00 42.05 N ATOM 1792 CD2 HIS A 885 15.524 -11.200 37.190 1.00 42.26 C ATOM 1793 CE1 HIS A 885 13.741 -11.370 38.458 1.00 43.70 C ATOM 1794 NE2 HIS A 885 14.732 -12.055 37.916 1.00 43.10 N ATOM 0 H HIS A 885 13.084 -8.212 37.270 1.00 33.34 H new ATOM 0 HA HIS A 885 14.668 -7.087 35.582 1.00 36.82 H new ATOM 0 HB2 HIS A 885 16.258 -8.766 36.271 1.00 39.16 H new ATOM 0 HB3 HIS A 885 15.607 -8.038 37.486 1.00 39.16 H new ATOM 0 HD2 HIS A 885 16.287 -11.428 36.709 1.00 42.26 H new ATOM 0 HE1 HIS A 885 13.068 -11.719 38.996 1.00 43.70 H new ATOM 0 HE2 HIS A 885 14.860 -12.901 38.004 1.00 43.10 H new ATOM 1795 N MET A 886 13.395 -9.665 34.342 1.00 37.59 N ATOM 1796 CA MET A 886 13.305 -10.435 33.106 1.00 39.08 C ATOM 1797 C MET A 886 12.292 -9.909 32.091 1.00 37.32 C ATOM 1798 O MET A 886 12.195 -10.432 30.981 1.00 37.22 O ATOM 1799 CB MET A 886 13.021 -11.906 33.416 1.00 43.33 C ATOM 1800 CG MET A 886 11.856 -12.154 34.349 1.00 47.28 C ATOM 1801 SD MET A 886 11.673 -13.918 34.692 1.00 55.02 S ATOM 1802 CE MET A 886 13.109 -14.205 35.734 1.00 53.12 C ATOM 0 H MET A 886 12.796 -9.848 34.931 1.00 37.59 H new ATOM 0 HA MET A 886 14.172 -10.337 32.682 1.00 39.08 H new ATOM 0 HB2 MET A 886 12.853 -12.371 32.581 1.00 43.33 H new ATOM 0 HB3 MET A 886 13.818 -12.300 33.805 1.00 43.33 H new ATOM 0 HG2 MET A 886 11.993 -11.671 35.179 1.00 47.28 H new ATOM 0 HG3 MET A 886 11.040 -11.811 33.952 1.00 47.28 H new ATOM 0 HE1 MET A 886 13.660 -14.901 35.342 1.00 53.12 H new ATOM 0 HE2 MET A 886 13.625 -13.387 35.806 1.00 53.12 H new ATOM 0 HE3 MET A 886 12.818 -14.482 36.617 1.00 53.12 H new ATOM 1803 N VAL A 887 11.537 -8.880 32.466 1.00 34.76 N ATOM 1804 CA VAL A 887 10.561 -8.296 31.550 1.00 32.25 C ATOM 1805 C VAL A 887 10.937 -6.853 31.221 1.00 31.34 C ATOM 1806 O VAL A 887 10.189 -6.141 30.556 1.00 30.88 O ATOM 1807 CB VAL A 887 9.130 -8.335 32.136 1.00 32.15 C ATOM 1808 CG1 VAL A 887 8.662 -9.777 32.255 1.00 32.14 C ATOM 1809 CG2 VAL A 887 9.098 -7.647 33.489 1.00 30.50 C ATOM 0 H VAL A 887 11.573 -8.507 33.240 1.00 34.76 H new ATOM 0 HA VAL A 887 10.572 -8.829 30.740 1.00 32.25 H new ATOM 0 HB VAL A 887 8.529 -7.861 31.540 1.00 32.15 H new ATOM 0 HG11 VAL A 887 7.765 -9.797 32.623 1.00 32.14 H new ATOM 0 HG12 VAL A 887 8.661 -10.190 31.378 1.00 32.14 H new ATOM 0 HG13 VAL A 887 9.262 -10.265 32.841 1.00 32.14 H new ATOM 0 HG21 VAL A 887 8.197 -7.677 33.847 1.00 30.50 H new ATOM 0 HG22 VAL A 887 9.702 -8.101 34.097 1.00 30.50 H new ATOM 0 HG23 VAL A 887 9.375 -6.723 33.389 1.00 30.50 H new ATOM 1810 N SER A 888 12.108 -6.436 31.695 1.00 30.55 N ATOM 1811 CA SER A 888 12.626 -5.092 31.454 1.00 29.02 C ATOM 1812 C SER A 888 11.744 -3.952 31.963 1.00 27.74 C ATOM 1813 O SER A 888 11.623 -2.914 31.307 1.00 26.69 O ATOM 1814 CB SER A 888 12.892 -4.900 29.957 1.00 31.22 C ATOM 1815 OG SER A 888 13.850 -5.837 29.491 1.00 36.04 O ATOM 0 H SER A 888 12.629 -6.929 32.170 1.00 30.55 H new ATOM 0 HA SER A 888 13.445 -5.039 31.971 1.00 29.02 H new ATOM 0 HB2 SER A 888 12.065 -5.003 29.461 1.00 31.22 H new ATOM 0 HB3 SER A 888 13.210 -3.998 29.794 1.00 31.22 H new ATOM 0 HG SER A 888 13.982 -5.718 28.670 1.00 36.04 H new ATOM 1816 N VAL A 889 11.132 -4.139 33.127 1.00 25.45 N ATOM 1817 CA VAL A 889 10.294 -3.094 33.708 1.00 24.21 C ATOM 1818 C VAL A 889 11.051 -2.464 34.869 1.00 25.19 C ATOM 1819 O VAL A 889 11.476 -3.160 35.791 1.00 27.35 O ATOM 1820 CB VAL A 889 8.955 -3.658 34.219 1.00 23.35 C ATOM 1821 CG1 VAL A 889 8.208 -2.584 35.006 1.00 20.91 C ATOM 1822 CG2 VAL A 889 8.113 -4.133 33.041 1.00 22.71 C ATOM 0 H VAL A 889 11.188 -4.859 33.595 1.00 25.45 H new ATOM 0 HA VAL A 889 10.095 -2.437 33.023 1.00 24.21 H new ATOM 0 HB VAL A 889 9.126 -4.412 34.805 1.00 23.35 H new ATOM 0 HG11 VAL A 889 7.366 -2.944 35.326 1.00 20.91 H new ATOM 0 HG12 VAL A 889 8.747 -2.303 35.762 1.00 20.91 H new ATOM 0 HG13 VAL A 889 8.036 -1.822 34.431 1.00 20.91 H new ATOM 0 HG21 VAL A 889 7.271 -4.487 33.367 1.00 22.71 H new ATOM 0 HG22 VAL A 889 7.941 -3.388 32.445 1.00 22.71 H new ATOM 0 HG23 VAL A 889 8.591 -4.827 32.560 1.00 22.71 H new ATOM 1823 N ASP A 890 11.228 -1.150 34.821 1.00 24.12 N ATOM 1824 CA ASP A 890 11.957 -0.461 35.878 1.00 25.98 C ATOM 1825 C ASP A 890 11.072 0.040 37.011 1.00 25.82 C ATOM 1826 O ASP A 890 10.016 0.628 36.773 1.00 24.06 O ATOM 1827 CB ASP A 890 12.742 0.722 35.303 1.00 29.78 C ATOM 1828 CG ASP A 890 13.832 0.289 34.341 1.00 33.87 C ATOM 1829 OD1 ASP A 890 14.554 -0.681 34.657 1.00 36.05 O ATOM 1830 OD2 ASP A 890 13.971 0.922 33.272 1.00 35.69 O ATOM 0 H ASP A 890 10.937 -0.642 34.191 1.00 24.12 H new ATOM 0 HA ASP A 890 12.557 -1.124 36.254 1.00 25.98 H new ATOM 0 HB2 ASP A 890 12.130 1.319 34.845 1.00 29.78 H new ATOM 0 HB3 ASP A 890 13.139 1.226 36.030 1.00 29.78 H new ATOM 1831 N PHE A 891 11.509 -0.208 38.243 1.00 23.83 N ATOM 1832 CA PHE A 891 10.785 0.255 39.420 1.00 22.19 C ATOM 1833 C PHE A 891 11.615 1.289 40.169 1.00 22.68 C ATOM 1834 O PHE A 891 12.749 1.009 40.572 1.00 23.72 O ATOM 1835 CB PHE A 891 10.480 -0.890 40.392 1.00 20.03 C ATOM 1836 CG PHE A 891 9.280 -1.706 40.022 1.00 18.27 C ATOM 1837 CD1 PHE A 891 9.365 -2.698 39.050 1.00 17.63 C ATOM 1838 CD2 PHE A 891 8.060 -1.494 40.659 1.00 18.10 C ATOM 1839 CE1 PHE A 891 8.254 -3.465 38.722 1.00 18.52 C ATOM 1840 CE2 PHE A 891 6.939 -2.263 40.333 1.00 16.89 C ATOM 1841 CZ PHE A 891 7.038 -3.249 39.364 1.00 17.74 C ATOM 0 H PHE A 891 12.228 -0.646 38.418 1.00 23.83 H new ATOM 0 HA PHE A 891 9.951 0.637 39.105 1.00 22.19 H new ATOM 0 HB2 PHE A 891 11.253 -1.474 40.441 1.00 20.03 H new ATOM 0 HB3 PHE A 891 10.347 -0.521 41.279 1.00 20.03 H new ATOM 0 HD1 PHE A 891 10.173 -2.849 38.616 1.00 17.63 H new ATOM 0 HD2 PHE A 891 7.990 -0.833 41.309 1.00 18.10 H new ATOM 0 HE1 PHE A 891 8.323 -4.125 38.071 1.00 18.52 H new ATOM 0 HE2 PHE A 891 6.129 -2.113 40.765 1.00 16.89 H new ATOM 0 HZ PHE A 891 6.295 -3.764 39.144 1.00 17.74 H new ATOM 1842 N PRO A 892 11.072 2.502 40.351 1.00 22.69 N ATOM 1843 CA PRO A 892 11.811 3.538 41.076 1.00 22.87 C ATOM 1844 C PRO A 892 11.998 3.090 42.523 1.00 23.33 C ATOM 1845 O PRO A 892 11.299 2.190 43.000 1.00 22.81 O ATOM 1846 CB PRO A 892 10.897 4.754 40.959 1.00 22.32 C ATOM 1847 CG PRO A 892 10.242 4.546 39.635 1.00 24.07 C ATOM 1848 CD PRO A 892 9.883 3.076 39.695 1.00 21.88 C ATOM 0 HA PRO A 892 12.700 3.723 40.735 1.00 22.87 H new ATOM 0 HB2 PRO A 892 10.249 4.788 41.680 1.00 22.32 H new ATOM 0 HB3 PRO A 892 11.397 5.585 40.987 1.00 22.32 H new ATOM 0 HG2 PRO A 892 9.459 5.108 39.524 1.00 24.07 H new ATOM 0 HG3 PRO A 892 10.840 4.745 38.898 1.00 24.07 H new ATOM 0 HD2 PRO A 892 9.074 2.920 40.207 1.00 21.88 H new ATOM 0 HD3 PRO A 892 9.737 2.701 38.812 1.00 21.88 H new ATOM 1849 N GLU A 893 12.923 3.734 43.223 1.00 24.75 N ATOM 1850 CA GLU A 893 13.240 3.391 44.605 1.00 26.66 C ATOM 1851 C GLU A 893 12.086 3.268 45.598 1.00 25.00 C ATOM 1852 O GLU A 893 11.899 2.206 46.190 1.00 24.35 O ATOM 1853 CB GLU A 893 14.265 4.381 45.160 1.00 31.35 C ATOM 1854 CG GLU A 893 14.866 3.951 46.485 1.00 36.07 C ATOM 1855 CD GLU A 893 15.817 4.985 47.051 1.00 39.72 C ATOM 1856 OE1 GLU A 893 16.743 5.402 46.323 1.00 43.00 O ATOM 1857 OE2 GLU A 893 15.644 5.376 48.225 1.00 43.35 O ATOM 0 H GLU A 893 13.388 4.386 42.909 1.00 24.75 H new ATOM 0 HA GLU A 893 13.581 2.486 44.531 1.00 26.66 H new ATOM 0 HB2 GLU A 893 14.977 4.495 44.512 1.00 31.35 H new ATOM 0 HB3 GLU A 893 13.841 5.246 45.271 1.00 31.35 H new ATOM 0 HG2 GLU A 893 14.153 3.788 47.122 1.00 36.07 H new ATOM 0 HG3 GLU A 893 15.338 3.112 46.366 1.00 36.07 H new ATOM 1858 N MET A 894 11.327 4.344 45.798 1.00 24.57 N ATOM 1859 CA MET A 894 10.220 4.306 46.754 1.00 23.66 C ATOM 1860 C MET A 894 9.180 3.250 46.406 1.00 22.78 C ATOM 1861 O MET A 894 8.678 2.556 47.287 1.00 21.34 O ATOM 1862 CB MET A 894 9.533 5.671 46.863 1.00 25.50 C ATOM 1863 CG MET A 894 10.394 6.765 47.467 1.00 29.20 C ATOM 1864 SD MET A 894 9.405 8.219 47.868 1.00 32.36 S ATOM 1865 CE MET A 894 8.999 8.803 46.218 1.00 31.43 C ATOM 0 H MET A 894 11.433 5.097 45.396 1.00 24.57 H new ATOM 0 HA MET A 894 10.615 4.071 47.608 1.00 23.66 H new ATOM 0 HB2 MET A 894 9.251 5.949 45.978 1.00 25.50 H new ATOM 0 HB3 MET A 894 8.730 5.574 47.399 1.00 25.50 H new ATOM 0 HG2 MET A 894 10.828 6.434 48.269 1.00 29.20 H new ATOM 0 HG3 MET A 894 11.096 7.009 46.844 1.00 29.20 H new ATOM 0 HE1 MET A 894 8.622 9.695 46.274 1.00 31.43 H new ATOM 0 HE2 MET A 894 9.803 8.826 45.676 1.00 31.43 H new ATOM 0 HE3 MET A 894 8.353 8.204 45.812 1.00 31.43 H new ATOM 1866 N MET A 895 8.850 3.131 45.124 1.00 21.81 N ATOM 1867 CA MET A 895 7.869 2.143 44.702 1.00 21.22 C ATOM 1868 C MET A 895 8.357 0.730 45.036 1.00 21.47 C ATOM 1869 O MET A 895 7.616 -0.072 45.600 1.00 21.61 O ATOM 1870 CB MET A 895 7.592 2.266 43.197 1.00 22.20 C ATOM 1871 CG MET A 895 6.804 3.516 42.786 1.00 21.72 C ATOM 1872 SD MET A 895 5.031 3.452 43.212 1.00 25.61 S ATOM 1873 CE MET A 895 4.426 2.362 41.936 1.00 25.65 C ATOM 0 H MET A 895 9.180 3.609 44.489 1.00 21.81 H new ATOM 0 HA MET A 895 7.043 2.309 45.182 1.00 21.22 H new ATOM 0 HB2 MET A 895 8.439 2.263 42.724 1.00 22.20 H new ATOM 0 HB3 MET A 895 7.102 1.481 42.906 1.00 22.20 H new ATOM 0 HG2 MET A 895 7.201 4.292 43.212 1.00 21.72 H new ATOM 0 HG3 MET A 895 6.892 3.642 41.828 1.00 21.72 H new ATOM 0 HE1 MET A 895 3.465 2.261 42.025 1.00 25.65 H new ATOM 0 HE2 MET A 895 4.632 2.737 41.065 1.00 25.65 H new ATOM 0 HE3 MET A 895 4.851 1.494 42.023 1.00 25.65 H new ATOM 1874 N ALA A 896 9.612 0.432 44.710 1.00 20.35 N ATOM 1875 CA ALA A 896 10.168 -0.893 44.972 1.00 20.39 C ATOM 1876 C ALA A 896 10.168 -1.242 46.461 1.00 21.79 C ATOM 1877 O ALA A 896 9.902 -2.385 46.842 1.00 21.00 O ATOM 1878 CB ALA A 896 11.587 -0.984 44.416 1.00 20.50 C ATOM 0 H ALA A 896 10.158 0.982 44.337 1.00 20.35 H new ATOM 0 HA ALA A 896 9.597 -1.537 44.525 1.00 20.39 H new ATOM 0 HB1 ALA A 896 11.949 -1.866 44.594 1.00 20.50 H new ATOM 0 HB2 ALA A 896 11.570 -0.829 43.459 1.00 20.50 H new ATOM 0 HB3 ALA A 896 12.145 -0.314 44.842 1.00 20.50 H new ATOM 1879 N GLU A 897 10.470 -0.256 47.298 1.00 21.29 N ATOM 1880 CA GLU A 897 10.501 -0.470 48.738 1.00 22.03 C ATOM 1881 C GLU A 897 9.100 -0.745 49.275 1.00 21.25 C ATOM 1882 O GLU A 897 8.894 -1.669 50.054 1.00 21.62 O ATOM 1883 CB GLU A 897 11.086 0.757 49.438 1.00 24.62 C ATOM 1884 CG GLU A 897 11.318 0.572 50.926 1.00 31.89 C ATOM 1885 CD GLU A 897 11.750 1.855 51.609 1.00 36.69 C ATOM 1886 OE1 GLU A 897 12.757 2.453 51.171 1.00 39.51 O ATOM 1887 OE2 GLU A 897 11.081 2.262 52.583 1.00 40.13 O ATOM 0 H GLU A 897 10.660 0.546 47.051 1.00 21.29 H new ATOM 0 HA GLU A 897 11.060 -1.242 48.918 1.00 22.03 H new ATOM 0 HB2 GLU A 897 11.928 0.987 49.016 1.00 24.62 H new ATOM 0 HB3 GLU A 897 10.488 1.509 49.305 1.00 24.62 H new ATOM 0 HG2 GLU A 897 10.503 0.247 51.340 1.00 31.89 H new ATOM 0 HG3 GLU A 897 11.996 -0.108 51.063 1.00 31.89 H new ATOM 1888 N ILE A 898 8.136 0.064 48.854 1.00 19.49 N ATOM 1889 CA ILE A 898 6.762 -0.098 49.312 1.00 19.09 C ATOM 1890 C ILE A 898 6.117 -1.391 48.826 1.00 17.98 C ATOM 1891 O ILE A 898 5.397 -2.060 49.571 1.00 17.90 O ATOM 1892 CB ILE A 898 5.882 1.079 48.846 1.00 20.82 C ATOM 1893 CG1 ILE A 898 6.308 2.361 49.561 1.00 23.34 C ATOM 1894 CG2 ILE A 898 4.416 0.771 49.108 1.00 23.24 C ATOM 1895 CD1 ILE A 898 5.574 3.601 49.063 1.00 24.98 C ATOM 0 H ILE A 898 8.256 0.713 48.303 1.00 19.49 H new ATOM 0 HA ILE A 898 6.815 -0.125 50.280 1.00 19.09 H new ATOM 0 HB ILE A 898 5.998 1.208 47.892 1.00 20.82 H new ATOM 0 HG12 ILE A 898 6.151 2.260 50.513 1.00 23.34 H new ATOM 0 HG13 ILE A 898 7.262 2.488 49.443 1.00 23.34 H new ATOM 0 HG21 ILE A 898 3.871 1.516 48.812 1.00 23.24 H new ATOM 0 HG22 ILE A 898 4.161 -0.029 48.622 1.00 23.24 H new ATOM 0 HG23 ILE A 898 4.280 0.629 50.058 1.00 23.24 H new ATOM 0 HD11 ILE A 898 5.885 4.379 49.551 1.00 24.98 H new ATOM 0 HD12 ILE A 898 5.749 3.723 48.117 1.00 24.98 H new ATOM 0 HD13 ILE A 898 4.621 3.491 49.204 1.00 24.98 H new ATOM 1896 N ILE A 899 6.380 -1.746 47.575 1.00 16.19 N ATOM 1897 CA ILE A 899 5.794 -2.942 46.994 1.00 16.41 C ATOM 1898 C ILE A 899 6.409 -4.231 47.536 1.00 16.74 C ATOM 1899 O ILE A 899 5.775 -5.281 47.510 1.00 17.45 O ATOM 1900 CB ILE A 899 5.897 -2.888 45.446 1.00 16.78 C ATOM 1901 CG1 ILE A 899 5.121 -1.666 44.941 1.00 18.42 C ATOM 1902 CG2 ILE A 899 5.328 -4.163 44.829 1.00 17.44 C ATOM 1903 CD1 ILE A 899 5.282 -1.368 43.459 1.00 18.24 C ATOM 0 H ILE A 899 6.896 -1.306 47.046 1.00 16.19 H new ATOM 0 HA ILE A 899 4.860 -2.957 47.254 1.00 16.41 H new ATOM 0 HB ILE A 899 6.829 -2.816 45.186 1.00 16.78 H new ATOM 0 HG12 ILE A 899 4.179 -1.798 45.130 1.00 18.42 H new ATOM 0 HG13 ILE A 899 5.405 -0.888 45.446 1.00 18.42 H new ATOM 0 HG21 ILE A 899 5.399 -4.115 43.863 1.00 17.44 H new ATOM 0 HG22 ILE A 899 5.827 -4.930 45.152 1.00 17.44 H new ATOM 0 HG23 ILE A 899 4.396 -4.256 45.080 1.00 17.44 H new ATOM 0 HD11 ILE A 899 4.760 -0.584 43.228 1.00 18.24 H new ATOM 0 HD12 ILE A 899 6.217 -1.203 43.262 1.00 18.24 H new ATOM 0 HD13 ILE A 899 4.972 -2.127 42.941 1.00 18.24 H new ATOM 1904 N SER A 900 7.634 -4.152 48.045 1.00 17.96 N ATOM 1905 CA SER A 900 8.281 -5.341 48.584 1.00 19.98 C ATOM 1906 C SER A 900 8.114 -5.455 50.099 1.00 20.46 C ATOM 1907 O SER A 900 8.278 -6.536 50.666 1.00 19.47 O ATOM 1908 CB SER A 900 9.775 -5.342 48.232 1.00 20.63 C ATOM 1909 OG SER A 900 10.459 -4.277 48.872 1.00 20.82 O ATOM 0 H SER A 900 8.101 -3.431 48.087 1.00 17.96 H new ATOM 0 HA SER A 900 7.846 -6.108 48.178 1.00 19.98 H new ATOM 0 HB2 SER A 900 10.171 -6.187 48.496 1.00 20.63 H new ATOM 0 HB3 SER A 900 9.883 -5.266 47.271 1.00 20.63 H new ATOM 0 HG SER A 900 10.407 -3.585 48.398 1.00 20.82 H new ATOM 1910 N VAL A 901 7.780 -4.350 50.759 1.00 21.05 N ATOM 1911 CA VAL A 901 7.627 -4.375 52.210 1.00 22.83 C ATOM 1912 C VAL A 901 6.197 -4.207 52.707 1.00 23.54 C ATOM 1913 O VAL A 901 5.743 -4.970 53.560 1.00 26.56 O ATOM 1914 CB VAL A 901 8.516 -3.296 52.871 1.00 24.16 C ATOM 1915 CG1 VAL A 901 8.386 -3.360 54.391 1.00 25.39 C ATOM 1916 CG2 VAL A 901 9.965 -3.503 52.457 1.00 24.40 C ATOM 0 H VAL A 901 7.639 -3.585 50.392 1.00 21.05 H new ATOM 0 HA VAL A 901 7.907 -5.267 52.470 1.00 22.83 H new ATOM 0 HB VAL A 901 8.223 -2.420 52.575 1.00 24.16 H new ATOM 0 HG11 VAL A 901 8.948 -2.679 54.793 1.00 25.39 H new ATOM 0 HG12 VAL A 901 7.462 -3.207 54.644 1.00 25.39 H new ATOM 0 HG13 VAL A 901 8.665 -4.235 54.703 1.00 25.39 H new ATOM 0 HG21 VAL A 901 10.521 -2.825 52.873 1.00 24.40 H new ATOM 0 HG22 VAL A 901 10.261 -4.382 52.742 1.00 24.40 H new ATOM 0 HG23 VAL A 901 10.039 -3.434 51.492 1.00 24.40 H new ATOM 1917 N GLN A 902 5.482 -3.223 52.172 1.00 21.59 N ATOM 1918 CA GLN A 902 4.115 -2.965 52.613 1.00 22.82 C ATOM 1919 C GLN A 902 3.036 -3.728 51.850 1.00 20.37 C ATOM 1920 O GLN A 902 2.116 -4.274 52.455 1.00 20.76 O ATOM 1921 CB GLN A 902 3.812 -1.466 52.534 1.00 25.05 C ATOM 1922 CG GLN A 902 4.864 -0.569 53.161 1.00 30.41 C ATOM 1923 CD GLN A 902 5.235 -0.996 54.556 1.00 31.73 C ATOM 1924 OE1 GLN A 902 4.385 -1.438 55.329 1.00 34.12 O ATOM 1925 NE2 GLN A 902 6.512 -0.859 54.896 1.00 34.09 N ATOM 0 H GLN A 902 5.767 -2.696 51.556 1.00 21.59 H new ATOM 0 HA GLN A 902 4.081 -3.288 53.527 1.00 22.82 H new ATOM 0 HB2 GLN A 902 3.708 -1.219 51.602 1.00 25.05 H new ATOM 0 HB3 GLN A 902 2.961 -1.298 52.968 1.00 25.05 H new ATOM 0 HG2 GLN A 902 5.658 -0.571 52.604 1.00 30.41 H new ATOM 0 HG3 GLN A 902 4.535 0.343 53.183 1.00 30.41 H new ATOM 0 HE21 GLN A 902 7.077 -0.546 54.328 1.00 34.09 H new ATOM 0 HE22 GLN A 902 6.774 -1.083 55.684 1.00 34.09 H new ATOM 1926 N VAL A 903 3.133 -3.765 50.525 1.00 18.98 N ATOM 1927 CA VAL A 903 2.118 -4.460 49.739 1.00 17.55 C ATOM 1928 C VAL A 903 1.931 -5.929 50.153 1.00 17.50 C ATOM 1929 O VAL A 903 0.800 -6.409 50.248 1.00 17.55 O ATOM 1930 CB VAL A 903 2.415 -4.355 48.215 1.00 18.38 C ATOM 1931 CG1 VAL A 903 1.430 -5.204 47.419 1.00 19.95 C ATOM 1932 CG2 VAL A 903 2.303 -2.894 47.774 1.00 20.29 C ATOM 0 H VAL A 903 3.765 -3.402 50.068 1.00 18.98 H new ATOM 0 HA VAL A 903 1.280 -4.009 49.927 1.00 17.55 H new ATOM 0 HB VAL A 903 3.313 -4.681 48.048 1.00 18.38 H new ATOM 0 HG11 VAL A 903 1.628 -5.128 46.473 1.00 19.95 H new ATOM 0 HG12 VAL A 903 1.508 -6.132 47.692 1.00 19.95 H new ATOM 0 HG13 VAL A 903 0.526 -4.893 47.586 1.00 19.95 H new ATOM 0 HG21 VAL A 903 2.488 -2.827 46.824 1.00 20.29 H new ATOM 0 HG22 VAL A 903 1.406 -2.570 47.952 1.00 20.29 H new ATOM 0 HG23 VAL A 903 2.944 -2.357 48.266 1.00 20.29 H new ATOM 1933 N PRO A 904 3.029 -6.665 50.413 1.00 17.05 N ATOM 1934 CA PRO A 904 2.861 -8.069 50.814 1.00 17.28 C ATOM 1935 C PRO A 904 2.075 -8.221 52.121 1.00 17.81 C ATOM 1936 O PRO A 904 1.436 -9.250 52.349 1.00 18.89 O ATOM 1937 CB PRO A 904 4.304 -8.568 50.946 1.00 16.26 C ATOM 1938 CG PRO A 904 5.036 -7.734 49.953 1.00 17.22 C ATOM 1939 CD PRO A 904 4.454 -6.355 50.201 1.00 17.59 C ATOM 0 HA PRO A 904 2.339 -8.579 50.174 1.00 17.28 H new ATOM 0 HB2 PRO A 904 4.647 -8.442 51.844 1.00 16.26 H new ATOM 0 HB3 PRO A 904 4.377 -9.514 50.745 1.00 16.26 H new ATOM 0 HG2 PRO A 904 5.995 -7.754 50.099 1.00 17.22 H new ATOM 0 HG3 PRO A 904 4.882 -8.034 49.044 1.00 17.22 H new ATOM 0 HD2 PRO A 904 4.852 -5.925 50.974 1.00 17.59 H new ATOM 0 HD3 PRO A 904 4.589 -5.761 49.446 1.00 17.59 H new ATOM 1940 N LYS A 905 2.129 -7.211 52.986 1.00 18.81 N ATOM 1941 CA LYS A 905 1.381 -7.279 54.242 1.00 19.25 C ATOM 1942 C LYS A 905 -0.108 -7.230 53.913 1.00 21.05 C ATOM 1943 O LYS A 905 -0.933 -7.826 54.603 1.00 21.60 O ATOM 1944 CB LYS A 905 1.750 -6.118 55.166 1.00 21.82 C ATOM 1945 CG LYS A 905 3.181 -6.168 55.688 1.00 22.81 C ATOM 1946 CD LYS A 905 3.379 -5.166 56.816 1.00 27.07 C ATOM 1947 CE LYS A 905 4.793 -5.217 57.369 1.00 30.15 C ATOM 1948 NZ LYS A 905 5.784 -4.736 56.368 1.00 32.46 N ATOM 0 H LYS A 905 2.583 -6.490 52.870 1.00 18.81 H new ATOM 0 HA LYS A 905 1.601 -8.103 54.704 1.00 19.25 H new ATOM 0 HB2 LYS A 905 1.619 -5.284 54.689 1.00 21.82 H new ATOM 0 HB3 LYS A 905 1.141 -6.112 55.921 1.00 21.82 H new ATOM 0 HG2 LYS A 905 3.383 -7.062 56.005 1.00 22.81 H new ATOM 0 HG3 LYS A 905 3.800 -5.976 54.966 1.00 22.81 H new ATOM 0 HD2 LYS A 905 3.190 -4.272 56.492 1.00 27.07 H new ATOM 0 HD3 LYS A 905 2.746 -5.350 57.528 1.00 27.07 H new ATOM 0 HE2 LYS A 905 4.849 -4.672 58.170 1.00 30.15 H new ATOM 0 HE3 LYS A 905 5.008 -6.126 57.629 1.00 30.15 H new ATOM 0 HZ1 LYS A 905 6.494 -5.273 56.371 1.00 32.46 H new ATOM 0 HZ2 LYS A 905 5.414 -4.738 55.559 1.00 32.46 H new ATOM 0 HZ3 LYS A 905 6.038 -3.909 56.575 1.00 32.46 H new ATOM 1949 N ILE A 906 -0.451 -6.507 52.853 1.00 20.49 N ATOM 1950 CA ILE A 906 -1.843 -6.421 52.434 1.00 20.19 C ATOM 1951 C ILE A 906 -2.250 -7.750 51.801 1.00 20.28 C ATOM 1952 O ILE A 906 -3.288 -8.327 52.143 1.00 21.90 O ATOM 1953 CB ILE A 906 -2.052 -5.291 51.399 1.00 21.40 C ATOM 1954 CG1 ILE A 906 -1.731 -3.937 52.041 1.00 23.22 C ATOM 1955 CG2 ILE A 906 -3.485 -5.322 50.874 1.00 21.80 C ATOM 1956 CD1 ILE A 906 -1.737 -2.776 51.065 1.00 22.13 C ATOM 0 H ILE A 906 0.102 -6.062 52.367 1.00 20.49 H new ATOM 0 HA ILE A 906 -2.386 -6.226 53.214 1.00 20.19 H new ATOM 0 HB ILE A 906 -1.453 -5.425 50.648 1.00 21.40 H new ATOM 0 HG12 ILE A 906 -2.377 -3.761 52.743 1.00 23.22 H new ATOM 0 HG13 ILE A 906 -0.859 -3.988 52.464 1.00 23.22 H new ATOM 0 HG21 ILE A 906 -3.608 -4.611 50.226 1.00 21.80 H new ATOM 0 HG22 ILE A 906 -3.656 -6.178 50.451 1.00 21.80 H new ATOM 0 HG23 ILE A 906 -4.103 -5.197 51.611 1.00 21.80 H new ATOM 0 HD11 ILE A 906 -1.527 -1.955 51.537 1.00 22.13 H new ATOM 0 HD12 ILE A 906 -1.073 -2.930 50.374 1.00 22.13 H new ATOM 0 HD13 ILE A 906 -2.614 -2.699 50.658 1.00 22.13 H new ATOM 1957 N LEU A 907 -1.423 -8.237 50.882 1.00 19.34 N ATOM 1958 CA LEU A 907 -1.705 -9.482 50.187 1.00 18.76 C ATOM 1959 C LEU A 907 -1.752 -10.708 51.095 1.00 18.93 C ATOM 1960 O LEU A 907 -2.477 -11.661 50.807 1.00 21.63 O ATOM 1961 CB LEU A 907 -0.680 -9.697 49.069 1.00 19.26 C ATOM 1962 CG LEU A 907 -0.690 -8.610 47.989 1.00 19.25 C ATOM 1963 CD1 LEU A 907 0.380 -8.892 46.944 1.00 19.93 C ATOM 1964 CD2 LEU A 907 -2.069 -8.556 47.347 1.00 21.32 C ATOM 0 H LEU A 907 -0.688 -7.857 50.647 1.00 19.34 H new ATOM 0 HA LEU A 907 -2.598 -9.389 49.819 1.00 18.76 H new ATOM 0 HB2 LEU A 907 0.206 -9.741 49.461 1.00 19.26 H new ATOM 0 HB3 LEU A 907 -0.848 -10.556 48.651 1.00 19.26 H new ATOM 0 HG LEU A 907 -0.493 -7.750 48.393 1.00 19.25 H new ATOM 0 HD11 LEU A 907 0.363 -8.197 46.267 1.00 19.93 H new ATOM 0 HD12 LEU A 907 1.252 -8.907 47.369 1.00 19.93 H new ATOM 0 HD13 LEU A 907 0.208 -9.752 46.529 1.00 19.93 H new ATOM 0 HD21 LEU A 907 -2.081 -7.869 46.662 1.00 21.32 H new ATOM 0 HD22 LEU A 907 -2.273 -9.415 46.946 1.00 21.32 H new ATOM 0 HD23 LEU A 907 -2.733 -8.349 48.023 1.00 21.32 H new ATOM 1965 N SER A 908 -0.988 -10.687 52.185 1.00 19.23 N ATOM 1966 CA SER A 908 -0.965 -11.819 53.117 1.00 20.22 C ATOM 1967 C SER A 908 -2.043 -11.708 54.194 1.00 21.64 C ATOM 1968 O SER A 908 -2.115 -12.542 55.105 1.00 22.61 O ATOM 1969 CB SER A 908 0.411 -11.940 53.773 1.00 18.09 C ATOM 1970 OG SER A 908 0.684 -10.828 54.605 1.00 19.92 O ATOM 0 H SER A 908 -0.477 -10.031 52.405 1.00 19.23 H new ATOM 0 HA SER A 908 -1.151 -12.617 52.598 1.00 20.22 H new ATOM 0 HB2 SER A 908 0.451 -12.756 54.296 1.00 18.09 H new ATOM 0 HB3 SER A 908 1.094 -12.009 53.087 1.00 18.09 H new ATOM 0 HG SER A 908 0.945 -10.183 54.134 1.00 19.92 H new ATOM 1971 N GLY A 909 -2.869 -10.669 54.094 1.00 21.42 N ATOM 1972 CA GLY A 909 -3.954 -10.482 55.046 1.00 21.87 C ATOM 1973 C GLY A 909 -3.631 -9.852 56.389 1.00 20.65 C ATOM 1974 O GLY A 909 -4.476 -9.858 57.282 1.00 24.20 O ATOM 0 H GLY A 909 -2.817 -10.065 53.484 1.00 21.42 H new ATOM 0 HA2 GLY A 909 -4.632 -9.936 54.618 1.00 21.87 H new ATOM 0 HA3 GLY A 909 -4.353 -11.350 55.214 1.00 21.87 H new ATOM 1975 N LYS A 910 -2.429 -9.306 56.544 1.00 19.46 N ATOM 1976 CA LYS A 910 -2.036 -8.677 57.798 1.00 21.11 C ATOM 1977 C LYS A 910 -2.546 -7.243 57.868 1.00 22.11 C ATOM 1978 O LYS A 910 -2.686 -6.675 58.949 1.00 23.66 O ATOM 1979 CB LYS A 910 -0.510 -8.724 57.951 1.00 21.54 C ATOM 1980 CG LYS A 910 0.018 -10.150 58.057 1.00 23.81 C ATOM 1981 CD LYS A 910 1.539 -10.246 57.947 1.00 26.15 C ATOM 1982 CE LYS A 910 2.245 -9.703 59.166 1.00 28.26 C ATOM 1983 NZ LYS A 910 3.712 -9.973 59.084 1.00 26.97 N ATOM 0 H LYS A 910 -1.825 -9.290 55.932 1.00 19.46 H new ATOM 0 HA LYS A 910 -2.436 -9.169 58.532 1.00 21.11 H new ATOM 0 HB2 LYS A 910 -0.097 -8.284 57.191 1.00 21.54 H new ATOM 0 HB3 LYS A 910 -0.251 -8.226 58.742 1.00 21.54 H new ATOM 0 HG2 LYS A 910 -0.262 -10.529 58.905 1.00 23.81 H new ATOM 0 HG3 LYS A 910 -0.384 -10.689 57.358 1.00 23.81 H new ATOM 0 HD2 LYS A 910 1.793 -11.173 57.817 1.00 26.15 H new ATOM 0 HD3 LYS A 910 1.835 -9.758 57.162 1.00 26.15 H new ATOM 0 HE2 LYS A 910 2.090 -8.748 59.238 1.00 28.26 H new ATOM 0 HE3 LYS A 910 1.880 -10.111 59.967 1.00 28.26 H new ATOM 0 HZ1 LYS A 910 4.115 -9.648 59.808 1.00 26.97 H new ATOM 0 HZ2 LYS A 910 3.850 -10.851 59.037 1.00 26.97 H new ATOM 0 HZ3 LYS A 910 4.046 -9.581 58.358 1.00 26.97 H new ATOM 1984 N VAL A 911 -2.826 -6.671 56.702 1.00 22.10 N ATOM 1985 CA VAL A 911 -3.355 -5.315 56.590 1.00 22.84 C ATOM 1986 C VAL A 911 -4.597 -5.433 55.714 1.00 21.36 C ATOM 1987 O VAL A 911 -4.534 -5.969 54.609 1.00 21.01 O ATOM 1988 CB VAL A 911 -2.337 -4.371 55.924 1.00 22.50 C ATOM 1989 CG1 VAL A 911 -2.956 -2.993 55.717 1.00 24.43 C ATOM 1990 CG2 VAL A 911 -1.096 -4.264 56.789 1.00 24.29 C ATOM 0 H VAL A 911 -2.713 -7.063 55.945 1.00 22.10 H new ATOM 0 HA VAL A 911 -3.551 -4.945 57.465 1.00 22.84 H new ATOM 0 HB VAL A 911 -2.089 -4.732 55.058 1.00 22.50 H new ATOM 0 HG11 VAL A 911 -2.307 -2.406 55.297 1.00 24.43 H new ATOM 0 HG12 VAL A 911 -3.737 -3.071 55.147 1.00 24.43 H new ATOM 0 HG13 VAL A 911 -3.218 -2.624 56.575 1.00 24.43 H new ATOM 0 HG21 VAL A 911 -0.457 -3.669 56.366 1.00 24.29 H new ATOM 0 HG22 VAL A 911 -1.338 -3.912 57.660 1.00 24.29 H new ATOM 0 HG23 VAL A 911 -0.698 -5.142 56.894 1.00 24.29 H new ATOM 1991 N LYS A 912 -5.731 -4.938 56.201 1.00 22.46 N ATOM 1992 CA LYS A 912 -6.965 -5.062 55.442 1.00 23.41 C ATOM 1993 C LYS A 912 -7.759 -3.771 55.310 1.00 22.23 C ATOM 1994 O LYS A 912 -7.733 -2.919 56.191 1.00 22.01 O ATOM 1995 CB LYS A 912 -7.858 -6.131 56.081 1.00 26.07 C ATOM 1996 CG LYS A 912 -7.171 -7.483 56.263 1.00 31.26 C ATOM 1997 CD LYS A 912 -8.131 -8.546 56.789 1.00 36.38 C ATOM 1998 CE LYS A 912 -8.643 -8.208 58.180 1.00 38.78 C ATOM 1999 NZ LYS A 912 -9.515 -9.291 58.723 1.00 42.76 N ATOM 0 H LYS A 912 -5.805 -4.534 56.956 1.00 22.46 H new ATOM 0 HA LYS A 912 -6.695 -5.311 54.544 1.00 23.41 H new ATOM 0 HB2 LYS A 912 -8.160 -5.813 56.946 1.00 26.07 H new ATOM 0 HB3 LYS A 912 -8.648 -6.251 55.531 1.00 26.07 H new ATOM 0 HG2 LYS A 912 -6.801 -7.774 55.415 1.00 31.26 H new ATOM 0 HG3 LYS A 912 -6.428 -7.387 56.879 1.00 31.26 H new ATOM 0 HD2 LYS A 912 -8.882 -8.633 56.181 1.00 36.38 H new ATOM 0 HD3 LYS A 912 -7.682 -9.405 56.810 1.00 36.38 H new ATOM 0 HE2 LYS A 912 -7.891 -8.067 58.777 1.00 38.78 H new ATOM 0 HE3 LYS A 912 -9.141 -7.376 58.149 1.00 38.78 H new ATOM 0 HZ1 LYS A 912 -9.798 -9.065 59.536 1.00 42.76 H new ATOM 0 HZ2 LYS A 912 -10.216 -9.405 58.186 1.00 42.76 H new ATOM 0 HZ3 LYS A 912 -9.052 -10.049 58.771 1.00 42.76 H new ATOM 2000 N PRO A 913 -8.478 -3.619 54.190 1.00 23.20 N ATOM 2001 CA PRO A 913 -9.291 -2.428 53.939 1.00 23.15 C ATOM 2002 C PRO A 913 -10.482 -2.412 54.882 1.00 23.58 C ATOM 2003 O PRO A 913 -10.927 -3.461 55.348 1.00 23.90 O ATOM 2004 CB PRO A 913 -9.745 -2.611 52.493 1.00 24.70 C ATOM 2005 CG PRO A 913 -8.696 -3.510 51.899 1.00 25.55 C ATOM 2006 CD PRO A 913 -8.461 -4.493 53.007 1.00 23.76 C ATOM 0 HA PRO A 913 -8.816 -1.594 54.079 1.00 23.15 H new ATOM 0 HB2 PRO A 913 -10.627 -3.012 52.445 1.00 24.70 H new ATOM 0 HB3 PRO A 913 -9.794 -1.763 52.025 1.00 24.70 H new ATOM 0 HG2 PRO A 913 -9.007 -3.944 51.089 1.00 25.55 H new ATOM 0 HG3 PRO A 913 -7.889 -3.023 51.669 1.00 25.55 H new ATOM 0 HD2 PRO A 913 -9.153 -5.171 53.045 1.00 23.76 H new ATOM 0 HD3 PRO A 913 -7.615 -4.957 52.909 1.00 23.76 H new ATOM 2007 N ILE A 914 -10.991 -1.220 55.163 1.00 22.40 N ATOM 2008 CA ILE A 914 -12.156 -1.083 56.015 1.00 23.26 C ATOM 2009 C ILE A 914 -13.323 -0.913 55.052 1.00 23.83 C ATOM 2010 O ILE A 914 -13.433 0.110 54.376 1.00 22.38 O ATOM 2011 CB ILE A 914 -12.054 0.162 56.919 1.00 23.10 C ATOM 2012 CG1 ILE A 914 -10.860 0.025 57.867 1.00 23.28 C ATOM 2013 CG2 ILE A 914 -13.344 0.332 57.712 1.00 24.78 C ATOM 2014 CD1 ILE A 914 -10.558 1.291 58.665 1.00 23.50 C ATOM 0 H ILE A 914 -10.673 -0.477 54.868 1.00 22.40 H new ATOM 0 HA ILE A 914 -12.252 -1.848 56.603 1.00 23.26 H new ATOM 0 HB ILE A 914 -11.921 0.947 56.365 1.00 23.10 H new ATOM 0 HG12 ILE A 914 -11.030 -0.704 58.484 1.00 23.28 H new ATOM 0 HG13 ILE A 914 -10.075 -0.217 57.352 1.00 23.28 H new ATOM 0 HG21 ILE A 914 -13.275 1.116 58.279 1.00 24.78 H new ATOM 0 HG22 ILE A 914 -14.088 0.441 57.100 1.00 24.78 H new ATOM 0 HG23 ILE A 914 -13.491 -0.453 58.263 1.00 24.78 H new ATOM 0 HD11 ILE A 914 -9.794 1.135 59.242 1.00 23.50 H new ATOM 0 HD12 ILE A 914 -10.359 2.018 58.055 1.00 23.50 H new ATOM 0 HD13 ILE A 914 -11.329 1.525 59.205 1.00 23.50 H new ATOM 2015 N TYR A 915 -14.171 -1.933 54.966 1.00 23.84 N ATOM 2016 CA TYR A 915 -15.331 -1.885 54.088 1.00 25.29 C ATOM 2017 C TYR A 915 -16.552 -1.383 54.843 1.00 24.28 C ATOM 2018 O TYR A 915 -16.766 -1.745 55.998 1.00 27.15 O ATOM 2019 CB TYR A 915 -15.650 -3.276 53.527 1.00 26.28 C ATOM 2020 CG TYR A 915 -14.727 -3.756 52.434 1.00 27.28 C ATOM 2021 CD1 TYR A 915 -13.615 -4.544 52.724 1.00 29.51 C ATOM 2022 CD2 TYR A 915 -14.979 -3.437 51.100 1.00 28.67 C ATOM 2023 CE1 TYR A 915 -12.777 -5.008 51.707 1.00 29.88 C ATOM 2024 CE2 TYR A 915 -14.152 -3.890 50.081 1.00 29.36 C ATOM 2025 CZ TYR A 915 -13.055 -4.675 50.390 1.00 30.79 C ATOM 2026 OH TYR A 915 -12.243 -5.126 49.376 1.00 34.06 O ATOM 0 H TYR A 915 -14.090 -2.665 55.411 1.00 23.84 H new ATOM 0 HA TYR A 915 -15.119 -1.280 53.360 1.00 25.29 H new ATOM 0 HB2 TYR A 915 -15.625 -3.916 54.255 1.00 26.28 H new ATOM 0 HB3 TYR A 915 -16.558 -3.270 53.185 1.00 26.28 H new ATOM 0 HD1 TYR A 915 -13.428 -4.764 53.608 1.00 29.51 H new ATOM 0 HD2 TYR A 915 -15.716 -2.910 50.889 1.00 28.67 H new ATOM 0 HE1 TYR A 915 -12.039 -5.536 51.912 1.00 29.88 H new ATOM 0 HE2 TYR A 915 -14.334 -3.667 49.197 1.00 29.36 H new ATOM 0 HH TYR A 915 -12.534 -4.847 48.639 1.00 34.06 H new ATOM 2027 N PHE A 916 -17.355 -0.548 54.198 1.00 21.56 N ATOM 2028 CA PHE A 916 -18.559 -0.053 54.846 1.00 20.84 C ATOM 2029 C PHE A 916 -19.600 -1.165 54.880 1.00 21.27 C ATOM 2030 O PHE A 916 -20.263 -1.389 55.895 1.00 21.41 O ATOM 2031 CB PHE A 916 -19.133 1.148 54.090 1.00 20.51 C ATOM 2032 CG PHE A 916 -18.428 2.438 54.380 1.00 22.08 C ATOM 2033 CD1 PHE A 916 -17.451 2.931 53.516 1.00 21.39 C ATOM 2034 CD2 PHE A 916 -18.731 3.156 55.532 1.00 22.31 C ATOM 2035 CE1 PHE A 916 -16.783 4.121 53.801 1.00 23.11 C ATOM 2036 CE2 PHE A 916 -18.073 4.344 55.831 1.00 24.43 C ATOM 2037 CZ PHE A 916 -17.095 4.832 54.962 1.00 23.60 C ATOM 0 H PHE A 916 -17.224 -0.260 53.398 1.00 21.56 H new ATOM 0 HA PHE A 916 -18.333 0.228 55.747 1.00 20.84 H new ATOM 0 HB2 PHE A 916 -19.088 0.971 53.137 1.00 20.51 H new ATOM 0 HB3 PHE A 916 -20.071 1.244 54.317 1.00 20.51 H new ATOM 0 HD1 PHE A 916 -17.243 2.461 52.741 1.00 21.39 H new ATOM 0 HD2 PHE A 916 -19.384 2.836 56.112 1.00 22.31 H new ATOM 0 HE1 PHE A 916 -16.131 4.441 53.220 1.00 23.11 H new ATOM 0 HE2 PHE A 916 -18.284 4.812 56.607 1.00 24.43 H new ATOM 0 HZ PHE A 916 -16.653 5.627 55.155 1.00 23.60 H new ATOM 2038 N HIS A 917 -19.722 -1.867 53.761 1.00 23.48 N ATOM 2039 CA HIS A 917 -20.693 -2.946 53.622 1.00 26.52 C ATOM 2040 C HIS A 917 -19.991 -4.297 53.660 1.00 30.00 C ATOM 2041 O HIS A 917 -18.769 -4.369 53.539 1.00 32.96 O ATOM 2042 CB HIS A 917 -21.443 -2.758 52.307 1.00 25.22 C ATOM 2043 CG HIS A 917 -22.075 -1.406 52.172 1.00 22.10 C ATOM 2044 ND1 HIS A 917 -23.342 -1.126 52.640 1.00 22.07 N ATOM 2045 CD2 HIS A 917 -21.594 -0.244 51.670 1.00 23.44 C ATOM 2046 CE1 HIS A 917 -23.614 0.149 52.431 1.00 22.72 C ATOM 2047 NE2 HIS A 917 -22.569 0.708 51.844 1.00 22.78 N ATOM 0 H HIS A 917 -19.244 -1.732 53.059 1.00 23.48 H new ATOM 0 HA HIS A 917 -21.324 -2.922 54.359 1.00 26.52 H new ATOM 0 HB2 HIS A 917 -20.829 -2.896 51.569 1.00 25.22 H new ATOM 0 HB3 HIS A 917 -22.131 -3.438 52.234 1.00 25.22 H new ATOM 0 HD1 HIS A 917 -23.872 -1.693 53.010 1.00 22.07 H new ATOM 0 HD2 HIS A 917 -20.760 -0.115 51.280 1.00 23.44 H new ATOM 0 HE1 HIS A 917 -24.406 0.581 52.658 1.00 22.72 H new ATOM 2048 N THR A 918 -20.756 -5.369 53.831 1.00 33.18 N ATOM 2049 CA THR A 918 -20.156 -6.698 53.900 1.00 37.08 C ATOM 2050 C THR A 918 -20.599 -7.570 52.728 1.00 38.75 C ATOM 2051 O THR A 918 -21.124 -8.677 52.975 1.00 41.11 O ATOM 2052 CB THR A 918 -20.523 -7.404 55.227 1.00 37.56 C ATOM 2053 OG1 THR A 918 -20.300 -6.513 56.327 1.00 38.05 O ATOM 2054 CG2 THR A 918 -19.664 -8.647 55.425 1.00 38.05 C ATOM 0 H THR A 918 -21.612 -5.351 53.908 1.00 33.18 H new ATOM 0 HA THR A 918 -19.194 -6.578 53.856 1.00 37.08 H new ATOM 0 HB THR A 918 -21.458 -7.660 55.188 1.00 37.56 H new ATOM 0 HG1 THR A 918 -20.502 -6.899 57.046 1.00 38.05 H new ATOM 0 HG21 THR A 918 -19.906 -9.078 56.260 1.00 38.05 H new ATOM 0 HG22 THR A 918 -19.811 -9.262 54.690 1.00 38.05 H new ATOM 0 HG23 THR A 918 -18.728 -8.393 55.452 1.00 38.05 H new TER 2055 THR A 918 ATOM 2056 N GLY B 99 14.079 5.597 54.741 1.00 43.39 N ATOM 2057 CA GLY B 99 13.894 5.656 53.262 1.00 43.75 C ATOM 2058 C GLY B 99 13.584 7.053 52.756 1.00 43.97 C ATOM 2059 O GLY B 99 13.382 7.977 53.546 1.00 43.38 O ATOM 0 HA2 GLY B 99 14.698 5.332 52.828 1.00 43.75 H new ATOM 0 HA3 GLY B 99 13.174 5.058 53.007 1.00 43.75 H new ATOM 2060 N LEU B 100 13.548 7.209 51.435 1.00 43.14 N ATOM 2061 CA LEU B 100 13.257 8.501 50.825 1.00 42.64 C ATOM 2062 C LEU B 100 11.845 8.948 51.182 1.00 41.70 C ATOM 2063 O LEU B 100 11.558 10.145 51.231 1.00 41.70 O ATOM 2064 CB LEU B 100 13.395 8.419 49.302 1.00 44.46 C ATOM 2065 CG LEU B 100 14.776 8.094 48.727 1.00 45.50 C ATOM 2066 CD1 LEU B 100 14.684 8.027 47.210 1.00 46.38 C ATOM 2067 CD2 LEU B 100 15.787 9.150 49.156 1.00 46.65 C ATOM 0 H LEU B 100 13.690 6.574 50.872 1.00 43.14 H new ATOM 0 HA LEU B 100 13.894 9.147 51.167 1.00 42.64 H new ATOM 0 HB2 LEU B 100 12.773 7.747 48.982 1.00 44.46 H new ATOM 0 HB3 LEU B 100 13.110 9.269 48.931 1.00 44.46 H new ATOM 0 HG LEU B 100 15.074 7.235 49.066 1.00 45.50 H new ATOM 0 HD11 LEU B 100 15.557 7.821 46.841 1.00 46.38 H new ATOM 0 HD12 LEU B 100 14.054 7.335 46.954 1.00 46.38 H new ATOM 0 HD13 LEU B 100 14.382 8.882 46.866 1.00 46.38 H new ATOM 0 HD21 LEU B 100 16.657 8.934 48.786 1.00 46.65 H new ATOM 0 HD22 LEU B 100 15.505 10.019 48.831 1.00 46.65 H new ATOM 0 HD23 LEU B 100 15.843 9.170 50.124 1.00 46.65 H new ATOM 2068 N LEU B 101 10.965 7.980 51.424 1.00 40.30 N ATOM 2069 CA LEU B 101 9.585 8.279 51.785 1.00 40.26 C ATOM 2070 C LEU B 101 9.570 8.891 53.180 1.00 40.48 C ATOM 2071 O LEU B 101 8.913 9.903 53.420 1.00 38.55 O ATOM 2072 CB LEU B 101 8.740 7.002 51.775 1.00 39.21 C ATOM 2073 CG LEU B 101 7.246 7.177 52.070 1.00 38.58 C ATOM 2074 CD1 LEU B 101 6.613 8.019 50.976 1.00 38.14 C ATOM 2075 CD2 LEU B 101 6.565 5.820 52.154 1.00 39.02 C ATOM 0 H LEU B 101 11.149 7.141 51.384 1.00 40.30 H new ATOM 0 HA LEU B 101 9.210 8.900 51.141 1.00 40.26 H new ATOM 0 HB2 LEU B 101 8.832 6.582 50.905 1.00 39.21 H new ATOM 0 HB3 LEU B 101 9.110 6.387 52.427 1.00 39.21 H new ATOM 0 HG LEU B 101 7.137 7.627 52.923 1.00 38.58 H new ATOM 0 HD11 LEU B 101 5.667 8.131 51.160 1.00 38.14 H new ATOM 0 HD12 LEU B 101 7.042 8.889 50.948 1.00 38.14 H new ATOM 0 HD13 LEU B 101 6.725 7.576 50.121 1.00 38.14 H new ATOM 0 HD21 LEU B 101 5.621 5.942 52.341 1.00 39.02 H new ATOM 0 HD22 LEU B 101 6.669 5.353 51.310 1.00 39.02 H new ATOM 0 HD23 LEU B 101 6.970 5.298 52.864 1.00 39.02 H new ATOM 2076 N TRP B 102 10.305 8.266 54.096 1.00 41.99 N ATOM 2077 CA TRP B 102 10.393 8.748 55.468 1.00 43.49 C ATOM 2078 C TRP B 102 10.954 10.165 55.498 1.00 43.29 C ATOM 2079 O TRP B 102 10.467 11.018 56.240 1.00 42.08 O ATOM 2080 CB TRP B 102 11.277 7.812 56.298 1.00 46.45 C ATOM 2081 CG TRP B 102 11.590 8.329 57.669 1.00 49.20 C ATOM 2082 CD1 TRP B 102 12.658 9.097 58.033 1.00 50.24 C ATOM 2083 CD2 TRP B 102 10.809 8.141 58.854 1.00 50.72 C ATOM 2084 NE1 TRP B 102 12.592 9.399 59.371 1.00 51.36 N ATOM 2085 CE2 TRP B 102 11.464 8.826 59.901 1.00 51.48 C ATOM 2086 CE3 TRP B 102 9.614 7.462 59.134 1.00 51.35 C ATOM 2087 CZ2 TRP B 102 10.969 8.851 61.209 1.00 51.96 C ATOM 2088 CZ3 TRP B 102 9.120 7.486 60.436 1.00 52.55 C ATOM 2089 CH2 TRP B 102 9.799 8.178 61.456 1.00 52.49 C ATOM 0 H TRP B 102 10.763 7.555 53.940 1.00 41.99 H new ATOM 0 HA TRP B 102 9.502 8.760 55.851 1.00 43.49 H new ATOM 0 HB2 TRP B 102 10.835 6.952 56.379 1.00 46.45 H new ATOM 0 HB3 TRP B 102 12.108 7.660 55.822 1.00 46.45 H new ATOM 0 HD1 TRP B 102 13.333 9.376 57.458 1.00 50.24 H new ATOM 0 HE1 TRP B 102 13.165 9.871 59.806 1.00 51.36 H new ATOM 0 HE3 TRP B 102 9.160 7.005 58.463 1.00 51.35 H new ATOM 0 HZ2 TRP B 102 11.416 9.306 61.886 1.00 51.96 H new ATOM 0 HZ3 TRP B 102 8.330 7.038 60.634 1.00 52.55 H new ATOM 0 HH2 TRP B 102 9.447 8.179 62.317 1.00 52.49 H new ATOM 2090 N ASP B 103 11.980 10.409 54.688 1.00 43.03 N ATOM 2091 CA ASP B 103 12.596 11.728 54.609 1.00 44.05 C ATOM 2092 C ASP B 103 11.585 12.727 54.061 1.00 43.26 C ATOM 2093 O ASP B 103 11.511 13.871 54.510 1.00 42.62 O ATOM 2094 CB ASP B 103 13.821 11.686 53.693 1.00 46.45 C ATOM 2095 CG ASP B 103 14.982 10.930 54.307 1.00 49.11 C ATOM 2096 OD1 ASP B 103 14.782 9.779 54.750 1.00 50.23 O ATOM 2097 OD2 ASP B 103 16.100 11.488 54.341 1.00 51.23 O ATOM 0 H ASP B 103 12.336 9.819 54.173 1.00 43.03 H new ATOM 0 HA ASP B 103 12.877 11.999 55.497 1.00 44.05 H new ATOM 0 HB2 ASP B 103 13.577 11.270 52.851 1.00 46.45 H new ATOM 0 HB3 ASP B 103 14.101 12.593 53.491 1.00 46.45 H new ATOM 2098 N LEU B 104 10.811 12.276 53.081 1.00 42.49 N ATOM 2099 CA LEU B 104 9.796 13.103 52.445 1.00 41.75 C ATOM 2100 C LEU B 104 8.731 13.468 53.475 1.00 40.80 C ATOM 2101 O LEU B 104 8.306 14.620 53.571 1.00 40.44 O ATOM 2102 CB LEU B 104 9.161 12.326 51.289 1.00 43.05 C ATOM 2103 CG LEU B 104 8.633 13.077 50.064 1.00 44.69 C ATOM 2104 CD1 LEU B 104 8.098 12.058 49.067 1.00 45.06 C ATOM 2105 CD2 LEU B 104 7.549 14.068 50.461 1.00 45.85 C ATOM 0 H LEU B 104 10.861 11.478 52.765 1.00 42.49 H new ATOM 0 HA LEU B 104 10.199 13.915 52.099 1.00 41.75 H new ATOM 0 HB2 LEU B 104 9.819 11.687 50.974 1.00 43.05 H new ATOM 0 HB3 LEU B 104 8.422 11.815 51.655 1.00 43.05 H new ATOM 0 HG LEU B 104 9.352 13.586 49.658 1.00 44.69 H new ATOM 0 HD11 LEU B 104 7.759 12.519 48.284 1.00 45.06 H new ATOM 0 HD12 LEU B 104 8.812 11.456 48.804 1.00 45.06 H new ATOM 0 HD13 LEU B 104 7.382 11.549 49.477 1.00 45.06 H new ATOM 0 HD21 LEU B 104 7.229 14.532 49.671 1.00 45.85 H new ATOM 0 HD22 LEU B 104 6.813 13.593 50.877 1.00 45.85 H new ATOM 0 HD23 LEU B 104 7.913 14.712 51.088 1.00 45.85 H new ATOM 2106 N LEU B 105 8.314 12.472 54.250 1.00 39.91 N ATOM 2107 CA LEU B 105 7.295 12.649 55.279 1.00 40.34 C ATOM 2108 C LEU B 105 7.754 13.567 56.409 1.00 41.35 C ATOM 2109 O LEU B 105 6.976 14.378 56.917 1.00 40.37 O ATOM 2110 CB LEU B 105 6.900 11.282 55.851 1.00 39.53 C ATOM 2111 CG LEU B 105 5.848 11.245 56.963 1.00 40.12 C ATOM 2112 CD1 LEU B 105 4.562 11.906 56.480 1.00 40.06 C ATOM 2113 CD2 LEU B 105 5.593 9.800 57.367 1.00 39.59 C ATOM 0 H LEU B 105 8.616 11.669 54.193 1.00 39.91 H new ATOM 0 HA LEU B 105 6.531 13.073 54.859 1.00 40.34 H new ATOM 0 HB2 LEU B 105 6.577 10.735 55.118 1.00 39.53 H new ATOM 0 HB3 LEU B 105 7.704 10.857 56.188 1.00 39.53 H new ATOM 0 HG LEU B 105 6.170 11.734 57.736 1.00 40.12 H new ATOM 0 HD11 LEU B 105 3.899 11.880 57.188 1.00 40.06 H new ATOM 0 HD12 LEU B 105 4.742 12.828 56.240 1.00 40.06 H new ATOM 0 HD13 LEU B 105 4.225 11.431 55.704 1.00 40.06 H new ATOM 0 HD21 LEU B 105 4.927 9.774 58.072 1.00 39.59 H new ATOM 0 HD22 LEU B 105 5.272 9.301 56.600 1.00 39.59 H new ATOM 0 HD23 LEU B 105 6.418 9.403 57.688 1.00 39.59 H new ATOM 2114 N THR B 106 9.018 13.440 56.799 1.00 42.00 N ATOM 2115 CA THR B 106 9.566 14.260 57.874 1.00 44.10 C ATOM 2116 C THR B 106 10.209 15.534 57.332 1.00 45.03 C ATOM 2117 O THR B 106 10.948 16.187 58.094 1.00 46.11 O ATOM 2118 CB THR B 106 10.626 13.478 58.676 1.00 44.27 C ATOM 2119 OG1 THR B 106 11.696 13.085 57.805 1.00 44.22 O ATOM 2120 CG2 THR B 106 10.005 12.235 59.298 1.00 44.06 C ATOM 0 H THR B 106 9.576 12.884 56.454 1.00 42.00 H new ATOM 0 HA THR B 106 8.824 14.497 58.453 1.00 44.10 H new ATOM 0 HB THR B 106 10.969 14.050 59.381 1.00 44.27 H new ATOM 0 HG1 THR B 106 11.441 12.452 57.315 1.00 44.22 H new ATOM 0 HG21 THR B 106 10.680 11.752 59.799 1.00 44.06 H new ATOM 0 HG22 THR B 106 9.286 12.496 59.894 1.00 44.06 H new ATOM 0 HG23 THR B 106 9.653 11.664 58.598 1.00 44.06 H new TER 2121 THR B 106 HETATM 2122 C1 DHT A 200 -0.127 5.431 38.881 1.00 14.79 C HETATM 2123 C2 DHT A 200 -0.939 6.672 39.285 1.00 13.94 C HETATM 2124 C3 DHT A 200 -2.366 6.490 38.693 1.00 15.00 C HETATM 2125 O3 DHT A 200 -2.856 7.407 38.041 1.00 15.65 O HETATM 2126 C4 DHT A 200 -3.061 5.186 38.938 1.00 12.33 C HETATM 2127 C5 DHT A 200 -2.194 3.988 38.474 1.00 13.31 C HETATM 2128 C6 DHT A 200 -2.896 2.618 38.725 1.00 13.88 C HETATM 2129 C7 DHT A 200 -2.001 1.484 38.205 1.00 14.34 C HETATM 2130 C8 DHT A 200 -0.598 1.469 38.893 1.00 14.45 C HETATM 2131 C9 DHT A 200 0.095 2.857 38.677 1.00 13.76 C HETATM 2132 C10 DHT A 200 -0.771 4.060 39.206 1.00 13.63 C HETATM 2133 C11 DHT A 200 1.513 2.810 39.344 1.00 13.92 C HETATM 2134 C12 DHT A 200 2.426 1.671 38.915 1.00 13.85 C HETATM 2135 C13 DHT A 200 1.732 0.290 38.989 1.00 14.41 C HETATM 2136 C14 DHT A 200 0.316 0.372 38.320 1.00 15.08 C HETATM 2137 C15 DHT A 200 -0.176 -1.082 38.417 1.00 15.81 C HETATM 2138 C16 DHT A 200 1.105 -1.878 38.039 1.00 15.87 C HETATM 2139 C17 DHT A 200 2.266 -0.844 38.139 1.00 16.01 C HETATM 2140 O17 DHT A 200 3.433 -1.476 38.697 1.00 15.66 O HETATM 2141 C18 DHT A 200 1.630 -0.136 40.516 1.00 15.51 C HETATM 2142 C19 DHT A 200 -0.931 3.924 40.781 1.00 12.89 C HETATM 0 H193 DHT A 200 -0.059 3.983 41.201 1.00 12.89 H new HETATM 0 H192 DHT A 200 -1.498 4.638 41.112 1.00 12.89 H new HETATM 0 H191 DHT A 200 -1.334 3.067 40.993 1.00 12.89 H new HETATM 0 H183 DHT A 200 2.520 -0.191 40.897 1.00 15.51 H new HETATM 0 H182 DHT A 200 1.111 0.523 41.002 1.00 15.51 H new HETATM 0 H181 DHT A 200 1.197 -1.001 40.583 1.00 15.51 H new HETATM 0 H162 DHT A 200 1.246 -2.624 38.643 1.00 15.87 H new HETATM 0 H161 DHT A 200 1.039 -2.246 37.144 1.00 15.87 H new HETATM 0 H152 DHT A 200 -0.491 -1.301 39.308 1.00 15.81 H new HETATM 0 H151 DHT A 200 -0.908 -1.260 37.806 1.00 15.81 H new HETATM 0 H122 DHT A 200 2.729 1.829 38.007 1.00 13.85 H new HETATM 0 H121 DHT A 200 3.215 1.663 39.480 1.00 13.85 H new HETATM 0 H112 DHT A 200 1.964 3.648 39.157 1.00 13.92 H new HETATM 0 H111 DHT A 200 1.395 2.759 40.305 1.00 13.92 H new HETATM 0 HO7 DHT A 200 4.100 -0.977 38.589 1.00 15.66 H new HETATM 0 H9 DHT A 200 0.188 3.018 37.725 1.00 13.76 H new HETATM 0 H8 DHT A 200 -0.736 1.288 39.836 1.00 14.45 H new HETATM 0 H72 DHT A 200 -2.441 0.633 38.356 1.00 14.34 H new HETATM 0 H71 DHT A 200 -1.887 1.579 37.246 1.00 14.34 H new HETATM 0 H62 DHT A 200 -3.067 2.500 39.672 1.00 13.88 H new HETATM 0 H61 DHT A 200 -3.756 2.597 38.276 1.00 13.88 H new HETATM 0 H5 DHT A 200 -2.067 4.051 37.514 1.00 13.31 H new HETATM 0 H42 DHT A 200 -3.261 5.096 39.883 1.00 12.33 H new HETATM 0 H41 DHT A 200 -3.909 5.176 38.467 1.00 12.33 H new HETATM 0 H22 DHT A 200 -0.976 6.759 40.250 1.00 13.94 H new HETATM 0 H21 DHT A 200 -0.525 7.480 38.943 1.00 13.94 H new HETATM 0 H17 DHT A 200 2.546 -0.499 37.277 1.00 16.01 H new HETATM 0 H14 DHT A 200 0.328 0.676 37.399 1.00 15.08 H new HETATM 0 H12 DHT A 200 0.038 5.472 37.926 1.00 14.79 H new HETATM 0 H11 DHT A 200 0.737 5.475 39.321 1.00 14.79 H new HETATM 2143 O HOH A 1 -7.713 17.536 48.358 1.00 16.18 O HETATM 2144 O HOH A 2 -1.231 12.139 36.734 1.00 16.76 O HETATM 2145 O HOH A 3 -3.803 9.374 40.491 1.00 16.63 O HETATM 2146 O HOH A 4 -0.788 9.311 26.197 1.00 20.20 O HETATM 2147 O HOH A 5 -4.590 1.023 48.503 1.00 23.22 O HETATM 2148 O HOH A 6 -5.202 19.940 61.598 1.00 22.14 O HETATM 2149 O HOH A 7 -12.725 2.318 50.457 1.00 22.19 O HETATM 2150 O HOH A 8 -2.076 18.458 58.561 1.00 26.07 O HETATM 2151 O HOH A 9 -8.985 15.056 48.763 1.00 17.45 O HETATM 2152 O HOH A 10 8.664 6.135 27.342 1.00 20.54 O HETATM 2153 O HOH A 11 5.999 11.965 23.929 1.00 21.77 O HETATM 2154 O HOH A 12 8.755 4.152 29.413 1.00 24.42 O HETATM 2155 O HOH A 13 5.714 12.945 28.033 1.00 25.04 O HETATM 2156 O HOH A 14 -9.916 26.630 48.827 1.00 21.71 O HETATM 2157 O HOH A 15 7.860 14.823 32.451 1.00 31.46 O HETATM 2158 O HOH A 16 5.991 -12.955 39.798 1.00 26.03 O HETATM 2159 O HOH A 17 7.892 -5.092 26.324 1.00 27.52 O HETATM 2160 O HOH A 18 10.286 10.238 27.497 1.00 23.45 O HETATM 2161 O HOH A 19 -0.462 19.633 47.302 1.00 26.37 O HETATM 2162 O HOH A 20 -17.664 19.007 55.067 1.00 26.04 O HETATM 2163 O HOH A 21 -4.622 12.934 46.707 1.00 25.58 O HETATM 2164 O HOH A 22 -13.510 4.333 52.431 1.00 26.95 O HETATM 2165 O HOH A 23 4.768 16.279 36.492 1.00 29.40 O HETATM 2166 O HOH A 24 -20.480 8.008 33.072 1.00 28.89 O HETATM 2167 O HOH A 25 -19.329 -1.561 46.574 1.00 23.67 O HETATM 2168 O HOH A 26 -13.814 2.766 54.651 1.00 26.43 O HETATM 2169 O HOH A 27 7.652 4.791 24.958 1.00 22.59 O HETATM 2170 O HOH A 28 -14.829 -2.896 42.303 1.00 31.02 O HETATM 2171 O HOH A 29 -1.317 0.875 48.384 1.00 24.88 O HETATM 2172 O HOH A 30 9.277 3.791 50.158 1.00 36.76 O HETATM 2173 O HOH A 31 -13.911 22.484 45.535 1.00 28.94 O HETATM 2174 O HOH A 32 12.014 7.266 24.355 1.00 31.99 O HETATM 2175 O HOH A 33 -2.519 14.473 37.115 1.00 24.29 O HETATM 2176 O HOH A 34 -16.777 1.059 40.839 1.00 25.40 O HETATM 2177 O HOH A 35 -2.749 22.330 55.771 1.00 24.03 O HETATM 2178 O HOH A 36 -16.572 22.593 54.875 1.00 32.80 O HETATM 2179 O HOH A 37 -10.092 16.478 37.093 1.00 31.20 O HETATM 2180 O HOH A 38 -25.041 14.810 42.754 1.00 24.30 O HETATM 2181 O HOH A 39 6.473 14.505 41.804 1.00 32.69 O HETATM 2182 O HOH A 40 -25.270 16.831 39.788 1.00 34.50 O HETATM 2183 O HOH A 41 -25.991 13.806 55.485 1.00 30.45 O HETATM 2184 O HOH A 42 -14.184 0.737 51.811 1.00 27.44 O HETATM 2185 O HOH A 43 -1.450 21.738 37.614 1.00 36.90 O HETATM 2186 O HOH A 44 3.835 4.416 23.563 1.00 31.20 O HETATM 2187 O HOH A 45 -7.780 -2.817 48.811 1.00 24.56 O HETATM 2188 O HOH A 46 -17.099 -2.924 58.140 1.00 26.81 O HETATM 2189 O HOH A 47 -27.344 5.590 54.457 1.00 31.79 O HETATM 2190 O HOH A 48 -24.743 15.232 45.346 1.00 29.62 O HETATM 2191 O HOH A 49 -24.945 11.241 55.576 1.00 33.39 O HETATM 2192 O HOH A 50 -21.353 18.454 46.859 1.00 30.93 O HETATM 2193 O HOH A 51 -12.425 18.624 42.980 1.00 31.94 O HETATM 2194 O HOH A 52 -4.381 -8.905 39.516 1.00 29.61 O HETATM 2195 O HOH A 53 -17.371 14.520 31.726 1.00 32.90 O HETATM 2196 O HOH A 54 -16.069 23.039 57.678 1.00 36.24 O HETATM 2197 O HOH A 55 -13.865 -4.296 56.719 1.00 28.02 O HETATM 2198 O HOH A 56 1.826 1.684 19.062 1.00 39.76 O HETATM 2199 O HOH A 57 2.282 -8.957 36.938 1.00 27.51 O HETATM 2200 O HOH A 58 -5.827 -7.452 52.757 1.00 30.01 O HETATM 2201 O HOH A 59 -19.942 13.741 38.194 1.00 32.60 O HETATM 2202 O HOH A 60 -2.669 14.888 39.902 1.00 29.20 O HETATM 2203 O HOH A 61 -28.821 14.465 40.762 1.00 36.41 O HETATM 2204 O HOH A 62 -10.027 -8.100 44.408 1.00 29.12 O HETATM 2205 O HOH A 63 -1.134 -6.605 61.318 1.00 35.55 O HETATM 2206 O HOH A 64 8.172 7.737 32.157 1.00 30.81 O HETATM 2207 O HOH A 65 -1.892 7.457 65.230 1.00 33.32 O HETATM 2208 O HOH A 66 4.211 12.881 25.726 1.00 28.36 O HETATM 2209 O HOH A 67 -22.612 16.474 39.702 1.00 32.42 O HETATM 2210 O HOH A 68 -6.477 -9.062 31.772 1.00 32.92 O HETATM 2211 O HOH A 69 -19.905 -2.717 49.068 1.00 29.38 O HETATM 2212 O HOH A 70 -19.175 0.233 40.455 1.00 40.33 O HETATM 2213 O HOH A 71 10.161 13.596 32.370 1.00 36.28 O HETATM 2214 O HOH A 72 2.068 -6.957 26.086 1.00 30.01 O HETATM 2215 O HOH A 73 -10.944 18.107 40.870 1.00 41.39 O HETATM 2216 O HOH A 74 -30.337 13.872 37.495 1.00 31.37 O HETATM 2217 O HOH A 75 -3.019 -14.191 51.120 1.00 29.86 O HETATM 2218 O HOH A 76 -29.097 10.029 45.609 1.00 35.89 O HETATM 2219 O HOH A 77 2.565 -1.607 19.628 1.00 41.02 O HETATM 2220 O HOH A 78 -30.111 11.470 47.451 1.00 36.39 O HETATM 2221 O HOH A 79 13.781 -1.730 38.686 1.00 34.36 O HETATM 2222 O HOH A 80 -7.061 3.854 49.737 1.00 26.70 O HETATM 2223 O HOH A 81 9.063 -6.935 28.373 1.00 32.46 O HETATM 2224 O HOH A 82 -5.704 21.441 42.250 1.00 34.33 O HETATM 2225 O HOH A 83 12.636 7.814 39.273 1.00 32.13 O HETATM 2226 O HOH A 84 -8.363 17.320 41.284 1.00 30.87 O HETATM 2227 O HOH A 85 -23.562 -5.363 53.831 1.00 35.71 O HETATM 2228 O HOH A 86 -7.171 12.484 65.765 1.00 35.61 O HETATM 2229 O HOH A 87 2.330 -14.434 42.915 1.00 34.99 O HETATM 2230 O HOH A 88 -5.575 3.828 55.774 1.00 30.22 O HETATM 2231 O HOH A 89 -6.847 -6.510 50.366 1.00 36.22 O HETATM 2232 O HOH A 90 3.900 14.985 62.650 1.00 42.70 O HETATM 2233 O HOH A 91 -15.446 -0.766 39.163 1.00 34.18 O HETATM 2234 O HOH A 92 11.396 9.020 20.515 1.00 40.35 O HETATM 2235 O HOH A 93 -17.598 -5.693 56.763 1.00 43.63 O HETATM 2236 O HOH A 94 10.949 10.754 31.152 1.00 33.52 O HETATM 2237 O HOH A 95 2.027 1.747 62.554 1.00 35.73 O HETATM 2238 O HOH A 96 -6.349 14.168 40.063 1.00 30.56 O HETATM 2239 O HOH A 98 14.605 5.553 41.850 1.00 31.77 O HETATM 2240 O HOH A 99 -4.493 -8.341 30.021 1.00 32.74 O HETATM 2241 O HOH A 100 6.056 11.310 16.306 1.00 37.09 O HETATM 2242 O HOH A 101 -1.873 3.667 21.512 1.00 31.77 O HETATM 2243 O HOH A 102 -13.980 -5.237 28.228 1.00 34.69 O HETATM 2244 O HOH A 103 5.167 0.991 58.078 1.00 35.40 O HETATM 2245 O HOH A 104 -23.793 15.981 48.367 1.00 40.36 O HETATM 2246 O HOH A 105 10.107 3.318 35.922 1.00 27.12 O HETATM 2247 O HOH A 106 -2.463 -10.643 31.546 1.00 44.65 O HETATM 2248 O HOH A 107 -12.887 0.733 27.392 1.00 49.47 O HETATM 2249 O HOH A 108 3.703 17.970 38.564 1.00 47.37 O HETATM 2250 O HOH A 109 -11.182 4.126 69.301 1.00 37.18 O HETATM 2251 O HOH A 110 -7.710 -4.562 59.493 1.00 45.70 O HETATM 2252 O HOH A 111 -21.387 2.157 43.285 1.00 45.35 O HETATM 2253 O HOH A 112 -15.978 16.704 61.611 1.00 43.15 O HETATM 2254 O HOH A 113 12.717 8.682 43.489 1.00 40.57 O HETATM 2255 O HOH A 114 -18.773 9.942 62.227 1.00 38.43 O HETATM 2256 O HOH A 115 14.777 0.373 42.431 1.00 45.45 O HETATM 2257 O HOH A 116 -10.794 -8.158 47.135 1.00 38.36 O HETATM 2258 O HOH A 117 0.459 20.664 42.878 1.00 45.27 O HETATM 2259 O HOH A 118 -4.398 15.842 35.197 1.00 32.04 O HETATM 2260 O HOH A 119 -4.834 17.228 32.983 1.00 33.62 O HETATM 2261 O HOH A 120 -8.380 15.817 39.109 1.00 25.42 O HETATM 2262 O HOH A 121 -12.433 21.214 43.590 1.00 34.91 O HETATM 2263 O HOH A 122 -14.385 22.261 41.240 1.00 34.77 O HETATM 2264 O HOH A 123 5.975 2.824 24.512 1.00 36.84 O HETATM 2265 O HOH A 124 10.965 3.059 28.181 1.00 39.63 O HETATM 2266 O HOH A 125 11.076 7.380 27.207 1.00 28.78 O HETATM 2267 O HOH A 126 9.348 11.120 42.304 1.00 34.60 O HETATM 2268 O HOH A 127 10.417 10.549 40.061 1.00 39.45 O HETATM 2269 O HOH A 128 12.695 9.558 41.106 1.00 36.27 O HETATM 2270 O HOH A 129 6.491 15.022 29.890 1.00 32.99 O HETATM 2271 O HOH A 130 1.779 14.050 25.419 1.00 34.20 O HETATM 2272 O HOH A 131 5.751 8.546 15.877 1.00 41.82 O HETATM 2273 O HOH A 132 6.763 15.235 38.631 1.00 40.33 O HETATM 2274 O HOH A 133 1.750 19.901 57.360 1.00 42.81 O HETATM 2275 O HOH A 134 -1.132 21.082 57.646 1.00 30.28 O HETATM 2276 O HOH A 135 1.051 -0.362 61.065 1.00 35.81 O HETATM 2277 O HOH A 136 -7.121 1.286 49.005 1.00 25.05 O HETATM 2278 O HOH A 137 0.868 15.920 27.102 1.00 28.33 O HETATM 2279 O HOH A 138 -6.323 13.046 25.785 1.00 46.16 O HETATM 2280 O HOH A 139 -4.073 14.321 26.803 1.00 37.24 O HETATM 2281 O HOH A 140 -23.147 13.253 35.248 1.00 35.69 O HETATM 2282 O HOH A 141 -27.227 12.882 42.388 1.00 35.11 O HETATM 2283 O HOH A 142 -21.730 15.059 36.974 1.00 32.04 O HETATM 2284 O HOH A 143 1.343 7.369 71.504 1.00 49.60 O HETATM 2285 O HOH A 144 -26.956 9.327 56.281 1.00 40.36 O HETATM 2286 O HOH A 145 -5.704 -4.426 48.750 1.00 27.17 O HETATM 2287 O HOH A 146 -4.778 -11.293 45.207 1.00 36.81 O HETATM 2288 O HOH A 148 6.974 16.526 34.345 1.00 38.12 O HETATM 2289 O HOH A 149 -20.939 -1.763 44.429 1.00 45.42 O HETATM 2290 O HOH A 150 -15.498 18.064 32.978 1.00 35.42 O HETATM 2291 O HOH A 151 -18.978 21.294 54.748 1.00 40.81 O HETATM 2292 O HOH A 152 1.139 19.389 45.242 1.00 41.16 O HETATM 2293 O HOH A 153 -1.431 11.879 25.646 1.00 37.26 O HETATM 2294 O HOH A 154 -4.358 7.504 23.949 1.00 42.08 O HETATM 2295 O HOH A 155 5.561 -5.822 24.181 1.00 38.01 O HETATM 2296 O HOH A 156 -17.281 -3.483 46.431 1.00 33.47 O HETATM 2297 O HOH A 157 -16.993 25.628 58.589 1.00 36.93 O HETATM 2298 O HOH A 158 -2.905 11.551 43.128 1.00 40.55 O HETATM 2299 O HOH A 159 -4.691 3.416 70.881 1.00 34.94 O HETATM 2300 O HOH A 160 -30.167 10.511 57.005 1.00 46.15 O HETATM 2301 O HOH A 161 -12.023 18.568 38.538 1.00 43.09 O HETATM 2302 O HOH A 162 -14.295 -2.504 27.692 1.00 46.10 O HETATM 2303 O HOH B 116 11.368 5.126 50.659 1.00 39.12 O HETATM 2304 O HOH B 117 13.327 12.288 50.177 1.00 39.44 O CONECT 2122 2123 2132 CONECT 2123 2122 2124 CONECT 2124 2123 2125 2126 CONECT 2125 2124 CONECT 2126 2124 2127 CONECT 2127 2126 2128 2132 CONECT 2128 2127 2129 CONECT 2129 2128 2130 CONECT 2130 2129 2131 2136 CONECT 2131 2130 2132 2133 CONECT 2132 2122 2127 2131 2142 CONECT 2133 2131 2134 CONECT 2134 2133 2135 CONECT 2135 2134 2136 2139 2141 CONECT 2136 2130 2135 2137 CONECT 2137 2136 2138 CONECT 2138 2137 2139 CONECT 2139 2135 2138 2140 CONECT 2140 2139 CONECT 2141 2135 CONECT 2142 2132 END