USER MOD reduce.3.24.130724 H: found=0, std=0, add=2127, rem=0, adj=61 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HORMONE/GROWTH FACTOR RECEPTOR 10-MAY-04 1T7T TITLE CRYSTAL STRUCTURE OF THE ANDROGEN RECEPTOR LIGAND BINDING TITLE 2 DOMAIN IN COMPLEX WITH 5-ALPHA DIHYDROTESTOSTERONE 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 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 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 1T7T 1 VERSN REVDAT 2 28-SEP-04 1T7T 1 JRNL REVDAT 1 31-AUG-04 1T7T 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. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1147551.630 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 99.5 REMARK 3 NUMBER OF REFLECTIONS : 28564 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) : 0.181 REMARK 3 FREE R VALUE : 0.204 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900 REMARK 3 FREE R VALUE TEST SET COUNT : 1388 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) : 1.70 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.81 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 96.20 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 4293 REMARK 3 BIN R VALUE (WORKING SET) : 0.2370 REMARK 3 BIN FREE R VALUE : 0.2760 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.30 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 239 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 : 2055 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 21 REMARK 3 SOLVENT ATOMS : 209 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 20.20 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.20 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 8.72000 REMARK 3 B22 (A**2) : -4.47000 REMARK 3 B33 (A**2) : -4.25000 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) : 0.18 REMARK 3 ESD FROM SIGMAA (A) : 0.13 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) : 0.20 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.16 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) : 18.96 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.79 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) : 1.120 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.700 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.210 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.260 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.39 REMARK 3 BSOL : 54.05 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 1T7T 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 RCSB022419. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 31-MAY-03 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ALS REMARK 200 BEAMLINE : 8.3.1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 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 : 28639 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.06100 REMARK 200 FOR THE DATA SET : 28.5000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.73 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.2 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.45700 REMARK 200 FOR SHELL : 3.200 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 (%): 40.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.00 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: SODIUM CITRATE, HEPES, LITHIUM REMARK 280 SULFATE, GLYCEROL, TCEP, N-OCTYL GLUCOSIDE, 5-ALPHA REMARK 280 DIHYDROTESTOSTERONE, PH 7.5, 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 28.10200 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 34.26900 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 33.10650 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 34.26900 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 28.10200 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 33.10650 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: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 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 77.84 -150.33 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 159 DISTANCE = 5.65 ANGSTROMS REMARK 525 HOH A 185 DISTANCE = 5.86 ANGSTROMS REMARK 525 HOH A 186 DISTANCE = 7.01 ANGSTROMS REMARK 525 HOH A 209 DISTANCE = 5.47 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DHT A 300 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 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: 1T7F RELATED DB: PDB REMARK 900 RELATED ID: 1T7M RELATED DB: PDB REMARK 900 RELATED ID: 1T7R RELATED DB: PDB DBREF 1T7T A 662 919 UNP O97775 ANDR_PANTR 654 911 SEQADV 1T7T GLY A 651 UNP O97775 CLONING ARTIFACT SEQADV 1T7T SER A 652 UNP O97775 CLONING ARTIFACT SEQADV 1T7T PRO A 653 UNP O97775 CLONING ARTIFACT SEQADV 1T7T GLY A 654 UNP O97775 CLONING ARTIFACT SEQADV 1T7T ILE A 655 UNP O97775 CLONING ARTIFACT SEQADV 1T7T SER A 656 UNP O97775 CLONING ARTIFACT SEQADV 1T7T GLY A 657 UNP O97775 CLONING ARTIFACT SEQADV 1T7T GLY A 658 UNP O97775 CLONING ARTIFACT SEQADV 1T7T GLY A 659 UNP O97775 CLONING ARTIFACT SEQADV 1T7T GLY A 660 UNP O97775 CLONING ARTIFACT SEQADV 1T7T 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 HET DHT A 300 21 HETNAM DHT 5-ALPHA-DIHYDROTESTOSTERONE FORMUL 2 DHT C19 H30 O2 FORMUL 3 HOH *209(H2 O) HELIX 1 1 PRO A 671 GLU A 681 1 11 HELIX 2 2 SER A 696 ALA A 721 1 26 HELIX 3 3 GLY A 724 LEU A 728 5 5 HELIX 4 4 HIS A 729 ASN A 758 1 30 HELIX 5 5 ASN A 771 SER A 778 1 8 HELIX 6 6 MET A 780 LEU A 797 1 18 HELIX 7 7 THR A 800 PHE A 813 1 14 HELIX 8 8 ASN A 823 CYS A 844 1 22 HELIX 9 9 ASN A 848 LYS A 883 1 36 HELIX 10 10 LYS A 883 SER A 888 1 6 HELIX 11 11 PRO A 892 GLN A 902 1 11 HELIX 12 12 GLN A 902 SER A 908 1 7 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 56.204 66.213 68.538 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 0.017792 0.000000 0.000000 0.00000 SCALE2 0.000000 0.015103 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014590 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 102:sc= 1.06 USER MOD Set 1.2: A 917 HIS : no HE2:sc= 2.14 K(o=3.2,f=-5.7!) USER MOD Set 2.1: A 738 GLN : amide:sc= 0.7 K(o=2.1,f=-6.4!) USER MOD Set 2.2: A 902 GLN : amide:sc= 0.546 K(o=2.1,f=-4.9!) USER MOD Set 2.3: A 905 LYS NZ :NH3+ -134:sc= 0.873 (180deg=-0.212) USER MOD Set 3.1: A 885 HIS : no HD1:sc= -3.37! C(o=-4.3!,f=-4.9!) USER MOD Set 3.2: A 886 MET CE :methyl -136:sc= -0.891 (180deg=-0.55) USER MOD Set 4.1: A 814 SER OG A: rot -71:sc= 1.05 USER MOD Set 4.2: A 867 GLN : amide:sc= 2.31 K(o=3.4,f=1.9) USER MOD Set 5.1: A 782 SER OG : rot -12:sc= 1.04 USER MOD Set 5.2: A 783 GLN : amide:sc= 1.21 K(o=2.3,f=-5.7!) USER MOD Set 6.1: A 780 MET CE A:methyl 179:sc= -0.0062 (180deg=-0.00134) USER MOD Set 6.2: A 784 CYS SG : rot 180:sc= 0 USER MOD Set 6.3: A 787 MET CE :methyl -164:sc= -0.0291 (180deg=-0.478) USER MOD Set 7.1: A 759 SER OG : rot -75:sc= 2.21 USER MOD Set 7.2: A 791 SER OG : rot 68:sc= 1.33 USER MOD Set 8.1: A 755 THR OG1 : rot -75:sc= 0.85 USER MOD Set 8.2: A 756 ASN : amide:sc= -1.83! K(o=-0.98!,f=1.5) USER MOD Set 9.1: A 742 MET CE :methyl 171:sc= -0.0125 (180deg=-0.0502) USER MOD Set 9.2: A 874 HIS : no HD1:sc= 1.98 K(o=2,f=-3.2!) USER MOD Set10.1: A 720 LYS NZ :NH3+ -160:sc= -0.0933 (180deg=-0.406) USER MOD Set10.2: A 733 GLN : amide:sc= 0.382 K(o=0.29,f=-0.31) USER MOD Set11.1: A 689 HIS : no HD1:sc= 1.54 K(o=6.8,f=-2.3!) USER MOD Set11.2: A 691 ASN : amide:sc= 2.69 K(o=6.8,f=0.14!) USER MOD Set11.3: A 703 SER OG : rot 148:sc= 2.58 USER MOD Set12.1: A 300 DHT O17 : rot -75:sc= 1.92 USER MOD Set12.2: A 705 ASN : amide:sc= 1.28 K(o=4,f=0.95) USER MOD Set12.3: A 877 THR OG1 : rot 89:sc= 0.798 USER MOD Single : A 669 CYS SG : rot 180:sc= 0 USER MOD Single : A 670 GLN : amide:sc= 1.04 K(o=1,f=-0.22) USER MOD Single : A 675 ASN : amide:sc= 0.329 K(o=0.33,f=-0.76!) USER MOD Single : A 686 CYS SG : rot 180:sc= -0.0552 USER MOD Single : A 692 ASN : amide:sc= 1.04 K(o=1,f=0.44) USER MOD Single : A 693 GLN : amide:sc= 0.821 X(o=0.82,f=0.45) USER MOD Single : A 696 SER OG : rot 131:sc= 0.181 USER MOD Single : A 702 SER OG : rot 86:sc= 0.896 USER MOD Single : A 711 GLN A: amide:sc= -1.09! K(o=-1.1!,f=0.61) USER MOD Single : A 711 GLN B: amide:sc= -1.56! K(o=-1.6!,f=0.61) USER MOD Single : A 714 HIS : no HE2:sc= 0.198 X(o=0.2,f=0.3) USER MOD Single : A 717 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 727 ASN : amide:sc= -0.0157 K(o=-0.016,f=-0.96) USER MOD Single : A 729 HIS : no HD1:sc= 0.211 K(o=0.21,f=-6.7!) USER MOD Single : A 734 MET CE :methyl -158:sc=-0.00856 (180deg=-0.114) USER MOD Single : A 739 TYR OH : rot 30:sc= 1.09 USER MOD Single : A 740 SER OG A: rot -71:sc= 0.824 USER MOD Single : A 740 SER OG B: rot 84:sc= -1.65 USER MOD Single : A 745 MET CE :methyl -168:sc= -0.0598 (180deg=-0.141) USER MOD Single : A 749 MET CE :methyl -145:sc= -0.0512 (180deg=-0.981) USER MOD Single : A 753 SER OG : rot 74:sc= 1.4 USER MOD Single : A 758 ASN : amide:sc= 0.626 K(o=0.63,f=-1) USER MOD Single : A 761 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 761 MET CE B:methyl -134:sc= -0.0102 (180deg=-1.81!) USER MOD Single : A 763 TYR OH : rot -165:sc= 1.91 USER MOD Single : A 771 ASN : amide:sc= -0.066 K(o=-0.066,f=-5!) USER MOD Single : A 773 TYR OH : rot 180:sc= 0 USER MOD Single : A 775 MET CE :methyl -124:sc= -0.0161 (180deg=-1.15) USER MOD Single : A 776 HIS : no HE2:sc= -0.994 K(o=-0.99,f=0.48) USER MOD Single : A 777 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 778 SER OG : rot -55:sc= 1.24 USER MOD Single : A 780 MET CE B:methyl 166:sc= -0.228 (180deg=-0.441) USER MOD Single : A 781 TYR OH : rot 163:sc= 1.14 USER MOD Single : A 789 HIS : no HD1:sc= -0.0464 X(o=-0.046,f=0.4) USER MOD Single : A 792 GLN : amide:sc= 0.0144 X(o=0.014,f=-0.4) USER MOD Single : A 798 GLN : amide:sc= -0.18 K(o=-0.18,f=2) USER MOD Single : A 800 THR OG1 : rot -175:sc= 0.561 USER MOD Single : A 802 GLN : amide:sc= -0.235 K(o=-0.23,f=-2.2) USER MOD Single : A 806 CYS SG : rot 170:sc= 0 USER MOD Single : A 807 MET CE :methyl 150:sc= -0.938 (180deg=-2.08!) USER MOD Single : A 808 LYS NZ :NH3+ 157:sc= 2.14 (180deg=1.56) USER MOD Single : A 814 SER OG B: rot 66:sc= 2.61 USER MOD Single : A 822 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 823 ASN : amide:sc= -2.61 K(o=-2.6,f=-4.3) USER MOD Single : A 824 GLN : amide:sc= 0.597 K(o=0.6,f=-2.7!) USER MOD Single : A 825 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 832 MET CE :methyl 170:sc= -0.0213 (180deg=-0.21) USER MOD Single : A 833 ASN : amide:sc= -1.88! X(o=-1.9!,f=-1.5) USER MOD Single : A 834 TYR OH : rot -11:sc= 0.476 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+ -169:sc= -0.045 (180deg=-0.221) USER MOD Single : A 848 ASN : amide:sc= -0.942! C(o=-0.94!,f=-9.3!) USER MOD Single : A 850 THR OG1 : rot 180:sc= 0 USER MOD Single : A 851 SER OG : rot -20:sc= 1.16 USER MOD Single : A 852 CYS SG : rot 180:sc= -0.0061 USER MOD Single : A 853 SER OG : rot -13:sc= 0.273 USER MOD Single : A 857 TYR OH : rot 180:sc= -0.267 USER MOD Single : A 858 GLN : amide:sc= -1.86! K(o=-1.9!,f=-2.7) USER MOD Single : A 861 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 865 SER OG : rot -44:sc= 2.33 USER MOD Single : A 875 GLN : amide:sc= 1.14 K(o=1.1,f=1.8) USER MOD Single : A 883 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 884 SER OG : rot -84:sc= 0.686 USER MOD Single : A 888 SER OG : rot 180:sc= 0 USER MOD Single : A 894 MET CE :methyl -170:sc= -0.0267 (180deg=-0.212) USER MOD Single : A 895 MET CE :methyl -166:sc= -0.411 (180deg=-0.423) USER MOD Single : A 900 SER OG : rot -86:sc= 0.657 USER MOD Single : A 908 SER OG : rot -79:sc= 0.513 USER MOD Single : A 910 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 912 LYS NZ :NH3+ 137:sc= 0.0916 (180deg=-0.0482) USER MOD Single : A 915 TYR OH : rot 180:sc= 0 USER MOD Single : A 918 THR OG1 : rot -60:sc= 0.0687 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 669 -21.432 31.400 56.114 1.00 46.71 N ATOM 2 CA CYS A 669 -20.526 30.372 56.701 1.00 46.43 C ATOM 3 C CYS A 669 -19.656 29.750 55.612 1.00 44.31 C ATOM 4 O CYS A 669 -20.146 29.002 54.766 1.00 44.57 O ATOM 5 CB CYS A 669 -21.350 29.282 57.391 1.00 48.16 C ATOM 6 SG CYS A 669 -20.367 27.979 58.171 1.00 53.82 S ATOM 0 HA CYS A 669 -19.952 30.800 57.355 1.00 46.43 H new ATOM 0 HB2 CYS A 669 -21.912 29.695 58.065 1.00 48.16 H new ATOM 0 HB3 CYS A 669 -21.942 28.878 56.738 1.00 48.16 H new ATOM 0 HG CYS A 669 -21.099 27.178 58.683 1.00 53.82 H new ATOM 7 N GLN A 670 -18.365 30.064 55.635 1.00 41.94 N ATOM 8 CA GLN A 670 -17.441 29.532 54.640 1.00 39.22 C ATOM 9 C GLN A 670 -17.085 28.069 54.903 1.00 35.04 C ATOM 10 O GLN A 670 -16.825 27.673 56.040 1.00 34.18 O ATOM 11 CB GLN A 670 -16.177 30.398 54.577 1.00 41.26 C ATOM 12 CG GLN A 670 -15.514 30.687 55.913 1.00 43.78 C ATOM 13 CD GLN A 670 -14.411 31.730 55.794 1.00 46.11 C ATOM 14 OE1 GLN A 670 -13.474 31.571 55.011 1.00 47.16 O ATOM 15 NE2 GLN A 670 -14.520 32.805 56.570 1.00 45.58 N ATOM 0 H GLN A 670 -18.004 30.583 56.218 1.00 41.94 H new ATOM 0 HA GLN A 670 -17.889 29.561 53.780 1.00 39.22 H new ATOM 0 HB2 GLN A 670 -15.531 29.959 54.002 1.00 41.26 H new ATOM 0 HB3 GLN A 670 -16.403 31.242 54.157 1.00 41.26 H new ATOM 0 HG2 GLN A 670 -16.183 30.996 56.544 1.00 43.78 H new ATOM 0 HG3 GLN A 670 -15.143 29.866 56.273 1.00 43.78 H new ATOM 0 HE21 GLN A 670 -15.188 32.883 57.105 1.00 45.58 H new ATOM 0 HE22 GLN A 670 -13.922 33.422 56.536 1.00 45.58 H new ATOM 16 N PRO A 671 -17.079 27.246 53.842 1.00 31.54 N ATOM 17 CA PRO A 671 -16.767 25.815 53.907 1.00 28.45 C ATOM 18 C PRO A 671 -15.280 25.562 54.130 1.00 24.66 C ATOM 19 O PRO A 671 -14.551 25.221 53.199 1.00 22.76 O ATOM 20 CB PRO A 671 -17.243 25.310 52.552 1.00 29.47 C ATOM 21 CG PRO A 671 -16.872 26.441 51.659 1.00 29.96 C ATOM 22 CD PRO A 671 -17.315 27.662 52.447 1.00 31.71 C ATOM 0 HA PRO A 671 -17.192 25.363 54.652 1.00 28.45 H new ATOM 0 HB2 PRO A 671 -16.803 24.485 52.296 1.00 29.47 H new ATOM 0 HB3 PRO A 671 -18.197 25.137 52.543 1.00 29.47 H new ATOM 0 HG2 PRO A 671 -15.919 26.457 51.478 1.00 29.96 H new ATOM 0 HG3 PRO A 671 -17.323 26.384 50.802 1.00 29.96 H new ATOM 0 HD2 PRO A 671 -16.799 28.449 52.213 1.00 31.71 H new ATOM 0 HD3 PRO A 671 -18.247 27.876 52.287 1.00 31.71 H new ATOM 23 N ILE A 672 -14.841 25.725 55.373 1.00 22.20 N ATOM 24 CA ILE A 672 -13.437 25.538 55.726 1.00 19.91 C ATOM 25 C ILE A 672 -12.854 24.210 55.240 1.00 18.29 C ATOM 26 O ILE A 672 -11.827 24.190 54.567 1.00 17.18 O ATOM 27 CB ILE A 672 -13.240 25.644 57.259 1.00 21.14 C ATOM 28 CG1 ILE A 672 -13.702 27.021 57.751 1.00 22.24 C ATOM 29 CG2 ILE A 672 -11.778 25.419 57.620 1.00 20.58 C ATOM 30 CD1 ILE A 672 -12.955 28.190 57.132 1.00 22.65 C ATOM 0 H ILE A 672 -15.345 25.946 56.034 1.00 22.20 H new ATOM 0 HA ILE A 672 -12.957 26.248 55.271 1.00 19.91 H new ATOM 0 HB ILE A 672 -13.774 24.960 57.692 1.00 21.14 H new ATOM 0 HG12 ILE A 672 -14.648 27.119 57.562 1.00 22.24 H new ATOM 0 HG13 ILE A 672 -13.600 27.059 58.715 1.00 22.24 H new ATOM 0 HG21 ILE A 672 -11.668 25.488 58.581 1.00 20.58 H new ATOM 0 HG22 ILE A 672 -11.504 24.536 57.326 1.00 20.58 H new ATOM 0 HG23 ILE A 672 -11.230 26.089 57.183 1.00 20.58 H new ATOM 0 HD11 ILE A 672 -13.302 29.022 57.491 1.00 22.65 H new ATOM 0 HD12 ILE A 672 -12.010 28.117 57.340 1.00 22.65 H new ATOM 0 HD13 ILE A 672 -13.075 28.178 56.170 1.00 22.65 H new ATOM 31 N PHE A 673 -13.509 23.105 55.580 1.00 17.93 N ATOM 32 CA PHE A 673 -13.026 21.785 55.182 1.00 17.67 C ATOM 33 C PHE A 673 -12.807 21.660 53.673 1.00 17.14 C ATOM 34 O PHE A 673 -11.727 21.274 53.225 1.00 15.54 O ATOM 35 CB PHE A 673 -14.006 20.706 55.651 1.00 17.18 C ATOM 36 CG PHE A 673 -13.591 19.307 55.282 1.00 17.95 C ATOM 37 CD1 PHE A 673 -12.494 18.708 55.895 1.00 19.55 C ATOM 38 CD2 PHE A 673 -14.292 18.593 54.314 1.00 18.34 C ATOM 39 CE1 PHE A 673 -12.100 17.412 55.550 1.00 18.14 C ATOM 40 CE2 PHE A 673 -13.908 17.301 53.961 1.00 18.90 C ATOM 41 CZ PHE A 673 -12.809 16.710 54.582 1.00 19.84 C ATOM 0 H PHE A 673 -14.235 23.097 56.041 1.00 17.93 H new ATOM 0 HA PHE A 673 -12.163 21.663 55.607 1.00 17.67 H new ATOM 0 HB2 PHE A 673 -14.100 20.763 56.615 1.00 17.18 H new ATOM 0 HB3 PHE A 673 -14.880 20.886 55.270 1.00 17.18 H new ATOM 0 HD1 PHE A 673 -12.017 19.176 56.542 1.00 19.55 H new ATOM 0 HD2 PHE A 673 -15.026 18.984 53.898 1.00 18.34 H new ATOM 0 HE1 PHE A 673 -11.366 17.021 55.967 1.00 18.14 H new ATOM 0 HE2 PHE A 673 -14.384 16.834 53.313 1.00 18.90 H new ATOM 0 HZ PHE A 673 -12.550 15.848 54.349 1.00 19.84 H new ATOM 42 N LEU A 674 -13.832 21.979 52.887 1.00 16.52 N ATOM 43 CA LEU A 674 -13.715 21.890 51.436 1.00 17.74 C ATOM 44 C LEU A 674 -12.711 22.884 50.875 1.00 16.76 C ATOM 45 O LEU A 674 -12.046 22.596 49.878 1.00 17.36 O ATOM 46 CB LEU A 674 -15.082 22.085 50.774 1.00 17.44 C ATOM 47 CG LEU A 674 -15.969 20.838 50.812 1.00 20.32 C ATOM 48 CD1 LEU A 674 -17.350 21.160 50.258 1.00 21.04 C ATOM 49 CD2 LEU A 674 -15.314 19.731 49.996 1.00 20.56 C ATOM 0 H LEU A 674 -14.598 22.247 53.172 1.00 16.52 H new ATOM 0 HA LEU A 674 -13.385 21.001 51.232 1.00 17.74 H new ATOM 0 HB2 LEU A 674 -15.545 22.815 51.215 1.00 17.44 H new ATOM 0 HB3 LEU A 674 -14.950 22.350 49.850 1.00 17.44 H new ATOM 0 HG LEU A 674 -16.071 20.541 51.730 1.00 20.32 H new ATOM 0 HD11 LEU A 674 -17.904 20.364 50.286 1.00 21.04 H new ATOM 0 HD12 LEU A 674 -17.759 21.857 50.794 1.00 21.04 H new ATOM 0 HD13 LEU A 674 -17.268 21.464 49.340 1.00 21.04 H new ATOM 0 HD21 LEU A 674 -15.873 18.939 50.018 1.00 20.56 H new ATOM 0 HD22 LEU A 674 -15.207 20.026 49.078 1.00 20.56 H new ATOM 0 HD23 LEU A 674 -14.444 19.523 50.372 1.00 20.56 H new ATOM 50 N ASN A 675 -12.604 24.053 51.506 1.00 16.22 N ATOM 51 CA ASN A 675 -11.640 25.056 51.063 1.00 15.11 C ATOM 52 C ASN A 675 -10.259 24.417 51.095 1.00 14.81 C ATOM 53 O ASN A 675 -9.474 24.557 50.161 1.00 14.63 O ATOM 54 CB ASN A 675 -11.619 26.275 51.997 1.00 17.56 C ATOM 55 CG ASN A 675 -12.743 27.255 51.725 1.00 20.14 C ATOM 56 OD1 ASN A 675 -13.456 27.148 50.726 1.00 19.16 O ATOM 57 ND2 ASN A 675 -12.893 28.236 52.615 1.00 21.24 N ATOM 0 H ASN A 675 -13.077 24.282 52.187 1.00 16.22 H new ATOM 0 HA ASN A 675 -11.889 25.354 50.174 1.00 15.11 H new ATOM 0 HB2 ASN A 675 -11.678 25.972 52.916 1.00 17.56 H new ATOM 0 HB3 ASN A 675 -10.769 26.733 51.903 1.00 17.56 H new ATOM 0 HD21 ASN A 675 -13.507 28.827 52.504 1.00 21.24 H new ATOM 0 HD22 ASN A 675 -12.375 28.277 53.301 1.00 21.24 H new ATOM 58 N VAL A 676 -9.970 23.717 52.188 1.00 14.37 N ATOM 59 CA VAL A 676 -8.672 23.070 52.355 1.00 14.38 C ATOM 60 C VAL A 676 -8.452 21.961 51.334 1.00 13.73 C ATOM 61 O VAL A 676 -7.397 21.891 50.707 1.00 13.15 O ATOM 62 CB VAL A 676 -8.517 22.485 53.777 1.00 14.21 C ATOM 63 CG1 VAL A 676 -7.181 21.754 53.903 1.00 14.39 C ATOM 64 CG2 VAL A 676 -8.595 23.605 54.808 1.00 13.08 C ATOM 0 H VAL A 676 -10.513 23.604 52.846 1.00 14.37 H new ATOM 0 HA VAL A 676 -8.003 23.758 52.214 1.00 14.38 H new ATOM 0 HB VAL A 676 -9.236 21.854 53.937 1.00 14.21 H new ATOM 0 HG11 VAL A 676 -7.094 21.391 54.798 1.00 14.39 H new ATOM 0 HG12 VAL A 676 -7.145 21.032 53.257 1.00 14.39 H new ATOM 0 HG13 VAL A 676 -6.455 22.375 53.734 1.00 14.39 H new ATOM 0 HG21 VAL A 676 -8.497 23.233 55.698 1.00 13.08 H new ATOM 0 HG22 VAL A 676 -7.884 24.245 54.646 1.00 13.08 H new ATOM 0 HG23 VAL A 676 -9.453 24.051 54.737 1.00 13.08 H new ATOM 65 N LEU A 677 -9.440 21.087 51.164 1.00 13.58 N ATOM 66 CA LEU A 677 -9.286 20.000 50.204 1.00 13.28 C ATOM 67 C LEU A 677 -9.006 20.524 48.802 1.00 14.05 C ATOM 68 O LEU A 677 -8.165 19.977 48.087 1.00 14.42 O ATOM 69 CB LEU A 677 -10.532 19.109 50.180 1.00 13.58 C ATOM 70 CG LEU A 677 -10.853 18.337 51.462 1.00 15.56 C ATOM 71 CD1 LEU A 677 -11.894 17.273 51.146 1.00 17.02 C ATOM 72 CD2 LEU A 677 -9.598 17.680 52.020 1.00 15.89 C ATOM 0 H LEU A 677 -10.190 21.104 51.584 1.00 13.58 H new ATOM 0 HA LEU A 677 -8.524 19.474 50.492 1.00 13.28 H new ATOM 0 HB2 LEU A 677 -11.297 19.665 49.962 1.00 13.58 H new ATOM 0 HB3 LEU A 677 -10.432 18.469 49.458 1.00 13.58 H new ATOM 0 HG LEU A 677 -11.197 18.952 52.129 1.00 15.56 H new ATOM 0 HD11 LEU A 677 -12.105 16.777 51.952 1.00 17.02 H new ATOM 0 HD12 LEU A 677 -12.698 17.697 50.808 1.00 17.02 H new ATOM 0 HD13 LEU A 677 -11.543 16.666 50.476 1.00 17.02 H new ATOM 0 HD21 LEU A 677 -9.819 17.196 52.831 1.00 15.89 H new ATOM 0 HD22 LEU A 677 -9.236 17.063 51.364 1.00 15.89 H new ATOM 0 HD23 LEU A 677 -8.938 18.362 52.221 1.00 15.89 H new ATOM 73 N GLU A 678 -9.701 21.582 48.403 1.00 14.07 N ATOM 74 CA GLU A 678 -9.484 22.137 47.075 1.00 16.47 C ATOM 75 C GLU A 678 -8.094 22.751 46.974 1.00 16.01 C ATOM 76 O GLU A 678 -7.409 22.589 45.968 1.00 16.23 O ATOM 77 CB GLU A 678 -10.536 23.203 46.741 1.00 20.31 C ATOM 78 CG GLU A 678 -10.313 23.854 45.374 1.00 28.18 C ATOM 79 CD GLU A 678 -11.412 24.830 44.981 1.00 33.93 C ATOM 80 OE1 GLU A 678 -11.337 25.392 43.866 1.00 36.50 O ATOM 81 OE2 GLU A 678 -12.351 25.037 45.781 1.00 38.79 O ATOM 0 H GLU A 678 -10.293 21.987 48.877 1.00 14.07 H new ATOM 0 HA GLU A 678 -9.563 21.410 46.438 1.00 16.47 H new ATOM 0 HB2 GLU A 678 -11.417 22.798 46.761 1.00 20.31 H new ATOM 0 HB3 GLU A 678 -10.523 23.889 47.427 1.00 20.31 H new ATOM 0 HG2 GLU A 678 -9.463 24.321 45.381 1.00 28.18 H new ATOM 0 HG3 GLU A 678 -10.250 23.160 44.699 1.00 28.18 H new ATOM 82 N ALA A 679 -7.679 23.444 48.030 1.00 15.95 N ATOM 83 CA ALA A 679 -6.382 24.106 48.054 1.00 17.13 C ATOM 84 C ALA A 679 -5.181 23.168 47.970 1.00 17.34 C ATOM 85 O ALA A 679 -4.172 23.512 47.353 1.00 18.19 O ATOM 86 CB ALA A 679 -6.266 24.978 49.312 1.00 17.96 C ATOM 0 H ALA A 679 -8.140 23.543 48.749 1.00 15.95 H new ATOM 0 HA ALA A 679 -6.352 24.646 47.249 1.00 17.13 H new ATOM 0 HB1 ALA A 679 -5.401 25.417 49.323 1.00 17.96 H new ATOM 0 HB2 ALA A 679 -6.968 25.648 49.307 1.00 17.96 H new ATOM 0 HB3 ALA A 679 -6.356 24.421 50.101 1.00 17.96 H new ATOM 87 N ILE A 680 -5.283 21.989 48.580 1.00 16.01 N ATOM 88 CA ILE A 680 -4.167 21.042 48.587 1.00 15.17 C ATOM 89 C ILE A 680 -4.156 20.027 47.445 1.00 15.58 C ATOM 90 O ILE A 680 -3.221 19.237 47.326 1.00 17.02 O ATOM 91 CB ILE A 680 -4.113 20.254 49.916 1.00 15.14 C ATOM 92 CG1 ILE A 680 -5.357 19.372 50.054 1.00 14.06 C ATOM 93 CG2 ILE A 680 -4.035 21.217 51.092 1.00 16.48 C ATOM 94 CD1 ILE A 680 -5.297 18.419 51.248 1.00 13.74 C ATOM 0 H ILE A 680 -5.986 21.718 48.994 1.00 16.01 H new ATOM 0 HA ILE A 680 -3.390 21.611 48.471 1.00 15.17 H new ATOM 0 HB ILE A 680 -3.323 19.692 49.913 1.00 15.14 H new ATOM 0 HG12 ILE A 680 -6.139 19.939 50.140 1.00 14.06 H new ATOM 0 HG13 ILE A 680 -5.470 18.855 49.241 1.00 14.06 H new ATOM 0 HG21 ILE A 680 -4.002 20.714 51.921 1.00 16.48 H new ATOM 0 HG22 ILE A 680 -3.236 21.761 51.012 1.00 16.48 H new ATOM 0 HG23 ILE A 680 -4.818 21.790 51.094 1.00 16.48 H new ATOM 0 HD11 ILE A 680 -6.109 17.890 51.281 1.00 13.74 H new ATOM 0 HD12 ILE A 680 -4.532 17.830 51.154 1.00 13.74 H new ATOM 0 HD13 ILE A 680 -5.211 18.931 52.067 1.00 13.74 H new ATOM 95 N GLU A 681 -5.191 20.047 46.611 1.00 15.74 N ATOM 96 CA GLU A 681 -5.290 19.112 45.493 1.00 18.01 C ATOM 97 C GLU A 681 -4.083 19.246 44.557 1.00 18.02 C ATOM 98 O GLU A 681 -3.804 20.325 44.029 1.00 18.88 O ATOM 99 CB GLU A 681 -6.594 19.361 44.728 1.00 17.41 C ATOM 100 CG GLU A 681 -6.873 18.382 43.597 1.00 18.42 C ATOM 101 CD GLU A 681 -7.113 16.959 44.075 1.00 19.36 C ATOM 102 OE1 GLU A 681 -7.373 16.088 43.217 1.00 19.87 O ATOM 103 OE2 GLU A 681 -7.041 16.706 45.295 1.00 18.44 O ATOM 0 H GLU A 681 -5.850 20.596 46.675 1.00 15.74 H new ATOM 0 HA GLU A 681 -5.294 18.207 45.843 1.00 18.01 H new ATOM 0 HB2 GLU A 681 -7.333 19.328 45.356 1.00 17.41 H new ATOM 0 HB3 GLU A 681 -6.572 20.259 44.362 1.00 17.41 H new ATOM 0 HG2 GLU A 681 -7.650 18.685 43.101 1.00 18.42 H new ATOM 0 HG3 GLU A 681 -6.123 18.387 42.982 1.00 18.42 H new ATOM 104 N PRO A 682 -3.348 18.143 44.343 1.00 19.65 N ATOM 105 CA PRO A 682 -2.168 18.139 43.475 1.00 19.93 C ATOM 106 C PRO A 682 -2.444 18.589 42.050 1.00 20.63 C ATOM 107 O PRO A 682 -3.525 18.353 41.511 1.00 21.06 O ATOM 108 CB PRO A 682 -1.709 16.686 43.526 1.00 21.51 C ATOM 109 CG PRO A 682 -2.122 16.258 44.895 1.00 21.71 C ATOM 110 CD PRO A 682 -3.518 16.829 44.986 1.00 20.23 C ATOM 0 HA PRO A 682 -1.501 18.775 43.778 1.00 19.93 H new ATOM 0 HB2 PRO A 682 -2.133 16.150 42.838 1.00 21.51 H new ATOM 0 HB3 PRO A 682 -0.751 16.606 43.397 1.00 21.51 H new ATOM 0 HG2 PRO A 682 -2.116 15.293 44.992 1.00 21.71 H new ATOM 0 HG3 PRO A 682 -1.537 16.616 45.581 1.00 21.71 H new ATOM 0 HD2 PRO A 682 -4.168 16.278 44.522 1.00 20.23 H new ATOM 0 HD3 PRO A 682 -3.819 16.910 45.905 1.00 20.23 H new ATOM 111 N GLY A 683 -1.444 19.227 41.450 1.00 21.08 N ATOM 112 CA GLY A 683 -1.563 19.690 40.084 1.00 21.07 C ATOM 113 C GLY A 683 -1.252 18.563 39.115 1.00 20.59 C ATOM 114 O GLY A 683 -1.186 17.393 39.506 1.00 21.42 O ATOM 0 H GLY A 683 -0.688 19.400 41.822 1.00 21.08 H new ATOM 0 HA2 GLY A 683 -2.461 20.022 39.926 1.00 21.07 H new ATOM 0 HA3 GLY A 683 -0.956 20.431 39.933 1.00 21.07 H new ATOM 115 N VAL A 684 -1.051 18.920 37.852 1.00 19.52 N ATOM 116 CA VAL A 684 -0.757 17.951 36.803 1.00 18.39 C ATOM 117 C VAL A 684 0.588 17.255 36.996 1.00 17.40 C ATOM 118 O VAL A 684 1.586 17.889 37.330 1.00 17.54 O ATOM 119 CB VAL A 684 -0.748 18.633 35.413 1.00 19.39 C ATOM 120 CG1 VAL A 684 -0.463 17.602 34.325 1.00 19.39 C ATOM 121 CG2 VAL A 684 -2.078 19.327 35.163 1.00 21.70 C ATOM 0 H VAL A 684 -1.081 19.735 37.578 1.00 19.52 H new ATOM 0 HA VAL A 684 -1.460 17.285 36.856 1.00 18.39 H new ATOM 0 HB VAL A 684 -0.045 19.301 35.392 1.00 19.39 H new ATOM 0 HG11 VAL A 684 -0.459 18.038 33.459 1.00 19.39 H new ATOM 0 HG12 VAL A 684 0.402 17.194 34.485 1.00 19.39 H new ATOM 0 HG13 VAL A 684 -1.150 16.918 34.339 1.00 19.39 H new ATOM 0 HG21 VAL A 684 -2.063 19.751 34.291 1.00 21.70 H new ATOM 0 HG22 VAL A 684 -2.795 18.674 35.192 1.00 21.70 H new ATOM 0 HG23 VAL A 684 -2.226 19.999 35.846 1.00 21.70 H new ATOM 122 N VAL A 685 0.607 15.943 36.789 1.00 15.96 N ATOM 123 CA VAL A 685 1.843 15.179 36.904 1.00 15.13 C ATOM 124 C VAL A 685 2.018 14.414 35.597 1.00 14.81 C ATOM 125 O VAL A 685 1.105 13.721 35.145 1.00 14.71 O ATOM 126 CB VAL A 685 1.801 14.184 38.084 1.00 14.56 C ATOM 127 CG1 VAL A 685 3.137 13.435 38.186 1.00 15.59 C ATOM 128 CG2 VAL A 685 1.513 14.928 39.375 1.00 16.44 C ATOM 0 H VAL A 685 -0.085 15.476 36.581 1.00 15.96 H new ATOM 0 HA VAL A 685 2.583 15.784 37.071 1.00 15.13 H new ATOM 0 HB VAL A 685 1.094 13.538 37.931 1.00 14.56 H new ATOM 0 HG11 VAL A 685 3.103 12.812 38.929 1.00 15.59 H new ATOM 0 HG12 VAL A 685 3.299 12.948 37.363 1.00 15.59 H new ATOM 0 HG13 VAL A 685 3.855 14.071 38.331 1.00 15.59 H new ATOM 0 HG21 VAL A 685 1.488 14.299 40.113 1.00 16.44 H new ATOM 0 HG22 VAL A 685 2.210 15.583 39.533 1.00 16.44 H new ATOM 0 HG23 VAL A 685 0.657 15.378 39.305 1.00 16.44 H new ATOM 129 N CYS A 686 3.182 14.568 34.975 1.00 14.79 N ATOM 130 CA CYS A 686 3.459 13.894 33.714 1.00 15.02 C ATOM 131 C CYS A 686 4.268 12.626 33.960 1.00 13.00 C ATOM 132 O CYS A 686 4.986 12.523 34.955 1.00 15.00 O ATOM 133 CB CYS A 686 4.218 14.832 32.770 1.00 17.13 C ATOM 134 SG CYS A 686 3.269 16.301 32.296 1.00 20.85 S ATOM 0 H CYS A 686 3.825 15.059 35.267 1.00 14.79 H new ATOM 0 HA CYS A 686 2.617 13.649 33.300 1.00 15.02 H new ATOM 0 HB2 CYS A 686 5.042 15.112 33.198 1.00 17.13 H new ATOM 0 HB3 CYS A 686 4.465 14.343 31.970 1.00 17.13 H new ATOM 0 HG CYS A 686 3.928 16.984 31.562 1.00 20.85 H new ATOM 135 N ALA A 687 4.148 11.670 33.045 1.00 13.54 N ATOM 136 CA ALA A 687 4.846 10.391 33.159 1.00 14.77 C ATOM 137 C ALA A 687 6.233 10.381 32.526 1.00 15.27 C ATOM 138 O ALA A 687 7.080 9.569 32.903 1.00 16.84 O ATOM 139 CB ALA A 687 3.998 9.291 32.536 1.00 13.94 C ATOM 0 H ALA A 687 3.660 11.743 32.340 1.00 13.54 H new ATOM 0 HA ALA A 687 4.977 10.238 34.108 1.00 14.77 H new ATOM 0 HB1 ALA A 687 4.462 8.442 32.612 1.00 13.94 H new ATOM 0 HB2 ALA A 687 3.147 9.237 32.999 1.00 13.94 H new ATOM 0 HB3 ALA A 687 3.844 9.492 31.600 1.00 13.94 H new ATOM 140 N GLY A 688 6.458 11.273 31.563 1.00 16.06 N ATOM 141 CA GLY A 688 7.740 11.331 30.879 1.00 17.03 C ATOM 142 C GLY A 688 7.853 10.304 29.761 1.00 16.41 C ATOM 143 O GLY A 688 8.946 10.045 29.252 1.00 17.24 O ATOM 0 H GLY A 688 5.881 11.851 31.294 1.00 16.06 H new ATOM 0 HA2 GLY A 688 7.867 12.220 30.511 1.00 17.03 H new ATOM 0 HA3 GLY A 688 8.452 11.185 31.521 1.00 17.03 H new ATOM 144 N HIS A 689 6.717 9.728 29.372 1.00 15.00 N ATOM 145 CA HIS A 689 6.658 8.705 28.324 1.00 15.82 C ATOM 146 C HIS A 689 7.004 9.240 26.933 1.00 15.92 C ATOM 147 O HIS A 689 6.646 10.367 26.591 1.00 16.70 O ATOM 148 CB HIS A 689 5.250 8.095 28.280 1.00 15.23 C ATOM 149 CG HIS A 689 5.113 6.944 27.332 1.00 16.37 C ATOM 150 ND1 HIS A 689 5.732 5.730 27.541 1.00 15.85 N ATOM 151 CD2 HIS A 689 4.439 6.826 26.163 1.00 15.49 C ATOM 152 CE1 HIS A 689 5.447 4.914 26.541 1.00 17.82 C ATOM 153 NE2 HIS A 689 4.664 5.555 25.691 1.00 18.56 N ATOM 0 H HIS A 689 5.951 9.921 29.711 1.00 15.00 H new ATOM 0 HA HIS A 689 7.325 8.039 28.552 1.00 15.82 H new ATOM 0 HB2 HIS A 689 5.008 7.798 29.171 1.00 15.23 H new ATOM 0 HB3 HIS A 689 4.616 8.785 28.029 1.00 15.23 H new ATOM 0 HD2 HIS A 689 3.921 7.482 25.756 1.00 15.49 H new ATOM 0 HE1 HIS A 689 5.746 4.038 26.451 1.00 17.82 H new ATOM 0 HE2 HIS A 689 4.347 5.230 24.961 1.00 18.56 H new ATOM 154 N ASP A 690 7.698 8.431 26.134 1.00 15.52 N ATOM 155 CA ASP A 690 8.042 8.841 24.770 1.00 15.33 C ATOM 156 C ASP A 690 6.952 8.336 23.833 1.00 14.76 C ATOM 157 O ASP A 690 6.965 7.174 23.417 1.00 15.37 O ATOM 158 CB ASP A 690 9.386 8.257 24.331 1.00 14.58 C ATOM 159 CG ASP A 690 9.780 8.704 22.935 1.00 16.88 C ATOM 160 OD1 ASP A 690 8.959 9.370 22.267 1.00 15.88 O ATOM 161 OD2 ASP A 690 10.907 8.388 22.502 1.00 18.53 O ATOM 0 H ASP A 690 7.977 7.649 26.358 1.00 15.52 H new ATOM 0 HA ASP A 690 8.112 9.808 24.742 1.00 15.33 H new ATOM 0 HB2 ASP A 690 10.074 8.525 24.960 1.00 14.58 H new ATOM 0 HB3 ASP A 690 9.339 7.288 24.357 1.00 14.58 H new ATOM 162 N ASN A 691 6.010 9.211 23.498 1.00 15.33 N ATOM 163 CA ASN A 691 4.902 8.839 22.624 1.00 17.97 C ATOM 164 C ASN A 691 5.269 8.778 21.144 1.00 20.86 C ATOM 165 O ASN A 691 4.431 8.459 20.302 1.00 22.01 O ATOM 166 CB ASN A 691 3.734 9.802 22.843 1.00 16.93 C ATOM 167 CG ASN A 691 3.042 9.570 24.172 1.00 17.95 C ATOM 168 OD1 ASN A 691 2.290 8.610 24.330 1.00 17.29 O ATOM 169 ND2 ASN A 691 3.311 10.436 25.142 1.00 18.16 N ATOM 0 H ASN A 691 5.994 10.028 23.767 1.00 15.33 H new ATOM 0 HA ASN A 691 4.649 7.935 22.868 1.00 17.97 H new ATOM 0 HB2 ASN A 691 4.058 10.715 22.804 1.00 16.93 H new ATOM 0 HB3 ASN A 691 3.092 9.698 22.123 1.00 16.93 H new ATOM 0 HD21 ASN A 691 2.954 10.337 25.918 1.00 18.16 H new ATOM 0 HD22 ASN A 691 3.842 11.096 24.994 1.00 18.16 H new ATOM 170 N ASN A 692 6.525 9.074 20.829 1.00 21.40 N ATOM 171 CA ASN A 692 6.982 9.030 19.445 1.00 25.72 C ATOM 172 C ASN A 692 7.469 7.628 19.077 1.00 27.04 C ATOM 173 O ASN A 692 7.687 7.321 17.906 1.00 29.72 O ATOM 174 CB ASN A 692 8.104 10.046 19.239 1.00 27.87 C ATOM 175 CG ASN A 692 7.649 11.466 19.491 1.00 27.43 C ATOM 176 OD1 ASN A 692 6.907 12.045 18.696 1.00 30.21 O ATOM 177 ND2 ASN A 692 8.080 12.035 20.611 1.00 30.07 N ATOM 0 H ASN A 692 7.127 9.302 21.399 1.00 21.40 H new ATOM 0 HA ASN A 692 6.236 9.253 18.866 1.00 25.72 H new ATOM 0 HB2 ASN A 692 8.841 9.835 19.833 1.00 27.87 H new ATOM 0 HB3 ASN A 692 8.441 9.973 18.332 1.00 27.87 H new ATOM 0 HD21 ASN A 692 7.842 12.838 20.804 1.00 30.07 H new ATOM 0 HD22 ASN A 692 8.597 11.600 21.143 1.00 30.07 H new ATOM 178 N GLN A 693 7.640 6.783 20.086 1.00 26.81 N ATOM 179 CA GLN A 693 8.091 5.412 19.870 1.00 28.50 C ATOM 180 C GLN A 693 6.873 4.500 19.768 1.00 28.12 C ATOM 181 O GLN A 693 5.841 4.763 20.385 1.00 26.42 O ATOM 182 CB GLN A 693 8.945 4.930 21.048 1.00 29.51 C ATOM 183 CG GLN A 693 10.281 5.621 21.234 1.00 33.70 C ATOM 184 CD GLN A 693 11.248 5.334 20.108 1.00 36.59 C ATOM 185 OE1 GLN A 693 11.408 4.188 19.687 1.00 37.83 O ATOM 186 NE2 GLN A 693 11.910 6.374 19.620 1.00 37.46 N ATOM 0 H GLN A 693 7.499 6.985 20.910 1.00 26.81 H new ATOM 0 HA GLN A 693 8.618 5.386 19.056 1.00 28.50 H new ATOM 0 HB2 GLN A 693 8.430 5.039 21.863 1.00 29.51 H new ATOM 0 HB3 GLN A 693 9.106 3.980 20.939 1.00 29.51 H new ATOM 0 HG2 GLN A 693 10.140 6.579 21.298 1.00 33.70 H new ATOM 0 HG3 GLN A 693 10.674 5.336 22.074 1.00 33.70 H new ATOM 0 HE21 GLN A 693 11.772 7.160 19.940 1.00 37.46 H new ATOM 0 HE22 GLN A 693 12.478 6.262 18.984 1.00 37.46 H new ATOM 187 N PRO A 694 6.967 3.425 18.971 1.00 27.04 N ATOM 188 CA PRO A 694 5.820 2.519 18.863 1.00 26.19 C ATOM 189 C PRO A 694 5.579 1.948 20.260 1.00 24.35 C ATOM 190 O PRO A 694 6.527 1.787 21.026 1.00 23.83 O ATOM 191 CB PRO A 694 6.314 1.456 17.888 1.00 27.01 C ATOM 192 CG PRO A 694 7.235 2.233 16.993 1.00 28.97 C ATOM 193 CD PRO A 694 8.004 3.088 17.978 1.00 28.50 C ATOM 0 HA PRO A 694 4.989 2.915 18.558 1.00 26.19 H new ATOM 0 HB2 PRO A 694 6.777 0.736 18.344 1.00 27.01 H new ATOM 0 HB3 PRO A 694 5.584 1.054 17.392 1.00 27.01 H new ATOM 0 HG2 PRO A 694 7.822 1.651 16.485 1.00 28.97 H new ATOM 0 HG3 PRO A 694 6.746 2.772 16.352 1.00 28.97 H new ATOM 0 HD2 PRO A 694 8.744 2.605 18.377 1.00 28.50 H new ATOM 0 HD3 PRO A 694 8.375 3.880 17.558 1.00 28.50 H new ATOM 194 N ASP A 695 4.330 1.644 20.594 1.00 22.61 N ATOM 195 CA ASP A 695 4.020 1.103 21.917 1.00 22.86 C ATOM 196 C ASP A 695 4.646 -0.264 22.163 1.00 22.79 C ATOM 197 O ASP A 695 4.685 -1.114 21.273 1.00 22.71 O ATOM 198 CB ASP A 695 2.508 0.963 22.122 1.00 23.96 C ATOM 199 CG ASP A 695 1.774 2.288 22.070 1.00 24.86 C ATOM 200 OD1 ASP A 695 2.327 3.305 22.536 1.00 25.76 O ATOM 201 OD2 ASP A 695 0.628 2.300 21.575 1.00 28.43 O ATOM 0 H ASP A 695 3.651 1.742 20.075 1.00 22.61 H new ATOM 0 HA ASP A 695 4.395 1.740 22.545 1.00 22.86 H new ATOM 0 HB2 ASP A 695 2.148 0.374 21.441 1.00 23.96 H new ATOM 0 HB3 ASP A 695 2.341 0.541 22.979 1.00 23.96 H new ATOM 202 N SER A 696 5.127 -0.468 23.384 1.00 20.33 N ATOM 203 CA SER A 696 5.708 -1.742 23.780 1.00 20.16 C ATOM 204 C SER A 696 5.327 -1.964 25.237 1.00 19.10 C ATOM 205 O SER A 696 5.136 -1.005 25.988 1.00 18.87 O ATOM 206 CB SER A 696 7.233 -1.726 23.646 1.00 19.28 C ATOM 207 OG SER A 696 7.838 -0.987 24.690 1.00 22.63 O ATOM 0 H SER A 696 5.125 0.128 24.004 1.00 20.33 H new ATOM 0 HA SER A 696 5.376 -2.451 23.208 1.00 20.16 H new ATOM 0 HB2 SER A 696 7.569 -2.636 23.655 1.00 19.28 H new ATOM 0 HB3 SER A 696 7.480 -1.341 22.791 1.00 19.28 H new ATOM 0 HG SER A 696 8.460 -1.438 25.029 1.00 22.63 H new ATOM 208 N PHE A 697 5.203 -3.224 25.630 1.00 18.78 N ATOM 209 CA PHE A 697 4.849 -3.559 27.006 1.00 17.65 C ATOM 210 C PHE A 697 5.850 -2.949 27.988 1.00 18.07 C ATOM 211 O PHE A 697 5.471 -2.268 28.947 1.00 16.33 O ATOM 212 CB PHE A 697 4.825 -5.078 27.180 1.00 17.49 C ATOM 213 CG PHE A 697 4.681 -5.521 28.607 1.00 18.10 C ATOM 214 CD1 PHE A 697 3.488 -5.324 29.294 1.00 18.40 C ATOM 215 CD2 PHE A 697 5.748 -6.119 29.272 1.00 17.28 C ATOM 216 CE1 PHE A 697 3.357 -5.717 30.624 1.00 18.18 C ATOM 217 CE2 PHE A 697 5.628 -6.515 30.604 1.00 18.87 C ATOM 218 CZ PHE A 697 4.428 -6.313 31.281 1.00 18.02 C ATOM 0 H PHE A 697 5.320 -3.903 25.116 1.00 18.78 H new ATOM 0 HA PHE A 697 3.969 -3.195 27.192 1.00 17.65 H new ATOM 0 HB2 PHE A 697 4.091 -5.443 26.661 1.00 17.49 H new ATOM 0 HB3 PHE A 697 5.643 -5.450 26.815 1.00 17.49 H new ATOM 0 HD1 PHE A 697 2.769 -4.925 28.860 1.00 18.40 H new ATOM 0 HD2 PHE A 697 6.551 -6.256 28.823 1.00 17.28 H new ATOM 0 HE1 PHE A 697 2.554 -5.581 31.072 1.00 18.18 H new ATOM 0 HE2 PHE A 697 6.347 -6.913 31.039 1.00 18.87 H new ATOM 0 HZ PHE A 697 4.343 -6.576 32.169 1.00 18.02 H new ATOM 219 N ALA A 698 7.132 -3.193 27.742 1.00 17.89 N ATOM 220 CA ALA A 698 8.183 -2.684 28.613 1.00 18.82 C ATOM 221 C ALA A 698 8.158 -1.167 28.785 1.00 18.16 C ATOM 222 O ALA A 698 8.285 -0.662 29.903 1.00 17.74 O ATOM 223 CB ALA A 698 9.546 -3.127 28.091 1.00 20.03 C ATOM 0 H ALA A 698 7.415 -3.653 27.073 1.00 17.89 H new ATOM 0 HA ALA A 698 8.018 -3.060 29.492 1.00 18.82 H new ATOM 0 HB1 ALA A 698 10.242 -2.786 28.674 1.00 20.03 H new ATOM 0 HB2 ALA A 698 9.586 -4.096 28.072 1.00 20.03 H new ATOM 0 HB3 ALA A 698 9.677 -2.781 27.194 1.00 20.03 H new ATOM 224 N ALA A 699 7.993 -0.439 27.684 1.00 16.49 N ATOM 225 CA ALA A 699 7.976 1.019 27.747 1.00 16.06 C ATOM 226 C ALA A 699 6.736 1.557 28.457 1.00 14.07 C ATOM 227 O ALA A 699 6.826 2.490 29.254 1.00 13.01 O ATOM 228 CB ALA A 699 8.071 1.604 26.344 1.00 16.59 C ATOM 0 H ALA A 699 7.890 -0.767 26.896 1.00 16.49 H new ATOM 0 HA ALA A 699 8.747 1.293 28.268 1.00 16.06 H new ATOM 0 HB1 ALA A 699 8.059 2.573 26.396 1.00 16.59 H new ATOM 0 HB2 ALA A 699 8.897 1.313 25.927 1.00 16.59 H new ATOM 0 HB3 ALA A 699 7.317 1.300 25.815 1.00 16.59 H new ATOM 229 N LEU A 700 5.578 0.975 28.167 1.00 13.71 N ATOM 230 CA LEU A 700 4.345 1.428 28.802 1.00 14.17 C ATOM 231 C LEU A 700 4.363 1.179 30.308 1.00 13.83 C ATOM 232 O LEU A 700 3.997 2.061 31.084 1.00 12.64 O ATOM 233 CB LEU A 700 3.128 0.743 28.168 1.00 13.14 C ATOM 234 CG LEU A 700 2.797 1.152 26.725 1.00 16.03 C ATOM 235 CD1 LEU A 700 1.722 0.231 26.158 1.00 17.37 C ATOM 236 CD2 LEU A 700 2.332 2.606 26.685 1.00 15.54 C ATOM 0 H LEU A 700 5.484 0.324 27.613 1.00 13.71 H new ATOM 0 HA LEU A 700 4.279 2.385 28.659 1.00 14.17 H new ATOM 0 HB2 LEU A 700 3.273 -0.216 28.188 1.00 13.14 H new ATOM 0 HB3 LEU A 700 2.353 0.924 28.722 1.00 13.14 H new ATOM 0 HG LEU A 700 3.595 1.070 26.180 1.00 16.03 H new ATOM 0 HD11 LEU A 700 1.518 0.494 25.247 1.00 17.37 H new ATOM 0 HD12 LEU A 700 2.043 -0.684 26.165 1.00 17.37 H new ATOM 0 HD13 LEU A 700 0.921 0.296 26.701 1.00 17.37 H new ATOM 0 HD21 LEU A 700 2.126 2.855 25.770 1.00 15.54 H new ATOM 0 HD22 LEU A 700 1.539 2.708 27.234 1.00 15.54 H new ATOM 0 HD23 LEU A 700 3.036 3.180 27.025 1.00 15.54 H new ATOM 237 N LEU A 701 4.793 -0.005 30.735 1.00 14.36 N ATOM 238 CA LEU A 701 4.824 -0.278 32.171 1.00 14.56 C ATOM 239 C LEU A 701 5.935 0.501 32.873 1.00 15.82 C ATOM 240 O LEU A 701 5.761 0.954 34.010 1.00 13.45 O ATOM 241 CB LEU A 701 4.944 -1.785 32.443 1.00 14.14 C ATOM 242 CG LEU A 701 3.593 -2.511 32.559 1.00 16.14 C ATOM 243 CD1 LEU A 701 2.818 -1.983 33.772 1.00 14.70 C ATOM 244 CD2 LEU A 701 2.780 -2.305 31.291 1.00 13.98 C ATOM 0 H LEU A 701 5.063 -0.646 30.229 1.00 14.36 H new ATOM 0 HA LEU A 701 3.982 0.028 32.542 1.00 14.56 H new ATOM 0 HB2 LEU A 701 5.459 -2.193 31.729 1.00 14.14 H new ATOM 0 HB3 LEU A 701 5.443 -1.917 33.264 1.00 14.14 H new ATOM 0 HG LEU A 701 3.754 -3.460 32.677 1.00 16.14 H new ATOM 0 HD11 LEU A 701 1.968 -2.445 33.839 1.00 14.70 H new ATOM 0 HD12 LEU A 701 3.334 -2.138 34.579 1.00 14.70 H new ATOM 0 HD13 LEU A 701 2.661 -1.032 33.667 1.00 14.70 H new ATOM 0 HD21 LEU A 701 1.930 -2.766 31.373 1.00 13.98 H new ATOM 0 HD22 LEU A 701 2.622 -1.357 31.158 1.00 13.98 H new ATOM 0 HD23 LEU A 701 3.268 -2.660 30.532 1.00 13.98 H new ATOM 245 N SER A 702 7.071 0.685 32.205 1.00 16.22 N ATOM 246 CA SER A 702 8.142 1.453 32.828 1.00 15.48 C ATOM 247 C SER A 702 7.654 2.887 33.054 1.00 15.66 C ATOM 248 O SER A 702 7.973 3.510 34.069 1.00 14.08 O ATOM 249 CB SER A 702 9.396 1.443 31.950 1.00 17.06 C ATOM 250 OG SER A 702 9.979 0.148 31.940 1.00 15.44 O ATOM 0 H SER A 702 7.238 0.385 31.417 1.00 16.22 H new ATOM 0 HA SER A 702 8.376 1.051 33.679 1.00 15.48 H new ATOM 0 HB2 SER A 702 9.168 1.709 31.046 1.00 17.06 H new ATOM 0 HB3 SER A 702 10.037 2.091 32.283 1.00 17.06 H new ATOM 0 HG SER A 702 9.611 -0.320 31.348 1.00 15.44 H new ATOM 251 N SER A 703 6.876 3.410 32.111 1.00 15.05 N ATOM 252 CA SER A 703 6.350 4.761 32.255 1.00 14.10 C ATOM 253 C SER A 703 5.292 4.831 33.353 1.00 13.99 C ATOM 254 O SER A 703 5.231 5.811 34.095 1.00 13.52 O ATOM 255 CB SER A 703 5.775 5.261 30.929 1.00 13.95 C ATOM 256 OG SER A 703 6.830 5.609 30.043 1.00 15.27 O ATOM 0 H SER A 703 6.644 3.004 31.389 1.00 15.05 H new ATOM 0 HA SER A 703 7.087 5.338 32.511 1.00 14.10 H new ATOM 0 HB2 SER A 703 5.220 4.574 30.529 1.00 13.95 H new ATOM 0 HB3 SER A 703 5.206 6.031 31.084 1.00 13.95 H new ATOM 0 HG SER A 703 6.593 5.458 29.252 1.00 15.27 H new ATOM 257 N LEU A 704 4.457 3.800 33.460 1.00 13.31 N ATOM 258 CA LEU A 704 3.444 3.785 34.510 1.00 13.47 C ATOM 259 C LEU A 704 4.155 3.762 35.864 1.00 13.43 C ATOM 260 O LEU A 704 3.730 4.434 36.799 1.00 12.34 O ATOM 261 CB LEU A 704 2.524 2.562 34.373 1.00 13.26 C ATOM 262 CG LEU A 704 1.411 2.675 33.319 1.00 14.27 C ATOM 263 CD1 LEU A 704 0.775 1.308 33.063 1.00 13.67 C ATOM 264 CD2 LEU A 704 0.357 3.665 33.796 1.00 13.71 C ATOM 0 H LEU A 704 4.460 3.112 32.945 1.00 13.31 H new ATOM 0 HA LEU A 704 2.890 4.577 34.434 1.00 13.47 H new ATOM 0 HB2 LEU A 704 3.071 1.790 34.160 1.00 13.26 H new ATOM 0 HB3 LEU A 704 2.113 2.389 35.235 1.00 13.26 H new ATOM 0 HG LEU A 704 1.795 2.992 32.487 1.00 14.27 H new ATOM 0 HD11 LEU A 704 0.076 1.396 32.397 1.00 13.67 H new ATOM 0 HD12 LEU A 704 1.451 0.691 32.742 1.00 13.67 H new ATOM 0 HD13 LEU A 704 0.394 0.969 33.888 1.00 13.67 H new ATOM 0 HD21 LEU A 704 -0.345 3.736 33.131 1.00 13.71 H new ATOM 0 HD22 LEU A 704 -0.022 3.356 34.634 1.00 13.71 H new ATOM 0 HD23 LEU A 704 0.766 4.535 33.928 1.00 13.71 H new ATOM 265 N ASN A 705 5.244 3.000 35.963 1.00 13.76 N ATOM 266 CA ASN A 705 5.996 2.927 37.214 1.00 13.36 C ATOM 267 C ASN A 705 6.607 4.284 37.578 1.00 13.61 C ATOM 268 O ASN A 705 6.579 4.691 38.741 1.00 15.15 O ATOM 269 CB ASN A 705 7.110 1.875 37.129 1.00 12.12 C ATOM 270 CG ASN A 705 6.576 0.455 37.157 1.00 15.74 C ATOM 271 OD1 ASN A 705 5.460 0.213 37.614 1.00 14.47 O ATOM 272 ND2 ASN A 705 7.382 -0.497 36.687 1.00 14.82 N ATOM 0 H ASN A 705 5.562 2.521 35.323 1.00 13.76 H new ATOM 0 HA ASN A 705 5.368 2.670 37.907 1.00 13.36 H new ATOM 0 HB2 ASN A 705 7.616 2.010 36.313 1.00 12.12 H new ATOM 0 HB3 ASN A 705 7.725 2.000 37.868 1.00 12.12 H new ATOM 0 HD21 ASN A 705 7.128 -1.319 36.696 1.00 14.82 H new ATOM 0 HD22 ASN A 705 8.156 -0.290 36.375 1.00 14.82 H new ATOM 273 N GLU A 706 7.159 4.978 36.587 1.00 13.45 N ATOM 274 CA GLU A 706 7.757 6.292 36.816 1.00 13.04 C ATOM 275 C GLU A 706 6.660 7.262 37.238 1.00 12.36 C ATOM 276 O GLU A 706 6.866 8.099 38.115 1.00 13.48 O ATOM 277 CB GLU A 706 8.443 6.797 35.544 1.00 14.70 C ATOM 278 CG GLU A 706 9.014 8.214 35.630 1.00 16.52 C ATOM 279 CD GLU A 706 10.047 8.389 36.733 1.00 18.70 C ATOM 280 OE1 GLU A 706 10.745 7.410 37.069 1.00 18.34 O ATOM 281 OE2 GLU A 706 10.174 9.517 37.254 1.00 19.43 O ATOM 0 H GLU A 706 7.198 4.706 35.772 1.00 13.45 H new ATOM 0 HA GLU A 706 8.426 6.226 37.515 1.00 13.04 H new ATOM 0 HB2 GLU A 706 9.163 6.187 35.318 1.00 14.70 H new ATOM 0 HB3 GLU A 706 7.804 6.765 34.815 1.00 14.70 H new ATOM 0 HG2 GLU A 706 9.419 8.444 34.779 1.00 16.52 H new ATOM 0 HG3 GLU A 706 8.287 8.839 35.776 1.00 16.52 H new ATOM 282 N LEU A 707 5.488 7.140 36.621 1.00 13.32 N ATOM 283 CA LEU A 707 4.364 8.005 36.972 1.00 11.71 C ATOM 284 C LEU A 707 3.980 7.743 38.425 1.00 12.77 C ATOM 285 O LEU A 707 3.676 8.668 39.176 1.00 12.74 O ATOM 286 CB LEU A 707 3.158 7.726 36.066 1.00 12.28 C ATOM 287 CG LEU A 707 1.918 8.567 36.387 1.00 12.54 C ATOM 288 CD1 LEU A 707 2.242 10.054 36.247 1.00 13.48 C ATOM 289 CD2 LEU A 707 0.789 8.179 35.444 1.00 12.35 C ATOM 0 H LEU A 707 5.323 6.567 36.001 1.00 13.32 H new ATOM 0 HA LEU A 707 4.627 8.931 36.853 1.00 11.71 H new ATOM 0 HB2 LEU A 707 3.415 7.887 35.145 1.00 12.28 H new ATOM 0 HB3 LEU A 707 2.925 6.787 36.135 1.00 12.28 H new ATOM 0 HG LEU A 707 1.641 8.399 37.301 1.00 12.54 H new ATOM 0 HD11 LEU A 707 1.452 10.578 36.452 1.00 13.48 H new ATOM 0 HD12 LEU A 707 2.954 10.289 36.862 1.00 13.48 H new ATOM 0 HD13 LEU A 707 2.526 10.239 35.338 1.00 13.48 H new ATOM 0 HD21 LEU A 707 0.002 8.710 35.645 1.00 12.35 H new ATOM 0 HD22 LEU A 707 1.062 8.341 34.528 1.00 12.35 H new ATOM 0 HD23 LEU A 707 0.581 7.238 35.557 1.00 12.35 H new ATOM 290 N GLY A 708 3.989 6.473 38.815 1.00 13.52 N ATOM 291 CA GLY A 708 3.662 6.129 40.185 1.00 12.81 C ATOM 292 C GLY A 708 4.647 6.777 41.145 1.00 14.23 C ATOM 293 O GLY A 708 4.257 7.337 42.171 1.00 15.78 O ATOM 0 H GLY A 708 4.180 5.806 38.307 1.00 13.52 H new ATOM 0 HA2 GLY A 708 2.760 6.421 40.391 1.00 12.81 H new ATOM 0 HA3 GLY A 708 3.680 5.166 40.296 1.00 12.81 H new ATOM 294 N GLU A 709 5.931 6.697 40.813 1.00 12.28 N ATOM 295 CA GLU A 709 6.981 7.285 41.642 1.00 14.06 C ATOM 296 C GLU A 709 6.742 8.790 41.770 1.00 14.66 C ATOM 297 O GLU A 709 6.816 9.348 42.865 1.00 15.94 O ATOM 298 CB GLU A 709 8.359 7.041 41.012 1.00 15.78 C ATOM 299 CG GLU A 709 9.538 7.453 41.890 1.00 16.32 C ATOM 300 CD GLU A 709 9.949 6.367 42.879 1.00 21.36 C ATOM 301 OE1 GLU A 709 9.187 5.388 43.054 1.00 19.63 O ATOM 302 OE2 GLU A 709 11.036 6.494 43.488 1.00 19.90 O ATOM 0 H GLU A 709 6.219 6.303 40.105 1.00 12.28 H new ATOM 0 HA GLU A 709 6.958 6.870 42.519 1.00 14.06 H new ATOM 0 HB2 GLU A 709 8.443 6.098 40.799 1.00 15.78 H new ATOM 0 HB3 GLU A 709 8.409 7.526 40.174 1.00 15.78 H new ATOM 0 HG2 GLU A 709 10.295 7.673 41.325 1.00 16.32 H new ATOM 0 HG3 GLU A 709 9.306 8.258 42.379 1.00 16.32 H new ATOM 303 N ARG A 710 6.442 9.441 40.648 1.00 15.12 N ATOM 304 CA ARG A 710 6.202 10.882 40.651 1.00 13.53 C ATOM 305 C ARG A 710 4.943 11.236 41.427 1.00 14.89 C ATOM 306 O ARG A 710 4.941 12.185 42.213 1.00 14.59 O ATOM 307 CB ARG A 710 6.103 11.407 39.218 1.00 14.91 C ATOM 308 CG ARG A 710 7.405 11.262 38.438 1.00 14.87 C ATOM 309 CD ARG A 710 7.298 11.762 37.013 1.00 15.04 C ATOM 310 NE ARG A 710 8.583 11.641 36.326 1.00 17.01 N ATOM 311 CZ ARG A 710 8.847 12.154 35.130 1.00 18.60 C ATOM 312 NH1 ARG A 710 7.909 12.825 34.475 1.00 18.05 N ATOM 313 NH2 ARG A 710 10.058 12.013 34.604 1.00 18.27 N ATOM 0 H ARG A 710 6.373 9.068 39.876 1.00 15.12 H new ATOM 0 HA ARG A 710 6.954 11.306 41.094 1.00 13.53 H new ATOM 0 HB2 ARG A 710 5.398 10.930 38.752 1.00 14.91 H new ATOM 0 HB3 ARG A 710 5.847 12.342 39.239 1.00 14.91 H new ATOM 0 HG2 ARG A 710 8.107 11.751 38.895 1.00 14.87 H new ATOM 0 HG3 ARG A 710 7.669 10.329 38.429 1.00 14.87 H new ATOM 0 HD2 ARG A 710 6.622 11.254 36.537 1.00 15.04 H new ATOM 0 HD3 ARG A 710 7.011 12.688 37.011 1.00 15.04 H new ATOM 0 HE ARG A 710 9.211 11.208 36.724 1.00 17.01 H new ATOM 0 HH11 ARG A 710 7.130 12.928 34.825 1.00 18.05 H new ATOM 0 HH12 ARG A 710 8.080 13.157 33.700 1.00 18.05 H new ATOM 0 HH21 ARG A 710 10.669 11.590 35.038 1.00 18.27 H new ATOM 0 HH22 ARG A 710 10.232 12.344 33.830 1.00 18.27 H new ATOM 314 N GLN A 711 3.871 10.479 41.209 1.00 13.66 N ATOM 315 CA GLN A 711 2.629 10.737 41.930 1.00 14.56 C ATOM 316 C GLN A 711 2.772 10.522 43.437 1.00 15.38 C ATOM 317 O GLN A 711 2.160 11.239 44.230 1.00 14.97 O ATOM 318 CB GLN A 711 1.487 9.861 41.387 1.00 15.17 C ATOM 319 CG AGLN A 711 1.045 10.254 39.980 0.50 16.64 C ATOM 320 CG BGLN A 711 0.866 10.336 40.082 0.50 15.17 C ATOM 321 CD AGLN A 711 -0.393 9.870 39.676 0.50 17.52 C ATOM 322 CD BGLN A 711 -0.118 11.478 40.278 0.50 15.72 C ATOM 323 OE1AGLN A 711 -0.874 10.056 38.556 0.50 19.23 O ATOM 324 OE1BGLN A 711 -0.716 11.971 39.320 0.50 16.66 O ATOM 325 NE2AGLN A 711 -1.088 9.336 40.673 0.50 16.73 N ATOM 326 NE2BGLN A 711 -0.295 11.899 41.524 0.50 14.18 N ATOM 0 H GLN A 711 3.841 9.821 40.656 1.00 13.66 H new ATOM 0 HA GLN A 711 2.416 11.672 41.784 1.00 14.56 H new ATOM 0 HB2AGLN A 711 1.772 8.934 41.383 0.50 15.17 H new ATOM 0 HB2BGLN A 711 1.823 8.960 41.259 0.50 15.17 H new ATOM 0 HB3AGLN A 711 0.727 9.922 41.987 0.50 15.17 H new ATOM 0 HB3BGLN A 711 0.790 9.810 42.060 0.50 15.17 H new ATOM 0 HG2AGLN A 711 1.148 11.212 39.871 0.50 15.17 H new ATOM 0 HG2BGLN A 711 1.570 10.621 39.479 0.50 15.17 H new ATOM 0 HG3AGLN A 711 1.631 9.830 39.333 0.50 15.17 H new ATOM 0 HG3BGLN A 711 0.411 9.593 39.656 0.50 15.17 H new ATOM 0 HE21AGLN A 711 -0.719 9.221 41.441 0.50 14.18 H new ATOM 0 HE21BGLN A 711 0.140 11.531 42.168 0.50 14.18 H new ATOM 0 HE22AGLN A 711 -1.907 9.105 40.551 0.50 14.18 H new ATOM 0 HE22BGLN A 711 -0.845 12.540 41.687 0.50 14.18 H new ATOM 327 N LEU A 712 3.580 9.542 43.832 1.00 14.97 N ATOM 328 CA LEU A 712 3.765 9.255 45.246 1.00 15.42 C ATOM 329 C LEU A 712 4.286 10.483 45.980 1.00 15.03 C ATOM 330 O LEU A 712 3.878 10.761 47.106 1.00 14.62 O ATOM 331 CB LEU A 712 4.728 8.080 45.438 1.00 17.90 C ATOM 332 CG LEU A 712 4.763 7.492 46.853 1.00 23.22 C ATOM 333 CD1 LEU A 712 3.376 6.973 47.231 1.00 25.10 C ATOM 334 CD2 LEU A 712 5.772 6.361 46.916 1.00 24.86 C ATOM 0 H LEU A 712 4.027 9.036 43.299 1.00 14.97 H new ATOM 0 HA LEU A 712 2.903 9.013 45.619 1.00 15.42 H new ATOM 0 HB2 LEU A 712 4.485 7.376 44.816 1.00 17.90 H new ATOM 0 HB3 LEU A 712 5.623 8.371 45.202 1.00 17.90 H new ATOM 0 HG LEU A 712 5.025 8.185 47.479 1.00 23.22 H new ATOM 0 HD11 LEU A 712 3.402 6.602 48.127 1.00 25.10 H new ATOM 0 HD12 LEU A 712 2.738 7.703 47.203 1.00 25.10 H new ATOM 0 HD13 LEU A 712 3.106 6.284 46.604 1.00 25.10 H new ATOM 0 HD21 LEU A 712 5.790 5.993 47.813 1.00 24.86 H new ATOM 0 HD22 LEU A 712 5.520 5.667 46.287 1.00 24.86 H new ATOM 0 HD23 LEU A 712 6.652 6.699 46.688 1.00 24.86 H new ATOM 335 N VAL A 713 5.189 11.220 45.342 1.00 15.21 N ATOM 336 CA VAL A 713 5.736 12.429 45.951 1.00 15.64 C ATOM 337 C VAL A 713 4.615 13.431 46.233 1.00 15.76 C ATOM 338 O VAL A 713 4.583 14.054 47.294 1.00 17.03 O ATOM 339 CB VAL A 713 6.787 13.095 45.034 1.00 16.55 C ATOM 340 CG1 VAL A 713 7.246 14.424 45.640 1.00 18.19 C ATOM 341 CG2 VAL A 713 7.974 12.158 44.851 1.00 18.26 C ATOM 0 H VAL A 713 5.497 11.039 44.560 1.00 15.21 H new ATOM 0 HA VAL A 713 6.166 12.170 46.781 1.00 15.64 H new ATOM 0 HB VAL A 713 6.389 13.272 44.167 1.00 16.55 H new ATOM 0 HG11 VAL A 713 7.905 14.835 45.058 1.00 18.19 H new ATOM 0 HG12 VAL A 713 6.484 15.017 45.734 1.00 18.19 H new ATOM 0 HG13 VAL A 713 7.640 14.263 46.512 1.00 18.19 H new ATOM 0 HG21 VAL A 713 8.632 12.578 44.275 1.00 18.26 H new ATOM 0 HG22 VAL A 713 8.374 11.969 45.714 1.00 18.26 H new ATOM 0 HG23 VAL A 713 7.673 11.329 44.447 1.00 18.26 H new ATOM 342 N HIS A 714 3.695 13.580 45.283 1.00 16.63 N ATOM 343 CA HIS A 714 2.574 14.501 45.449 1.00 16.39 C ATOM 344 C HIS A 714 1.545 13.980 46.443 1.00 16.07 C ATOM 345 O HIS A 714 0.949 14.757 47.189 1.00 15.73 O ATOM 346 CB HIS A 714 1.887 14.774 44.108 1.00 19.16 C ATOM 347 CG HIS A 714 2.681 15.648 43.189 1.00 22.96 C ATOM 348 ND1 HIS A 714 3.738 15.178 42.440 1.00 25.66 N ATOM 349 CD2 HIS A 714 2.579 16.969 42.907 1.00 24.78 C ATOM 350 CE1 HIS A 714 4.251 16.171 41.734 1.00 25.18 C ATOM 351 NE2 HIS A 714 3.565 17.267 41.999 1.00 26.18 N ATOM 0 H HIS A 714 3.702 13.157 44.534 1.00 16.63 H new ATOM 0 HA HIS A 714 2.945 15.326 45.799 1.00 16.39 H new ATOM 0 HB2 HIS A 714 1.712 13.929 43.666 1.00 19.16 H new ATOM 0 HB3 HIS A 714 1.027 15.191 44.274 1.00 19.16 H new ATOM 0 HD1 HIS A 714 4.020 14.366 42.433 1.00 25.66 H new ATOM 0 HD2 HIS A 714 1.958 17.563 43.262 1.00 24.78 H new ATOM 0 HE1 HIS A 714 4.972 16.108 41.150 1.00 25.18 H new ATOM 352 N VAL A 715 1.328 12.668 46.452 1.00 15.61 N ATOM 353 CA VAL A 715 0.368 12.082 47.381 1.00 15.80 C ATOM 354 C VAL A 715 0.844 12.251 48.821 1.00 15.55 C ATOM 355 O VAL A 715 0.037 12.500 49.722 1.00 13.88 O ATOM 356 CB VAL A 715 0.131 10.582 47.075 1.00 16.89 C ATOM 357 CG1 VAL A 715 -0.645 9.926 48.218 1.00 17.02 C ATOM 358 CG2 VAL A 715 -0.650 10.440 45.778 1.00 17.82 C ATOM 0 H VAL A 715 1.722 12.105 45.934 1.00 15.61 H new ATOM 0 HA VAL A 715 -0.473 12.551 47.268 1.00 15.80 H new ATOM 0 HB VAL A 715 0.990 10.141 46.984 1.00 16.89 H new ATOM 0 HG11 VAL A 715 -0.788 8.988 48.016 1.00 17.02 H new ATOM 0 HG12 VAL A 715 -0.138 10.006 49.041 1.00 17.02 H new ATOM 0 HG13 VAL A 715 -1.502 10.368 48.323 1.00 17.02 H new ATOM 0 HG21 VAL A 715 -0.797 9.500 45.590 1.00 17.82 H new ATOM 0 HG22 VAL A 715 -1.505 10.889 45.864 1.00 17.82 H new ATOM 0 HG23 VAL A 715 -0.147 10.840 45.052 1.00 17.82 H new ATOM 359 N VAL A 716 2.152 12.132 49.043 1.00 14.72 N ATOM 360 CA VAL A 716 2.689 12.301 50.390 1.00 15.29 C ATOM 361 C VAL A 716 2.491 13.743 50.862 1.00 15.30 C ATOM 362 O VAL A 716 2.011 13.975 51.971 1.00 15.70 O ATOM 363 CB VAL A 716 4.192 11.940 50.455 1.00 14.93 C ATOM 364 CG1 VAL A 716 4.771 12.336 51.815 1.00 16.67 C ATOM 365 CG2 VAL A 716 4.371 10.438 50.245 1.00 15.30 C ATOM 0 H VAL A 716 2.737 11.957 48.437 1.00 14.72 H new ATOM 0 HA VAL A 716 2.205 11.696 50.974 1.00 15.29 H new ATOM 0 HB VAL A 716 4.660 12.424 49.757 1.00 14.93 H new ATOM 0 HG11 VAL A 716 5.713 12.106 51.845 1.00 16.67 H new ATOM 0 HG12 VAL A 716 4.668 13.292 51.945 1.00 16.67 H new ATOM 0 HG13 VAL A 716 4.300 11.862 52.518 1.00 16.67 H new ATOM 0 HG21 VAL A 716 5.314 10.215 50.286 1.00 15.30 H new ATOM 0 HG22 VAL A 716 3.895 9.955 50.938 1.00 15.30 H new ATOM 0 HG23 VAL A 716 4.018 10.188 49.377 1.00 15.30 H new ATOM 366 N LYS A 717 2.847 14.707 50.017 1.00 15.59 N ATOM 367 CA LYS A 717 2.694 16.120 50.366 1.00 17.23 C ATOM 368 C LYS A 717 1.222 16.463 50.593 1.00 16.61 C ATOM 369 O LYS A 717 0.883 17.231 51.499 1.00 15.63 O ATOM 370 CB LYS A 717 3.291 17.004 49.263 1.00 19.51 C ATOM 371 CG LYS A 717 4.807 16.878 49.171 1.00 24.17 C ATOM 372 CD LYS A 717 5.458 17.937 48.282 1.00 27.98 C ATOM 373 CE LYS A 717 5.217 17.690 46.800 1.00 31.00 C ATOM 374 NZ LYS A 717 5.934 18.705 45.960 1.00 34.69 N ATOM 0 H LYS A 717 3.179 14.566 49.236 1.00 15.59 H new ATOM 0 HA LYS A 717 3.174 16.289 51.192 1.00 17.23 H new ATOM 0 HB2 LYS A 717 2.897 16.762 48.410 1.00 19.51 H new ATOM 0 HB3 LYS A 717 3.056 17.930 49.432 1.00 19.51 H new ATOM 0 HG2 LYS A 717 5.184 16.940 50.063 1.00 24.17 H new ATOM 0 HG3 LYS A 717 5.030 15.998 48.829 1.00 24.17 H new ATOM 0 HD2 LYS A 717 5.112 18.811 48.521 1.00 27.98 H new ATOM 0 HD3 LYS A 717 6.413 17.954 48.452 1.00 27.98 H new ATOM 0 HE2 LYS A 717 5.519 16.799 46.564 1.00 31.00 H new ATOM 0 HE3 LYS A 717 4.266 17.725 46.614 1.00 31.00 H new ATOM 0 HZ1 LYS A 717 5.779 18.541 45.099 1.00 34.69 H new ATOM 0 HZ2 LYS A 717 5.641 19.520 46.164 1.00 34.69 H new ATOM 0 HZ3 LYS A 717 6.809 18.657 46.118 1.00 34.69 H new ATOM 375 N TRP A 718 0.356 15.878 49.770 1.00 15.40 N ATOM 376 CA TRP A 718 -1.091 16.087 49.868 1.00 15.27 C ATOM 377 C TRP A 718 -1.636 15.528 51.185 1.00 15.58 C ATOM 378 O TRP A 718 -2.361 16.209 51.912 1.00 14.39 O ATOM 379 CB TRP A 718 -1.792 15.394 48.688 1.00 14.39 C ATOM 380 CG TRP A 718 -3.288 15.222 48.847 1.00 13.19 C ATOM 381 CD1 TRP A 718 -4.256 16.172 48.662 1.00 12.86 C ATOM 382 CD2 TRP A 718 -3.975 14.019 49.227 1.00 13.47 C ATOM 383 NE1 TRP A 718 -5.502 15.634 48.900 1.00 13.46 N ATOM 384 CE2 TRP A 718 -5.359 14.316 49.248 1.00 12.75 C ATOM 385 CE3 TRP A 718 -3.555 12.721 49.548 1.00 12.55 C ATOM 386 CZ2 TRP A 718 -6.326 13.358 49.580 1.00 12.16 C ATOM 387 CZ3 TRP A 718 -4.518 11.765 49.879 1.00 13.25 C ATOM 388 CH2 TRP A 718 -5.889 12.092 49.889 1.00 13.12 C ATOM 0 H TRP A 718 0.590 15.346 49.136 1.00 15.40 H new ATOM 0 HA TRP A 718 -1.266 17.041 49.842 1.00 15.27 H new ATOM 0 HB2 TRP A 718 -1.622 15.906 47.882 1.00 14.39 H new ATOM 0 HB3 TRP A 718 -1.391 14.520 48.558 1.00 14.39 H new ATOM 0 HD1 TRP A 718 -4.096 17.053 48.412 1.00 12.86 H new ATOM 0 HE1 TRP A 718 -6.249 16.057 48.840 1.00 13.46 H new ATOM 0 HE3 TRP A 718 -2.652 12.500 49.541 1.00 12.55 H new ATOM 0 HZ2 TRP A 718 -7.231 13.571 49.591 1.00 12.16 H new ATOM 0 HZ3 TRP A 718 -4.251 10.901 50.096 1.00 13.25 H new ATOM 0 HH2 TRP A 718 -6.511 11.437 50.109 1.00 13.12 H new ATOM 389 N ALA A 719 -1.290 14.281 51.488 1.00 15.19 N ATOM 390 CA ALA A 719 -1.765 13.636 52.705 1.00 14.42 C ATOM 391 C ALA A 719 -1.353 14.394 53.961 1.00 15.65 C ATOM 392 O ALA A 719 -2.166 14.614 54.861 1.00 15.71 O ATOM 393 CB ALA A 719 -1.251 12.197 52.778 1.00 15.33 C ATOM 0 H ALA A 719 -0.779 13.790 51.000 1.00 15.19 H new ATOM 0 HA ALA A 719 -2.734 13.637 52.667 1.00 14.42 H new ATOM 0 HB1 ALA A 719 -1.574 11.779 53.592 1.00 15.33 H new ATOM 0 HB2 ALA A 719 -1.572 11.699 52.010 1.00 15.33 H new ATOM 0 HB3 ALA A 719 -0.281 12.199 52.779 1.00 15.33 H new ATOM 394 N LYS A 720 -0.090 14.804 54.013 1.00 15.30 N ATOM 395 CA LYS A 720 0.421 15.515 55.173 1.00 16.69 C ATOM 396 C LYS A 720 -0.222 16.876 55.380 1.00 17.11 C ATOM 397 O LYS A 720 -0.132 17.453 56.462 1.00 19.47 O ATOM 398 CB LYS A 720 1.938 15.651 55.070 1.00 18.98 C ATOM 399 CG LYS A 720 2.652 14.315 55.209 1.00 23.55 C ATOM 400 CD LYS A 720 4.146 14.482 55.348 1.00 27.82 C ATOM 401 CE LYS A 720 4.818 13.138 55.577 1.00 32.48 C ATOM 402 NZ LYS A 720 4.336 12.484 56.826 1.00 34.69 N ATOM 0 H LYS A 720 0.485 14.679 53.386 1.00 15.30 H new ATOM 0 HA LYS A 720 0.187 14.986 55.952 1.00 16.69 H new ATOM 0 HB2 LYS A 720 2.167 16.050 54.216 1.00 18.98 H new ATOM 0 HB3 LYS A 720 2.253 16.256 55.759 1.00 18.98 H new ATOM 0 HG2 LYS A 720 2.307 13.844 55.984 1.00 23.55 H new ATOM 0 HG3 LYS A 720 2.460 13.765 54.434 1.00 23.55 H new ATOM 0 HD2 LYS A 720 4.506 14.896 54.548 1.00 27.82 H new ATOM 0 HD3 LYS A 720 4.342 15.077 56.088 1.00 27.82 H new ATOM 0 HE2 LYS A 720 4.645 12.557 54.820 1.00 32.48 H new ATOM 0 HE3 LYS A 720 5.779 13.261 55.626 1.00 32.48 H new ATOM 0 HZ1 LYS A 720 4.926 11.871 57.087 1.00 34.69 H new ATOM 0 HZ2 LYS A 720 4.243 13.096 57.465 1.00 34.69 H new ATOM 0 HZ3 LYS A 720 3.551 12.094 56.673 1.00 34.69 H new ATOM 403 N ALA A 721 -0.897 17.374 54.351 1.00 15.40 N ATOM 404 CA ALA A 721 -1.558 18.669 54.435 1.00 16.06 C ATOM 405 C ALA A 721 -3.056 18.537 54.697 1.00 15.58 C ATOM 406 O ALA A 721 -3.776 19.534 54.763 1.00 14.90 O ATOM 407 CB ALA A 721 -1.324 19.460 53.145 1.00 16.20 C ATOM 0 H ALA A 721 -0.984 16.976 53.593 1.00 15.40 H new ATOM 0 HA ALA A 721 -1.171 19.143 55.188 1.00 16.06 H new ATOM 0 HB1 ALA A 721 -1.767 20.321 53.208 1.00 16.20 H new ATOM 0 HB2 ALA A 721 -0.372 19.595 53.016 1.00 16.20 H new ATOM 0 HB3 ALA A 721 -1.685 18.966 52.392 1.00 16.20 H new ATOM 408 N LEU A 722 -3.527 17.305 54.845 1.00 14.27 N ATOM 409 CA LEU A 722 -4.939 17.066 55.119 1.00 14.34 C ATOM 410 C LEU A 722 -5.307 17.435 56.550 1.00 15.19 C ATOM 411 O LEU A 722 -4.521 17.236 57.476 1.00 15.49 O ATOM 412 CB LEU A 722 -5.289 15.593 54.903 1.00 13.85 C ATOM 413 CG LEU A 722 -5.547 15.115 53.478 1.00 15.86 C ATOM 414 CD1 LEU A 722 -5.611 13.594 53.482 1.00 14.39 C ATOM 415 CD2 LEU A 722 -6.851 15.719 52.955 1.00 15.43 C ATOM 0 H LEU A 722 -3.047 16.594 54.791 1.00 14.27 H new ATOM 0 HA LEU A 722 -5.440 17.626 54.505 1.00 14.34 H new ATOM 0 HB2 LEU A 722 -4.565 15.060 55.268 1.00 13.85 H new ATOM 0 HB3 LEU A 722 -6.080 15.396 55.429 1.00 13.85 H new ATOM 0 HG LEU A 722 -4.831 15.402 52.890 1.00 15.86 H new ATOM 0 HD11 LEU A 722 -5.775 13.274 52.581 1.00 14.39 H new ATOM 0 HD12 LEU A 722 -4.769 13.235 53.804 1.00 14.39 H new ATOM 0 HD13 LEU A 722 -6.330 13.302 54.064 1.00 14.39 H new ATOM 0 HD21 LEU A 722 -7.010 15.412 52.049 1.00 15.43 H new ATOM 0 HD22 LEU A 722 -7.587 15.442 53.523 1.00 15.43 H new ATOM 0 HD23 LEU A 722 -6.785 16.687 52.961 1.00 15.43 H new ATOM 416 N PRO A 723 -6.514 17.986 56.746 1.00 15.37 N ATOM 417 CA PRO A 723 -6.953 18.361 58.091 1.00 16.57 C ATOM 418 C PRO A 723 -6.843 17.174 59.055 1.00 17.71 C ATOM 419 O PRO A 723 -7.332 16.079 58.763 1.00 18.37 O ATOM 420 CB PRO A 723 -8.406 18.783 57.872 1.00 16.33 C ATOM 421 CG PRO A 723 -8.386 19.354 56.494 1.00 15.54 C ATOM 422 CD PRO A 723 -7.517 18.370 55.735 1.00 14.85 C ATOM 0 HA PRO A 723 -6.416 19.061 58.493 1.00 16.57 H new ATOM 0 HB2 PRO A 723 -9.013 18.029 57.940 1.00 16.33 H new ATOM 0 HB3 PRO A 723 -8.693 19.438 58.528 1.00 16.33 H new ATOM 0 HG2 PRO A 723 -9.277 19.413 56.116 1.00 15.54 H new ATOM 0 HG3 PRO A 723 -8.012 20.249 56.481 1.00 15.54 H new ATOM 0 HD2 PRO A 723 -8.025 17.606 55.422 1.00 14.85 H new ATOM 0 HD3 PRO A 723 -7.107 18.776 54.955 1.00 14.85 H new ATOM 423 N GLY A 724 -6.184 17.394 60.189 1.00 17.50 N ATOM 424 CA GLY A 724 -6.035 16.356 61.194 1.00 17.96 C ATOM 425 C GLY A 724 -5.062 15.219 60.942 1.00 18.49 C ATOM 426 O GLY A 724 -4.814 14.421 61.845 1.00 18.55 O ATOM 0 H GLY A 724 -5.815 18.143 60.393 1.00 17.50 H new ATOM 0 HA2 GLY A 724 -5.773 16.787 62.023 1.00 17.96 H new ATOM 0 HA3 GLY A 724 -6.910 15.965 61.342 1.00 17.96 H new ATOM 427 N PHE A 725 -4.499 15.130 59.742 1.00 17.92 N ATOM 428 CA PHE A 725 -3.573 14.038 59.431 1.00 20.01 C ATOM 429 C PHE A 725 -2.371 13.974 60.374 1.00 22.01 C ATOM 430 O PHE A 725 -1.939 12.888 60.765 1.00 20.26 O ATOM 431 CB PHE A 725 -3.081 14.152 57.986 1.00 20.61 C ATOM 432 CG PHE A 725 -2.318 12.952 57.508 1.00 19.93 C ATOM 433 CD1 PHE A 725 -2.981 11.771 57.177 1.00 21.65 C ATOM 434 CD2 PHE A 725 -0.936 13.001 57.377 1.00 21.36 C ATOM 435 CE1 PHE A 725 -2.271 10.659 56.716 1.00 21.44 C ATOM 436 CE2 PHE A 725 -0.220 11.895 56.918 1.00 20.54 C ATOM 437 CZ PHE A 725 -0.887 10.726 56.588 1.00 20.05 C ATOM 0 H PHE A 725 -4.636 15.683 59.098 1.00 17.92 H new ATOM 0 HA PHE A 725 -4.075 13.217 59.552 1.00 20.01 H new ATOM 0 HB2 PHE A 725 -3.844 14.292 57.404 1.00 20.61 H new ATOM 0 HB3 PHE A 725 -2.516 14.936 57.907 1.00 20.61 H new ATOM 0 HD1 PHE A 725 -3.906 11.723 57.264 1.00 21.65 H new ATOM 0 HD2 PHE A 725 -0.482 13.782 57.598 1.00 21.36 H new ATOM 0 HE1 PHE A 725 -2.722 9.876 56.495 1.00 21.44 H new ATOM 0 HE2 PHE A 725 0.705 11.942 56.834 1.00 20.54 H new ATOM 0 HZ PHE A 725 -0.411 9.988 56.282 1.00 20.05 H new ATOM 438 N ARG A 726 -1.840 15.137 60.739 1.00 24.80 N ATOM 439 CA ARG A 726 -0.689 15.192 61.633 1.00 28.63 C ATOM 440 C ARG A 726 -0.982 14.649 63.029 1.00 28.54 C ATOM 441 O ARG A 726 -0.064 14.447 63.822 1.00 30.61 O ATOM 442 CB ARG A 726 -0.149 16.625 61.721 1.00 32.05 C ATOM 443 CG ARG A 726 0.479 17.125 60.422 1.00 35.86 C ATOM 444 CD ARG A 726 1.522 16.134 59.906 1.00 39.31 C ATOM 445 NE ARG A 726 2.248 16.610 58.729 1.00 42.89 N ATOM 446 CZ ARG A 726 3.049 17.671 58.728 1.00 44.43 C ATOM 447 NH1 ARG A 726 3.223 18.370 59.844 1.00 46.04 N ATOM 448 NH2 ARG A 726 3.686 18.027 57.621 1.00 45.00 N ATOM 0 H ARG A 726 -2.131 15.904 60.481 1.00 24.80 H new ATOM 0 HA ARG A 726 -0.014 14.612 61.248 1.00 28.63 H new ATOM 0 HB2 ARG A 726 -0.873 17.220 61.971 1.00 32.05 H new ATOM 0 HB3 ARG A 726 0.512 16.670 62.429 1.00 32.05 H new ATOM 0 HG2 ARG A 726 -0.211 17.252 59.752 1.00 35.86 H new ATOM 0 HG3 ARG A 726 0.894 17.989 60.570 1.00 35.86 H new ATOM 0 HD2 ARG A 726 2.157 15.946 60.615 1.00 39.31 H new ATOM 0 HD3 ARG A 726 1.083 15.297 59.689 1.00 39.31 H new ATOM 0 HE ARG A 726 2.151 16.177 57.992 1.00 42.89 H new ATOM 0 HH11 ARG A 726 2.818 18.136 60.566 1.00 46.04 H new ATOM 0 HH12 ARG A 726 3.741 19.057 59.845 1.00 46.04 H new ATOM 0 HH21 ARG A 726 3.582 17.571 56.899 1.00 45.00 H new ATOM 0 HH22 ARG A 726 4.203 18.714 57.625 1.00 45.00 H new ATOM 449 N ASN A 727 -2.258 14.411 63.327 1.00 28.68 N ATOM 450 CA ASN A 727 -2.644 13.869 64.631 1.00 28.90 C ATOM 451 C ASN A 727 -2.242 12.404 64.730 1.00 27.29 C ATOM 452 O ASN A 727 -2.022 11.883 65.823 1.00 27.20 O ATOM 453 CB ASN A 727 -4.159 13.972 64.864 1.00 31.73 C ATOM 454 CG ASN A 727 -4.623 15.393 65.132 1.00 35.42 C ATOM 455 OD1 ASN A 727 -3.861 16.226 65.622 1.00 38.46 O ATOM 456 ND2 ASN A 727 -5.890 15.670 64.828 1.00 35.45 N ATOM 0 H ASN A 727 -2.914 14.556 62.791 1.00 28.68 H new ATOM 0 HA ASN A 727 -2.185 14.394 65.305 1.00 28.90 H new ATOM 0 HB2 ASN A 727 -4.625 13.626 64.087 1.00 31.73 H new ATOM 0 HB3 ASN A 727 -4.405 13.410 65.615 1.00 31.73 H new ATOM 0 HD21 ASN A 727 -6.205 16.457 64.973 1.00 35.45 H new ATOM 0 HD22 ASN A 727 -6.393 15.062 64.487 1.00 35.45 H new ATOM 457 N LEU A 728 -2.165 11.735 63.584 1.00 24.22 N ATOM 458 CA LEU A 728 -1.800 10.324 63.559 1.00 23.20 C ATOM 459 C LEU A 728 -0.357 10.128 64.000 1.00 23.22 C ATOM 460 O LEU A 728 0.490 11.000 63.795 1.00 22.69 O ATOM 461 CB LEU A 728 -1.962 9.757 62.148 1.00 23.45 C ATOM 462 CG LEU A 728 -3.336 9.728 61.482 1.00 22.14 C ATOM 463 CD1 LEU A 728 -3.181 9.210 60.056 1.00 23.24 C ATOM 464 CD2 LEU A 728 -4.287 8.833 62.265 1.00 24.96 C ATOM 0 H LEU A 728 -2.320 12.079 62.811 1.00 24.22 H new ATOM 0 HA LEU A 728 -2.390 9.858 64.172 1.00 23.20 H new ATOM 0 HB2 LEU A 728 -1.372 10.261 61.566 1.00 23.45 H new ATOM 0 HB3 LEU A 728 -1.632 8.845 62.165 1.00 23.45 H new ATOM 0 HG LEU A 728 -3.708 10.624 61.467 1.00 22.14 H new ATOM 0 HD11 LEU A 728 -4.049 9.188 59.624 1.00 23.24 H new ATOM 0 HD12 LEU A 728 -2.589 9.797 59.561 1.00 23.24 H new ATOM 0 HD13 LEU A 728 -2.807 8.315 60.075 1.00 23.24 H new ATOM 0 HD21 LEU A 728 -5.154 8.824 61.831 1.00 24.96 H new ATOM 0 HD22 LEU A 728 -3.932 7.931 62.295 1.00 24.96 H new ATOM 0 HD23 LEU A 728 -4.381 9.173 63.169 1.00 24.96 H new ATOM 465 N HIS A 729 -0.078 8.978 64.599 1.00 23.11 N ATOM 466 CA HIS A 729 1.280 8.672 65.023 1.00 24.78 C ATOM 467 C HIS A 729 2.125 8.718 63.750 1.00 24.89 C ATOM 468 O HIS A 729 1.675 8.274 62.695 1.00 24.05 O ATOM 469 CB HIS A 729 1.323 7.278 65.649 1.00 26.18 C ATOM 470 CG HIS A 729 2.663 6.903 66.195 1.00 28.99 C ATOM 471 ND1 HIS A 729 3.776 6.759 65.397 1.00 29.29 N ATOM 472 CD2 HIS A 729 3.073 6.664 67.463 1.00 29.52 C ATOM 473 CE1 HIS A 729 4.816 6.448 66.149 1.00 31.63 C ATOM 474 NE2 HIS A 729 4.416 6.384 67.407 1.00 31.16 N ATOM 0 H HIS A 729 -0.657 8.365 64.768 1.00 23.11 H new ATOM 0 HA HIS A 729 1.608 9.297 65.688 1.00 24.78 H new ATOM 0 HB2 HIS A 729 0.668 7.233 66.363 1.00 26.18 H new ATOM 0 HB3 HIS A 729 1.061 6.625 64.982 1.00 26.18 H new ATOM 0 HD2 HIS A 729 2.544 6.685 68.228 1.00 29.52 H new ATOM 0 HE1 HIS A 729 5.682 6.299 65.845 1.00 31.63 H new ATOM 0 HE2 HIS A 729 4.916 6.197 68.081 1.00 31.16 H new ATOM 475 N VAL A 730 3.336 9.265 63.838 1.00 25.03 N ATOM 476 CA VAL A 730 4.210 9.375 62.672 1.00 26.48 C ATOM 477 C VAL A 730 4.360 8.084 61.867 1.00 25.34 C ATOM 478 O VAL A 730 4.410 8.120 60.635 1.00 26.08 O ATOM 479 CB VAL A 730 5.624 9.883 63.068 1.00 28.34 C ATOM 480 CG1 VAL A 730 5.527 11.294 63.622 1.00 30.75 C ATOM 481 CG2 VAL A 730 6.250 8.956 64.099 1.00 31.18 C ATOM 0 H VAL A 730 3.671 9.579 64.565 1.00 25.03 H new ATOM 0 HA VAL A 730 3.764 10.019 62.100 1.00 26.48 H new ATOM 0 HB VAL A 730 6.188 9.890 62.279 1.00 28.34 H new ATOM 0 HG11 VAL A 730 6.412 11.607 63.868 1.00 30.75 H new ATOM 0 HG12 VAL A 730 5.153 11.882 62.947 1.00 30.75 H new ATOM 0 HG13 VAL A 730 4.955 11.296 64.405 1.00 30.75 H new ATOM 0 HG21 VAL A 730 7.131 9.284 64.337 1.00 31.18 H new ATOM 0 HG22 VAL A 730 5.691 8.928 64.891 1.00 31.18 H new ATOM 0 HG23 VAL A 730 6.328 8.063 63.727 1.00 31.18 H new ATOM 482 N ASP A 731 4.431 6.948 62.552 1.00 25.83 N ATOM 483 CA ASP A 731 4.574 5.670 61.860 1.00 26.27 C ATOM 484 C ASP A 731 3.305 5.300 61.107 1.00 23.71 C ATOM 485 O ASP A 731 3.365 4.676 60.043 1.00 24.38 O ATOM 486 CB ASP A 731 4.930 4.557 62.847 1.00 30.34 C ATOM 487 CG ASP A 731 6.277 4.778 63.507 1.00 34.20 C ATOM 488 OD1 ASP A 731 7.167 5.359 62.850 1.00 34.65 O ATOM 489 OD2 ASP A 731 6.448 4.360 64.672 1.00 36.69 O ATOM 0 H ASP A 731 4.399 6.894 63.410 1.00 25.83 H new ATOM 0 HA ASP A 731 5.294 5.769 61.217 1.00 26.27 H new ATOM 0 HB2 ASP A 731 4.243 4.502 63.530 1.00 30.34 H new ATOM 0 HB3 ASP A 731 4.936 3.706 62.382 1.00 30.34 H new ATOM 490 N ASP A 732 2.157 5.689 61.653 1.00 21.05 N ATOM 491 CA ASP A 732 0.881 5.394 61.013 1.00 19.77 C ATOM 492 C ASP A 732 0.664 6.285 59.799 1.00 19.36 C ATOM 493 O ASP A 732 0.019 5.884 58.835 1.00 17.23 O ATOM 494 CB ASP A 732 -0.270 5.570 62.009 1.00 19.59 C ATOM 495 CG ASP A 732 -0.225 4.552 63.130 1.00 19.53 C ATOM 496 OD1 ASP A 732 0.447 3.515 62.957 1.00 19.66 O ATOM 497 OD2 ASP A 732 -0.873 4.782 64.175 1.00 20.48 O ATOM 0 H ASP A 732 2.096 6.124 62.392 1.00 21.05 H new ATOM 0 HA ASP A 732 0.900 4.471 60.715 1.00 19.77 H new ATOM 0 HB2 ASP A 732 -0.235 6.463 62.385 1.00 19.59 H new ATOM 0 HB3 ASP A 732 -1.115 5.493 61.539 1.00 19.59 H new ATOM 498 N GLN A 733 1.213 7.494 59.848 1.00 18.87 N ATOM 499 CA GLN A 733 1.088 8.424 58.734 1.00 19.12 C ATOM 500 C GLN A 733 1.666 7.807 57.466 1.00 20.74 C ATOM 501 O GLN A 733 0.997 7.749 56.434 1.00 19.33 O ATOM 502 CB GLN A 733 1.823 9.730 59.041 1.00 19.67 C ATOM 503 CG GLN A 733 1.108 10.655 60.008 1.00 20.71 C ATOM 504 CD GLN A 733 1.920 11.902 60.298 1.00 22.20 C ATOM 505 OE1 GLN A 733 2.500 12.495 59.392 1.00 23.92 O ATOM 506 NE2 GLN A 733 1.956 12.312 61.563 1.00 21.11 N ATOM 0 H GLN A 733 1.662 7.794 60.517 1.00 18.87 H new ATOM 0 HA GLN A 733 0.146 8.613 58.601 1.00 19.12 H new ATOM 0 HB2 GLN A 733 2.696 9.516 59.405 1.00 19.67 H new ATOM 0 HB3 GLN A 733 1.971 10.206 58.209 1.00 19.67 H new ATOM 0 HG2 GLN A 733 0.248 10.908 59.638 1.00 20.71 H new ATOM 0 HG3 GLN A 733 0.932 10.183 60.837 1.00 20.71 H new ATOM 0 HE21 GLN A 733 1.537 11.870 62.170 1.00 21.11 H new ATOM 0 HE22 GLN A 733 2.398 13.019 61.773 1.00 21.11 H new ATOM 507 N MET A 734 2.910 7.343 57.536 1.00 20.53 N ATOM 508 CA MET A 734 3.532 6.749 56.356 1.00 21.89 C ATOM 509 C MET A 734 2.898 5.413 55.996 1.00 19.68 C ATOM 510 O MET A 734 2.806 5.065 54.822 1.00 20.16 O ATOM 511 CB MET A 734 5.039 6.572 56.559 1.00 26.33 C ATOM 512 CG MET A 734 5.836 7.880 56.546 1.00 31.11 C ATOM 513 SD MET A 734 5.419 9.010 55.181 1.00 39.01 S ATOM 514 CE MET A 734 5.601 7.924 53.747 1.00 33.87 C ATOM 0 H MET A 734 3.403 7.361 58.241 1.00 20.53 H new ATOM 0 HA MET A 734 3.384 7.363 55.619 1.00 21.89 H new ATOM 0 HB2 MET A 734 5.190 6.122 57.405 1.00 26.33 H new ATOM 0 HB3 MET A 734 5.382 5.990 55.863 1.00 26.33 H new ATOM 0 HG2 MET A 734 5.692 8.341 57.387 1.00 31.11 H new ATOM 0 HG3 MET A 734 6.781 7.668 56.497 1.00 31.11 H new ATOM 0 HE1 MET A 734 5.748 8.460 52.952 1.00 33.87 H new ATOM 0 HE2 MET A 734 6.358 7.333 53.882 1.00 33.87 H new ATOM 0 HE3 MET A 734 4.795 7.396 53.636 1.00 33.87 H new ATOM 515 N ALA A 735 2.447 4.675 57.006 1.00 17.71 N ATOM 516 CA ALA A 735 1.826 3.378 56.768 1.00 18.52 C ATOM 517 C ALA A 735 0.550 3.487 55.939 1.00 17.49 C ATOM 518 O ALA A 735 0.403 2.799 54.929 1.00 17.34 O ATOM 519 CB ALA A 735 1.524 2.680 58.097 1.00 19.68 C ATOM 0 H ALA A 735 2.491 4.907 57.833 1.00 17.71 H new ATOM 0 HA ALA A 735 2.461 2.850 56.259 1.00 18.52 H new ATOM 0 HB1 ALA A 735 1.112 1.819 57.924 1.00 19.68 H new ATOM 0 HB2 ALA A 735 2.350 2.549 58.589 1.00 19.68 H new ATOM 0 HB3 ALA A 735 0.919 3.229 58.621 1.00 19.68 H new ATOM 520 N VAL A 736 -0.375 4.344 56.364 1.00 16.05 N ATOM 521 CA VAL A 736 -1.629 4.496 55.631 1.00 15.00 C ATOM 522 C VAL A 736 -1.389 4.969 54.203 1.00 14.70 C ATOM 523 O VAL A 736 -2.114 4.588 53.292 1.00 13.95 O ATOM 524 CB VAL A 736 -2.605 5.469 56.347 1.00 16.81 C ATOM 525 CG1 VAL A 736 -2.999 4.893 57.699 1.00 18.43 C ATOM 526 CG2 VAL A 736 -1.963 6.835 56.517 1.00 18.89 C ATOM 0 H VAL A 736 -0.299 4.839 57.063 1.00 16.05 H new ATOM 0 HA VAL A 736 -2.038 3.617 55.604 1.00 15.00 H new ATOM 0 HB VAL A 736 -3.402 5.575 55.804 1.00 16.81 H new ATOM 0 HG11 VAL A 736 -3.608 5.502 58.145 1.00 18.43 H new ATOM 0 HG12 VAL A 736 -3.435 4.036 57.571 1.00 18.43 H new ATOM 0 HG13 VAL A 736 -2.205 4.774 58.244 1.00 18.43 H new ATOM 0 HG21 VAL A 736 -2.584 7.431 56.965 1.00 18.89 H new ATOM 0 HG22 VAL A 736 -1.156 6.750 57.049 1.00 18.89 H new ATOM 0 HG23 VAL A 736 -1.739 7.198 55.646 1.00 18.89 H new ATOM 527 N ILE A 737 -0.367 5.793 54.001 1.00 13.94 N ATOM 528 CA ILE A 737 -0.062 6.263 52.657 1.00 14.22 C ATOM 529 C ILE A 737 0.456 5.086 51.828 1.00 14.99 C ATOM 530 O ILE A 737 0.043 4.882 50.686 1.00 14.83 O ATOM 531 CB ILE A 737 1.012 7.382 52.678 1.00 14.05 C ATOM 532 CG1 ILE A 737 0.430 8.654 53.300 1.00 14.92 C ATOM 533 CG2 ILE A 737 1.501 7.661 51.262 1.00 16.06 C ATOM 534 CD1 ILE A 737 1.464 9.734 53.585 1.00 15.29 C ATOM 0 H ILE A 737 0.154 6.088 54.618 1.00 13.94 H new ATOM 0 HA ILE A 737 -0.872 6.628 52.268 1.00 14.22 H new ATOM 0 HB ILE A 737 1.765 7.089 53.215 1.00 14.05 H new ATOM 0 HG12 ILE A 737 -0.245 9.015 52.704 1.00 14.92 H new ATOM 0 HG13 ILE A 737 -0.018 8.422 54.128 1.00 14.92 H new ATOM 0 HG21 ILE A 737 2.172 8.361 51.283 1.00 16.06 H new ATOM 0 HG22 ILE A 737 1.888 6.854 50.888 1.00 16.06 H new ATOM 0 HG23 ILE A 737 0.755 7.946 50.712 1.00 16.06 H new ATOM 0 HD11 ILE A 737 1.026 10.506 53.976 1.00 15.29 H new ATOM 0 HD12 ILE A 737 2.128 9.391 54.204 1.00 15.29 H new ATOM 0 HD13 ILE A 737 1.898 9.994 52.757 1.00 15.29 H new ATOM 535 N GLN A 738 1.352 4.301 52.411 1.00 14.41 N ATOM 536 CA GLN A 738 1.917 3.166 51.696 1.00 15.80 C ATOM 537 C GLN A 738 0.936 2.021 51.439 1.00 15.06 C ATOM 538 O GLN A 738 1.174 1.185 50.569 1.00 16.26 O ATOM 539 CB GLN A 738 3.166 2.672 52.425 1.00 18.14 C ATOM 540 CG GLN A 738 4.302 3.682 52.318 1.00 22.92 C ATOM 541 CD GLN A 738 5.590 3.215 52.961 1.00 25.91 C ATOM 542 OE1 GLN A 738 5.667 2.117 53.504 1.00 29.21 O ATOM 543 NE2 GLN A 738 6.613 4.059 52.901 1.00 29.37 N ATOM 0 H GLN A 738 1.644 4.407 53.213 1.00 14.41 H new ATOM 0 HA GLN A 738 2.152 3.489 50.812 1.00 15.80 H new ATOM 0 HB2 GLN A 738 2.957 2.514 53.359 1.00 18.14 H new ATOM 0 HB3 GLN A 738 3.448 1.823 52.050 1.00 18.14 H new ATOM 0 HG2 GLN A 738 4.468 3.873 51.382 1.00 22.92 H new ATOM 0 HG3 GLN A 738 4.025 4.514 52.733 1.00 22.92 H new ATOM 0 HE21 GLN A 738 6.520 4.820 52.512 1.00 29.37 H new ATOM 0 HE22 GLN A 738 7.368 3.845 53.252 1.00 29.37 H new ATOM 544 N TYR A 739 -0.170 1.978 52.175 1.00 15.08 N ATOM 545 CA TYR A 739 -1.155 0.926 51.938 1.00 14.48 C ATOM 546 C TYR A 739 -2.244 1.401 50.984 1.00 15.02 C ATOM 547 O TYR A 739 -2.749 0.624 50.176 1.00 15.67 O ATOM 548 CB TYR A 739 -1.849 0.484 53.231 1.00 15.66 C ATOM 549 CG TYR A 739 -0.948 -0.073 54.303 1.00 18.53 C ATOM 550 CD1 TYR A 739 0.089 -0.952 53.989 1.00 22.93 C ATOM 551 CD2 TYR A 739 -1.153 0.258 55.640 1.00 20.93 C ATOM 552 CE1 TYR A 739 0.905 -1.486 54.990 1.00 25.58 C ATOM 553 CE2 TYR A 739 -0.350 -0.267 56.642 1.00 25.41 C ATOM 554 CZ TYR A 739 0.675 -1.135 56.312 1.00 25.01 C ATOM 555 OH TYR A 739 1.474 -1.642 57.312 1.00 29.08 O ATOM 0 H TYR A 739 -0.367 2.533 52.802 1.00 15.08 H new ATOM 0 HA TYR A 739 -0.662 0.182 51.558 1.00 14.48 H new ATOM 0 HB2 TYR A 739 -2.327 1.244 53.597 1.00 15.66 H new ATOM 0 HB3 TYR A 739 -2.512 -0.188 53.009 1.00 15.66 H new ATOM 0 HD1 TYR A 739 0.239 -1.186 53.101 1.00 22.93 H new ATOM 0 HD2 TYR A 739 -1.841 0.842 55.865 1.00 20.93 H new ATOM 0 HE1 TYR A 739 1.595 -2.070 54.772 1.00 25.58 H new ATOM 0 HE2 TYR A 739 -0.500 -0.037 57.530 1.00 25.41 H new ATOM 0 HH TYR A 739 2.245 -1.785 57.010 1.00 29.08 H new ATOM 556 N SER A 740 -2.585 2.685 51.066 1.00 13.47 N ATOM 557 CA SER A 740 -3.673 3.245 50.264 1.00 13.41 C ATOM 558 C SER A 740 -3.337 3.927 48.944 1.00 14.09 C ATOM 559 O SER A 740 -4.251 4.298 48.210 1.00 13.15 O ATOM 560 CB SER A 740 -4.459 4.256 51.105 1.00 13.64 C ATOM 561 OG ASER A 740 -3.666 5.393 51.399 0.50 10.01 O ATOM 562 OG BSER A 740 -4.869 3.696 52.336 0.50 18.59 O ATOM 0 H SER A 740 -2.197 3.252 51.583 1.00 13.47 H new ATOM 0 HA SER A 740 -4.168 2.450 50.011 1.00 13.41 H new ATOM 0 HB2ASER A 740 -5.258 4.529 50.627 0.50 13.64 H new ATOM 0 HB2BSER A 740 -3.909 5.038 51.271 0.50 13.64 H new ATOM 0 HB3ASER A 740 -4.751 3.838 51.930 0.50 13.64 H new ATOM 0 HB3BSER A 740 -5.237 4.556 50.609 0.50 13.64 H new ATOM 0 HG ASER A 740 -3.074 5.185 51.957 0.50 18.59 H new ATOM 0 HG BSER A 740 -4.245 3.759 52.894 0.50 18.59 H new ATOM 563 N TRP A 741 -2.059 4.097 48.627 1.00 12.93 N ATOM 564 CA TRP A 741 -1.712 4.800 47.395 1.00 13.03 C ATOM 565 C TRP A 741 -2.353 4.278 46.109 1.00 13.57 C ATOM 566 O TRP A 741 -2.793 5.074 45.277 1.00 12.66 O ATOM 567 CB TRP A 741 -0.187 4.884 47.220 1.00 14.89 C ATOM 568 CG TRP A 741 0.490 3.572 47.079 1.00 15.43 C ATOM 569 CD1 TRP A 741 0.880 2.738 48.083 1.00 17.57 C ATOM 570 CD2 TRP A 741 0.827 2.912 45.853 1.00 15.75 C ATOM 571 NE1 TRP A 741 1.439 1.598 47.562 1.00 18.73 N ATOM 572 CE2 TRP A 741 1.419 1.678 46.194 1.00 17.78 C ATOM 573 CE3 TRP A 741 0.685 3.244 44.500 1.00 15.86 C ATOM 574 CZ2 TRP A 741 1.869 0.769 45.229 1.00 16.97 C ATOM 575 CZ3 TRP A 741 1.133 2.339 43.539 1.00 16.14 C ATOM 576 CH2 TRP A 741 1.718 1.117 43.911 1.00 16.78 C ATOM 0 H TRP A 741 -1.393 3.822 49.096 1.00 12.93 H new ATOM 0 HA TRP A 741 -2.096 5.681 47.523 1.00 13.03 H new ATOM 0 HB2 TRP A 741 0.008 5.421 46.436 1.00 14.89 H new ATOM 0 HB3 TRP A 741 0.189 5.349 47.984 1.00 14.89 H new ATOM 0 HD1 TRP A 741 0.782 2.916 48.991 1.00 17.57 H new ATOM 0 HE1 TRP A 741 1.751 0.940 48.020 1.00 18.73 H new ATOM 0 HE3 TRP A 741 0.300 4.052 44.248 1.00 15.86 H new ATOM 0 HZ2 TRP A 741 2.256 -0.041 45.473 1.00 16.97 H new ATOM 0 HZ3 TRP A 741 1.043 2.547 42.637 1.00 16.14 H new ATOM 0 HH2 TRP A 741 2.009 0.532 43.249 1.00 16.78 H new ATOM 577 N MET A 742 -2.425 2.960 45.936 1.00 12.99 N ATOM 578 CA MET A 742 -3.019 2.414 44.718 1.00 12.65 C ATOM 579 C MET A 742 -4.466 2.882 44.545 1.00 13.83 C ATOM 580 O MET A 742 -4.832 3.404 43.492 1.00 12.47 O ATOM 581 CB MET A 742 -2.965 0.882 44.726 1.00 13.54 C ATOM 582 CG MET A 742 -3.388 0.241 43.398 1.00 12.24 C ATOM 583 SD MET A 742 -2.175 0.467 42.059 1.00 14.70 S ATOM 584 CE MET A 742 -1.015 -0.890 42.442 1.00 14.65 C ATOM 0 H MET A 742 -2.142 2.375 46.499 1.00 12.99 H new ATOM 0 HA MET A 742 -2.499 2.744 43.969 1.00 12.65 H new ATOM 0 HB2 MET A 742 -2.062 0.600 44.939 1.00 13.54 H new ATOM 0 HB3 MET A 742 -3.540 0.550 45.433 1.00 13.54 H new ATOM 0 HG2 MET A 742 -3.531 -0.708 43.537 1.00 12.24 H new ATOM 0 HG3 MET A 742 -4.238 0.619 43.122 1.00 12.24 H new ATOM 0 HE1 MET A 742 -0.377 -0.984 41.718 1.00 14.65 H new ATOM 0 HE2 MET A 742 -0.542 -0.689 43.265 1.00 14.65 H new ATOM 0 HE3 MET A 742 -1.509 -1.718 42.547 1.00 14.65 H new ATOM 585 N GLY A 743 -5.283 2.701 45.582 1.00 12.74 N ATOM 586 CA GLY A 743 -6.674 3.123 45.503 1.00 13.54 C ATOM 587 C GLY A 743 -6.809 4.615 45.252 1.00 14.44 C ATOM 588 O GLY A 743 -7.638 5.050 44.442 1.00 15.04 O ATOM 0 H GLY A 743 -5.053 2.341 46.328 1.00 12.74 H new ATOM 0 HA2 GLY A 743 -7.118 2.636 44.791 1.00 13.54 H new ATOM 0 HA3 GLY A 743 -7.127 2.894 46.329 1.00 13.54 H new ATOM 589 N LEU A 744 -5.997 5.403 45.950 1.00 14.42 N ATOM 590 CA LEU A 744 -6.016 6.857 45.799 1.00 14.36 C ATOM 591 C LEU A 744 -5.686 7.276 44.375 1.00 14.22 C ATOM 592 O LEU A 744 -6.384 8.100 43.783 1.00 14.08 O ATOM 593 CB LEU A 744 -5.002 7.509 46.743 1.00 14.11 C ATOM 594 CG LEU A 744 -5.318 7.534 48.237 1.00 15.54 C ATOM 595 CD1 LEU A 744 -4.055 7.873 49.023 1.00 15.02 C ATOM 596 CD2 LEU A 744 -6.413 8.552 48.504 1.00 15.25 C ATOM 0 H LEU A 744 -5.423 5.114 46.521 1.00 14.42 H new ATOM 0 HA LEU A 744 -6.914 7.152 46.017 1.00 14.36 H new ATOM 0 HB2 LEU A 744 -4.154 7.053 46.627 1.00 14.11 H new ATOM 0 HB3 LEU A 744 -4.873 8.425 46.452 1.00 14.11 H new ATOM 0 HG LEU A 744 -5.630 6.661 48.523 1.00 15.54 H new ATOM 0 HD11 LEU A 744 -4.258 7.888 49.971 1.00 15.02 H new ATOM 0 HD12 LEU A 744 -3.376 7.203 48.849 1.00 15.02 H new ATOM 0 HD13 LEU A 744 -3.727 8.744 48.749 1.00 15.02 H new ATOM 0 HD21 LEU A 744 -6.615 8.569 49.453 1.00 15.25 H new ATOM 0 HD22 LEU A 744 -6.114 9.431 48.222 1.00 15.25 H new ATOM 0 HD23 LEU A 744 -7.210 8.307 48.009 1.00 15.25 H new ATOM 597 N MET A 745 -4.619 6.706 43.828 1.00 13.36 N ATOM 598 CA MET A 745 -4.194 7.054 42.480 1.00 13.04 C ATOM 599 C MET A 745 -5.165 6.583 41.407 1.00 13.24 C ATOM 600 O MET A 745 -5.382 7.277 40.417 1.00 14.21 O ATOM 601 CB MET A 745 -2.800 6.495 42.214 1.00 13.38 C ATOM 602 CG MET A 745 -1.725 7.138 43.069 1.00 14.88 C ATOM 603 SD MET A 745 -0.087 6.549 42.636 1.00 16.18 S ATOM 604 CE MET A 745 0.891 7.359 43.914 1.00 16.63 C ATOM 0 H MET A 745 -4.129 6.117 44.219 1.00 13.36 H new ATOM 0 HA MET A 745 -4.177 8.023 42.431 1.00 13.04 H new ATOM 0 HB2 MET A 745 -2.805 5.539 42.376 1.00 13.38 H new ATOM 0 HB3 MET A 745 -2.580 6.623 41.278 1.00 13.38 H new ATOM 0 HG2 MET A 745 -1.761 8.101 42.963 1.00 14.88 H new ATOM 0 HG3 MET A 745 -1.900 6.949 44.004 1.00 14.88 H new ATOM 0 HE1 MET A 745 1.833 7.284 43.697 1.00 16.63 H new ATOM 0 HE2 MET A 745 0.645 8.296 43.965 1.00 16.63 H new ATOM 0 HE3 MET A 745 0.722 6.933 44.769 1.00 16.63 H new ATOM 605 N VAL A 746 -5.748 5.406 41.602 1.00 13.61 N ATOM 606 CA VAL A 746 -6.708 4.878 40.639 1.00 13.28 C ATOM 607 C VAL A 746 -7.963 5.750 40.637 1.00 13.51 C ATOM 608 O VAL A 746 -8.517 6.053 39.582 1.00 13.03 O ATOM 609 CB VAL A 746 -7.093 3.420 40.980 1.00 14.77 C ATOM 610 CG1 VAL A 746 -8.322 2.996 40.183 1.00 14.75 C ATOM 611 CG2 VAL A 746 -5.919 2.492 40.673 1.00 14.80 C ATOM 0 H VAL A 746 -5.603 4.899 42.282 1.00 13.61 H new ATOM 0 HA VAL A 746 -6.296 4.888 39.761 1.00 13.28 H new ATOM 0 HB VAL A 746 -7.305 3.362 41.925 1.00 14.77 H new ATOM 0 HG11 VAL A 746 -8.553 2.081 40.406 1.00 14.75 H new ATOM 0 HG12 VAL A 746 -9.066 3.579 40.401 1.00 14.75 H new ATOM 0 HG13 VAL A 746 -8.130 3.059 39.234 1.00 14.75 H new ATOM 0 HG21 VAL A 746 -6.164 1.578 40.888 1.00 14.80 H new ATOM 0 HG22 VAL A 746 -5.695 2.553 39.731 1.00 14.80 H new ATOM 0 HG23 VAL A 746 -5.151 2.754 41.205 1.00 14.80 H new ATOM 612 N PHE A 747 -8.404 6.154 41.826 1.00 13.26 N ATOM 613 CA PHE A 747 -9.600 6.987 41.960 1.00 14.25 C ATOM 614 C PHE A 747 -9.380 8.336 41.270 1.00 14.39 C ATOM 615 O PHE A 747 -10.233 8.804 40.518 1.00 13.76 O ATOM 616 CB PHE A 747 -9.919 7.202 43.444 1.00 13.33 C ATOM 617 CG PHE A 747 -11.298 7.757 43.710 1.00 14.19 C ATOM 618 CD1 PHE A 747 -12.432 6.992 43.459 1.00 13.28 C ATOM 619 CD2 PHE A 747 -11.457 9.031 44.252 1.00 14.39 C ATOM 620 CE1 PHE A 747 -13.704 7.484 43.746 1.00 13.76 C ATOM 621 CE2 PHE A 747 -12.728 9.533 44.543 1.00 15.19 C ATOM 622 CZ PHE A 747 -13.851 8.755 44.290 1.00 14.63 C ATOM 0 H PHE A 747 -8.024 5.956 42.572 1.00 13.26 H new ATOM 0 HA PHE A 747 -10.348 6.538 41.537 1.00 14.25 H new ATOM 0 HB2 PHE A 747 -9.827 6.356 43.909 1.00 13.33 H new ATOM 0 HB3 PHE A 747 -9.261 7.806 43.821 1.00 13.33 H new ATOM 0 HD1 PHE A 747 -12.340 6.141 43.095 1.00 13.28 H new ATOM 0 HD2 PHE A 747 -10.707 9.554 44.422 1.00 14.39 H new ATOM 0 HE1 PHE A 747 -14.454 6.962 43.574 1.00 13.76 H new ATOM 0 HE2 PHE A 747 -12.822 10.385 44.905 1.00 15.19 H new ATOM 0 HZ PHE A 747 -14.699 9.084 44.484 1.00 14.63 H new ATOM 623 N ALA A 748 -8.229 8.954 41.525 1.00 13.45 N ATOM 624 CA ALA A 748 -7.912 10.244 40.922 1.00 14.67 C ATOM 625 C ALA A 748 -7.800 10.121 39.408 1.00 14.30 C ATOM 626 O ALA A 748 -8.243 11.007 38.675 1.00 13.63 O ATOM 627 CB ALA A 748 -6.607 10.794 41.502 1.00 14.32 C ATOM 0 H ALA A 748 -7.619 8.642 42.045 1.00 13.45 H new ATOM 0 HA ALA A 748 -8.633 10.860 41.127 1.00 14.67 H new ATOM 0 HB1 ALA A 748 -6.407 11.651 41.094 1.00 14.32 H new ATOM 0 HB2 ALA A 748 -6.701 10.907 42.461 1.00 14.32 H new ATOM 0 HB3 ALA A 748 -5.884 10.173 41.320 1.00 14.32 H new ATOM 628 N MET A 749 -7.205 9.027 38.941 1.00 14.33 N ATOM 629 CA MET A 749 -7.044 8.809 37.505 1.00 14.31 C ATOM 630 C MET A 749 -8.421 8.644 36.863 1.00 14.70 C ATOM 631 O MET A 749 -8.671 9.144 35.766 1.00 15.47 O ATOM 632 CB MET A 749 -6.163 7.574 37.259 1.00 14.07 C ATOM 633 CG MET A 749 -5.823 7.300 35.792 1.00 13.50 C ATOM 634 SD MET A 749 -7.118 6.417 34.917 1.00 15.06 S ATOM 635 CE MET A 749 -6.950 4.770 35.646 1.00 16.26 C ATOM 0 H MET A 749 -6.888 8.400 39.437 1.00 14.33 H new ATOM 0 HA MET A 749 -6.605 9.574 37.101 1.00 14.31 H new ATOM 0 HB2 MET A 749 -5.335 7.681 37.754 1.00 14.07 H new ATOM 0 HB3 MET A 749 -6.613 6.796 37.623 1.00 14.07 H new ATOM 0 HG2 MET A 749 -5.654 8.143 35.343 1.00 13.50 H new ATOM 0 HG3 MET A 749 -5.002 6.785 35.747 1.00 13.50 H new ATOM 0 HE1 MET A 749 -7.140 4.097 34.973 1.00 16.26 H new ATOM 0 HE2 MET A 749 -6.045 4.652 35.974 1.00 16.26 H new ATOM 0 HE3 MET A 749 -7.575 4.676 36.382 1.00 16.26 H new ATOM 636 N GLY A 750 -9.321 7.958 37.561 1.00 14.83 N ATOM 637 CA GLY A 750 -10.663 7.769 37.037 1.00 14.87 C ATOM 638 C GLY A 750 -11.359 9.108 36.869 1.00 15.28 C ATOM 639 O GLY A 750 -12.072 9.334 35.884 1.00 15.87 O ATOM 0 H GLY A 750 -9.175 7.600 38.329 1.00 14.83 H new ATOM 0 HA2 GLY A 750 -10.622 7.310 36.183 1.00 14.87 H new ATOM 0 HA3 GLY A 750 -11.175 7.205 37.638 1.00 14.87 H new ATOM 640 N TRP A 751 -11.150 10.001 37.832 1.00 14.46 N ATOM 641 CA TRP A 751 -11.749 11.333 37.794 1.00 15.34 C ATOM 642 C TRP A 751 -11.136 12.152 36.659 1.00 16.88 C ATOM 643 O TRP A 751 -11.852 12.851 35.940 1.00 17.81 O ATOM 644 CB TRP A 751 -11.556 12.034 39.148 1.00 14.37 C ATOM 645 CG TRP A 751 -12.091 13.443 39.217 1.00 14.42 C ATOM 646 CD1 TRP A 751 -11.360 14.598 39.186 1.00 14.82 C ATOM 647 CD2 TRP A 751 -13.463 13.840 39.326 1.00 14.95 C ATOM 648 NE1 TRP A 751 -12.194 15.690 39.271 1.00 16.60 N ATOM 649 CE2 TRP A 751 -13.489 15.254 39.358 1.00 14.48 C ATOM 650 CE3 TRP A 751 -14.675 13.140 39.402 1.00 16.61 C ATOM 651 CZ2 TRP A 751 -14.680 15.983 39.463 1.00 15.74 C ATOM 652 CZ3 TRP A 751 -15.862 13.866 39.506 1.00 16.22 C ATOM 653 CH2 TRP A 751 -15.854 15.271 39.536 1.00 14.82 C ATOM 0 H TRP A 751 -10.660 9.854 38.523 1.00 14.46 H new ATOM 0 HA TRP A 751 -12.701 11.251 37.627 1.00 15.34 H new ATOM 0 HB2 TRP A 751 -11.988 11.504 39.836 1.00 14.37 H new ATOM 0 HB3 TRP A 751 -10.609 12.051 39.356 1.00 14.37 H new ATOM 0 HD1 TRP A 751 -10.433 14.640 39.117 1.00 14.82 H new ATOM 0 HE1 TRP A 751 -11.942 16.512 39.270 1.00 16.60 H new ATOM 0 HE3 TRP A 751 -14.688 12.210 39.383 1.00 16.61 H new ATOM 0 HZ2 TRP A 751 -14.677 16.913 39.483 1.00 15.74 H new ATOM 0 HZ3 TRP A 751 -16.672 13.412 39.556 1.00 16.22 H new ATOM 0 HH2 TRP A 751 -16.660 15.729 39.607 1.00 14.82 H new ATOM 654 N ARG A 752 -9.816 12.061 36.494 1.00 17.33 N ATOM 655 CA ARG A 752 -9.130 12.782 35.418 1.00 18.20 C ATOM 656 C ARG A 752 -9.663 12.309 34.072 1.00 18.37 C ATOM 657 O ARG A 752 -9.849 13.105 33.148 1.00 18.43 O ATOM 658 CB ARG A 752 -7.619 12.512 35.438 1.00 18.66 C ATOM 659 CG ARG A 752 -6.840 13.229 36.509 1.00 20.26 C ATOM 660 CD ARG A 752 -5.359 13.258 36.144 1.00 18.04 C ATOM 661 NE ARG A 752 -4.728 11.937 36.147 1.00 16.28 N ATOM 662 CZ ARG A 752 -4.382 11.273 37.248 1.00 16.69 C ATOM 663 NH1 ARG A 752 -4.603 11.798 38.449 1.00 15.73 N ATOM 664 NH2 ARG A 752 -3.796 10.088 37.150 1.00 16.24 N ATOM 0 H ARG A 752 -9.299 11.588 36.993 1.00 17.33 H new ATOM 0 HA ARG A 752 -9.291 13.729 35.550 1.00 18.20 H new ATOM 0 HB2 ARG A 752 -7.479 11.558 35.544 1.00 18.66 H new ATOM 0 HB3 ARG A 752 -7.252 12.758 34.575 1.00 18.66 H new ATOM 0 HG2 ARG A 752 -7.174 14.134 36.611 1.00 20.26 H new ATOM 0 HG3 ARG A 752 -6.962 12.783 37.362 1.00 20.26 H new ATOM 0 HD2 ARG A 752 -5.258 13.654 35.264 1.00 18.04 H new ATOM 0 HD3 ARG A 752 -4.891 13.833 36.769 1.00 18.04 H new ATOM 0 HE ARG A 752 -4.570 11.565 35.388 1.00 16.28 H new ATOM 0 HH11 ARG A 752 -4.972 12.572 38.519 1.00 15.73 H new ATOM 0 HH12 ARG A 752 -4.377 11.364 39.156 1.00 15.73 H new ATOM 0 HH21 ARG A 752 -3.639 9.748 36.376 1.00 16.24 H new ATOM 0 HH22 ARG A 752 -3.572 9.659 37.861 1.00 16.24 H new ATOM 665 N SER A 753 -9.891 11.005 33.961 1.00 16.60 N ATOM 666 CA SER A 753 -10.391 10.429 32.718 1.00 16.68 C ATOM 667 C SER A 753 -11.787 10.959 32.412 1.00 18.25 C ATOM 668 O SER A 753 -12.105 11.282 31.265 1.00 16.11 O ATOM 669 CB SER A 753 -10.411 8.904 32.815 1.00 18.35 C ATOM 670 OG SER A 753 -9.100 8.404 33.033 1.00 16.88 O ATOM 0 H SER A 753 -9.763 10.436 34.593 1.00 16.60 H new ATOM 0 HA SER A 753 -9.798 10.687 31.995 1.00 16.68 H new ATOM 0 HB2 SER A 753 -10.993 8.628 33.540 1.00 18.35 H new ATOM 0 HB3 SER A 753 -10.776 8.527 31.999 1.00 18.35 H new ATOM 0 HG SER A 753 -8.869 8.558 33.826 1.00 16.88 H new ATOM 671 N PHE A 754 -12.610 11.057 33.449 1.00 17.75 N ATOM 672 CA PHE A 754 -13.969 11.559 33.297 1.00 18.56 C ATOM 673 C PHE A 754 -13.997 13.031 32.886 1.00 19.50 C ATOM 674 O PHE A 754 -14.655 13.398 31.909 1.00 20.81 O ATOM 675 CB PHE A 754 -14.739 11.381 34.610 1.00 18.84 C ATOM 676 CG PHE A 754 -16.034 12.144 34.663 1.00 21.23 C ATOM 677 CD1 PHE A 754 -17.053 11.874 33.755 1.00 22.74 C ATOM 678 CD2 PHE A 754 -16.226 13.142 35.611 1.00 21.13 C ATOM 679 CE1 PHE A 754 -18.252 12.592 33.790 1.00 22.36 C ATOM 680 CE2 PHE A 754 -17.420 13.865 35.657 1.00 23.64 C ATOM 681 CZ PHE A 754 -18.433 13.587 34.742 1.00 20.97 C ATOM 0 H PHE A 754 -12.399 10.837 34.253 1.00 17.75 H new ATOM 0 HA PHE A 754 -14.390 11.046 32.590 1.00 18.56 H new ATOM 0 HB2 PHE A 754 -14.924 10.438 34.742 1.00 18.84 H new ATOM 0 HB3 PHE A 754 -14.176 11.665 35.347 1.00 18.84 H new ATOM 0 HD1 PHE A 754 -16.935 11.208 33.117 1.00 22.74 H new ATOM 0 HD2 PHE A 754 -15.551 13.331 36.222 1.00 21.13 H new ATOM 0 HE1 PHE A 754 -18.926 12.404 33.178 1.00 22.36 H new ATOM 0 HE2 PHE A 754 -17.538 14.530 36.296 1.00 23.64 H new ATOM 0 HZ PHE A 754 -19.229 14.067 34.769 1.00 20.97 H new ATOM 682 N THR A 755 -13.273 13.868 33.624 1.00 19.56 N ATOM 683 CA THR A 755 -13.252 15.300 33.350 1.00 20.37 C ATOM 684 C THR A 755 -12.515 15.728 32.084 1.00 21.39 C ATOM 685 O THR A 755 -12.940 16.664 31.409 1.00 20.58 O ATOM 686 CB THR A 755 -12.652 16.094 34.533 1.00 20.69 C ATOM 687 OG1 THR A 755 -11.250 15.818 34.640 1.00 21.25 O ATOM 688 CG2 THR A 755 -13.344 15.708 35.833 1.00 20.63 C ATOM 0 H THR A 755 -12.786 13.625 34.290 1.00 19.56 H new ATOM 0 HA THR A 755 -14.190 15.506 33.215 1.00 20.37 H new ATOM 0 HB THR A 755 -12.786 17.041 34.372 1.00 20.69 H new ATOM 0 HG1 THR A 755 -11.139 15.055 34.973 1.00 21.25 H new ATOM 0 HG21 THR A 755 -12.959 16.212 36.567 1.00 20.63 H new ATOM 0 HG22 THR A 755 -14.291 15.906 35.767 1.00 20.63 H new ATOM 0 HG23 THR A 755 -13.223 14.759 35.995 1.00 20.63 H new ATOM 689 N ASN A 756 -11.424 15.044 31.753 1.00 21.99 N ATOM 690 CA ASN A 756 -10.632 15.417 30.582 1.00 22.65 C ATOM 691 C ASN A 756 -11.049 14.817 29.246 1.00 22.86 C ATOM 692 O ASN A 756 -11.061 15.518 28.231 1.00 23.79 O ATOM 693 CB ASN A 756 -9.158 15.097 30.837 1.00 23.80 C ATOM 694 CG ASN A 756 -8.609 15.832 32.038 1.00 26.32 C ATOM 695 OD1 ASN A 756 -7.505 15.553 32.500 1.00 28.91 O ATOM 696 ND2 ASN A 756 -9.380 16.782 32.552 1.00 28.49 N ATOM 0 H ASN A 756 -11.126 14.365 32.189 1.00 21.99 H new ATOM 0 HA ASN A 756 -10.796 16.368 30.482 1.00 22.65 H new ATOM 0 HB2 ASN A 756 -9.055 14.142 30.971 1.00 23.80 H new ATOM 0 HB3 ASN A 756 -8.638 15.331 30.052 1.00 23.80 H new ATOM 0 HD21 ASN A 756 -9.112 17.230 33.235 1.00 28.49 H new ATOM 0 HD22 ASN A 756 -10.147 16.950 32.202 1.00 28.49 H new ATOM 697 N VAL A 757 -11.387 13.532 29.235 1.00 22.01 N ATOM 698 CA VAL A 757 -11.772 12.874 27.995 1.00 21.27 C ATOM 699 C VAL A 757 -13.097 12.123 28.092 1.00 21.58 C ATOM 700 O VAL A 757 -13.357 11.195 27.326 1.00 21.32 O ATOM 701 CB VAL A 757 -10.658 11.890 27.534 1.00 20.59 C ATOM 702 CG1 VAL A 757 -9.389 12.673 27.209 1.00 20.72 C ATOM 703 CG2 VAL A 757 -10.365 10.867 28.629 1.00 17.70 C ATOM 0 H VAL A 757 -11.400 13.027 29.931 1.00 22.01 H new ATOM 0 HA VAL A 757 -11.890 13.582 27.343 1.00 21.27 H new ATOM 0 HB VAL A 757 -10.962 11.420 26.742 1.00 20.59 H new ATOM 0 HG11 VAL A 757 -8.695 12.060 26.922 1.00 20.72 H new ATOM 0 HG12 VAL A 757 -9.573 13.308 26.499 1.00 20.72 H new ATOM 0 HG13 VAL A 757 -9.091 13.150 27.999 1.00 20.72 H new ATOM 0 HG21 VAL A 757 -9.670 10.261 28.328 1.00 17.70 H new ATOM 0 HG22 VAL A 757 -10.069 11.326 29.430 1.00 17.70 H new ATOM 0 HG23 VAL A 757 -11.170 10.363 28.825 1.00 17.70 H new ATOM 704 N ASN A 758 -13.941 12.548 29.022 1.00 21.18 N ATOM 705 CA ASN A 758 -15.244 11.935 29.245 1.00 22.81 C ATOM 706 C ASN A 758 -15.172 10.410 29.272 1.00 23.20 C ATOM 707 O ASN A 758 -16.024 9.717 28.709 1.00 21.98 O ATOM 708 CB ASN A 758 -16.250 12.413 28.188 1.00 26.59 C ATOM 709 CG ASN A 758 -17.685 12.045 28.543 1.00 30.01 C ATOM 710 OD1 ASN A 758 -18.044 11.954 29.724 1.00 31.43 O ATOM 711 ND2 ASN A 758 -18.518 11.853 27.526 1.00 31.76 N ATOM 0 H ASN A 758 -13.772 13.208 29.548 1.00 21.18 H new ATOM 0 HA ASN A 758 -15.548 12.219 30.121 1.00 22.81 H new ATOM 0 HB2 ASN A 758 -16.180 13.376 28.091 1.00 26.59 H new ATOM 0 HB3 ASN A 758 -16.022 12.024 27.329 1.00 26.59 H new ATOM 0 HD21 ASN A 758 -19.342 11.657 27.676 1.00 31.76 H new ATOM 0 HD22 ASN A 758 -18.233 11.925 26.718 1.00 31.76 H new ATOM 712 N SER A 759 -14.140 9.899 29.940 1.00 23.13 N ATOM 713 CA SER A 759 -13.927 8.461 30.095 1.00 24.45 C ATOM 714 C SER A 759 -13.710 7.664 28.806 1.00 24.45 C ATOM 715 O SER A 759 -13.781 6.436 28.821 1.00 24.97 O ATOM 716 CB SER A 759 -15.105 7.851 30.864 1.00 25.79 C ATOM 717 OG SER A 759 -15.409 8.618 32.019 1.00 25.51 O ATOM 0 H SER A 759 -13.538 10.382 30.320 1.00 23.13 H new ATOM 0 HA SER A 759 -13.089 8.390 30.579 1.00 24.45 H new ATOM 0 HB2 SER A 759 -15.884 7.806 30.287 1.00 25.79 H new ATOM 0 HB3 SER A 759 -14.890 6.941 31.123 1.00 25.79 H new ATOM 0 HG SER A 759 -14.831 8.475 32.611 1.00 25.51 H new ATOM 718 N ARG A 760 -13.438 8.351 27.700 1.00 24.62 N ATOM 719 CA ARG A 760 -13.225 7.676 26.422 1.00 24.53 C ATOM 720 C ARG A 760 -11.932 6.866 26.448 1.00 23.33 C ATOM 721 O ARG A 760 -11.782 5.889 25.711 1.00 23.51 O ATOM 722 CB ARG A 760 -13.161 8.699 25.284 1.00 28.39 C ATOM 723 CG ARG A 760 -14.385 9.599 25.181 1.00 33.67 C ATOM 724 CD ARG A 760 -14.102 10.799 24.283 1.00 38.88 C ATOM 725 NE ARG A 760 -15.090 11.861 24.458 1.00 43.01 N ATOM 726 CZ ARG A 760 -16.369 11.761 24.110 1.00 44.65 C ATOM 727 NH1 ARG A 760 -16.822 10.642 23.559 1.00 46.37 N ATOM 728 NH2 ARG A 760 -17.196 12.777 24.317 1.00 44.23 N ATOM 0 H ARG A 760 -13.372 9.208 27.668 1.00 24.62 H new ATOM 0 HA ARG A 760 -13.971 7.075 26.273 1.00 24.53 H new ATOM 0 HB2 ARG A 760 -12.374 9.253 25.405 1.00 28.39 H new ATOM 0 HB3 ARG A 760 -13.048 8.227 24.444 1.00 28.39 H new ATOM 0 HG2 ARG A 760 -15.134 9.094 24.827 1.00 33.67 H new ATOM 0 HG3 ARG A 760 -14.642 9.905 26.065 1.00 33.67 H new ATOM 0 HD2 ARG A 760 -13.218 11.146 24.478 1.00 38.88 H new ATOM 0 HD3 ARG A 760 -14.096 10.514 23.356 1.00 38.88 H new ATOM 0 HE ARG A 760 -14.826 12.600 24.810 1.00 43.01 H new ATOM 0 HH11 ARG A 760 -16.288 9.981 23.427 1.00 46.37 H new ATOM 0 HH12 ARG A 760 -17.650 10.578 23.334 1.00 46.37 H new ATOM 0 HH21 ARG A 760 -16.905 13.502 24.677 1.00 44.23 H new ATOM 0 HH22 ARG A 760 -18.023 12.711 24.091 1.00 44.23 H new ATOM 729 N MET A 761 -10.997 7.297 27.292 1.00 20.81 N ATOM 730 CA MET A 761 -9.707 6.633 27.457 1.00 18.42 C ATOM 731 C MET A 761 -9.269 6.799 28.910 1.00 16.94 C ATOM 732 O MET A 761 -9.884 7.556 29.668 1.00 15.35 O ATOM 733 CB MET A 761 -8.649 7.266 26.545 1.00 20.30 C ATOM 734 CG AMET A 761 -8.962 7.168 25.057 0.50 19.79 C ATOM 735 CG BMET A 761 -9.019 7.303 25.072 0.50 24.15 C ATOM 736 SD AMET A 761 -7.692 7.931 24.027 0.50 19.19 S ATOM 737 SD BMET A 761 -9.407 8.972 24.519 0.50 29.76 S ATOM 738 CE AMET A 761 -8.246 9.642 24.015 0.50 21.43 C ATOM 739 CE BMET A 761 -7.774 9.526 23.995 0.50 28.47 C ATOM 0 H MET A 761 -11.096 7.991 27.790 1.00 20.81 H new ATOM 0 HA MET A 761 -9.797 5.696 27.223 1.00 18.42 H new ATOM 0 HB2AMET A 761 -8.550 8.201 26.783 0.50 20.30 H new ATOM 0 HB2BMET A 761 -8.481 8.173 26.846 0.50 20.30 H new ATOM 0 HB3AMET A 761 -7.795 6.839 26.714 0.50 20.30 H new ATOM 0 HB3BMET A 761 -7.818 6.775 26.645 0.50 20.30 H new ATOM 0 HG2AMET A 761 -9.055 6.234 24.811 0.50 24.15 H new ATOM 0 HG2BMET A 761 -8.284 6.951 24.545 0.50 24.15 H new ATOM 0 HG3AMET A 761 -9.815 7.594 24.881 0.50 24.15 H new ATOM 0 HG3BMET A 761 -9.782 6.725 24.916 0.50 24.15 H new ATOM 0 HE1AMET A 761 -7.636 10.176 23.482 0.50 28.47 H new ATOM 0 HE1BMET A 761 -7.607 10.416 24.342 0.50 28.47 H new ATOM 0 HE2AMET A 761 -9.136 9.691 23.633 0.50 28.47 H new ATOM 0 HE2BMET A 761 -7.101 8.916 24.335 0.50 28.47 H new ATOM 0 HE3AMET A 761 -8.265 9.983 24.923 0.50 28.47 H new ATOM 0 HE3BMET A 761 -7.734 9.544 23.026 0.50 28.47 H new ATOM 740 N LEU A 762 -8.223 6.080 29.306 1.00 13.97 N ATOM 741 CA LEU A 762 -7.710 6.204 30.665 1.00 13.85 C ATOM 742 C LEU A 762 -6.632 7.277 30.630 1.00 13.46 C ATOM 743 O LEU A 762 -5.604 7.120 29.961 1.00 14.60 O ATOM 744 CB LEU A 762 -7.130 4.876 31.160 1.00 14.78 C ATOM 745 CG LEU A 762 -8.148 3.751 31.383 1.00 14.10 C ATOM 746 CD1 LEU A 762 -7.438 2.525 31.936 1.00 16.21 C ATOM 747 CD2 LEU A 762 -9.228 4.211 32.351 1.00 15.61 C ATOM 0 H LEU A 762 -7.800 5.520 28.809 1.00 13.97 H new ATOM 0 HA LEU A 762 -8.423 6.443 31.278 1.00 13.85 H new ATOM 0 HB2 LEU A 762 -6.470 4.571 30.518 1.00 14.78 H new ATOM 0 HB3 LEU A 762 -6.662 5.037 31.994 1.00 14.78 H new ATOM 0 HG LEU A 762 -8.565 3.523 30.537 1.00 14.10 H new ATOM 0 HD11 LEU A 762 -8.082 1.814 32.077 1.00 16.21 H new ATOM 0 HD12 LEU A 762 -6.763 2.229 31.305 1.00 16.21 H new ATOM 0 HD13 LEU A 762 -7.015 2.749 32.780 1.00 16.21 H new ATOM 0 HD21 LEU A 762 -9.868 3.495 32.487 1.00 15.61 H new ATOM 0 HD22 LEU A 762 -8.823 4.447 33.200 1.00 15.61 H new ATOM 0 HD23 LEU A 762 -9.683 4.985 31.984 1.00 15.61 H new ATOM 748 N TYR A 763 -6.885 8.370 31.345 1.00 12.51 N ATOM 749 CA TYR A 763 -5.975 9.510 31.397 1.00 13.31 C ATOM 750 C TYR A 763 -5.015 9.407 32.590 1.00 12.05 C ATOM 751 O TYR A 763 -5.172 10.095 33.601 1.00 12.71 O ATOM 752 CB TYR A 763 -6.817 10.793 31.467 1.00 12.11 C ATOM 753 CG TYR A 763 -6.104 12.079 31.106 1.00 13.58 C ATOM 754 CD1 TYR A 763 -5.343 12.767 32.050 1.00 17.32 C ATOM 755 CD2 TYR A 763 -6.239 12.637 29.836 1.00 17.22 C ATOM 756 CE1 TYR A 763 -4.743 13.985 31.740 1.00 19.07 C ATOM 757 CE2 TYR A 763 -5.640 13.855 29.515 1.00 17.43 C ATOM 758 CZ TYR A 763 -4.898 14.523 30.474 1.00 17.81 C ATOM 759 OH TYR A 763 -4.331 15.743 30.178 1.00 21.79 O ATOM 0 H TYR A 763 -7.596 8.471 31.818 1.00 12.51 H new ATOM 0 HA TYR A 763 -5.422 9.523 30.600 1.00 13.31 H new ATOM 0 HB2 TYR A 763 -7.579 10.690 30.876 1.00 12.11 H new ATOM 0 HB3 TYR A 763 -7.166 10.880 32.368 1.00 12.11 H new ATOM 0 HD1 TYR A 763 -5.234 12.407 32.900 1.00 17.32 H new ATOM 0 HD2 TYR A 763 -6.737 12.189 29.191 1.00 17.22 H new ATOM 0 HE1 TYR A 763 -4.241 14.435 32.380 1.00 19.07 H new ATOM 0 HE2 TYR A 763 -5.738 14.216 28.663 1.00 17.43 H new ATOM 0 HH TYR A 763 -4.660 16.039 29.464 1.00 21.79 H new ATOM 760 N PHE A 764 -4.022 8.530 32.473 1.00 12.30 N ATOM 761 CA PHE A 764 -3.051 8.360 33.549 1.00 11.53 C ATOM 762 C PHE A 764 -2.305 9.675 33.742 1.00 12.78 C ATOM 763 O PHE A 764 -2.069 10.113 34.869 1.00 12.92 O ATOM 764 CB PHE A 764 -2.073 7.231 33.202 1.00 12.44 C ATOM 765 CG PHE A 764 -2.695 5.857 33.230 1.00 12.86 C ATOM 766 CD1 PHE A 764 -3.002 5.242 34.444 1.00 10.90 C ATOM 767 CD2 PHE A 764 -2.970 5.177 32.045 1.00 13.32 C ATOM 768 CE1 PHE A 764 -3.573 3.968 34.477 1.00 12.32 C ATOM 769 CE2 PHE A 764 -3.542 3.900 32.066 1.00 12.52 C ATOM 770 CZ PHE A 764 -3.842 3.296 33.282 1.00 12.58 C ATOM 0 H PHE A 764 -3.893 8.029 31.786 1.00 12.30 H new ATOM 0 HA PHE A 764 -3.505 8.121 34.372 1.00 11.53 H new ATOM 0 HB2 PHE A 764 -1.706 7.393 32.319 1.00 12.44 H new ATOM 0 HB3 PHE A 764 -1.331 7.254 33.826 1.00 12.44 H new ATOM 0 HD1 PHE A 764 -2.824 5.686 35.242 1.00 10.90 H new ATOM 0 HD2 PHE A 764 -2.771 5.577 31.229 1.00 13.32 H new ATOM 0 HE1 PHE A 764 -3.774 3.568 35.292 1.00 12.32 H new ATOM 0 HE2 PHE A 764 -3.721 3.456 31.269 1.00 12.52 H new ATOM 0 HZ PHE A 764 -4.221 2.447 33.300 1.00 12.58 H new ATOM 771 N ALA A 765 -1.942 10.298 32.625 1.00 12.05 N ATOM 772 CA ALA A 765 -1.242 11.577 32.631 1.00 11.73 C ATOM 773 C ALA A 765 -1.446 12.196 31.254 1.00 12.41 C ATOM 774 O ALA A 765 -1.821 11.504 30.305 1.00 13.65 O ATOM 775 CB ALA A 765 0.248 11.368 32.905 1.00 13.24 C ATOM 0 H ALA A 765 -2.096 9.988 31.838 1.00 12.05 H new ATOM 0 HA ALA A 765 -1.586 12.158 33.328 1.00 11.73 H new ATOM 0 HB1 ALA A 765 0.700 12.226 32.906 1.00 13.24 H new ATOM 0 HB2 ALA A 765 0.362 10.942 33.769 1.00 13.24 H new ATOM 0 HB3 ALA A 765 0.628 10.803 32.214 1.00 13.24 H new ATOM 776 N PRO A 766 -1.214 13.508 31.126 1.00 13.04 N ATOM 777 CA PRO A 766 -1.395 14.151 29.823 1.00 14.25 C ATOM 778 C PRO A 766 -0.561 13.497 28.722 1.00 15.05 C ATOM 779 O PRO A 766 -0.953 13.505 27.554 1.00 15.10 O ATOM 780 CB PRO A 766 -1.002 15.607 30.094 1.00 17.13 C ATOM 781 CG PRO A 766 -0.117 15.527 31.306 1.00 19.18 C ATOM 782 CD PRO A 766 -0.785 14.479 32.145 1.00 14.33 C ATOM 0 HA PRO A 766 -2.300 14.070 29.484 1.00 14.25 H new ATOM 0 HB2 PRO A 766 -0.534 15.995 29.338 1.00 17.13 H new ATOM 0 HB3 PRO A 766 -1.781 16.160 30.260 1.00 17.13 H new ATOM 0 HG2 PRO A 766 0.790 15.275 31.072 1.00 19.18 H new ATOM 0 HG3 PRO A 766 -0.065 16.378 31.769 1.00 19.18 H new ATOM 0 HD2 PRO A 766 -0.176 14.086 32.789 1.00 14.33 H new ATOM 0 HD3 PRO A 766 -1.535 14.837 32.646 1.00 14.33 H new ATOM 783 N ASP A 767 0.573 12.916 29.108 1.00 13.82 N ATOM 784 CA ASP A 767 1.466 12.256 28.162 1.00 15.64 C ATOM 785 C ASP A 767 1.403 10.732 28.267 1.00 14.86 C ATOM 786 O ASP A 767 2.300 10.023 27.801 1.00 13.81 O ATOM 787 CB ASP A 767 2.905 12.736 28.383 1.00 13.44 C ATOM 788 CG ASP A 767 3.449 12.347 29.746 1.00 17.26 C ATOM 789 OD1 ASP A 767 2.645 12.165 30.687 1.00 13.74 O ATOM 790 OD2 ASP A 767 4.690 12.236 29.877 1.00 17.76 O ATOM 0 H ASP A 767 0.845 12.894 29.924 1.00 13.82 H new ATOM 0 HA ASP A 767 1.170 12.496 27.270 1.00 15.64 H new ATOM 0 HB2 ASP A 767 3.476 12.364 27.693 1.00 13.44 H new ATOM 0 HB3 ASP A 767 2.938 13.701 28.289 1.00 13.44 H new ATOM 791 N LEU A 768 0.348 10.228 28.894 1.00 14.01 N ATOM 792 CA LEU A 768 0.180 8.787 29.021 1.00 13.65 C ATOM 793 C LEU A 768 -1.309 8.479 29.070 1.00 14.90 C ATOM 794 O LEU A 768 -1.873 8.236 30.138 1.00 14.22 O ATOM 795 CB LEU A 768 0.881 8.261 30.281 1.00 14.40 C ATOM 796 CG LEU A 768 1.009 6.733 30.358 1.00 14.71 C ATOM 797 CD1 LEU A 768 1.832 6.225 29.182 1.00 16.07 C ATOM 798 CD2 LEU A 768 1.669 6.335 31.667 1.00 15.66 C ATOM 0 H LEU A 768 -0.277 10.698 29.250 1.00 14.01 H new ATOM 0 HA LEU A 768 0.585 8.345 28.259 1.00 13.65 H new ATOM 0 HB2 LEU A 768 1.768 8.650 30.328 1.00 14.40 H new ATOM 0 HB3 LEU A 768 0.394 8.572 31.060 1.00 14.40 H new ATOM 0 HG LEU A 768 0.125 6.337 30.319 1.00 14.71 H new ATOM 0 HD11 LEU A 768 1.910 5.260 29.235 1.00 16.07 H new ATOM 0 HD12 LEU A 768 1.394 6.469 28.351 1.00 16.07 H new ATOM 0 HD13 LEU A 768 2.716 6.623 29.210 1.00 16.07 H new ATOM 0 HD21 LEU A 768 1.747 5.369 31.710 1.00 15.66 H new ATOM 0 HD22 LEU A 768 2.552 6.733 31.718 1.00 15.66 H new ATOM 0 HD23 LEU A 768 1.130 6.649 32.410 1.00 15.66 H new ATOM 799 N VAL A 769 -1.934 8.510 27.897 1.00 14.70 N ATOM 800 CA VAL A 769 -3.364 8.249 27.756 1.00 15.46 C ATOM 801 C VAL A 769 -3.529 6.902 27.061 1.00 15.58 C ATOM 802 O VAL A 769 -2.966 6.675 25.992 1.00 16.15 O ATOM 803 CB VAL A 769 -4.037 9.359 26.921 1.00 16.59 C ATOM 804 CG1 VAL A 769 -5.531 9.104 26.815 1.00 18.95 C ATOM 805 CG2 VAL A 769 -3.765 10.721 27.559 1.00 18.63 C ATOM 0 H VAL A 769 -1.537 8.684 27.154 1.00 14.70 H new ATOM 0 HA VAL A 769 -3.786 8.235 28.629 1.00 15.46 H new ATOM 0 HB VAL A 769 -3.665 9.355 26.025 1.00 16.59 H new ATOM 0 HG11 VAL A 769 -5.943 9.807 26.289 1.00 18.95 H new ATOM 0 HG12 VAL A 769 -5.684 8.248 26.386 1.00 18.95 H new ATOM 0 HG13 VAL A 769 -5.922 9.094 27.703 1.00 18.95 H new ATOM 0 HG21 VAL A 769 -4.189 11.416 27.032 1.00 18.63 H new ATOM 0 HG22 VAL A 769 -4.124 10.734 28.460 1.00 18.63 H new ATOM 0 HG23 VAL A 769 -2.808 10.878 27.591 1.00 18.63 H new ATOM 806 N PHE A 770 -4.306 6.014 27.677 1.00 14.74 N ATOM 807 CA PHE A 770 -4.529 4.670 27.156 1.00 14.39 C ATOM 808 C PHE A 770 -5.827 4.448 26.392 1.00 14.91 C ATOM 809 O PHE A 770 -6.910 4.597 26.964 1.00 15.09 O ATOM 810 CB PHE A 770 -4.532 3.655 28.311 1.00 13.63 C ATOM 811 CG PHE A 770 -3.169 3.138 28.710 1.00 12.95 C ATOM 812 CD1 PHE A 770 -2.043 3.953 28.667 1.00 15.77 C ATOM 813 CD2 PHE A 770 -3.039 1.840 29.204 1.00 14.87 C ATOM 814 CE1 PHE A 770 -0.805 3.486 29.113 1.00 16.04 C ATOM 815 CE2 PHE A 770 -1.808 1.359 29.654 1.00 16.08 C ATOM 816 CZ PHE A 770 -0.687 2.185 29.610 1.00 15.08 C ATOM 0 H PHE A 770 -4.720 6.176 28.413 1.00 14.74 H new ATOM 0 HA PHE A 770 -3.801 4.550 26.527 1.00 14.39 H new ATOM 0 HB2 PHE A 770 -4.946 4.067 29.085 1.00 13.63 H new ATOM 0 HB3 PHE A 770 -5.088 2.901 28.060 1.00 13.63 H new ATOM 0 HD1 PHE A 770 -2.115 4.820 28.337 1.00 15.77 H new ATOM 0 HD2 PHE A 770 -3.785 1.286 29.234 1.00 14.87 H new ATOM 0 HE1 PHE A 770 -0.059 4.040 29.079 1.00 16.04 H new ATOM 0 HE2 PHE A 770 -1.737 0.491 29.982 1.00 16.08 H new ATOM 0 HZ PHE A 770 0.136 1.872 29.910 1.00 15.08 H new ATOM 817 N ASN A 771 -5.726 4.096 25.111 1.00 16.06 N ATOM 818 CA ASN A 771 -6.921 3.733 24.351 1.00 15.77 C ATOM 819 C ASN A 771 -6.984 2.215 24.571 1.00 16.74 C ATOM 820 O ASN A 771 -6.140 1.674 25.287 1.00 15.56 O ATOM 821 CB ASN A 771 -6.799 4.067 22.852 1.00 16.26 C ATOM 822 CG ASN A 771 -5.478 3.630 22.239 1.00 15.23 C ATOM 823 OD1 ASN A 771 -4.832 2.690 22.703 1.00 15.41 O ATOM 824 ND2 ASN A 771 -5.084 4.309 21.163 1.00 15.36 N ATOM 0 H ASN A 771 -4.989 4.061 24.670 1.00 16.06 H new ATOM 0 HA ASN A 771 -7.711 4.217 24.637 1.00 15.77 H new ATOM 0 HB2 ASN A 771 -7.527 3.641 22.373 1.00 16.26 H new ATOM 0 HB3 ASN A 771 -6.902 5.024 22.732 1.00 16.26 H new ATOM 0 HD21 ASN A 771 -4.352 4.096 20.764 1.00 15.36 H new ATOM 0 HD22 ASN A 771 -5.561 4.960 20.867 1.00 15.36 H new ATOM 825 N GLU A 772 -7.959 1.521 23.982 1.00 16.37 N ATOM 826 CA GLU A 772 -8.066 0.074 24.190 1.00 18.66 C ATOM 827 C GLU A 772 -6.842 -0.697 23.704 1.00 17.71 C ATOM 828 O GLU A 772 -6.470 -1.713 24.292 1.00 17.41 O ATOM 829 CB GLU A 772 -9.318 -0.493 23.507 1.00 19.90 C ATOM 830 CG GLU A 772 -10.647 0.021 24.057 1.00 24.66 C ATOM 831 CD GLU A 772 -11.470 -1.052 24.765 1.00 25.33 C ATOM 832 OE1 GLU A 772 -11.476 -2.223 24.317 1.00 24.54 O ATOM 833 OE2 GLU A 772 -12.134 -0.715 25.765 1.00 29.52 O ATOM 0 H GLU A 772 -8.559 1.860 23.467 1.00 16.37 H new ATOM 0 HA GLU A 772 -8.129 -0.045 25.151 1.00 18.66 H new ATOM 0 HB2 GLU A 772 -9.274 -0.286 22.560 1.00 19.90 H new ATOM 0 HB3 GLU A 772 -9.303 -1.460 23.587 1.00 19.90 H new ATOM 0 HG2 GLU A 772 -10.473 0.746 24.677 1.00 24.66 H new ATOM 0 HG3 GLU A 772 -11.169 0.390 23.328 1.00 24.66 H new ATOM 834 N TYR A 773 -6.219 -0.225 22.626 1.00 16.59 N ATOM 835 CA TYR A 773 -5.038 -0.896 22.103 1.00 16.74 C ATOM 836 C TYR A 773 -3.932 -0.900 23.159 1.00 16.43 C ATOM 837 O TYR A 773 -3.253 -1.908 23.354 1.00 15.65 O ATOM 838 CB TYR A 773 -4.537 -0.204 20.833 1.00 19.03 C ATOM 839 CG TYR A 773 -3.294 -0.852 20.263 1.00 19.22 C ATOM 840 CD1 TYR A 773 -3.348 -2.121 19.681 1.00 21.11 C ATOM 841 CD2 TYR A 773 -2.058 -0.212 20.335 1.00 23.37 C ATOM 842 CE1 TYR A 773 -2.196 -2.738 19.186 1.00 22.66 C ATOM 843 CE2 TYR A 773 -0.901 -0.818 19.844 1.00 24.07 C ATOM 844 CZ TYR A 773 -0.978 -2.079 19.272 1.00 23.85 C ATOM 845 OH TYR A 773 0.165 -2.683 18.792 1.00 27.27 O ATOM 0 H TYR A 773 -6.463 0.474 22.189 1.00 16.59 H new ATOM 0 HA TYR A 773 -5.278 -1.810 21.882 1.00 16.74 H new ATOM 0 HB2 TYR A 773 -5.239 -0.217 20.164 1.00 19.03 H new ATOM 0 HB3 TYR A 773 -4.350 0.727 21.030 1.00 19.03 H new ATOM 0 HD1 TYR A 773 -4.164 -2.563 19.622 1.00 21.11 H new ATOM 0 HD2 TYR A 773 -2.003 0.634 20.717 1.00 23.37 H new ATOM 0 HE1 TYR A 773 -2.245 -3.584 18.802 1.00 22.66 H new ATOM 0 HE2 TYR A 773 -0.083 -0.379 19.900 1.00 24.07 H new ATOM 0 HH TYR A 773 0.822 -2.173 18.908 1.00 27.27 H new ATOM 846 N ARG A 774 -3.750 0.230 23.837 1.00 16.12 N ATOM 847 CA ARG A 774 -2.732 0.314 24.877 1.00 15.89 C ATOM 848 C ARG A 774 -3.121 -0.523 26.090 1.00 15.87 C ATOM 849 O ARG A 774 -2.263 -1.122 26.738 1.00 16.03 O ATOM 850 CB ARG A 774 -2.492 1.771 25.279 1.00 16.43 C ATOM 851 CG ARG A 774 -1.572 2.491 24.313 1.00 17.12 C ATOM 852 CD ARG A 774 -1.224 3.888 24.791 1.00 15.67 C ATOM 853 NE ARG A 774 -0.081 4.417 24.054 1.00 18.29 N ATOM 854 CZ ARG A 774 0.396 5.648 24.200 1.00 18.67 C ATOM 855 NH1 ARG A 774 -0.176 6.483 25.056 1.00 17.55 N ATOM 856 NH2 ARG A 774 1.448 6.040 23.494 1.00 18.34 N ATOM 0 H ARG A 774 -4.201 0.952 23.712 1.00 16.12 H new ATOM 0 HA ARG A 774 -1.905 -0.044 24.519 1.00 15.89 H new ATOM 0 HB2 ARG A 774 -3.342 2.237 25.321 1.00 16.43 H new ATOM 0 HB3 ARG A 774 -2.109 1.800 26.170 1.00 16.43 H new ATOM 0 HG2 ARG A 774 -0.757 1.977 24.200 1.00 17.12 H new ATOM 0 HG3 ARG A 774 -1.997 2.545 23.443 1.00 17.12 H new ATOM 0 HD2 ARG A 774 -1.988 4.474 24.675 1.00 15.67 H new ATOM 0 HD3 ARG A 774 -1.022 3.869 25.740 1.00 15.67 H new ATOM 0 HE ARG A 774 0.309 3.899 23.489 1.00 18.29 H new ATOM 0 HH11 ARG A 774 -0.856 6.228 25.517 1.00 17.55 H new ATOM 0 HH12 ARG A 774 0.133 7.280 25.151 1.00 17.55 H new ATOM 0 HH21 ARG A 774 1.822 5.497 22.941 1.00 18.34 H new ATOM 0 HH22 ARG A 774 1.757 6.837 23.589 1.00 18.34 H new ATOM 857 N MET A 775 -4.414 -0.574 26.393 1.00 16.16 N ATOM 858 CA MET A 775 -4.883 -1.381 27.515 1.00 18.31 C ATOM 859 C MET A 775 -4.482 -2.828 27.246 1.00 18.34 C ATOM 860 O MET A 775 -4.020 -3.534 28.141 1.00 19.80 O ATOM 861 CB MET A 775 -6.403 -1.294 27.647 1.00 17.72 C ATOM 862 CG MET A 775 -6.916 0.061 28.073 1.00 17.53 C ATOM 863 SD MET A 775 -8.712 0.092 28.176 1.00 19.54 S ATOM 864 CE MET A 775 -9.025 1.819 28.012 1.00 19.20 C ATOM 0 H MET A 775 -5.031 -0.153 25.966 1.00 16.16 H new ATOM 0 HA MET A 775 -4.489 -1.056 28.340 1.00 18.31 H new ATOM 0 HB2 MET A 775 -6.804 -1.526 26.795 1.00 17.72 H new ATOM 0 HB3 MET A 775 -6.699 -1.957 28.290 1.00 17.72 H new ATOM 0 HG2 MET A 775 -6.538 0.293 28.936 1.00 17.53 H new ATOM 0 HG3 MET A 775 -6.616 0.734 27.442 1.00 17.53 H new ATOM 0 HE1 MET A 775 -9.540 2.128 28.773 1.00 19.20 H new ATOM 0 HE2 MET A 775 -8.183 2.299 27.976 1.00 19.20 H new ATOM 0 HE3 MET A 775 -9.525 1.982 27.197 1.00 19.20 H new ATOM 865 N HIS A 776 -4.660 -3.256 26.000 1.00 19.08 N ATOM 866 CA HIS A 776 -4.311 -4.611 25.592 1.00 19.17 C ATOM 867 C HIS A 776 -2.802 -4.834 25.669 1.00 18.83 C ATOM 868 O HIS A 776 -2.340 -5.840 26.208 1.00 18.22 O ATOM 869 CB HIS A 776 -4.780 -4.863 24.159 1.00 20.05 C ATOM 870 CG HIS A 776 -4.419 -6.218 23.633 1.00 19.19 C ATOM 871 ND1 HIS A 776 -5.232 -7.321 23.790 1.00 22.17 N ATOM 872 CD2 HIS A 776 -3.330 -6.647 22.954 1.00 18.17 C ATOM 873 CE1 HIS A 776 -4.660 -8.370 23.227 1.00 17.79 C ATOM 874 NE2 HIS A 776 -3.505 -7.989 22.712 1.00 23.00 N ATOM 0 H HIS A 776 -4.986 -2.770 25.370 1.00 19.08 H new ATOM 0 HA HIS A 776 -4.751 -5.228 26.197 1.00 19.17 H new ATOM 0 HB2 HIS A 776 -5.743 -4.756 24.120 1.00 20.05 H new ATOM 0 HB3 HIS A 776 -4.396 -4.187 23.579 1.00 20.05 H new ATOM 0 HD1 HIS A 776 -5.992 -7.325 24.192 1.00 22.17 H new ATOM 0 HD2 HIS A 776 -2.600 -6.131 22.699 1.00 18.17 H new ATOM 0 HE1 HIS A 776 -5.011 -9.231 23.198 1.00 17.79 H new ATOM 875 N LYS A 777 -2.041 -3.892 25.118 1.00 19.25 N ATOM 876 CA LYS A 777 -0.586 -3.983 25.105 1.00 19.37 C ATOM 877 C LYS A 777 0.023 -4.025 26.507 1.00 19.99 C ATOM 878 O LYS A 777 1.076 -4.640 26.717 1.00 19.10 O ATOM 879 CB LYS A 777 0.003 -2.800 24.331 1.00 22.37 C ATOM 880 CG LYS A 777 1.528 -2.777 24.289 1.00 23.82 C ATOM 881 CD LYS A 777 2.089 -3.872 23.397 1.00 27.71 C ATOM 882 CE LYS A 777 1.845 -3.567 21.930 1.00 29.81 C ATOM 883 NZ LYS A 777 2.448 -4.602 21.049 1.00 33.17 N ATOM 0 H LYS A 777 -2.354 -3.184 24.742 1.00 19.25 H new ATOM 0 HA LYS A 777 -0.363 -4.820 24.669 1.00 19.37 H new ATOM 0 HB2 LYS A 777 -0.335 -2.821 23.422 1.00 22.37 H new ATOM 0 HB3 LYS A 777 -0.312 -1.975 24.732 1.00 22.37 H new ATOM 0 HG2 LYS A 777 1.829 -1.913 23.967 1.00 23.82 H new ATOM 0 HG3 LYS A 777 1.877 -2.882 25.188 1.00 23.82 H new ATOM 0 HD2 LYS A 777 3.041 -3.966 23.556 1.00 27.71 H new ATOM 0 HD3 LYS A 777 1.678 -4.721 23.626 1.00 27.71 H new ATOM 0 HE2 LYS A 777 0.891 -3.515 21.764 1.00 29.81 H new ATOM 0 HE3 LYS A 777 2.218 -2.698 21.713 1.00 29.81 H new ATOM 0 HZ1 LYS A 777 2.289 -4.397 20.198 1.00 33.17 H new ATOM 0 HZ2 LYS A 777 3.327 -4.634 21.187 1.00 33.17 H new ATOM 0 HZ3 LYS A 777 2.090 -5.395 21.234 1.00 33.17 H new ATOM 884 N SER A 778 -0.642 -3.374 27.457 1.00 17.28 N ATOM 885 CA SER A 778 -0.169 -3.313 28.842 1.00 17.11 C ATOM 886 C SER A 778 -0.291 -4.638 29.591 1.00 18.21 C ATOM 887 O SER A 778 0.279 -4.799 30.667 1.00 17.10 O ATOM 888 CB SER A 778 -0.947 -2.241 29.609 1.00 17.80 C ATOM 889 OG SER A 778 -2.272 -2.673 29.879 1.00 17.25 O ATOM 0 H SER A 778 -1.380 -2.955 27.319 1.00 17.28 H new ATOM 0 HA SER A 778 0.775 -3.096 28.794 1.00 17.11 H new ATOM 0 HB2 SER A 778 -0.492 -2.040 30.442 1.00 17.80 H new ATOM 0 HB3 SER A 778 -0.969 -1.420 29.092 1.00 17.80 H new ATOM 0 HG SER A 778 -2.648 -2.890 29.160 1.00 17.25 H new ATOM 890 N ARG A 779 -1.053 -5.571 29.026 1.00 18.81 N ATOM 891 CA ARG A 779 -1.275 -6.885 29.624 1.00 20.02 C ATOM 892 C ARG A 779 -2.157 -6.866 30.876 1.00 20.37 C ATOM 893 O ARG A 779 -2.208 -7.840 31.626 1.00 19.83 O ATOM 894 CB ARG A 779 0.065 -7.573 29.921 1.00 21.31 C ATOM 895 CG ARG A 779 0.885 -7.846 28.668 1.00 23.89 C ATOM 896 CD ARG A 779 2.200 -8.547 28.983 1.00 25.82 C ATOM 897 NE ARG A 779 3.071 -8.601 27.813 1.00 28.65 N ATOM 898 CZ ARG A 779 4.328 -9.038 27.833 1.00 28.94 C ATOM 899 NH1 ARG A 779 4.867 -9.463 28.967 1.00 30.14 N ATOM 900 NH2 ARG A 779 5.048 -9.040 26.720 1.00 30.88 N ATOM 0 H ARG A 779 -1.460 -5.458 28.277 1.00 18.81 H new ATOM 0 HA ARG A 779 -1.769 -7.395 28.963 1.00 20.02 H new ATOM 0 HB2 ARG A 779 0.582 -7.016 30.524 1.00 21.31 H new ATOM 0 HB3 ARG A 779 -0.102 -8.411 30.381 1.00 21.31 H new ATOM 0 HG2 ARG A 779 0.367 -8.393 28.057 1.00 23.89 H new ATOM 0 HG3 ARG A 779 1.067 -7.009 28.214 1.00 23.89 H new ATOM 0 HD2 ARG A 779 2.652 -8.080 29.703 1.00 25.82 H new ATOM 0 HD3 ARG A 779 2.021 -9.447 29.296 1.00 25.82 H new ATOM 0 HE ARG A 779 2.751 -8.333 27.061 1.00 28.65 H new ATOM 0 HH11 ARG A 779 4.404 -9.457 29.692 1.00 30.14 H new ATOM 0 HH12 ARG A 779 5.679 -9.745 28.978 1.00 30.14 H new ATOM 0 HH21 ARG A 779 4.703 -8.759 25.984 1.00 30.88 H new ATOM 0 HH22 ARG A 779 5.860 -9.323 26.734 1.00 30.88 H new ATOM 901 N MET A 780 -2.833 -5.746 31.114 1.00 20.47 N ATOM 902 CA MET A 780 -3.765 -5.639 32.236 1.00 20.71 C ATOM 903 C MET A 780 -5.039 -5.021 31.672 1.00 19.70 C ATOM 904 O MET A 780 -5.603 -4.067 32.204 1.00 18.01 O ATOM 905 CB MET A 780 -3.182 -4.810 33.396 1.00 22.97 C ATOM 906 CG AMET A 780 -2.540 -3.496 32.993 0.50 23.69 C ATOM 907 CG BMET A 780 -2.557 -3.485 33.005 0.50 23.30 C ATOM 908 SD AMET A 780 -1.921 -2.600 34.443 0.50 27.75 S ATOM 909 SD BMET A 780 -1.913 -2.614 34.461 0.50 27.02 S ATOM 910 CE AMET A 780 -3.251 -1.451 34.709 0.50 25.04 C ATOM 911 CE BMET A 780 -1.615 -0.996 33.767 0.50 23.88 C ATOM 0 H MET A 780 -2.767 -5.034 30.637 1.00 20.47 H new ATOM 0 HA MET A 780 -3.945 -6.511 32.621 1.00 20.71 H new ATOM 0 HB2AMET A 780 -3.892 -4.625 34.031 0.50 22.97 H new ATOM 0 HB2BMET A 780 -3.889 -4.639 34.037 0.50 22.97 H new ATOM 0 HB3AMET A 780 -2.521 -5.348 33.858 0.50 22.97 H new ATOM 0 HB3BMET A 780 -2.511 -5.344 33.849 0.50 22.97 H new ATOM 0 HG2AMET A 780 -1.810 -3.665 32.377 0.50 23.30 H new ATOM 0 HG2BMET A 780 -1.839 -3.637 32.371 0.50 23.30 H new ATOM 0 HG3AMET A 780 -3.187 -2.948 32.522 0.50 23.30 H new ATOM 0 HG3BMET A 780 -3.217 -2.932 32.559 0.50 23.30 H new ATOM 0 HE1AMET A 780 -3.055 -0.903 35.485 0.50 23.88 H new ATOM 0 HE1BMET A 780 -1.474 -0.357 34.483 0.50 23.88 H new ATOM 0 HE2AMET A 780 -3.349 -0.883 33.929 0.50 23.88 H new ATOM 0 HE2BMET A 780 -0.828 -1.026 33.201 0.50 23.88 H new ATOM 0 HE3AMET A 780 -4.076 -1.939 34.858 0.50 23.88 H new ATOM 0 HE3BMET A 780 -2.382 -0.724 33.239 0.50 23.88 H new ATOM 912 N TYR A 781 -5.480 -5.616 30.571 1.00 19.25 N ATOM 913 CA TYR A 781 -6.662 -5.190 29.841 1.00 18.79 C ATOM 914 C TYR A 781 -7.918 -5.195 30.720 1.00 18.99 C ATOM 915 O TYR A 781 -8.600 -4.176 30.841 1.00 17.60 O ATOM 916 CB TYR A 781 -6.832 -6.111 28.627 1.00 19.67 C ATOM 917 CG TYR A 781 -7.524 -5.516 27.416 1.00 23.00 C ATOM 918 CD1 TYR A 781 -7.458 -6.165 26.180 1.00 23.15 C ATOM 919 CD2 TYR A 781 -8.269 -4.339 27.500 1.00 22.04 C ATOM 920 CE1 TYR A 781 -8.114 -5.664 25.060 1.00 23.30 C ATOM 921 CE2 TYR A 781 -8.936 -3.825 26.376 1.00 22.92 C ATOM 922 CZ TYR A 781 -8.850 -4.498 25.161 1.00 24.43 C ATOM 923 OH TYR A 781 -9.498 -4.022 24.043 1.00 24.71 O ATOM 0 H TYR A 781 -5.089 -6.297 30.220 1.00 19.25 H new ATOM 0 HA TYR A 781 -6.543 -4.272 29.550 1.00 18.79 H new ATOM 0 HB2 TYR A 781 -5.953 -6.418 28.354 1.00 19.67 H new ATOM 0 HB3 TYR A 781 -7.331 -6.894 28.908 1.00 19.67 H new ATOM 0 HD1 TYR A 781 -6.964 -6.950 26.104 1.00 23.15 H new ATOM 0 HD2 TYR A 781 -8.325 -3.889 28.312 1.00 22.04 H new ATOM 0 HE1 TYR A 781 -8.058 -6.112 24.247 1.00 23.30 H new ATOM 0 HE2 TYR A 781 -9.431 -3.041 26.443 1.00 22.92 H new ATOM 0 HH TYR A 781 -10.082 -3.464 24.274 1.00 24.71 H new ATOM 924 N SER A 782 -8.217 -6.331 31.345 1.00 17.88 N ATOM 925 CA SER A 782 -9.403 -6.424 32.190 1.00 20.76 C ATOM 926 C SER A 782 -9.383 -5.393 33.318 1.00 19.54 C ATOM 927 O SER A 782 -10.412 -4.797 33.639 1.00 19.14 O ATOM 928 CB SER A 782 -9.546 -7.840 32.766 1.00 22.03 C ATOM 929 OG SER A 782 -8.444 -8.182 33.587 1.00 27.24 O ATOM 0 H SER A 782 -7.751 -7.052 31.294 1.00 17.88 H new ATOM 0 HA SER A 782 -10.171 -6.231 31.630 1.00 20.76 H new ATOM 0 HB2 SER A 782 -10.365 -7.899 33.282 1.00 22.03 H new ATOM 0 HB3 SER A 782 -9.621 -8.479 32.040 1.00 22.03 H new ATOM 0 HG SER A 782 -7.832 -7.616 33.484 1.00 27.24 H new ATOM 930 N GLN A 783 -8.214 -5.175 33.916 1.00 18.86 N ATOM 931 CA GLN A 783 -8.108 -4.194 34.991 1.00 18.84 C ATOM 932 C GLN A 783 -8.368 -2.794 34.440 1.00 17.95 C ATOM 933 O GLN A 783 -9.025 -1.972 35.084 1.00 16.87 O ATOM 934 CB GLN A 783 -6.725 -4.254 35.644 1.00 19.44 C ATOM 935 CG GLN A 783 -6.415 -5.592 36.298 1.00 21.75 C ATOM 936 CD GLN A 783 -5.704 -6.557 35.369 1.00 22.09 C ATOM 937 OE1 GLN A 783 -6.027 -6.661 34.185 1.00 23.83 O ATOM 938 NE2 GLN A 783 -4.732 -7.284 35.910 1.00 28.26 N ATOM 0 H GLN A 783 -7.481 -5.578 33.718 1.00 18.86 H new ATOM 0 HA GLN A 783 -8.773 -4.401 35.666 1.00 18.84 H new ATOM 0 HB2 GLN A 783 -6.051 -4.067 34.972 1.00 19.44 H new ATOM 0 HB3 GLN A 783 -6.661 -3.554 36.312 1.00 19.44 H new ATOM 0 HG2 GLN A 783 -5.865 -5.443 37.083 1.00 21.75 H new ATOM 0 HG3 GLN A 783 -7.242 -5.996 36.604 1.00 21.75 H new ATOM 0 HE21 GLN A 783 -4.533 -7.185 36.741 1.00 28.26 H new ATOM 0 HE22 GLN A 783 -4.302 -7.853 35.429 1.00 28.26 H new ATOM 939 N CYS A 784 -7.854 -2.519 33.244 1.00 16.34 N ATOM 940 CA CYS A 784 -8.067 -1.213 32.634 1.00 15.56 C ATOM 941 C CYS A 784 -9.547 -0.996 32.341 1.00 17.18 C ATOM 942 O CYS A 784 -10.068 0.105 32.523 1.00 16.60 O ATOM 943 CB CYS A 784 -7.255 -1.080 31.344 1.00 16.54 C ATOM 944 SG CYS A 784 -5.500 -0.760 31.632 1.00 16.59 S ATOM 0 H CYS A 784 -7.385 -3.067 32.776 1.00 16.34 H new ATOM 0 HA CYS A 784 -7.768 -0.535 33.260 1.00 15.56 H new ATOM 0 HB2 CYS A 784 -7.348 -1.895 30.826 1.00 16.54 H new ATOM 0 HB3 CYS A 784 -7.625 -0.360 30.809 1.00 16.54 H new ATOM 0 HG CYS A 784 -4.931 -0.671 30.579 1.00 16.59 H new ATOM 945 N VAL A 785 -10.229 -2.044 31.892 1.00 17.01 N ATOM 946 CA VAL A 785 -11.653 -1.920 31.594 1.00 16.77 C ATOM 947 C VAL A 785 -12.431 -1.602 32.869 1.00 17.59 C ATOM 948 O VAL A 785 -13.372 -0.805 32.850 1.00 16.36 O ATOM 949 CB VAL A 785 -12.200 -3.208 30.942 1.00 18.32 C ATOM 950 CG1 VAL A 785 -13.713 -3.116 30.777 1.00 17.31 C ATOM 951 CG2 VAL A 785 -11.542 -3.405 29.587 1.00 18.99 C ATOM 0 H VAL A 785 -9.894 -2.824 31.754 1.00 17.01 H new ATOM 0 HA VAL A 785 -11.767 -1.192 30.963 1.00 16.77 H new ATOM 0 HB VAL A 785 -11.997 -3.965 31.514 1.00 18.32 H new ATOM 0 HG11 VAL A 785 -14.044 -3.930 30.367 1.00 17.31 H new ATOM 0 HG12 VAL A 785 -14.127 -3.001 31.647 1.00 17.31 H new ATOM 0 HG13 VAL A 785 -13.932 -2.358 30.212 1.00 17.31 H new ATOM 0 HG21 VAL A 785 -11.884 -4.214 29.175 1.00 18.99 H new ATOM 0 HG22 VAL A 785 -11.739 -2.645 29.018 1.00 18.99 H new ATOM 0 HG23 VAL A 785 -10.582 -3.482 29.701 1.00 18.99 H new ATOM 952 N ARG A 786 -12.031 -2.214 33.979 1.00 17.08 N ATOM 953 CA ARG A 786 -12.695 -1.964 35.251 1.00 17.92 C ATOM 954 C ARG A 786 -12.443 -0.526 35.696 1.00 17.11 C ATOM 955 O ARG A 786 -13.313 0.106 36.294 1.00 17.54 O ATOM 956 CB ARG A 786 -12.203 -2.948 36.321 1.00 19.00 C ATOM 957 CG ARG A 786 -12.559 -4.404 36.028 1.00 24.57 C ATOM 958 CD ARG A 786 -12.224 -5.308 37.210 1.00 27.87 C ATOM 959 NE ARG A 786 -13.084 -5.028 38.356 1.00 32.39 N ATOM 960 CZ ARG A 786 -12.924 -5.551 39.569 1.00 34.84 C ATOM 961 NH1 ARG A 786 -11.926 -6.390 39.812 1.00 35.06 N ATOM 962 NH2 ARG A 786 -13.770 -5.236 40.540 1.00 33.65 N ATOM 0 H ARG A 786 -11.380 -2.775 34.016 1.00 17.08 H new ATOM 0 HA ARG A 786 -13.649 -2.095 35.134 1.00 17.92 H new ATOM 0 HB2 ARG A 786 -11.240 -2.869 36.403 1.00 19.00 H new ATOM 0 HB3 ARG A 786 -12.582 -2.697 37.178 1.00 19.00 H new ATOM 0 HG2 ARG A 786 -13.505 -4.473 35.824 1.00 24.57 H new ATOM 0 HG3 ARG A 786 -12.077 -4.705 35.242 1.00 24.57 H new ATOM 0 HD2 ARG A 786 -12.324 -6.236 36.948 1.00 27.87 H new ATOM 0 HD3 ARG A 786 -11.296 -5.183 37.462 1.00 27.87 H new ATOM 0 HE ARG A 786 -13.741 -4.486 38.239 1.00 32.39 H new ATOM 0 HH11 ARG A 786 -11.377 -6.599 39.184 1.00 35.06 H new ATOM 0 HH12 ARG A 786 -11.828 -6.725 40.598 1.00 35.06 H new ATOM 0 HH21 ARG A 786 -14.420 -4.695 40.385 1.00 33.65 H new ATOM 0 HH22 ARG A 786 -13.669 -5.573 41.325 1.00 33.65 H new ATOM 963 N MET A 787 -11.256 -0.001 35.401 1.00 16.00 N ATOM 964 CA MET A 787 -10.954 1.372 35.778 1.00 15.88 C ATOM 965 C MET A 787 -11.729 2.339 34.876 1.00 16.09 C ATOM 966 O MET A 787 -12.096 3.436 35.302 1.00 15.82 O ATOM 967 CB MET A 787 -9.447 1.651 35.694 1.00 16.36 C ATOM 968 CG MET A 787 -8.626 0.926 36.759 1.00 14.87 C ATOM 969 SD MET A 787 -6.890 1.443 36.835 1.00 16.54 S ATOM 970 CE MET A 787 -6.202 0.518 35.450 1.00 15.94 C ATOM 0 H MET A 787 -10.624 -0.416 34.991 1.00 16.00 H new ATOM 0 HA MET A 787 -11.228 1.505 36.699 1.00 15.88 H new ATOM 0 HB2 MET A 787 -9.126 1.389 34.817 1.00 16.36 H new ATOM 0 HB3 MET A 787 -9.298 2.606 35.777 1.00 16.36 H new ATOM 0 HG2 MET A 787 -9.036 1.074 37.626 1.00 14.87 H new ATOM 0 HG3 MET A 787 -8.662 -0.028 36.587 1.00 14.87 H new ATOM 0 HE1 MET A 787 -5.235 0.500 35.521 1.00 15.94 H new ATOM 0 HE2 MET A 787 -6.544 -0.390 35.465 1.00 15.94 H new ATOM 0 HE3 MET A 787 -6.456 0.945 34.617 1.00 15.94 H new ATOM 971 N ARG A 788 -11.997 1.939 33.635 1.00 16.06 N ATOM 972 CA ARG A 788 -12.744 2.825 32.758 1.00 16.52 C ATOM 973 C ARG A 788 -14.206 2.825 33.194 1.00 16.71 C ATOM 974 O ARG A 788 -14.917 3.811 33.026 1.00 16.53 O ATOM 975 CB ARG A 788 -12.619 2.403 31.288 1.00 20.33 C ATOM 976 CG ARG A 788 -13.031 3.518 30.321 1.00 24.31 C ATOM 977 CD ARG A 788 -12.695 3.197 28.867 1.00 29.79 C ATOM 978 NE ARG A 788 -13.782 2.515 28.168 1.00 34.43 N ATOM 979 CZ ARG A 788 -14.925 3.097 27.812 1.00 35.91 C ATOM 980 NH1 ARG A 788 -15.139 4.379 28.087 1.00 36.49 N ATOM 981 NH2 ARG A 788 -15.857 2.398 27.180 1.00 37.55 N ATOM 0 H ARG A 788 -11.764 1.185 33.293 1.00 16.06 H new ATOM 0 HA ARG A 788 -12.377 3.720 32.828 1.00 16.52 H new ATOM 0 HB2 ARG A 788 -11.702 2.143 31.106 1.00 20.33 H new ATOM 0 HB3 ARG A 788 -13.172 1.622 31.131 1.00 20.33 H new ATOM 0 HG2 ARG A 788 -13.985 3.673 30.401 1.00 24.31 H new ATOM 0 HG3 ARG A 788 -12.587 4.342 30.576 1.00 24.31 H new ATOM 0 HD2 ARG A 788 -12.483 4.020 28.400 1.00 29.79 H new ATOM 0 HD3 ARG A 788 -11.900 2.642 28.839 1.00 29.79 H new ATOM 0 HE ARG A 788 -13.676 1.684 27.974 1.00 34.43 H new ATOM 0 HH11 ARG A 788 -14.538 4.837 28.497 1.00 36.49 H new ATOM 0 HH12 ARG A 788 -15.879 4.751 27.855 1.00 36.49 H new ATOM 0 HH21 ARG A 788 -15.724 1.568 27.000 1.00 37.55 H new ATOM 0 HH22 ARG A 788 -16.595 2.775 26.950 1.00 37.55 H new ATOM 982 N HIS A 789 -14.646 1.712 33.765 1.00 15.88 N ATOM 983 CA HIS A 789 -16.010 1.610 34.262 1.00 17.54 C ATOM 984 C HIS A 789 -16.120 2.582 35.439 1.00 16.63 C ATOM 985 O HIS A 789 -17.079 3.347 35.544 1.00 17.18 O ATOM 986 CB HIS A 789 -16.288 0.194 34.751 1.00 18.10 C ATOM 987 CG HIS A 789 -17.678 0.000 35.259 1.00 20.33 C ATOM 988 ND1 HIS A 789 -18.730 -0.339 34.437 1.00 23.26 N ATOM 989 CD2 HIS A 789 -18.196 0.126 36.504 1.00 20.54 C ATOM 990 CE1 HIS A 789 -19.838 -0.415 35.155 1.00 23.27 C ATOM 991 NE2 HIS A 789 -19.540 -0.137 36.412 1.00 21.85 N ATOM 0 H HIS A 789 -14.170 1.004 33.874 1.00 15.88 H new ATOM 0 HA HIS A 789 -16.648 1.820 33.562 1.00 17.54 H new ATOM 0 HB2 HIS A 789 -16.127 -0.428 34.025 1.00 18.10 H new ATOM 0 HB3 HIS A 789 -15.660 -0.026 35.457 1.00 18.10 H new ATOM 0 HD2 HIS A 789 -17.729 0.349 37.277 1.00 20.54 H new ATOM 0 HE1 HIS A 789 -20.683 -0.628 34.830 1.00 23.27 H new ATOM 0 HE2 HIS A 789 -20.098 -0.123 37.066 1.00 21.85 H new ATOM 992 N LEU A 790 -15.130 2.536 36.328 1.00 15.29 N ATOM 993 CA LEU A 790 -15.092 3.435 37.483 1.00 15.82 C ATOM 994 C LEU A 790 -15.160 4.890 37.007 1.00 15.97 C ATOM 995 O LEU A 790 -15.896 5.708 37.566 1.00 15.49 O ATOM 996 CB LEU A 790 -13.800 3.208 38.282 1.00 16.08 C ATOM 997 CG LEU A 790 -13.466 4.233 39.371 1.00 17.78 C ATOM 998 CD1 LEU A 790 -14.553 4.250 40.430 1.00 20.36 C ATOM 999 CD2 LEU A 790 -12.121 3.890 39.998 1.00 16.84 C ATOM 0 H LEU A 790 -14.468 1.990 36.281 1.00 15.29 H new ATOM 0 HA LEU A 790 -15.853 3.250 38.055 1.00 15.82 H new ATOM 0 HB2 LEU A 790 -13.852 2.333 38.697 1.00 16.08 H new ATOM 0 HB3 LEU A 790 -13.059 3.181 37.656 1.00 16.08 H new ATOM 0 HG LEU A 790 -13.415 5.116 38.972 1.00 17.78 H new ATOM 0 HD11 LEU A 790 -14.330 4.902 41.113 1.00 20.36 H new ATOM 0 HD12 LEU A 790 -15.400 4.488 40.021 1.00 20.36 H new ATOM 0 HD13 LEU A 790 -14.625 3.371 40.834 1.00 20.36 H new ATOM 0 HD21 LEU A 790 -11.910 4.539 40.687 1.00 16.84 H new ATOM 0 HD22 LEU A 790 -12.163 3.004 40.391 1.00 16.84 H new ATOM 0 HD23 LEU A 790 -11.432 3.908 39.316 1.00 16.84 H new ATOM 1000 N SER A 791 -14.388 5.207 35.972 1.00 15.27 N ATOM 1001 CA SER A 791 -14.374 6.557 35.425 1.00 16.23 C ATOM 1002 C SER A 791 -15.768 6.964 34.961 1.00 16.21 C ATOM 1003 O SER A 791 -16.212 8.086 35.214 1.00 15.80 O ATOM 1004 CB SER A 791 -13.399 6.647 34.250 1.00 16.45 C ATOM 1005 OG SER A 791 -13.413 7.953 33.692 1.00 19.31 O ATOM 0 H SER A 791 -13.865 4.654 35.573 1.00 15.27 H new ATOM 0 HA SER A 791 -14.086 7.162 36.126 1.00 16.23 H new ATOM 0 HB2 SER A 791 -12.503 6.426 34.548 1.00 16.45 H new ATOM 0 HB3 SER A 791 -13.640 5.997 33.572 1.00 16.45 H new ATOM 0 HG SER A 791 -13.085 8.497 34.242 1.00 19.31 H new ATOM 1006 N GLN A 792 -16.458 6.047 34.286 1.00 16.04 N ATOM 1007 CA GLN A 792 -17.801 6.320 33.790 1.00 17.42 C ATOM 1008 C GLN A 792 -18.793 6.552 34.921 1.00 17.20 C ATOM 1009 O GLN A 792 -19.737 7.332 34.782 1.00 17.44 O ATOM 1010 CB GLN A 792 -18.289 5.164 32.916 1.00 18.72 C ATOM 1011 CG GLN A 792 -17.655 5.129 31.539 1.00 22.42 C ATOM 1012 CD GLN A 792 -18.054 3.896 30.752 1.00 24.98 C ATOM 1013 OE1 GLN A 792 -17.667 2.776 31.091 1.00 29.37 O ATOM 1014 NE2 GLN A 792 -18.837 4.095 29.701 1.00 25.97 N ATOM 0 H GLN A 792 -16.164 5.259 34.105 1.00 16.04 H new ATOM 0 HA GLN A 792 -17.750 7.133 33.264 1.00 17.42 H new ATOM 0 HB2 GLN A 792 -18.105 4.326 33.369 1.00 18.72 H new ATOM 0 HB3 GLN A 792 -19.252 5.228 32.818 1.00 18.72 H new ATOM 0 HG2 GLN A 792 -17.914 5.923 31.046 1.00 22.42 H new ATOM 0 HG3 GLN A 792 -16.690 5.154 31.629 1.00 22.42 H new ATOM 0 HE21 GLN A 792 -19.087 4.892 29.496 1.00 25.97 H new ATOM 0 HE22 GLN A 792 -19.095 3.427 29.225 1.00 25.97 H new ATOM 1015 N GLU A 793 -18.582 5.876 36.044 1.00 15.80 N ATOM 1016 CA GLU A 793 -19.485 6.037 37.170 1.00 16.51 C ATOM 1017 C GLU A 793 -19.473 7.458 37.717 1.00 15.65 C ATOM 1018 O GLU A 793 -20.449 7.901 38.314 1.00 15.76 O ATOM 1019 CB GLU A 793 -19.156 5.016 38.262 1.00 18.56 C ATOM 1020 CG GLU A 793 -19.535 3.608 37.835 1.00 23.82 C ATOM 1021 CD GLU A 793 -19.660 2.642 38.986 1.00 30.47 C ATOM 1022 OE1 GLU A 793 -18.624 2.135 39.457 1.00 34.34 O ATOM 1023 OE2 GLU A 793 -20.804 2.393 39.423 1.00 33.18 O ATOM 0 H GLU A 793 -17.932 5.328 36.172 1.00 15.80 H new ATOM 0 HA GLU A 793 -20.386 5.871 36.853 1.00 16.51 H new ATOM 0 HB2 GLU A 793 -18.208 5.050 38.465 1.00 18.56 H new ATOM 0 HB3 GLU A 793 -19.629 5.247 39.077 1.00 18.56 H new ATOM 0 HG2 GLU A 793 -20.378 3.639 37.356 1.00 23.82 H new ATOM 0 HG3 GLU A 793 -18.868 3.276 37.214 1.00 23.82 H new ATOM 1024 N PHE A 794 -18.381 8.186 37.508 1.00 14.04 N ATOM 1025 CA PHE A 794 -18.341 9.561 37.988 1.00 15.06 C ATOM 1026 C PHE A 794 -19.415 10.334 37.231 1.00 15.87 C ATOM 1027 O PHE A 794 -20.081 11.206 37.790 1.00 15.70 O ATOM 1028 CB PHE A 794 -16.964 10.189 37.752 1.00 13.62 C ATOM 1029 CG PHE A 794 -15.922 9.750 38.745 1.00 14.93 C ATOM 1030 CD1 PHE A 794 -16.093 9.999 40.102 1.00 14.16 C ATOM 1031 CD2 PHE A 794 -14.768 9.096 38.324 1.00 15.98 C ATOM 1032 CE1 PHE A 794 -15.131 9.604 41.032 1.00 15.10 C ATOM 1033 CE2 PHE A 794 -13.796 8.694 39.244 1.00 16.81 C ATOM 1034 CZ PHE A 794 -13.979 8.949 40.603 1.00 15.21 C ATOM 0 H PHE A 794 -17.673 7.913 37.103 1.00 14.04 H new ATOM 0 HA PHE A 794 -18.504 9.587 38.944 1.00 15.06 H new ATOM 0 HB2 PHE A 794 -16.663 9.963 36.858 1.00 13.62 H new ATOM 0 HB3 PHE A 794 -17.047 11.155 37.788 1.00 13.62 H new ATOM 0 HD1 PHE A 794 -16.860 10.436 40.394 1.00 14.16 H new ATOM 0 HD2 PHE A 794 -14.642 8.924 37.419 1.00 15.98 H new ATOM 0 HE1 PHE A 794 -15.259 9.778 41.937 1.00 15.10 H new ATOM 0 HE2 PHE A 794 -13.029 8.257 38.951 1.00 16.81 H new ATOM 0 HZ PHE A 794 -13.335 8.683 41.219 1.00 15.21 H new ATOM 1035 N GLY A 795 -19.590 9.987 35.959 1.00 16.15 N ATOM 1036 CA GLY A 795 -20.598 10.640 35.141 1.00 16.33 C ATOM 1037 C GLY A 795 -21.994 10.105 35.417 1.00 16.58 C ATOM 1038 O GLY A 795 -22.932 10.880 35.611 1.00 17.48 O ATOM 0 H GLY A 795 -19.136 9.378 35.555 1.00 16.15 H new ATOM 0 HA2 GLY A 795 -20.580 11.595 35.309 1.00 16.33 H new ATOM 0 HA3 GLY A 795 -20.384 10.513 34.203 1.00 16.33 H new ATOM 1039 N TRP A 796 -22.133 8.781 35.449 1.00 16.99 N ATOM 1040 CA TRP A 796 -23.431 8.155 35.691 1.00 17.21 C ATOM 1041 C TRP A 796 -24.037 8.565 37.029 1.00 18.31 C ATOM 1042 O TRP A 796 -25.245 8.812 37.121 1.00 18.13 O ATOM 1043 CB TRP A 796 -23.320 6.624 35.630 1.00 18.44 C ATOM 1044 CG TRP A 796 -22.903 6.081 34.290 1.00 18.30 C ATOM 1045 CD1 TRP A 796 -23.171 6.622 33.065 1.00 19.04 C ATOM 1046 CD2 TRP A 796 -22.181 4.865 34.041 1.00 19.81 C ATOM 1047 NE1 TRP A 796 -22.661 5.818 32.069 1.00 18.75 N ATOM 1048 CE2 TRP A 796 -22.051 4.734 32.640 1.00 20.55 C ATOM 1049 CE3 TRP A 796 -21.635 3.872 34.866 1.00 21.69 C ATOM 1050 CZ2 TRP A 796 -21.394 3.648 32.045 1.00 20.93 C ATOM 1051 CZ3 TRP A 796 -20.981 2.791 34.273 1.00 23.63 C ATOM 1052 CH2 TRP A 796 -20.868 2.691 32.875 1.00 21.55 C ATOM 0 H TRP A 796 -21.486 8.226 35.333 1.00 16.99 H new ATOM 0 HA TRP A 796 -24.021 8.468 34.987 1.00 17.21 H new ATOM 0 HB2 TRP A 796 -22.681 6.331 36.298 1.00 18.44 H new ATOM 0 HB3 TRP A 796 -24.178 6.239 35.869 1.00 18.44 H new ATOM 0 HD1 TRP A 796 -23.631 7.418 32.924 1.00 19.04 H new ATOM 0 HE1 TRP A 796 -22.717 5.972 31.225 1.00 18.75 H new ATOM 0 HE3 TRP A 796 -21.707 3.932 35.791 1.00 21.69 H new ATOM 0 HZ2 TRP A 796 -21.318 3.579 31.121 1.00 20.93 H new ATOM 0 HZ3 TRP A 796 -20.614 2.127 34.811 1.00 23.63 H new ATOM 0 HH2 TRP A 796 -20.427 1.960 32.505 1.00 21.55 H new ATOM 1053 N LEU A 797 -23.201 8.639 38.063 1.00 16.70 N ATOM 1054 CA LEU A 797 -23.662 9.017 39.397 1.00 15.72 C ATOM 1055 C LEU A 797 -23.656 10.529 39.625 1.00 14.28 C ATOM 1056 O LEU A 797 -24.029 11.000 40.699 1.00 14.48 O ATOM 1057 CB LEU A 797 -22.791 8.346 40.464 1.00 16.88 C ATOM 1058 CG LEU A 797 -22.855 6.819 40.552 1.00 17.23 C ATOM 1059 CD1 LEU A 797 -21.829 6.315 41.566 1.00 17.10 C ATOM 1060 CD2 LEU A 797 -24.259 6.394 40.952 1.00 19.39 C ATOM 0 H LEU A 797 -22.359 8.473 38.012 1.00 16.70 H new ATOM 0 HA LEU A 797 -24.581 8.715 39.467 1.00 15.72 H new ATOM 0 HB2 LEU A 797 -21.869 8.601 40.304 1.00 16.88 H new ATOM 0 HB3 LEU A 797 -23.040 8.709 41.329 1.00 16.88 H new ATOM 0 HG LEU A 797 -22.646 6.433 39.687 1.00 17.23 H new ATOM 0 HD11 LEU A 797 -21.874 5.347 41.618 1.00 17.10 H new ATOM 0 HD12 LEU A 797 -20.939 6.583 41.287 1.00 17.10 H new ATOM 0 HD13 LEU A 797 -22.022 6.694 42.438 1.00 17.10 H new ATOM 0 HD21 LEU A 797 -24.301 5.427 41.008 1.00 19.39 H new ATOM 0 HD22 LEU A 797 -24.480 6.777 41.815 1.00 19.39 H new ATOM 0 HD23 LEU A 797 -24.893 6.707 40.288 1.00 19.39 H new ATOM 1061 N GLN A 798 -23.241 11.286 38.614 1.00 14.42 N ATOM 1062 CA GLN A 798 -23.177 12.744 38.720 1.00 15.84 C ATOM 1063 C GLN A 798 -22.399 13.173 39.967 1.00 15.16 C ATOM 1064 O GLN A 798 -22.838 14.038 40.725 1.00 15.41 O ATOM 1065 CB GLN A 798 -24.590 13.344 38.754 1.00 15.94 C ATOM 1066 CG GLN A 798 -25.398 13.048 37.502 1.00 16.86 C ATOM 1067 CD GLN A 798 -26.816 13.578 37.567 1.00 17.97 C ATOM 1068 OE1 GLN A 798 -27.715 13.053 36.904 1.00 21.49 O ATOM 1069 NE2 GLN A 798 -27.025 14.623 38.354 1.00 17.41 N ATOM 0 H GLN A 798 -22.990 10.974 37.853 1.00 14.42 H new ATOM 0 HA GLN A 798 -22.710 13.077 37.938 1.00 15.84 H new ATOM 0 HB2 GLN A 798 -25.063 12.997 39.526 1.00 15.94 H new ATOM 0 HB3 GLN A 798 -24.524 14.305 38.869 1.00 15.94 H new ATOM 0 HG2 GLN A 798 -24.949 13.436 36.735 1.00 16.86 H new ATOM 0 HG3 GLN A 798 -25.424 12.089 37.360 1.00 16.86 H new ATOM 0 HE21 GLN A 798 -26.373 14.962 38.801 1.00 17.41 H new ATOM 0 HE22 GLN A 798 -27.813 14.963 38.418 1.00 17.41 H new ATOM 1070 N ILE A 799 -21.238 12.561 40.171 1.00 15.33 N ATOM 1071 CA ILE A 799 -20.392 12.891 41.315 1.00 13.85 C ATOM 1072 C ILE A 799 -19.925 14.342 41.172 1.00 14.44 C ATOM 1073 O ILE A 799 -19.403 14.730 40.128 1.00 15.99 O ATOM 1074 CB ILE A 799 -19.152 11.960 41.366 1.00 14.37 C ATOM 1075 CG1 ILE A 799 -19.597 10.501 41.503 1.00 14.92 C ATOM 1076 CG2 ILE A 799 -18.239 12.362 42.519 1.00 13.59 C ATOM 1077 CD1 ILE A 799 -20.335 10.202 42.784 1.00 15.22 C ATOM 0 H ILE A 799 -20.920 11.949 39.657 1.00 15.33 H new ATOM 0 HA ILE A 799 -20.901 12.773 42.132 1.00 13.85 H new ATOM 0 HB ILE A 799 -18.653 12.050 40.539 1.00 14.37 H new ATOM 0 HG12 ILE A 799 -20.167 10.275 40.752 1.00 14.92 H new ATOM 0 HG13 ILE A 799 -18.816 9.928 41.449 1.00 14.92 H new ATOM 0 HG21 ILE A 799 -17.468 11.774 42.542 1.00 13.59 H new ATOM 0 HG22 ILE A 799 -17.944 13.277 42.394 1.00 13.59 H new ATOM 0 HG23 ILE A 799 -18.724 12.291 43.356 1.00 13.59 H new ATOM 0 HD11 ILE A 799 -20.585 9.265 42.803 1.00 15.22 H new ATOM 0 HD12 ILE A 799 -19.762 10.398 43.541 1.00 15.22 H new ATOM 0 HD13 ILE A 799 -21.134 10.750 42.833 1.00 15.22 H new ATOM 1078 N THR A 800 -20.119 15.146 42.212 1.00 13.90 N ATOM 1079 CA THR A 800 -19.706 16.546 42.159 1.00 15.18 C ATOM 1080 C THR A 800 -18.219 16.653 42.475 1.00 15.26 C ATOM 1081 O THR A 800 -17.641 15.747 43.077 1.00 14.75 O ATOM 1082 CB THR A 800 -20.474 17.402 43.185 1.00 15.51 C ATOM 1083 OG1 THR A 800 -20.086 17.025 44.512 1.00 16.21 O ATOM 1084 CG2 THR A 800 -21.972 17.201 43.026 1.00 16.55 C ATOM 0 H THR A 800 -20.485 14.905 42.952 1.00 13.90 H new ATOM 0 HA THR A 800 -19.897 16.873 41.266 1.00 15.18 H new ATOM 0 HB THR A 800 -20.261 18.336 43.032 1.00 15.51 H new ATOM 0 HG1 THR A 800 -20.553 17.444 45.070 1.00 16.21 H new ATOM 0 HG21 THR A 800 -22.443 17.745 43.677 1.00 16.55 H new ATOM 0 HG22 THR A 800 -22.241 17.463 42.132 1.00 16.55 H new ATOM 0 HG23 THR A 800 -22.190 16.267 43.168 1.00 16.55 H new ATOM 1085 N PRO A 801 -17.579 17.760 42.067 1.00 15.22 N ATOM 1086 CA PRO A 801 -16.148 17.931 42.343 1.00 16.03 C ATOM 1087 C PRO A 801 -15.862 17.859 43.842 1.00 15.53 C ATOM 1088 O PRO A 801 -14.806 17.379 44.262 1.00 15.39 O ATOM 1089 CB PRO A 801 -15.853 19.317 41.776 1.00 16.95 C ATOM 1090 CG PRO A 801 -16.816 19.411 40.619 1.00 16.21 C ATOM 1091 CD PRO A 801 -18.086 18.862 41.227 1.00 14.36 C ATOM 0 HA PRO A 801 -15.594 17.238 41.951 1.00 16.03 H new ATOM 0 HB2 PRO A 801 -16.007 20.015 42.431 1.00 16.95 H new ATOM 0 HB3 PRO A 801 -14.931 19.399 41.486 1.00 16.95 H new ATOM 0 HG2 PRO A 801 -16.926 20.324 40.310 1.00 16.21 H new ATOM 0 HG3 PRO A 801 -16.522 18.888 39.857 1.00 16.21 H new ATOM 0 HD2 PRO A 801 -18.555 19.530 41.751 1.00 14.36 H new ATOM 0 HD3 PRO A 801 -18.705 18.546 40.550 1.00 14.36 H new ATOM 1092 N GLN A 802 -16.812 18.340 44.641 1.00 14.05 N ATOM 1093 CA GLN A 802 -16.668 18.339 46.091 1.00 14.94 C ATOM 1094 C GLN A 802 -16.818 16.935 46.676 1.00 14.84 C ATOM 1095 O GLN A 802 -16.119 16.582 47.625 1.00 14.17 O ATOM 1096 CB GLN A 802 -17.678 19.302 46.722 1.00 15.89 C ATOM 1097 CG GLN A 802 -17.452 20.773 46.350 1.00 17.45 C ATOM 1098 CD GLN A 802 -17.708 21.059 44.880 1.00 16.80 C ATOM 1099 OE1 GLN A 802 -18.718 20.627 44.323 1.00 17.43 O ATOM 1100 NE2 GLN A 802 -16.803 21.802 44.248 1.00 16.48 N ATOM 0 H GLN A 802 -17.553 18.674 44.358 1.00 14.05 H new ATOM 0 HA GLN A 802 -15.771 18.642 46.301 1.00 14.94 H new ATOM 0 HB2 GLN A 802 -18.572 19.043 46.450 1.00 15.89 H new ATOM 0 HB3 GLN A 802 -17.638 19.212 47.687 1.00 15.89 H new ATOM 0 HG2 GLN A 802 -18.034 21.331 46.889 1.00 17.45 H new ATOM 0 HG3 GLN A 802 -16.540 21.020 46.569 1.00 17.45 H new ATOM 0 HE21 GLN A 802 -16.110 22.086 44.670 1.00 16.48 H new ATOM 0 HE22 GLN A 802 -16.912 21.998 43.418 1.00 16.48 H new ATOM 1101 N GLU A 803 -17.733 16.138 46.127 1.00 14.68 N ATOM 1102 CA GLU A 803 -17.889 14.767 46.603 1.00 15.30 C ATOM 1103 C GLU A 803 -16.610 14.022 46.243 1.00 14.51 C ATOM 1104 O GLU A 803 -16.109 13.223 47.033 1.00 15.37 O ATOM 1105 CB GLU A 803 -19.084 14.075 45.936 1.00 14.68 C ATOM 1106 CG GLU A 803 -20.435 14.611 46.377 1.00 15.75 C ATOM 1107 CD GLU A 803 -21.584 13.977 45.617 1.00 17.24 C ATOM 1108 OE1 GLU A 803 -21.434 13.756 44.398 1.00 15.27 O ATOM 1109 OE2 GLU A 803 -22.638 13.710 46.235 1.00 18.38 O ATOM 0 H GLU A 803 -18.264 16.367 45.490 1.00 14.68 H new ATOM 0 HA GLU A 803 -18.049 14.768 47.560 1.00 15.30 H new ATOM 0 HB2 GLU A 803 -19.006 14.172 44.974 1.00 14.68 H new ATOM 0 HB3 GLU A 803 -19.045 13.125 46.129 1.00 14.68 H new ATOM 0 HG2 GLU A 803 -20.550 14.449 47.326 1.00 15.75 H new ATOM 0 HG3 GLU A 803 -20.457 15.572 46.248 1.00 15.75 H new ATOM 1110 N PHE A 804 -16.077 14.298 45.054 1.00 13.94 N ATOM 1111 CA PHE A 804 -14.845 13.646 44.614 1.00 12.70 C ATOM 1112 C PHE A 804 -13.724 13.910 45.607 1.00 12.32 C ATOM 1113 O PHE A 804 -13.037 12.988 46.039 1.00 12.36 O ATOM 1114 CB PHE A 804 -14.406 14.148 43.236 1.00 13.93 C ATOM 1115 CG PHE A 804 -12.981 13.793 42.894 1.00 15.25 C ATOM 1116 CD1 PHE A 804 -12.616 12.470 42.656 1.00 14.05 C ATOM 1117 CD2 PHE A 804 -11.992 14.776 42.869 1.00 13.76 C ATOM 1118 CE1 PHE A 804 -11.284 12.126 42.401 1.00 13.83 C ATOM 1119 CE2 PHE A 804 -10.659 14.446 42.618 1.00 14.65 C ATOM 1120 CZ PHE A 804 -10.303 13.118 42.384 1.00 14.28 C ATOM 0 H PHE A 804 -16.410 14.856 44.491 1.00 13.94 H new ATOM 0 HA PHE A 804 -15.027 12.695 44.560 1.00 12.70 H new ATOM 0 HB2 PHE A 804 -14.995 13.776 42.561 1.00 13.93 H new ATOM 0 HB3 PHE A 804 -14.509 15.112 43.203 1.00 13.93 H new ATOM 0 HD1 PHE A 804 -13.267 11.806 42.667 1.00 14.05 H new ATOM 0 HD2 PHE A 804 -12.224 15.664 43.022 1.00 13.76 H new ATOM 0 HE1 PHE A 804 -11.053 11.239 42.243 1.00 13.83 H new ATOM 0 HE2 PHE A 804 -10.009 15.111 42.607 1.00 14.65 H new ATOM 0 HZ PHE A 804 -9.416 12.895 42.217 1.00 14.28 H new ATOM 1121 N LEU A 805 -13.535 15.175 45.966 1.00 11.47 N ATOM 1122 CA LEU A 805 -12.478 15.532 46.902 1.00 13.54 C ATOM 1123 C LEU A 805 -12.620 14.835 48.252 1.00 13.11 C ATOM 1124 O LEU A 805 -11.647 14.295 48.786 1.00 11.79 O ATOM 1125 CB LEU A 805 -12.440 17.051 47.102 1.00 13.85 C ATOM 1126 CG LEU A 805 -11.954 17.887 45.917 1.00 15.06 C ATOM 1127 CD1 LEU A 805 -12.073 19.366 46.265 1.00 17.07 C ATOM 1128 CD2 LEU A 805 -10.499 17.529 45.590 1.00 16.36 C ATOM 0 H LEU A 805 -14.005 15.837 45.681 1.00 11.47 H new ATOM 0 HA LEU A 805 -11.644 15.228 46.511 1.00 13.54 H new ATOM 0 HB2 LEU A 805 -13.333 17.348 47.336 1.00 13.85 H new ATOM 0 HB3 LEU A 805 -11.869 17.242 47.862 1.00 13.85 H new ATOM 0 HG LEU A 805 -12.500 17.699 45.137 1.00 15.06 H new ATOM 0 HD11 LEU A 805 -11.766 19.901 45.516 1.00 17.07 H new ATOM 0 HD12 LEU A 805 -13.000 19.580 46.456 1.00 17.07 H new ATOM 0 HD13 LEU A 805 -11.529 19.560 47.045 1.00 17.07 H new ATOM 0 HD21 LEU A 805 -10.196 18.062 44.838 1.00 16.36 H new ATOM 0 HD22 LEU A 805 -9.940 17.711 46.361 1.00 16.36 H new ATOM 0 HD23 LEU A 805 -10.440 16.588 45.363 1.00 16.36 H new ATOM 1129 N CYS A 806 -13.826 14.828 48.807 1.00 13.25 N ATOM 1130 CA CYS A 806 -14.023 14.192 50.106 1.00 13.88 C ATOM 1131 C CYS A 806 -13.860 12.673 50.030 1.00 13.73 C ATOM 1132 O CYS A 806 -13.306 12.052 50.938 1.00 14.24 O ATOM 1133 CB CYS A 806 -15.402 14.543 50.670 1.00 13.86 C ATOM 1134 SG CYS A 806 -15.559 14.166 52.427 1.00 17.75 S ATOM 0 H CYS A 806 -14.530 15.177 48.458 1.00 13.25 H new ATOM 0 HA CYS A 806 -13.337 14.533 50.700 1.00 13.88 H new ATOM 0 HB2 CYS A 806 -15.573 15.488 50.530 1.00 13.86 H new ATOM 0 HB3 CYS A 806 -16.081 14.056 50.178 1.00 13.86 H new ATOM 0 HG CYS A 806 -16.578 14.640 52.849 1.00 17.75 H new ATOM 1135 N MET A 807 -14.345 12.076 48.949 1.00 13.89 N ATOM 1136 CA MET A 807 -14.224 10.634 48.781 1.00 13.05 C ATOM 1137 C MET A 807 -12.769 10.224 48.638 1.00 13.88 C ATOM 1138 O MET A 807 -12.354 9.205 49.188 1.00 13.65 O ATOM 1139 CB MET A 807 -15.020 10.170 47.560 1.00 12.99 C ATOM 1140 CG MET A 807 -16.521 10.313 47.740 1.00 15.26 C ATOM 1141 SD MET A 807 -17.420 10.018 46.202 1.00 20.06 S ATOM 1142 CE MET A 807 -17.458 8.310 46.191 1.00 15.27 C ATOM 0 H MET A 807 -14.745 12.483 48.306 1.00 13.89 H new ATOM 0 HA MET A 807 -14.586 10.209 49.574 1.00 13.05 H new ATOM 0 HB2 MET A 807 -14.742 10.683 46.785 1.00 12.99 H new ATOM 0 HB3 MET A 807 -14.808 9.241 47.376 1.00 12.99 H new ATOM 0 HG2 MET A 807 -16.826 9.688 48.416 1.00 15.26 H new ATOM 0 HG3 MET A 807 -16.723 11.204 48.066 1.00 15.26 H new ATOM 0 HE1 MET A 807 -18.258 8.007 45.734 1.00 15.27 H new ATOM 0 HE2 MET A 807 -16.675 7.972 45.730 1.00 15.27 H new ATOM 0 HE3 MET A 807 -17.463 7.980 47.103 1.00 15.27 H new ATOM 1143 N LYS A 808 -11.988 11.010 47.904 1.00 12.12 N ATOM 1144 CA LYS A 808 -10.582 10.664 47.727 1.00 13.25 C ATOM 1145 C LYS A 808 -9.860 10.712 49.067 1.00 12.55 C ATOM 1146 O LYS A 808 -9.014 9.869 49.344 1.00 12.32 O ATOM 1147 CB LYS A 808 -9.903 11.597 46.720 1.00 12.54 C ATOM 1148 CG LYS A 808 -8.438 11.242 46.458 1.00 13.17 C ATOM 1149 CD LYS A 808 -7.944 11.810 45.130 1.00 11.67 C ATOM 1150 CE LYS A 808 -8.034 13.334 45.077 1.00 14.42 C ATOM 1151 NZ LYS A 808 -7.145 13.990 46.090 1.00 13.90 N ATOM 0 H LYS A 808 -12.243 11.730 47.509 1.00 12.12 H new ATOM 0 HA LYS A 808 -10.534 9.762 47.374 1.00 13.25 H new ATOM 0 HB2 LYS A 808 -10.391 11.568 45.882 1.00 12.54 H new ATOM 0 HB3 LYS A 808 -9.955 12.509 47.047 1.00 12.54 H new ATOM 0 HG2 LYS A 808 -7.888 11.584 47.180 1.00 13.17 H new ATOM 0 HG3 LYS A 808 -8.335 10.278 46.455 1.00 13.17 H new ATOM 0 HD2 LYS A 808 -7.024 11.538 44.987 1.00 11.67 H new ATOM 0 HD3 LYS A 808 -8.467 11.433 44.405 1.00 11.67 H new ATOM 0 HE2 LYS A 808 -7.791 13.640 44.189 1.00 14.42 H new ATOM 0 HE3 LYS A 808 -8.952 13.608 45.230 1.00 14.42 H new ATOM 0 HZ1 LYS A 808 -6.961 14.821 45.830 1.00 13.90 H new ATOM 0 HZ2 LYS A 808 -7.558 14.011 46.878 1.00 13.90 H new ATOM 0 HZ3 LYS A 808 -6.388 13.528 46.164 1.00 13.90 H new ATOM 1152 N ALA A 809 -10.193 11.697 49.896 1.00 13.64 N ATOM 1153 CA ALA A 809 -9.571 11.802 51.213 1.00 14.48 C ATOM 1154 C ALA A 809 -9.923 10.550 52.023 1.00 15.44 C ATOM 1155 O ALA A 809 -9.069 9.974 52.699 1.00 15.26 O ATOM 1156 CB ALA A 809 -10.064 13.057 51.930 1.00 15.52 C ATOM 0 H ALA A 809 -10.771 12.309 49.718 1.00 13.64 H new ATOM 0 HA ALA A 809 -8.608 11.868 51.118 1.00 14.48 H new ATOM 0 HB1 ALA A 809 -9.645 13.117 52.803 1.00 15.52 H new ATOM 0 HB2 ALA A 809 -9.833 13.841 51.407 1.00 15.52 H new ATOM 0 HB3 ALA A 809 -11.027 13.012 52.037 1.00 15.52 H new ATOM 1157 N LEU A 810 -11.179 10.119 51.940 1.00 13.79 N ATOM 1158 CA LEU A 810 -11.616 8.926 52.665 1.00 14.96 C ATOM 1159 C LEU A 810 -10.878 7.661 52.240 1.00 15.03 C ATOM 1160 O LEU A 810 -10.754 6.720 53.025 1.00 16.30 O ATOM 1161 CB LEU A 810 -13.124 8.715 52.493 1.00 16.71 C ATOM 1162 CG LEU A 810 -14.019 9.453 53.488 1.00 21.50 C ATOM 1163 CD1 LEU A 810 -15.464 9.372 53.036 1.00 23.75 C ATOM 1164 CD2 LEU A 810 -13.853 8.836 54.875 1.00 22.23 C ATOM 0 H LEU A 810 -11.792 10.500 51.472 1.00 13.79 H new ATOM 0 HA LEU A 810 -11.404 9.086 53.598 1.00 14.96 H new ATOM 0 HB2 LEU A 810 -13.371 8.990 51.596 1.00 16.71 H new ATOM 0 HB3 LEU A 810 -13.310 7.765 52.560 1.00 16.71 H new ATOM 0 HG LEU A 810 -13.762 10.387 53.529 1.00 21.50 H new ATOM 0 HD11 LEU A 810 -16.028 9.841 53.670 1.00 23.75 H new ATOM 0 HD12 LEU A 810 -15.553 9.780 52.161 1.00 23.75 H new ATOM 0 HD13 LEU A 810 -15.737 8.442 52.988 1.00 23.75 H new ATOM 0 HD21 LEU A 810 -14.421 9.304 55.507 1.00 22.23 H new ATOM 0 HD22 LEU A 810 -14.105 7.900 54.845 1.00 22.23 H new ATOM 0 HD23 LEU A 810 -12.927 8.912 55.154 1.00 22.23 H new ATOM 1165 N LEU A 811 -10.403 7.624 51.000 1.00 13.90 N ATOM 1166 CA LEU A 811 -9.673 6.455 50.519 1.00 14.17 C ATOM 1167 C LEU A 811 -8.327 6.308 51.220 1.00 14.83 C ATOM 1168 O LEU A 811 -7.757 5.216 51.264 1.00 14.60 O ATOM 1169 CB LEU A 811 -9.462 6.531 49.003 1.00 14.42 C ATOM 1170 CG LEU A 811 -10.671 6.134 48.153 1.00 15.30 C ATOM 1171 CD1 LEU A 811 -10.365 6.371 46.682 1.00 15.88 C ATOM 1172 CD2 LEU A 811 -11.018 4.664 48.405 1.00 16.66 C ATOM 0 H LEU A 811 -10.491 8.258 50.426 1.00 13.90 H new ATOM 0 HA LEU A 811 -10.211 5.675 50.726 1.00 14.17 H new ATOM 0 HB2 LEU A 811 -9.207 7.438 48.772 1.00 14.42 H new ATOM 0 HB3 LEU A 811 -8.716 5.957 48.766 1.00 14.42 H new ATOM 0 HG LEU A 811 -11.435 6.678 48.400 1.00 15.30 H new ATOM 0 HD11 LEU A 811 -11.133 6.118 46.147 1.00 15.88 H new ATOM 0 HD12 LEU A 811 -10.167 7.310 46.540 1.00 15.88 H new ATOM 0 HD13 LEU A 811 -9.599 5.836 46.420 1.00 15.88 H new ATOM 0 HD21 LEU A 811 -11.784 4.415 47.865 1.00 16.66 H new ATOM 0 HD22 LEU A 811 -10.260 4.107 48.167 1.00 16.66 H new ATOM 0 HD23 LEU A 811 -11.229 4.537 49.343 1.00 16.66 H new ATOM 1173 N LEU A 812 -7.815 7.405 51.767 1.00 14.41 N ATOM 1174 CA LEU A 812 -6.538 7.356 52.469 1.00 15.22 C ATOM 1175 C LEU A 812 -6.714 6.617 53.795 1.00 15.72 C ATOM 1176 O LEU A 812 -5.767 6.047 54.333 1.00 15.12 O ATOM 1177 CB LEU A 812 -6.020 8.773 52.738 1.00 15.88 C ATOM 1178 CG LEU A 812 -4.766 8.918 53.614 1.00 15.88 C ATOM 1179 CD1 LEU A 812 -3.582 8.204 52.967 1.00 14.69 C ATOM 1180 CD2 LEU A 812 -4.449 10.398 53.796 1.00 14.61 C ATOM 0 H LEU A 812 -8.187 8.180 51.744 1.00 14.41 H new ATOM 0 HA LEU A 812 -5.894 6.888 51.915 1.00 15.22 H new ATOM 0 HB2 LEU A 812 -5.837 9.192 51.882 1.00 15.88 H new ATOM 0 HB3 LEU A 812 -6.735 9.279 53.154 1.00 15.88 H new ATOM 0 HG LEU A 812 -4.932 8.513 54.480 1.00 15.88 H new ATOM 0 HD11 LEU A 812 -2.798 8.303 53.529 1.00 14.69 H new ATOM 0 HD12 LEU A 812 -3.789 7.262 52.864 1.00 14.69 H new ATOM 0 HD13 LEU A 812 -3.406 8.593 52.096 1.00 14.69 H new ATOM 0 HD21 LEU A 812 -3.658 10.494 54.349 1.00 14.61 H new ATOM 0 HD22 LEU A 812 -4.289 10.804 52.930 1.00 14.61 H new ATOM 0 HD23 LEU A 812 -5.198 10.839 54.226 1.00 14.61 H new ATOM 1181 N PHE A 813 -7.940 6.620 54.305 1.00 15.08 N ATOM 1182 CA PHE A 813 -8.250 5.975 55.577 1.00 15.61 C ATOM 1183 C PHE A 813 -9.127 4.745 55.364 1.00 17.10 C ATOM 1184 O PHE A 813 -10.005 4.459 56.175 1.00 18.08 O ATOM 1185 CB PHE A 813 -8.986 6.970 56.483 1.00 16.24 C ATOM 1186 CG PHE A 813 -8.329 8.322 56.559 1.00 17.20 C ATOM 1187 CD1 PHE A 813 -7.079 8.471 57.151 1.00 18.72 C ATOM 1188 CD2 PHE A 813 -8.955 9.447 56.022 1.00 15.16 C ATOM 1189 CE1 PHE A 813 -6.456 9.724 57.207 1.00 19.86 C ATOM 1190 CE2 PHE A 813 -8.346 10.700 56.071 1.00 17.62 C ATOM 1191 CZ PHE A 813 -7.093 10.841 56.665 1.00 18.32 C ATOM 0 H PHE A 813 -8.615 6.995 53.925 1.00 15.08 H new ATOM 0 HA PHE A 813 -7.419 5.694 55.992 1.00 15.61 H new ATOM 0 HB2 PHE A 813 -9.894 7.079 56.160 1.00 16.24 H new ATOM 0 HB3 PHE A 813 -9.046 6.598 57.377 1.00 16.24 H new ATOM 0 HD1 PHE A 813 -6.652 7.729 57.514 1.00 18.72 H new ATOM 0 HD2 PHE A 813 -9.792 9.360 55.625 1.00 15.16 H new ATOM 0 HE1 PHE A 813 -5.620 9.811 57.604 1.00 19.86 H new ATOM 0 HE2 PHE A 813 -8.775 11.441 55.708 1.00 17.62 H new ATOM 0 HZ PHE A 813 -6.684 11.675 56.700 1.00 18.32 H new ATOM 1192 N SER A 814 -8.877 4.006 54.288 1.00 16.03 N ATOM 1193 CA SER A 814 -9.699 2.843 53.980 1.00 16.94 C ATOM 1194 C SER A 814 -9.003 1.486 53.977 1.00 16.59 C ATOM 1195 O SER A 814 -9.599 0.492 53.570 1.00 17.53 O ATOM 1196 CB SER A 814 -10.370 3.054 52.627 1.00 17.97 C ATOM 1197 OG ASER A 814 -9.402 3.088 51.589 0.50 17.13 O ATOM 1198 OG BSER A 814 -11.207 4.196 52.666 0.50 20.21 O ATOM 0 H SER A 814 -8.242 4.159 53.729 1.00 16.03 H new ATOM 0 HA SER A 814 -10.329 2.792 54.716 1.00 16.94 H new ATOM 0 HB2ASER A 814 -11.005 2.340 52.460 0.50 17.97 H new ATOM 0 HB2BSER A 814 -9.696 3.163 51.938 0.50 17.97 H new ATOM 0 HB3ASER A 814 -10.872 3.884 52.635 0.50 17.97 H new ATOM 0 HB3BSER A 814 -10.892 2.271 52.392 0.50 17.97 H new ATOM 0 HG ASER A 814 -8.959 3.800 51.642 0.50 20.21 H new ATOM 0 HG BSER A 814 -10.738 4.884 52.777 0.50 20.21 H new ATOM 1199 N ILE A 815 -7.755 1.428 54.422 1.00 16.69 N ATOM 1200 CA ILE A 815 -7.045 0.152 54.429 1.00 17.71 C ATOM 1201 C ILE A 815 -5.979 0.137 55.517 1.00 20.65 C ATOM 1202 O ILE A 815 -5.060 0.957 55.518 1.00 20.14 O ATOM 1203 CB ILE A 815 -6.430 -0.138 53.033 1.00 19.64 C ATOM 1204 CG1 ILE A 815 -5.605 -1.423 53.068 1.00 19.79 C ATOM 1205 CG2 ILE A 815 -5.588 1.036 52.575 1.00 19.98 C ATOM 1206 CD1 ILE A 815 -5.273 -1.947 51.685 1.00 20.16 C ATOM 0 H ILE A 815 -7.307 2.099 54.719 1.00 16.69 H new ATOM 0 HA ILE A 815 -7.680 -0.554 54.627 1.00 17.71 H new ATOM 0 HB ILE A 815 -7.150 -0.262 52.395 1.00 19.64 H new ATOM 0 HG12 ILE A 815 -4.781 -1.260 53.554 1.00 19.79 H new ATOM 0 HG13 ILE A 815 -6.094 -2.103 53.558 1.00 19.79 H new ATOM 0 HG21 ILE A 815 -5.210 0.843 51.703 1.00 19.98 H new ATOM 0 HG22 ILE A 815 -6.143 1.830 52.518 1.00 19.98 H new ATOM 0 HG23 ILE A 815 -4.872 1.188 53.211 1.00 19.98 H new ATOM 0 HD11 ILE A 815 -4.751 -2.760 51.764 1.00 20.16 H new ATOM 0 HD12 ILE A 815 -6.094 -2.136 51.205 1.00 20.16 H new ATOM 0 HD13 ILE A 815 -4.761 -1.280 51.200 1.00 20.16 H new ATOM 1207 N ILE A 816 -6.112 -0.805 56.446 1.00 19.83 N ATOM 1208 CA ILE A 816 -5.184 -0.891 57.569 1.00 20.55 C ATOM 1209 C ILE A 816 -4.815 -2.318 57.983 1.00 20.51 C ATOM 1210 O ILE A 816 -5.455 -3.286 57.574 1.00 18.82 O ATOM 1211 CB ILE A 816 -5.777 -0.174 58.797 1.00 21.64 C ATOM 1212 CG1 ILE A 816 -7.105 -0.828 59.183 1.00 21.25 C ATOM 1213 CG2 ILE A 816 -5.974 1.307 58.493 1.00 21.47 C ATOM 1214 CD1 ILE A 816 -7.735 -0.245 60.437 1.00 24.94 C ATOM 0 H ILE A 816 -6.731 -1.402 56.445 1.00 19.83 H new ATOM 0 HA ILE A 816 -4.370 -0.465 57.258 1.00 20.55 H new ATOM 0 HB ILE A 816 -5.163 -0.253 59.543 1.00 21.64 H new ATOM 0 HG12 ILE A 816 -7.728 -0.735 58.445 1.00 21.25 H new ATOM 0 HG13 ILE A 816 -6.961 -1.778 59.315 1.00 21.25 H new ATOM 0 HG21 ILE A 816 -6.347 1.750 59.271 1.00 21.47 H new ATOM 0 HG22 ILE A 816 -5.119 1.709 58.272 1.00 21.47 H new ATOM 0 HG23 ILE A 816 -6.581 1.406 57.743 1.00 21.47 H new ATOM 0 HD11 ILE A 816 -8.570 -0.703 60.623 1.00 24.94 H new ATOM 0 HD12 ILE A 816 -7.130 -0.359 61.186 1.00 24.94 H new ATOM 0 HD13 ILE A 816 -7.908 0.700 60.303 1.00 24.94 H new ATOM 1215 N PRO A 817 -3.771 -2.457 58.817 1.00 22.12 N ATOM 1216 CA PRO A 817 -3.311 -3.765 59.295 1.00 20.74 C ATOM 1217 C PRO A 817 -4.254 -4.399 60.312 1.00 20.81 C ATOM 1218 O PRO A 817 -4.758 -3.722 61.210 1.00 20.91 O ATOM 1219 CB PRO A 817 -1.946 -3.446 59.898 1.00 22.53 C ATOM 1220 CG PRO A 817 -2.135 -2.056 60.420 1.00 23.65 C ATOM 1221 CD PRO A 817 -2.866 -1.388 59.281 1.00 22.74 C ATOM 0 HA PRO A 817 -3.275 -4.425 58.585 1.00 20.74 H new ATOM 0 HB2 PRO A 817 -1.710 -4.067 60.604 1.00 22.53 H new ATOM 0 HB3 PRO A 817 -1.240 -3.489 59.234 1.00 22.53 H new ATOM 0 HG2 PRO A 817 -2.653 -2.044 61.240 1.00 23.65 H new ATOM 0 HG3 PRO A 817 -1.289 -1.622 60.612 1.00 23.65 H new ATOM 0 HD2 PRO A 817 -3.354 -0.603 59.575 1.00 22.74 H new ATOM 0 HD3 PRO A 817 -2.259 -1.099 58.582 1.00 22.74 H new ATOM 1222 N VAL A 818 -4.481 -5.703 60.177 1.00 20.06 N ATOM 1223 CA VAL A 818 -5.363 -6.412 61.099 1.00 22.16 C ATOM 1224 C VAL A 818 -4.803 -6.386 62.523 1.00 22.50 C ATOM 1225 O VAL A 818 -5.556 -6.445 63.498 1.00 21.45 O ATOM 1226 CB VAL A 818 -5.577 -7.884 60.663 1.00 24.10 C ATOM 1227 CG1 VAL A 818 -6.230 -7.928 59.295 1.00 25.54 C ATOM 1228 CG2 VAL A 818 -4.254 -8.624 60.642 1.00 26.61 C ATOM 0 H VAL A 818 -4.136 -6.194 59.561 1.00 20.06 H new ATOM 0 HA VAL A 818 -6.217 -5.953 61.081 1.00 22.16 H new ATOM 0 HB VAL A 818 -6.162 -8.320 61.303 1.00 24.10 H new ATOM 0 HG11 VAL A 818 -6.361 -8.851 59.028 1.00 25.54 H new ATOM 0 HG12 VAL A 818 -7.088 -7.477 59.331 1.00 25.54 H new ATOM 0 HG13 VAL A 818 -5.659 -7.483 58.649 1.00 25.54 H new ATOM 0 HG21 VAL A 818 -4.401 -9.543 60.368 1.00 26.61 H new ATOM 0 HG22 VAL A 818 -3.652 -8.193 60.016 1.00 26.61 H new ATOM 0 HG23 VAL A 818 -3.861 -8.611 61.529 1.00 26.61 H new ATOM 1229 N ASP A 819 -3.483 -6.291 62.648 1.00 22.25 N ATOM 1230 CA ASP A 819 -2.870 -6.248 63.972 1.00 23.53 C ATOM 1231 C ASP A 819 -2.924 -4.854 64.592 1.00 22.45 C ATOM 1232 O ASP A 819 -2.398 -4.630 65.682 1.00 21.22 O ATOM 1233 CB ASP A 819 -1.425 -6.745 63.914 1.00 27.77 C ATOM 1234 CG ASP A 819 -1.336 -8.254 63.778 1.00 32.44 C ATOM 1235 OD1 ASP A 819 -2.382 -8.930 63.907 1.00 35.88 O ATOM 1236 OD2 ASP A 819 -0.219 -8.768 63.554 1.00 37.89 O ATOM 0 H ASP A 819 -2.931 -6.251 61.990 1.00 22.25 H new ATOM 0 HA ASP A 819 -3.388 -6.838 64.542 1.00 23.53 H new ATOM 0 HB2 ASP A 819 -0.972 -6.328 63.164 1.00 27.77 H new ATOM 0 HB3 ASP A 819 -0.958 -6.467 64.717 1.00 27.77 H new ATOM 1237 N GLY A 820 -3.564 -3.926 63.887 1.00 20.94 N ATOM 1238 CA GLY A 820 -3.712 -2.571 64.385 1.00 20.68 C ATOM 1239 C GLY A 820 -2.570 -1.607 64.126 1.00 20.17 C ATOM 1240 O GLY A 820 -1.411 -2.006 63.987 1.00 19.10 O ATOM 0 H GLY A 820 -3.919 -4.065 63.116 1.00 20.94 H new ATOM 0 HA2 GLY A 820 -4.517 -2.194 63.996 1.00 20.68 H new ATOM 0 HA3 GLY A 820 -3.855 -2.617 65.343 1.00 20.68 H new ATOM 1241 N LEU A 821 -2.914 -0.324 64.056 1.00 19.32 N ATOM 1242 CA LEU A 821 -1.936 0.739 63.845 1.00 20.02 C ATOM 1243 C LEU A 821 -1.302 1.083 65.192 1.00 21.76 C ATOM 1244 O LEU A 821 -1.753 0.596 66.233 1.00 22.83 O ATOM 1245 CB LEU A 821 -2.628 1.978 63.275 1.00 18.22 C ATOM 1246 CG LEU A 821 -3.196 1.853 61.861 1.00 16.64 C ATOM 1247 CD1 LEU A 821 -4.084 3.048 61.554 1.00 15.91 C ATOM 1248 CD2 LEU A 821 -2.052 1.758 60.865 1.00 16.59 C ATOM 0 H LEU A 821 -3.724 -0.045 64.130 1.00 19.32 H new ATOM 0 HA LEU A 821 -1.257 0.444 63.218 1.00 20.02 H new ATOM 0 HB2 LEU A 821 -3.352 2.223 63.872 1.00 18.22 H new ATOM 0 HB3 LEU A 821 -1.993 2.711 63.283 1.00 18.22 H new ATOM 0 HG LEU A 821 -3.735 1.049 61.794 1.00 16.64 H new ATOM 0 HD11 LEU A 821 -4.441 2.964 60.656 1.00 15.91 H new ATOM 0 HD12 LEU A 821 -4.815 3.080 62.191 1.00 15.91 H new ATOM 0 HD13 LEU A 821 -3.563 3.864 61.619 1.00 15.91 H new ATOM 0 HD21 LEU A 821 -2.410 1.679 59.967 1.00 16.59 H new ATOM 0 HD22 LEU A 821 -1.504 2.556 60.925 1.00 16.59 H new ATOM 0 HD23 LEU A 821 -1.511 0.979 61.067 1.00 16.59 H new ATOM 1249 N LYS A 822 -0.261 1.915 65.171 1.00 21.54 N ATOM 1250 CA LYS A 822 0.422 2.329 66.399 1.00 23.66 C ATOM 1251 C LYS A 822 -0.603 2.926 67.352 1.00 24.04 C ATOM 1252 O LYS A 822 -0.679 2.546 68.521 1.00 25.49 O ATOM 1253 CB LYS A 822 1.492 3.379 66.094 1.00 25.76 C ATOM 1254 CG LYS A 822 2.924 2.927 66.324 1.00 32.76 C ATOM 1255 CD LYS A 822 3.403 1.991 65.232 1.00 35.09 C ATOM 1256 CE LYS A 822 4.901 1.743 65.349 1.00 35.73 C ATOM 1257 NZ LYS A 822 5.419 0.932 64.218 1.00 37.76 N ATOM 0 H LYS A 822 0.067 2.253 64.452 1.00 21.54 H new ATOM 0 HA LYS A 822 0.850 1.556 66.799 1.00 23.66 H new ATOM 0 HB2 LYS A 822 1.400 3.655 65.169 1.00 25.76 H new ATOM 0 HB3 LYS A 822 1.323 4.161 66.642 1.00 25.76 H new ATOM 0 HG2 LYS A 822 3.505 3.703 66.363 1.00 32.76 H new ATOM 0 HG3 LYS A 822 2.988 2.481 67.183 1.00 32.76 H new ATOM 0 HD2 LYS A 822 2.926 1.148 65.291 1.00 35.09 H new ATOM 0 HD3 LYS A 822 3.201 2.371 64.363 1.00 35.09 H new ATOM 0 HE2 LYS A 822 5.368 2.593 65.377 1.00 35.73 H new ATOM 0 HE3 LYS A 822 5.089 1.288 66.185 1.00 35.73 H new ATOM 0 HZ1 LYS A 822 6.294 0.807 64.319 1.00 37.76 H new ATOM 0 HZ2 LYS A 822 5.007 0.143 64.205 1.00 37.76 H new ATOM 0 HZ3 LYS A 822 5.267 1.359 63.452 1.00 37.76 H new ATOM 1258 N ASN A 823 -1.376 3.881 66.848 1.00 23.69 N ATOM 1259 CA ASN A 823 -2.427 4.504 67.637 1.00 23.30 C ATOM 1260 C ASN A 823 -3.701 4.392 66.814 1.00 22.06 C ATOM 1261 O ASN A 823 -4.096 5.324 66.111 1.00 21.25 O ATOM 1262 CB ASN A 823 -2.125 5.971 67.923 1.00 25.24 C ATOM 1263 CG ASN A 823 -2.988 6.522 69.038 1.00 30.28 C ATOM 1264 OD1 ASN A 823 -4.211 6.358 69.031 1.00 30.57 O ATOM 1265 ND2 ASN A 823 -2.358 7.176 70.009 1.00 33.36 N ATOM 0 H ASN A 823 -1.306 4.183 66.046 1.00 23.69 H new ATOM 0 HA ASN A 823 -2.507 4.062 68.497 1.00 23.30 H new ATOM 0 HB2 ASN A 823 -1.190 6.067 68.162 1.00 25.24 H new ATOM 0 HB3 ASN A 823 -2.267 6.492 67.118 1.00 25.24 H new ATOM 0 HD21 ASN A 823 -2.805 7.505 70.666 1.00 33.36 H new ATOM 0 HD22 ASN A 823 -1.504 7.270 69.980 1.00 33.36 H new ATOM 1266 N GLN A 824 -4.325 3.225 66.901 1.00 20.74 N ATOM 1267 CA GLN A 824 -5.544 2.937 66.163 1.00 20.04 C ATOM 1268 C GLN A 824 -6.672 3.905 66.502 1.00 20.42 C ATOM 1269 O GLN A 824 -7.430 4.312 65.626 1.00 19.80 O ATOM 1270 CB GLN A 824 -5.981 1.499 66.450 1.00 20.00 C ATOM 1271 CG GLN A 824 -7.136 1.002 65.599 1.00 20.67 C ATOM 1272 CD GLN A 824 -6.788 0.936 64.125 1.00 20.95 C ATOM 1273 OE1 GLN A 824 -5.776 0.351 63.741 1.00 20.75 O ATOM 1274 NE2 GLN A 824 -7.633 1.531 63.289 1.00 20.86 N ATOM 0 H GLN A 824 -4.051 2.575 67.393 1.00 20.74 H new ATOM 0 HA GLN A 824 -5.352 3.047 65.219 1.00 20.04 H new ATOM 0 HB2 GLN A 824 -5.221 0.911 66.317 1.00 20.00 H new ATOM 0 HB3 GLN A 824 -6.232 1.431 67.385 1.00 20.00 H new ATOM 0 HG2 GLN A 824 -7.403 0.121 65.905 1.00 20.67 H new ATOM 0 HG3 GLN A 824 -7.899 1.588 65.722 1.00 20.67 H new ATOM 0 HE21 GLN A 824 -8.331 1.930 63.595 1.00 20.86 H new ATOM 0 HE22 GLN A 824 -7.482 1.516 62.442 1.00 20.86 H new ATOM 1275 N LYS A 825 -6.777 4.286 67.770 1.00 21.16 N ATOM 1276 CA LYS A 825 -7.836 5.194 68.188 1.00 22.54 C ATOM 1277 C LYS A 825 -7.803 6.540 67.471 1.00 21.84 C ATOM 1278 O LYS A 825 -8.848 7.049 67.065 1.00 21.44 O ATOM 1279 CB LYS A 825 -7.797 5.383 69.709 1.00 25.19 C ATOM 1280 CG LYS A 825 -8.148 4.110 70.461 1.00 29.97 C ATOM 1281 CD LYS A 825 -8.193 4.308 71.970 1.00 33.95 C ATOM 1282 CE LYS A 825 -8.583 3.011 72.668 1.00 34.18 C ATOM 1283 NZ LYS A 825 -8.664 3.153 74.147 1.00 38.74 N ATOM 0 H LYS A 825 -6.249 4.032 68.400 1.00 21.16 H new ATOM 0 HA LYS A 825 -8.675 4.780 67.933 1.00 22.54 H new ATOM 0 HB2 LYS A 825 -6.911 5.678 69.973 1.00 25.19 H new ATOM 0 HB3 LYS A 825 -8.417 6.086 69.961 1.00 25.19 H new ATOM 0 HG2 LYS A 825 -9.010 3.787 70.156 1.00 29.97 H new ATOM 0 HG3 LYS A 825 -7.496 3.424 70.249 1.00 29.97 H new ATOM 0 HD2 LYS A 825 -7.326 4.605 72.289 1.00 33.95 H new ATOM 0 HD3 LYS A 825 -8.830 5.005 72.191 1.00 33.95 H new ATOM 0 HE2 LYS A 825 -9.441 2.711 72.329 1.00 34.18 H new ATOM 0 HE3 LYS A 825 -7.935 2.323 72.448 1.00 34.18 H new ATOM 0 HZ1 LYS A 825 -8.894 2.373 74.508 1.00 38.74 H new ATOM 0 HZ2 LYS A 825 -7.872 3.405 74.465 1.00 38.74 H new ATOM 0 HZ3 LYS A 825 -9.275 3.767 74.354 1.00 38.74 H new ATOM 1284 N PHE A 826 -6.619 7.119 67.299 1.00 21.50 N ATOM 1285 CA PHE A 826 -6.533 8.398 66.604 1.00 22.02 C ATOM 1286 C PHE A 826 -6.979 8.222 65.157 1.00 19.68 C ATOM 1287 O PHE A 826 -7.635 9.094 64.593 1.00 21.14 O ATOM 1288 CB PHE A 826 -5.106 8.961 66.637 1.00 23.81 C ATOM 1289 CG PHE A 826 -4.695 9.507 67.976 1.00 29.49 C ATOM 1290 CD1 PHE A 826 -5.642 10.019 68.858 1.00 31.58 C ATOM 1291 CD2 PHE A 826 -3.353 9.541 68.343 1.00 31.44 C ATOM 1292 CE1 PHE A 826 -5.260 10.560 70.088 1.00 33.51 C ATOM 1293 CE2 PHE A 826 -2.960 10.080 69.569 1.00 33.26 C ATOM 1294 CZ PHE A 826 -3.916 10.589 70.441 1.00 33.39 C ATOM 0 H PHE A 826 -5.869 6.797 67.570 1.00 21.50 H new ATOM 0 HA PHE A 826 -7.115 9.027 67.058 1.00 22.02 H new ATOM 0 HB2 PHE A 826 -4.486 8.261 66.379 1.00 23.81 H new ATOM 0 HB3 PHE A 826 -5.030 9.665 65.974 1.00 23.81 H new ATOM 0 HD1 PHE A 826 -6.542 10.001 68.625 1.00 31.58 H new ATOM 0 HD2 PHE A 826 -2.710 9.200 67.764 1.00 31.44 H new ATOM 0 HE1 PHE A 826 -5.903 10.899 70.668 1.00 33.51 H new ATOM 0 HE2 PHE A 826 -2.060 10.099 69.802 1.00 33.26 H new ATOM 0 HZ PHE A 826 -3.657 10.948 71.259 1.00 33.39 H new ATOM 1295 N PHE A 827 -6.626 7.089 64.558 1.00 18.76 N ATOM 1296 CA PHE A 827 -7.016 6.824 63.183 1.00 16.72 C ATOM 1297 C PHE A 827 -8.536 6.700 63.082 1.00 17.17 C ATOM 1298 O PHE A 827 -9.161 7.300 62.201 1.00 17.01 O ATOM 1299 CB PHE A 827 -6.350 5.541 62.676 1.00 15.18 C ATOM 1300 CG PHE A 827 -6.826 5.112 61.320 1.00 16.45 C ATOM 1301 CD1 PHE A 827 -8.006 4.385 61.179 1.00 15.71 C ATOM 1302 CD2 PHE A 827 -6.107 5.452 60.177 1.00 15.32 C ATOM 1303 CE1 PHE A 827 -8.464 4.003 59.919 1.00 16.25 C ATOM 1304 CE2 PHE A 827 -6.554 5.076 58.912 1.00 16.49 C ATOM 1305 CZ PHE A 827 -7.737 4.348 58.784 1.00 16.36 C ATOM 0 H PHE A 827 -6.164 6.466 64.929 1.00 18.76 H new ATOM 0 HA PHE A 827 -6.723 7.565 62.630 1.00 16.72 H new ATOM 0 HB2 PHE A 827 -5.390 5.674 62.646 1.00 15.18 H new ATOM 0 HB3 PHE A 827 -6.517 4.826 63.310 1.00 15.18 H new ATOM 0 HD1 PHE A 827 -8.494 4.152 61.935 1.00 15.71 H new ATOM 0 HD2 PHE A 827 -5.318 5.937 60.259 1.00 15.32 H new ATOM 0 HE1 PHE A 827 -9.254 3.519 59.837 1.00 16.25 H new ATOM 0 HE2 PHE A 827 -6.066 5.310 58.156 1.00 16.49 H new ATOM 0 HZ PHE A 827 -8.039 4.094 57.942 1.00 16.36 H new ATOM 1306 N ASP A 828 -9.129 5.924 63.986 1.00 16.96 N ATOM 1307 CA ASP A 828 -10.577 5.734 63.971 1.00 18.30 C ATOM 1308 C ASP A 828 -11.289 7.076 64.072 1.00 18.29 C ATOM 1309 O ASP A 828 -12.276 7.327 63.374 1.00 18.39 O ATOM 1310 CB ASP A 828 -11.030 4.840 65.137 1.00 19.09 C ATOM 1311 CG ASP A 828 -10.476 3.427 65.052 1.00 22.52 C ATOM 1312 OD1 ASP A 828 -10.153 2.975 63.936 1.00 21.65 O ATOM 1313 OD2 ASP A 828 -10.382 2.760 66.107 1.00 23.55 O ATOM 0 H ASP A 828 -8.715 5.502 64.611 1.00 16.96 H new ATOM 0 HA ASP A 828 -10.807 5.302 63.133 1.00 18.30 H new ATOM 0 HB2 ASP A 828 -10.750 5.242 65.974 1.00 19.09 H new ATOM 0 HB3 ASP A 828 -11.999 4.802 65.151 1.00 19.09 H new ATOM 1314 N GLU A 829 -10.781 7.940 64.944 1.00 18.53 N ATOM 1315 CA GLU A 829 -11.379 9.252 65.150 1.00 20.79 C ATOM 1316 C GLU A 829 -11.275 10.120 63.900 1.00 20.16 C ATOM 1317 O GLU A 829 -12.235 10.789 63.516 1.00 19.64 O ATOM 1318 CB GLU A 829 -10.706 9.944 66.341 1.00 23.96 C ATOM 1319 CG GLU A 829 -11.410 11.207 66.810 1.00 32.10 C ATOM 1320 CD GLU A 829 -10.755 12.476 66.296 1.00 37.19 C ATOM 1321 OE1 GLU A 829 -10.600 12.614 65.064 1.00 40.45 O ATOM 1322 OE2 GLU A 829 -10.398 13.338 67.129 1.00 40.05 O ATOM 0 H GLU A 829 -10.087 7.784 65.428 1.00 18.53 H new ATOM 0 HA GLU A 829 -12.322 9.129 65.339 1.00 20.79 H new ATOM 0 HB2 GLU A 829 -10.659 9.319 67.081 1.00 23.96 H new ATOM 0 HB3 GLU A 829 -9.793 10.166 66.099 1.00 23.96 H new ATOM 0 HG2 GLU A 829 -12.334 11.184 66.516 1.00 32.10 H new ATOM 0 HG3 GLU A 829 -11.421 11.224 67.780 1.00 32.10 H new ATOM 1323 N LEU A 830 -10.111 10.103 63.260 1.00 20.09 N ATOM 1324 CA LEU A 830 -9.905 10.901 62.059 1.00 20.58 C ATOM 1325 C LEU A 830 -10.811 10.409 60.930 1.00 19.50 C ATOM 1326 O LEU A 830 -11.457 11.208 60.249 1.00 20.39 O ATOM 1327 CB LEU A 830 -8.435 10.835 61.630 1.00 21.00 C ATOM 1328 CG LEU A 830 -8.031 11.749 60.471 1.00 22.37 C ATOM 1329 CD1 LEU A 830 -8.337 13.202 60.823 1.00 23.07 C ATOM 1330 CD2 LEU A 830 -6.551 11.572 60.180 1.00 22.98 C ATOM 0 H LEU A 830 -9.430 9.638 63.504 1.00 20.09 H new ATOM 0 HA LEU A 830 -10.132 11.823 62.255 1.00 20.58 H new ATOM 0 HB2 LEU A 830 -7.883 11.053 62.397 1.00 21.00 H new ATOM 0 HB3 LEU A 830 -8.230 9.920 61.383 1.00 21.00 H new ATOM 0 HG LEU A 830 -8.538 11.512 59.679 1.00 22.37 H new ATOM 0 HD11 LEU A 830 -8.079 13.775 60.085 1.00 23.07 H new ATOM 0 HD12 LEU A 830 -9.287 13.301 60.992 1.00 23.07 H new ATOM 0 HD13 LEU A 830 -7.840 13.454 61.617 1.00 23.07 H new ATOM 0 HD21 LEU A 830 -6.294 12.151 59.445 1.00 22.98 H new ATOM 0 HD22 LEU A 830 -6.036 11.803 60.969 1.00 22.98 H new ATOM 0 HD23 LEU A 830 -6.376 10.649 59.940 1.00 22.98 H new ATOM 1331 N ARG A 831 -10.867 9.094 60.744 1.00 18.24 N ATOM 1332 CA ARG A 831 -11.706 8.511 59.702 1.00 18.17 C ATOM 1333 C ARG A 831 -13.167 8.898 59.929 1.00 19.10 C ATOM 1334 O ARG A 831 -13.883 9.249 58.988 1.00 18.65 O ATOM 1335 CB ARG A 831 -11.566 6.986 59.698 1.00 17.89 C ATOM 1336 CG ARG A 831 -12.504 6.273 58.727 1.00 20.66 C ATOM 1337 CD ARG A 831 -12.443 4.759 58.928 1.00 21.51 C ATOM 1338 NE ARG A 831 -13.594 4.059 58.356 1.00 24.35 N ATOM 1339 CZ ARG A 831 -13.777 3.855 57.057 1.00 23.61 C ATOM 1340 NH1 ARG A 831 -12.883 4.297 56.178 1.00 27.95 N ATOM 1341 NH2 ARG A 831 -14.850 3.204 56.632 1.00 18.77 N ATOM 0 H ARG A 831 -10.427 8.521 61.211 1.00 18.24 H new ATOM 0 HA ARG A 831 -11.416 8.854 58.842 1.00 18.17 H new ATOM 0 HB2 ARG A 831 -10.650 6.756 59.475 1.00 17.89 H new ATOM 0 HB3 ARG A 831 -11.731 6.654 60.594 1.00 17.89 H new ATOM 0 HG2 ARG A 831 -13.413 6.585 58.860 1.00 20.66 H new ATOM 0 HG3 ARG A 831 -12.260 6.493 57.814 1.00 20.66 H new ATOM 0 HD2 ARG A 831 -11.630 4.417 58.525 1.00 21.51 H new ATOM 0 HD3 ARG A 831 -12.392 4.566 59.877 1.00 21.51 H new ATOM 0 HE ARG A 831 -14.192 3.760 58.897 1.00 24.35 H new ATOM 0 HH11 ARG A 831 -12.183 4.717 56.450 1.00 27.95 H new ATOM 0 HH12 ARG A 831 -13.004 4.163 55.337 1.00 27.95 H new ATOM 0 HH21 ARG A 831 -15.429 2.913 57.198 1.00 18.77 H new ATOM 0 HH22 ARG A 831 -14.968 3.072 55.790 1.00 18.77 H new ATOM 1342 N MET A 832 -13.606 8.843 61.182 1.00 18.27 N ATOM 1343 CA MET A 832 -14.983 9.195 61.503 1.00 19.57 C ATOM 1344 C MET A 832 -15.278 10.654 61.163 1.00 19.27 C ATOM 1345 O MET A 832 -16.377 10.982 60.709 1.00 18.82 O ATOM 1346 CB MET A 832 -15.269 8.935 62.983 1.00 21.69 C ATOM 1347 CG MET A 832 -16.731 9.094 63.349 1.00 25.93 C ATOM 1348 SD MET A 832 -17.796 8.258 62.155 1.00 33.35 S ATOM 1349 CE MET A 832 -17.262 6.556 62.347 1.00 25.63 C ATOM 0 H MET A 832 -13.127 8.606 61.856 1.00 18.27 H new ATOM 0 HA MET A 832 -15.564 8.636 60.964 1.00 19.57 H new ATOM 0 HB2 MET A 832 -14.982 8.036 63.208 1.00 21.69 H new ATOM 0 HB3 MET A 832 -14.740 9.545 63.520 1.00 21.69 H new ATOM 0 HG2 MET A 832 -16.887 8.731 64.235 1.00 25.93 H new ATOM 0 HG3 MET A 832 -16.958 10.036 63.384 1.00 25.93 H new ATOM 0 HE1 MET A 832 -17.869 5.970 61.869 1.00 25.63 H new ATOM 0 HE2 MET A 832 -16.366 6.455 61.988 1.00 25.63 H new ATOM 0 HE3 MET A 832 -17.261 6.321 63.288 1.00 25.63 H new ATOM 1350 N ASN A 833 -14.303 11.533 61.381 1.00 19.18 N ATOM 1351 CA ASN A 833 -14.507 12.942 61.071 1.00 19.40 C ATOM 1352 C ASN A 833 -14.643 13.162 59.567 1.00 19.22 C ATOM 1353 O ASN A 833 -15.395 14.031 59.129 1.00 20.09 O ATOM 1354 CB ASN A 833 -13.365 13.796 61.629 1.00 22.09 C ATOM 1355 CG ASN A 833 -13.444 13.953 63.134 1.00 26.21 C ATOM 1356 OD1 ASN A 833 -14.532 14.067 63.699 1.00 29.74 O ATOM 1357 ND2 ASN A 833 -12.293 13.976 63.789 1.00 27.64 N ATOM 0 H ASN A 833 -13.530 11.338 61.702 1.00 19.18 H new ATOM 0 HA ASN A 833 -15.335 13.217 61.495 1.00 19.40 H new ATOM 0 HB2 ASN A 833 -12.516 13.391 61.393 1.00 22.09 H new ATOM 0 HB3 ASN A 833 -13.387 14.672 61.213 1.00 22.09 H new ATOM 0 HD21 ASN A 833 -12.286 14.074 64.643 1.00 27.64 H new ATOM 0 HD22 ASN A 833 -11.552 13.893 63.360 1.00 27.64 H new ATOM 1358 N TYR A 834 -13.921 12.379 58.771 1.00 17.39 N ATOM 1359 CA TYR A 834 -14.030 12.522 57.325 1.00 16.95 C ATOM 1360 C TYR A 834 -15.373 11.996 56.832 1.00 16.77 C ATOM 1361 O TYR A 834 -15.938 12.513 55.865 1.00 16.08 O ATOM 1362 CB TYR A 834 -12.874 11.810 56.618 1.00 15.80 C ATOM 1363 CG TYR A 834 -11.658 12.697 56.521 1.00 15.76 C ATOM 1364 CD1 TYR A 834 -10.835 12.910 57.628 1.00 16.54 C ATOM 1365 CD2 TYR A 834 -11.386 13.406 55.349 1.00 16.51 C ATOM 1366 CE1 TYR A 834 -9.773 13.813 57.571 1.00 16.93 C ATOM 1367 CE2 TYR A 834 -10.328 14.311 55.283 1.00 16.24 C ATOM 1368 CZ TYR A 834 -9.531 14.511 56.394 1.00 16.83 C ATOM 1369 OH TYR A 834 -8.502 15.424 56.331 1.00 16.33 O ATOM 0 H TYR A 834 -13.374 11.772 59.041 1.00 17.39 H new ATOM 0 HA TYR A 834 -13.977 13.466 57.110 1.00 16.95 H new ATOM 0 HB2 TYR A 834 -12.648 11.000 57.101 1.00 15.80 H new ATOM 0 HB3 TYR A 834 -13.153 11.542 55.728 1.00 15.80 H new ATOM 0 HD1 TYR A 834 -10.997 12.443 58.416 1.00 16.54 H new ATOM 0 HD2 TYR A 834 -11.920 13.272 54.600 1.00 16.51 H new ATOM 0 HE1 TYR A 834 -9.231 13.947 58.315 1.00 16.93 H new ATOM 0 HE2 TYR A 834 -10.160 14.777 54.496 1.00 16.24 H new ATOM 0 HH TYR A 834 -8.206 15.567 57.104 1.00 16.33 H new ATOM 1370 N ILE A 835 -15.892 10.970 57.496 1.00 15.30 N ATOM 1371 CA ILE A 835 -17.191 10.430 57.113 1.00 16.96 C ATOM 1372 C ILE A 835 -18.237 11.493 57.448 1.00 16.89 C ATOM 1373 O ILE A 835 -19.192 11.699 56.696 1.00 16.77 O ATOM 1374 CB ILE A 835 -17.489 9.113 57.867 1.00 17.98 C ATOM 1375 CG1 ILE A 835 -16.551 8.019 57.346 1.00 19.95 C ATOM 1376 CG2 ILE A 835 -18.954 8.696 57.668 1.00 18.88 C ATOM 1377 CD1 ILE A 835 -16.636 6.701 58.088 1.00 20.53 C ATOM 0 H ILE A 835 -15.515 10.577 58.162 1.00 15.30 H new ATOM 0 HA ILE A 835 -17.205 10.221 56.166 1.00 16.96 H new ATOM 0 HB ILE A 835 -17.341 9.246 58.816 1.00 17.98 H new ATOM 0 HG12 ILE A 835 -16.748 7.861 56.409 1.00 19.95 H new ATOM 0 HG13 ILE A 835 -15.638 8.344 57.393 1.00 19.95 H new ATOM 0 HG21 ILE A 835 -19.123 7.870 58.147 1.00 18.88 H new ATOM 0 HG22 ILE A 835 -19.538 9.392 58.008 1.00 18.88 H new ATOM 0 HG23 ILE A 835 -19.127 8.563 56.723 1.00 18.88 H new ATOM 0 HD11 ILE A 835 -16.014 6.068 57.697 1.00 20.53 H new ATOM 0 HD12 ILE A 835 -16.411 6.840 59.021 1.00 20.53 H new ATOM 0 HD13 ILE A 835 -17.538 6.350 58.022 1.00 20.53 H new ATOM 1378 N LYS A 836 -18.034 12.177 58.571 1.00 17.34 N ATOM 1379 CA LYS A 836 -18.941 13.236 59.008 1.00 18.65 C ATOM 1380 C LYS A 836 -18.969 14.361 57.973 1.00 18.80 C ATOM 1381 O LYS A 836 -20.025 14.917 57.678 1.00 16.50 O ATOM 1382 CB LYS A 836 -18.490 13.795 60.360 1.00 22.21 C ATOM 1383 CG LYS A 836 -19.426 14.831 60.957 1.00 28.27 C ATOM 1384 CD LYS A 836 -18.846 15.429 62.237 1.00 34.31 C ATOM 1385 CE LYS A 836 -18.599 14.367 63.300 1.00 36.68 C ATOM 1386 NZ LYS A 836 -17.991 14.947 64.534 1.00 40.83 N ATOM 0 H LYS A 836 -17.369 12.041 59.100 1.00 17.34 H new ATOM 0 HA LYS A 836 -19.831 12.863 59.100 1.00 18.65 H new ATOM 0 HB2 LYS A 836 -18.398 13.060 60.986 1.00 22.21 H new ATOM 0 HB3 LYS A 836 -17.611 14.192 60.256 1.00 22.21 H new ATOM 0 HG2 LYS A 836 -19.585 15.537 60.311 1.00 28.27 H new ATOM 0 HG3 LYS A 836 -20.285 14.422 61.148 1.00 28.27 H new ATOM 0 HD2 LYS A 836 -18.013 15.882 62.033 1.00 34.31 H new ATOM 0 HD3 LYS A 836 -19.455 16.099 62.585 1.00 34.31 H new ATOM 0 HE2 LYS A 836 -19.437 13.934 63.525 1.00 36.68 H new ATOM 0 HE3 LYS A 836 -18.013 13.682 62.942 1.00 36.68 H new ATOM 0 HZ1 LYS A 836 -17.860 14.301 65.133 1.00 40.83 H new ATOM 0 HZ2 LYS A 836 -17.211 15.325 64.331 1.00 40.83 H new ATOM 0 HZ3 LYS A 836 -18.538 15.561 64.875 1.00 40.83 H new ATOM 1387 N GLU A 837 -17.805 14.698 57.427 1.00 17.38 N ATOM 1388 CA GLU A 837 -17.730 15.748 56.417 1.00 18.09 C ATOM 1389 C GLU A 837 -18.446 15.311 55.140 1.00 17.14 C ATOM 1390 O GLU A 837 -19.034 16.137 54.438 1.00 17.03 O ATOM 1391 CB GLU A 837 -16.269 16.098 56.107 1.00 18.00 C ATOM 1392 CG GLU A 837 -15.548 16.818 57.243 1.00 21.00 C ATOM 1393 CD GLU A 837 -16.327 18.020 57.759 1.00 24.13 C ATOM 1394 OE1 GLU A 837 -16.784 18.836 56.932 1.00 24.48 O ATOM 1395 OE2 GLU A 837 -16.483 18.149 58.993 1.00 27.44 O ATOM 0 H GLU A 837 -17.052 14.334 57.626 1.00 17.38 H new ATOM 0 HA GLU A 837 -18.169 16.538 56.768 1.00 18.09 H new ATOM 0 HB2 GLU A 837 -15.788 15.282 55.897 1.00 18.00 H new ATOM 0 HB3 GLU A 837 -16.241 16.656 55.314 1.00 18.00 H new ATOM 0 HG2 GLU A 837 -15.398 16.196 57.972 1.00 21.00 H new ATOM 0 HG3 GLU A 837 -14.676 17.110 56.935 1.00 21.00 H new ATOM 1396 N LEU A 838 -18.397 14.016 54.831 1.00 16.34 N ATOM 1397 CA LEU A 838 -19.076 13.519 53.639 1.00 16.88 C ATOM 1398 C LEU A 838 -20.580 13.659 53.862 1.00 18.45 C ATOM 1399 O LEU A 838 -21.323 13.996 52.938 1.00 17.75 O ATOM 1400 CB LEU A 838 -18.720 12.052 53.361 1.00 17.26 C ATOM 1401 CG LEU A 838 -19.319 11.486 52.065 1.00 16.61 C ATOM 1402 CD1 LEU A 838 -18.839 12.300 50.862 1.00 18.30 C ATOM 1403 CD2 LEU A 838 -18.921 10.029 51.907 1.00 18.24 C ATOM 0 H LEU A 838 -17.983 13.419 55.291 1.00 16.34 H new ATOM 0 HA LEU A 838 -18.792 14.035 52.868 1.00 16.88 H new ATOM 0 HB2 LEU A 838 -17.755 11.967 53.322 1.00 17.26 H new ATOM 0 HB3 LEU A 838 -19.022 11.511 54.107 1.00 17.26 H new ATOM 0 HG LEU A 838 -20.286 11.545 52.112 1.00 16.61 H new ATOM 0 HD11 LEU A 838 -19.223 11.934 50.050 1.00 18.30 H new ATOM 0 HD12 LEU A 838 -19.118 13.223 50.964 1.00 18.30 H new ATOM 0 HD13 LEU A 838 -17.871 12.259 50.809 1.00 18.30 H new ATOM 0 HD21 LEU A 838 -19.302 9.676 51.087 1.00 18.24 H new ATOM 0 HD22 LEU A 838 -17.954 9.960 51.870 1.00 18.24 H new ATOM 0 HD23 LEU A 838 -19.253 9.519 52.663 1.00 18.24 H new ATOM 1404 N ASP A 839 -21.024 13.403 55.092 1.00 19.05 N ATOM 1405 CA ASP A 839 -22.443 13.533 55.419 1.00 19.98 C ATOM 1406 C ASP A 839 -22.887 14.970 55.174 1.00 20.05 C ATOM 1407 O ASP A 839 -23.943 15.215 54.588 1.00 20.90 O ATOM 1408 CB ASP A 839 -22.716 13.195 56.890 1.00 19.56 C ATOM 1409 CG ASP A 839 -22.694 11.707 57.170 1.00 21.14 C ATOM 1410 OD1 ASP A 839 -23.004 10.919 56.253 1.00 21.48 O ATOM 1411 OD2 ASP A 839 -22.383 11.331 58.320 1.00 23.48 O ATOM 0 H ASP A 839 -20.524 13.155 55.747 1.00 19.05 H new ATOM 0 HA ASP A 839 -22.933 12.913 54.857 1.00 19.98 H new ATOM 0 HB2 ASP A 839 -22.053 13.633 57.446 1.00 19.56 H new ATOM 0 HB3 ASP A 839 -23.581 13.554 57.144 1.00 19.56 H new ATOM 1412 N ARG A 840 -22.075 15.916 55.634 1.00 20.30 N ATOM 1413 CA ARG A 840 -22.391 17.331 55.486 1.00 20.96 C ATOM 1414 C ARG A 840 -22.464 17.759 54.029 1.00 20.50 C ATOM 1415 O ARG A 840 -23.308 18.570 53.656 1.00 20.31 O ATOM 1416 CB ARG A 840 -21.362 18.178 56.239 1.00 22.82 C ATOM 1417 CG ARG A 840 -21.395 17.953 57.740 1.00 29.96 C ATOM 1418 CD ARG A 840 -20.330 18.752 58.470 1.00 35.28 C ATOM 1419 NE ARG A 840 -20.334 18.447 59.898 1.00 39.35 N ATOM 1420 CZ ARG A 840 -19.457 18.931 60.771 1.00 41.43 C ATOM 1421 NH1 ARG A 840 -18.496 19.751 60.367 1.00 42.93 N ATOM 1422 NH2 ARG A 840 -19.543 18.594 62.051 1.00 42.23 N ATOM 0 H ARG A 840 -21.332 15.758 56.037 1.00 20.30 H new ATOM 0 HA ARG A 840 -23.271 17.473 55.868 1.00 20.96 H new ATOM 0 HB2 ARG A 840 -20.475 17.973 55.905 1.00 22.82 H new ATOM 0 HB3 ARG A 840 -21.525 19.116 56.054 1.00 22.82 H new ATOM 0 HG2 ARG A 840 -22.269 18.197 58.082 1.00 29.96 H new ATOM 0 HG3 ARG A 840 -21.271 17.009 57.926 1.00 29.96 H new ATOM 0 HD2 ARG A 840 -19.458 18.552 58.096 1.00 35.28 H new ATOM 0 HD3 ARG A 840 -20.485 19.700 58.338 1.00 35.28 H new ATOM 0 HE ARG A 840 -20.945 17.919 60.194 1.00 39.35 H new ATOM 0 HH11 ARG A 840 -18.439 19.971 59.538 1.00 42.93 H new ATOM 0 HH12 ARG A 840 -17.930 20.063 60.934 1.00 42.93 H new ATOM 0 HH21 ARG A 840 -20.166 18.063 62.315 1.00 42.23 H new ATOM 0 HH22 ARG A 840 -18.976 18.907 62.617 1.00 42.23 H new ATOM 1423 N ILE A 841 -21.585 17.207 53.202 1.00 19.00 N ATOM 1424 CA ILE A 841 -21.575 17.541 51.783 1.00 18.66 C ATOM 1425 C ILE A 841 -22.829 17.002 51.106 1.00 20.15 C ATOM 1426 O ILE A 841 -23.392 17.644 50.222 1.00 20.42 O ATOM 1427 CB ILE A 841 -20.317 16.966 51.098 1.00 18.22 C ATOM 1428 CG1 ILE A 841 -19.087 17.751 51.571 1.00 17.00 C ATOM 1429 CG2 ILE A 841 -20.457 17.039 49.575 1.00 19.57 C ATOM 1430 CD1 ILE A 841 -17.764 17.146 51.141 1.00 18.29 C ATOM 0 H ILE A 841 -20.987 16.638 53.441 1.00 19.00 H new ATOM 0 HA ILE A 841 -21.560 18.507 51.697 1.00 18.66 H new ATOM 0 HB ILE A 841 -20.212 16.033 51.341 1.00 18.22 H new ATOM 0 HG12 ILE A 841 -19.143 18.658 51.230 1.00 17.00 H new ATOM 0 HG13 ILE A 841 -19.105 17.810 52.539 1.00 17.00 H new ATOM 0 HG21 ILE A 841 -19.660 16.675 49.159 1.00 19.57 H new ATOM 0 HG22 ILE A 841 -21.231 16.525 49.296 1.00 19.57 H new ATOM 0 HG23 ILE A 841 -20.569 17.964 49.304 1.00 19.57 H new ATOM 0 HD11 ILE A 841 -17.035 17.692 51.474 1.00 18.29 H new ATOM 0 HD12 ILE A 841 -17.686 16.249 51.501 1.00 18.29 H new ATOM 0 HD13 ILE A 841 -17.724 17.110 50.173 1.00 18.29 H new ATOM 1431 N ILE A 842 -23.263 15.821 51.533 1.00 20.07 N ATOM 1432 CA ILE A 842 -24.460 15.195 50.978 1.00 21.41 C ATOM 1433 C ILE A 842 -25.725 15.946 51.391 1.00 23.21 C ATOM 1434 O ILE A 842 -26.670 16.066 50.610 1.00 23.49 O ATOM 1435 CB ILE A 842 -24.589 13.732 51.460 1.00 20.19 C ATOM 1436 CG1 ILE A 842 -23.495 12.877 50.816 1.00 19.52 C ATOM 1437 CG2 ILE A 842 -25.973 13.185 51.123 1.00 20.20 C ATOM 1438 CD1 ILE A 842 -23.447 11.445 51.346 1.00 17.87 C ATOM 0 H ILE A 842 -22.876 15.362 52.148 1.00 20.07 H new ATOM 0 HA ILE A 842 -24.368 15.221 50.013 1.00 21.41 H new ATOM 0 HB ILE A 842 -24.479 13.702 52.423 1.00 20.19 H new ATOM 0 HG12 ILE A 842 -23.636 12.854 49.857 1.00 19.52 H new ATOM 0 HG13 ILE A 842 -22.635 13.299 50.967 1.00 19.52 H new ATOM 0 HG21 ILE A 842 -26.042 12.267 51.430 1.00 20.20 H new ATOM 0 HG22 ILE A 842 -26.650 13.724 51.562 1.00 20.20 H new ATOM 0 HG23 ILE A 842 -26.108 13.215 50.163 1.00 20.20 H new ATOM 0 HD11 ILE A 842 -22.736 10.958 50.900 1.00 17.87 H new ATOM 0 HD12 ILE A 842 -23.279 11.459 52.301 1.00 17.87 H new ATOM 0 HD13 ILE A 842 -24.295 11.007 51.174 1.00 17.87 H new ATOM 1439 N ALA A 843 -25.732 16.450 52.620 1.00 24.57 N ATOM 1440 CA ALA A 843 -26.889 17.161 53.153 1.00 27.99 C ATOM 1441 C ALA A 843 -26.986 18.616 52.710 1.00 30.82 C ATOM 1442 O ALA A 843 -27.999 19.272 52.952 1.00 32.53 O ATOM 1443 CB ALA A 843 -26.873 17.090 54.670 1.00 28.84 C ATOM 0 H ALA A 843 -25.070 16.390 53.166 1.00 24.57 H new ATOM 0 HA ALA A 843 -27.671 16.716 52.791 1.00 27.99 H new ATOM 0 HB1 ALA A 843 -27.642 17.563 55.024 1.00 28.84 H new ATOM 0 HB2 ALA A 843 -26.906 16.162 54.951 1.00 28.84 H new ATOM 0 HB3 ALA A 843 -26.060 17.500 55.005 1.00 28.84 H new ATOM 1444 N CYS A 844 -25.939 19.115 52.061 1.00 32.19 N ATOM 1445 CA CYS A 844 -25.914 20.502 51.607 1.00 35.64 C ATOM 1446 C CYS A 844 -27.211 20.945 50.931 1.00 37.91 C ATOM 1447 O CYS A 844 -27.925 21.803 51.451 1.00 38.96 O ATOM 1448 CB CYS A 844 -24.740 20.724 50.653 1.00 35.53 C ATOM 1449 SG CYS A 844 -24.604 22.424 50.049 1.00 38.23 S ATOM 0 H CYS A 844 -25.230 18.665 51.873 1.00 32.19 H new ATOM 0 HA CYS A 844 -25.811 21.045 52.404 1.00 35.64 H new ATOM 0 HB2 CYS A 844 -23.916 20.483 51.105 1.00 35.53 H new ATOM 0 HB3 CYS A 844 -24.833 20.126 49.895 1.00 35.53 H new ATOM 0 HG CYS A 844 -23.661 22.513 49.312 1.00 38.23 H new ATOM 1450 N LYS A 845 -27.513 20.361 49.776 1.00 39.47 N ATOM 1451 CA LYS A 845 -28.722 20.718 49.040 1.00 41.96 C ATOM 1452 C LYS A 845 -29.818 19.664 49.146 1.00 42.93 C ATOM 1453 O LYS A 845 -30.680 19.565 48.272 1.00 44.20 O ATOM 1454 CB LYS A 845 -28.388 20.958 47.564 1.00 42.45 C ATOM 1455 CG LYS A 845 -28.517 22.409 47.124 1.00 43.40 C ATOM 1456 CD LYS A 845 -27.630 23.320 47.952 1.00 42.59 C ATOM 1457 CE LYS A 845 -27.836 24.777 47.578 1.00 43.54 C ATOM 1458 NZ LYS A 845 -26.967 25.675 48.382 1.00 43.30 N ATOM 0 H LYS A 845 -27.031 19.755 49.401 1.00 39.47 H new ATOM 0 HA LYS A 845 -29.063 21.530 49.446 1.00 41.96 H new ATOM 0 HB2 LYS A 845 -27.481 20.659 47.395 1.00 42.45 H new ATOM 0 HB3 LYS A 845 -28.974 20.411 47.017 1.00 42.45 H new ATOM 0 HG2 LYS A 845 -28.278 22.487 46.187 1.00 43.40 H new ATOM 0 HG3 LYS A 845 -29.441 22.693 47.206 1.00 43.40 H new ATOM 0 HD2 LYS A 845 -27.824 23.195 48.894 1.00 42.59 H new ATOM 0 HD3 LYS A 845 -26.700 23.078 47.819 1.00 42.59 H new ATOM 0 HE2 LYS A 845 -27.645 24.900 46.635 1.00 43.54 H new ATOM 0 HE3 LYS A 845 -28.766 25.018 47.713 1.00 43.54 H new ATOM 0 HZ1 LYS A 845 -27.109 26.520 48.141 1.00 43.30 H new ATOM 0 HZ2 LYS A 845 -27.157 25.577 49.246 1.00 43.30 H new ATOM 0 HZ3 LYS A 845 -26.113 25.467 48.241 1.00 43.30 H new ATOM 1459 N ARG A 846 -29.784 18.878 50.216 1.00 43.11 N ATOM 1460 CA ARG A 846 -30.786 17.840 50.421 1.00 43.61 C ATOM 1461 C ARG A 846 -31.505 18.024 51.749 1.00 45.59 C ATOM 1462 O ARG A 846 -30.907 17.879 52.815 1.00 46.18 O ATOM 1463 CB ARG A 846 -30.139 16.452 50.380 1.00 41.10 C ATOM 1464 CG ARG A 846 -29.549 16.073 49.031 1.00 36.73 C ATOM 1465 CD ARG A 846 -29.104 14.615 49.015 1.00 33.68 C ATOM 1466 NE ARG A 846 -28.586 14.216 47.708 1.00 29.71 N ATOM 1467 CZ ARG A 846 -27.384 14.542 47.243 1.00 29.06 C ATOM 1468 NH1 ARG A 846 -26.557 15.273 47.979 1.00 27.75 N ATOM 1469 NH2 ARG A 846 -27.015 14.149 46.031 1.00 26.69 N ATOM 0 H ARG A 846 -29.189 18.929 50.835 1.00 43.11 H new ATOM 0 HA ARG A 846 -31.434 17.914 49.703 1.00 43.61 H new ATOM 0 HB2 ARG A 846 -29.438 16.414 51.049 1.00 41.10 H new ATOM 0 HB3 ARG A 846 -30.803 15.790 50.627 1.00 41.10 H new ATOM 0 HG2 ARG A 846 -30.207 16.221 48.334 1.00 36.73 H new ATOM 0 HG3 ARG A 846 -28.793 16.647 48.833 1.00 36.73 H new ATOM 0 HD2 ARG A 846 -28.420 14.479 49.689 1.00 33.68 H new ATOM 0 HD3 ARG A 846 -29.853 14.046 49.253 1.00 33.68 H new ATOM 0 HE ARG A 846 -29.094 13.737 47.205 1.00 29.71 H new ATOM 0 HH11 ARG A 846 -26.798 15.538 48.761 1.00 27.75 H new ATOM 0 HH12 ARG A 846 -25.780 15.482 47.674 1.00 27.75 H new ATOM 0 HH21 ARG A 846 -27.553 13.684 45.547 1.00 26.69 H new ATOM 0 HH22 ARG A 846 -26.238 14.359 45.729 1.00 26.69 H new ATOM 1470 N LYS A 847 -32.791 18.350 51.677 1.00 47.72 N ATOM 1471 CA LYS A 847 -33.594 18.544 52.877 1.00 49.90 C ATOM 1472 C LYS A 847 -34.328 17.266 53.257 1.00 50.25 C ATOM 1473 O LYS A 847 -34.902 17.169 54.341 1.00 51.50 O ATOM 1474 CB LYS A 847 -34.603 19.678 52.666 1.00 51.27 C ATOM 1475 CG LYS A 847 -34.103 21.046 53.113 1.00 52.81 C ATOM 1476 CD LYS A 847 -32.885 21.499 52.326 1.00 53.80 C ATOM 1477 CE LYS A 847 -32.275 22.745 52.950 1.00 54.23 C ATOM 1478 NZ LYS A 847 -33.277 23.836 53.108 1.00 53.89 N ATOM 0 H LYS A 847 -33.218 18.464 50.939 1.00 47.72 H new ATOM 0 HA LYS A 847 -32.994 18.781 53.601 1.00 49.90 H new ATOM 0 HB2 LYS A 847 -34.835 19.721 51.725 1.00 51.27 H new ATOM 0 HB3 LYS A 847 -35.417 19.468 53.150 1.00 51.27 H new ATOM 0 HG2 LYS A 847 -34.814 21.698 53.009 1.00 52.81 H new ATOM 0 HG3 LYS A 847 -33.883 21.015 54.057 1.00 52.81 H new ATOM 0 HD2 LYS A 847 -32.226 20.787 52.303 1.00 53.80 H new ATOM 0 HD3 LYS A 847 -33.137 21.682 51.407 1.00 53.80 H new ATOM 0 HE2 LYS A 847 -31.901 22.522 53.817 1.00 54.23 H new ATOM 0 HE3 LYS A 847 -31.542 23.057 52.397 1.00 54.23 H new ATOM 0 HZ1 LYS A 847 -32.861 24.593 53.323 1.00 53.89 H new ATOM 0 HZ2 LYS A 847 -33.718 23.947 52.343 1.00 53.89 H new ATOM 0 HZ3 LYS A 847 -33.851 23.621 53.753 1.00 53.89 H new ATOM 1479 N ASN A 848 -34.301 16.284 52.364 1.00 50.25 N ATOM 1480 CA ASN A 848 -34.969 15.012 52.614 1.00 50.42 C ATOM 1481 C ASN A 848 -33.969 13.987 53.145 1.00 49.18 C ATOM 1482 O ASN A 848 -32.981 13.672 52.484 1.00 49.33 O ATOM 1483 CB ASN A 848 -35.607 14.495 51.323 1.00 51.46 C ATOM 1484 CG ASN A 848 -36.578 13.358 51.569 1.00 53.21 C ATOM 1485 OD1 ASN A 848 -36.212 12.322 52.124 1.00 53.22 O ATOM 1486 ND2 ASN A 848 -37.827 13.549 51.156 1.00 53.84 N ATOM 0 H ASN A 848 -33.900 16.334 51.605 1.00 50.25 H new ATOM 0 HA ASN A 848 -35.662 15.148 53.279 1.00 50.42 H new ATOM 0 HB2 ASN A 848 -36.072 15.223 50.882 1.00 51.46 H new ATOM 0 HB3 ASN A 848 -34.910 14.196 50.719 1.00 51.46 H new ATOM 0 HD21 ASN A 848 -38.417 12.935 51.273 1.00 53.84 H new ATOM 0 HD22 ASN A 848 -38.045 14.287 50.772 1.00 53.84 H new ATOM 1487 N PRO A 849 -34.218 13.450 54.350 1.00 48.06 N ATOM 1488 CA PRO A 849 -33.320 12.457 54.951 1.00 46.36 C ATOM 1489 C PRO A 849 -33.200 11.186 54.113 1.00 44.70 C ATOM 1490 O PRO A 849 -32.193 10.478 54.182 1.00 43.53 O ATOM 1491 CB PRO A 849 -33.957 12.202 56.315 1.00 46.98 C ATOM 1492 CG PRO A 849 -35.418 12.401 56.038 1.00 47.84 C ATOM 1493 CD PRO A 849 -35.412 13.651 55.190 1.00 47.95 C ATOM 0 HA PRO A 849 -32.403 12.768 55.014 1.00 46.36 H new ATOM 0 HB2 PRO A 849 -33.770 11.307 56.638 1.00 46.98 H new ATOM 0 HB3 PRO A 849 -33.630 12.820 56.987 1.00 46.98 H new ATOM 0 HG2 PRO A 849 -35.804 11.646 55.568 1.00 47.84 H new ATOM 0 HG3 PRO A 849 -35.929 12.519 56.854 1.00 47.84 H new ATOM 0 HD2 PRO A 849 -36.219 13.733 54.659 1.00 47.95 H new ATOM 0 HD3 PRO A 849 -35.345 14.455 55.729 1.00 47.95 H new ATOM 1494 N THR A 850 -34.232 10.905 53.322 1.00 42.81 N ATOM 1495 CA THR A 850 -34.246 9.727 52.461 1.00 40.63 C ATOM 1496 C THR A 850 -33.319 9.922 51.266 1.00 38.66 C ATOM 1497 O THR A 850 -32.659 8.982 50.825 1.00 38.24 O ATOM 1498 CB THR A 850 -35.670 9.425 51.942 1.00 41.01 C ATOM 1499 OG1 THR A 850 -36.513 9.067 53.043 1.00 41.57 O ATOM 1500 CG2 THR A 850 -35.646 8.282 50.935 1.00 40.76 C ATOM 0 H THR A 850 -34.940 11.390 53.270 1.00 42.81 H new ATOM 0 HA THR A 850 -33.939 8.979 52.996 1.00 40.63 H new ATOM 0 HB THR A 850 -36.014 10.219 51.504 1.00 41.01 H new ATOM 0 HG1 THR A 850 -37.288 8.904 52.762 1.00 41.57 H new ATOM 0 HG21 THR A 850 -36.547 8.108 50.621 1.00 40.76 H new ATOM 0 HG22 THR A 850 -35.084 8.525 50.183 1.00 40.76 H new ATOM 0 HG23 THR A 850 -35.292 7.485 51.359 1.00 40.76 H new ATOM 1501 N SER A 851 -33.275 11.142 50.739 1.00 36.56 N ATOM 1502 CA SER A 851 -32.412 11.427 49.601 1.00 35.23 C ATOM 1503 C SER A 851 -30.954 11.402 50.048 1.00 32.81 C ATOM 1504 O SER A 851 -30.069 11.043 49.274 1.00 31.06 O ATOM 1505 CB SER A 851 -32.753 12.790 48.990 1.00 36.48 C ATOM 1506 OG SER A 851 -32.562 13.836 49.924 1.00 41.00 O ATOM 0 H SER A 851 -33.733 11.812 51.023 1.00 36.56 H new ATOM 0 HA SER A 851 -32.553 10.747 48.923 1.00 35.23 H new ATOM 0 HB2 SER A 851 -32.198 12.945 48.210 1.00 36.48 H new ATOM 0 HB3 SER A 851 -33.674 12.789 48.687 1.00 36.48 H new ATOM 0 HG SER A 851 -32.570 13.521 50.703 1.00 41.00 H new ATOM 1507 N CYS A 852 -30.710 11.776 51.302 1.00 30.96 N ATOM 1508 CA CYS A 852 -29.355 11.777 51.845 1.00 29.28 C ATOM 1509 C CYS A 852 -28.844 10.349 51.990 1.00 29.42 C ATOM 1510 O CYS A 852 -27.741 10.026 51.548 1.00 26.65 O ATOM 1511 CB CYS A 852 -29.317 12.472 53.210 1.00 29.98 C ATOM 1512 SG CYS A 852 -29.505 14.275 53.147 1.00 30.21 S ATOM 0 H CYS A 852 -31.316 12.033 51.855 1.00 30.96 H new ATOM 0 HA CYS A 852 -28.785 12.263 51.229 1.00 29.28 H new ATOM 0 HB2 CYS A 852 -30.022 12.105 53.766 1.00 29.98 H new ATOM 0 HB3 CYS A 852 -28.475 12.262 53.643 1.00 29.98 H new ATOM 0 HG CYS A 852 -29.464 14.721 54.260 1.00 30.21 H new ATOM 1513 N SER A 853 -29.649 9.496 52.617 1.00 28.07 N ATOM 1514 CA SER A 853 -29.263 8.103 52.811 1.00 28.37 C ATOM 1515 C SER A 853 -29.038 7.427 51.461 1.00 26.34 C ATOM 1516 O SER A 853 -28.112 6.633 51.300 1.00 26.30 O ATOM 1517 CB SER A 853 -30.343 7.357 53.602 1.00 30.17 C ATOM 1518 OG SER A 853 -31.596 7.430 52.949 1.00 35.38 O ATOM 0 H SER A 853 -30.420 9.703 52.936 1.00 28.07 H new ATOM 0 HA SER A 853 -28.435 8.077 53.316 1.00 28.37 H new ATOM 0 HB2 SER A 853 -30.085 6.428 53.710 1.00 30.17 H new ATOM 0 HB3 SER A 853 -30.416 7.736 54.492 1.00 30.17 H new ATOM 0 HG SER A 853 -31.565 8.016 52.348 1.00 35.38 H new ATOM 1519 N ARG A 854 -29.888 7.750 50.492 1.00 26.19 N ATOM 1520 CA ARG A 854 -29.768 7.177 49.158 1.00 25.52 C ATOM 1521 C ARG A 854 -28.412 7.548 48.558 1.00 22.94 C ATOM 1522 O ARG A 854 -27.739 6.709 47.959 1.00 20.49 O ATOM 1523 CB ARG A 854 -30.883 7.703 48.252 1.00 29.94 C ATOM 1524 CG ARG A 854 -30.913 7.060 46.875 1.00 35.50 C ATOM 1525 CD ARG A 854 -31.871 7.792 45.945 1.00 41.47 C ATOM 1526 NE ARG A 854 -32.112 7.063 44.701 1.00 46.59 N ATOM 1527 CZ ARG A 854 -31.163 6.700 43.842 1.00 48.78 C ATOM 1528 NH1 ARG A 854 -29.892 6.994 44.083 1.00 50.37 N ATOM 1529 NH2 ARG A 854 -31.487 6.040 42.737 1.00 50.01 N ATOM 0 H ARG A 854 -30.542 8.300 50.587 1.00 26.19 H new ATOM 0 HA ARG A 854 -29.843 6.212 49.226 1.00 25.52 H new ATOM 0 HB2 ARG A 854 -31.737 7.555 48.687 1.00 29.94 H new ATOM 0 HB3 ARG A 854 -30.779 8.662 48.149 1.00 29.94 H new ATOM 0 HG2 ARG A 854 -30.021 7.065 46.494 1.00 35.50 H new ATOM 0 HG3 ARG A 854 -31.182 6.132 46.955 1.00 35.50 H new ATOM 0 HD2 ARG A 854 -32.715 7.934 46.402 1.00 41.47 H new ATOM 0 HD3 ARG A 854 -31.510 8.668 45.738 1.00 41.47 H new ATOM 0 HE ARG A 854 -32.924 6.854 44.511 1.00 46.59 H new ATOM 0 HH11 ARG A 854 -29.678 7.422 44.798 1.00 50.37 H new ATOM 0 HH12 ARG A 854 -29.282 6.757 43.525 1.00 50.37 H new ATOM 0 HH21 ARG A 854 -32.310 5.847 42.577 1.00 50.01 H new ATOM 0 HH22 ARG A 854 -30.874 5.805 42.181 1.00 50.01 H new ATOM 1530 N ARG A 855 -28.015 8.807 48.722 1.00 21.38 N ATOM 1531 CA ARG A 855 -26.739 9.261 48.179 1.00 18.85 C ATOM 1532 C ARG A 855 -25.570 8.598 48.900 1.00 17.91 C ATOM 1533 O ARG A 855 -24.605 8.170 48.265 1.00 18.06 O ATOM 1534 CB ARG A 855 -26.609 10.782 48.294 1.00 19.02 C ATOM 1535 CG ARG A 855 -25.386 11.347 47.574 1.00 16.91 C ATOM 1536 CD ARG A 855 -25.391 10.933 46.112 1.00 17.53 C ATOM 1537 NE ARG A 855 -24.411 11.653 45.301 1.00 16.76 N ATOM 1538 CZ ARG A 855 -24.283 11.492 43.987 1.00 14.99 C ATOM 1539 NH1 ARG A 855 -25.068 10.634 43.348 1.00 17.56 N ATOM 1540 NH2 ARG A 855 -23.392 12.202 43.305 1.00 15.32 N ATOM 0 H ARG A 855 -28.465 9.409 49.140 1.00 21.38 H new ATOM 0 HA ARG A 855 -26.716 9.009 47.243 1.00 18.85 H new ATOM 0 HB2 ARG A 855 -27.408 11.196 47.932 1.00 19.02 H new ATOM 0 HB3 ARG A 855 -26.564 11.025 49.232 1.00 19.02 H new ATOM 0 HG2 ARG A 855 -25.382 12.315 47.642 1.00 16.91 H new ATOM 0 HG3 ARG A 855 -24.576 11.030 48.003 1.00 16.91 H new ATOM 0 HD2 ARG A 855 -25.214 9.981 46.052 1.00 17.53 H new ATOM 0 HD3 ARG A 855 -26.276 11.081 45.744 1.00 17.53 H new ATOM 0 HE ARG A 855 -23.889 12.211 45.695 1.00 16.76 H new ATOM 0 HH11 ARG A 855 -25.657 10.184 43.783 1.00 17.56 H new ATOM 0 HH12 ARG A 855 -24.987 10.528 42.498 1.00 17.56 H new ATOM 0 HH21 ARG A 855 -22.892 12.771 43.713 1.00 15.32 H new ATOM 0 HH22 ARG A 855 -23.314 12.093 42.455 1.00 15.32 H new ATOM 1541 N PHE A 856 -25.658 8.510 50.223 1.00 17.81 N ATOM 1542 CA PHE A 856 -24.592 7.889 51.000 1.00 16.49 C ATOM 1543 C PHE A 856 -24.404 6.448 50.529 1.00 16.78 C ATOM 1544 O PHE A 856 -23.277 5.957 50.429 1.00 16.14 O ATOM 1545 CB PHE A 856 -24.926 7.910 52.496 1.00 19.16 C ATOM 1546 CG PHE A 856 -23.803 7.426 53.367 1.00 18.37 C ATOM 1547 CD1 PHE A 856 -22.695 8.235 53.606 1.00 20.00 C ATOM 1548 CD2 PHE A 856 -23.833 6.150 53.920 1.00 19.09 C ATOM 1549 CE1 PHE A 856 -21.629 7.780 54.385 1.00 20.76 C ATOM 1550 CE2 PHE A 856 -22.774 5.683 54.700 1.00 17.50 C ATOM 1551 CZ PHE A 856 -21.668 6.501 54.933 1.00 19.95 C ATOM 0 H PHE A 856 -26.321 8.801 50.687 1.00 17.81 H new ATOM 0 HA PHE A 856 -23.772 8.389 50.866 1.00 16.49 H new ATOM 0 HB2 PHE A 856 -25.160 8.815 52.755 1.00 19.16 H new ATOM 0 HB3 PHE A 856 -25.708 7.359 52.653 1.00 19.16 H new ATOM 0 HD1 PHE A 856 -22.665 9.090 53.242 1.00 20.00 H new ATOM 0 HD2 PHE A 856 -24.568 5.601 53.768 1.00 19.09 H new ATOM 0 HE1 PHE A 856 -20.895 8.330 54.537 1.00 20.76 H new ATOM 0 HE2 PHE A 856 -22.806 4.828 55.064 1.00 17.50 H new ATOM 0 HZ PHE A 856 -20.960 6.193 55.452 1.00 19.95 H new ATOM 1552 N TYR A 857 -25.514 5.775 50.234 1.00 17.10 N ATOM 1553 CA TYR A 857 -25.467 4.395 49.757 1.00 18.11 C ATOM 1554 C TYR A 857 -24.683 4.335 48.445 1.00 16.38 C ATOM 1555 O TYR A 857 -23.807 3.490 48.266 1.00 17.09 O ATOM 1556 CB TYR A 857 -26.886 3.869 49.519 1.00 19.16 C ATOM 1557 CG TYR A 857 -26.936 2.430 49.061 1.00 22.14 C ATOM 1558 CD1 TYR A 857 -26.871 1.383 49.980 1.00 22.95 C ATOM 1559 CD2 TYR A 857 -27.042 2.113 47.706 1.00 22.81 C ATOM 1560 CE1 TYR A 857 -26.915 0.054 49.562 1.00 25.71 C ATOM 1561 CE2 TYR A 857 -27.084 0.787 47.278 1.00 25.32 C ATOM 1562 CZ TYR A 857 -27.021 -0.234 48.212 1.00 25.69 C ATOM 1563 OH TYR A 857 -27.075 -1.545 47.799 1.00 29.72 O ATOM 0 H TYR A 857 -26.307 6.101 50.304 1.00 17.10 H new ATOM 0 HA TYR A 857 -25.031 3.846 50.428 1.00 18.11 H new ATOM 0 HB2 TYR A 857 -27.396 3.956 50.340 1.00 19.16 H new ATOM 0 HB3 TYR A 857 -27.321 4.426 48.855 1.00 19.16 H new ATOM 0 HD1 TYR A 857 -26.797 1.575 50.887 1.00 22.95 H new ATOM 0 HD2 TYR A 857 -27.085 2.798 47.078 1.00 22.81 H new ATOM 0 HE1 TYR A 857 -26.873 -0.635 50.186 1.00 25.71 H new ATOM 0 HE2 TYR A 857 -27.154 0.589 46.372 1.00 25.32 H new ATOM 0 HH TYR A 857 -27.139 -1.573 46.962 1.00 29.72 H new ATOM 1564 N GLN A 858 -25.005 5.245 47.531 1.00 15.66 N ATOM 1565 CA GLN A 858 -24.343 5.294 46.234 1.00 16.49 C ATOM 1566 C GLN A 858 -22.848 5.554 46.351 1.00 15.97 C ATOM 1567 O GLN A 858 -22.041 4.872 45.724 1.00 16.53 O ATOM 1568 CB GLN A 858 -24.955 6.389 45.361 1.00 17.63 C ATOM 1569 CG GLN A 858 -26.396 6.151 44.940 1.00 20.68 C ATOM 1570 CD GLN A 858 -26.936 7.296 44.104 1.00 23.75 C ATOM 1571 OE1 GLN A 858 -26.968 8.443 44.552 1.00 23.77 O ATOM 1572 NE2 GLN A 858 -27.356 6.993 42.879 1.00 25.49 N ATOM 0 H GLN A 858 -25.609 5.847 47.645 1.00 15.66 H new ATOM 0 HA GLN A 858 -24.473 4.422 45.830 1.00 16.49 H new ATOM 0 HB2 GLN A 858 -24.908 7.230 45.842 1.00 17.63 H new ATOM 0 HB3 GLN A 858 -24.412 6.488 44.563 1.00 17.63 H new ATOM 0 HG2 GLN A 858 -26.453 5.326 44.433 1.00 20.68 H new ATOM 0 HG3 GLN A 858 -26.949 6.038 45.729 1.00 20.68 H new ATOM 0 HE21 GLN A 858 -27.318 6.180 42.600 1.00 25.49 H new ATOM 0 HE22 GLN A 858 -27.665 7.610 42.366 1.00 25.49 H new ATOM 1573 N LEU A 859 -22.483 6.547 47.151 1.00 16.18 N ATOM 1574 CA LEU A 859 -21.080 6.903 47.303 1.00 15.12 C ATOM 1575 C LEU A 859 -20.255 5.835 48.013 1.00 15.50 C ATOM 1576 O LEU A 859 -19.102 5.595 47.645 1.00 14.79 O ATOM 1577 CB LEU A 859 -20.949 8.247 48.028 1.00 16.12 C ATOM 1578 CG LEU A 859 -21.650 9.434 47.353 1.00 16.36 C ATOM 1579 CD1 LEU A 859 -21.241 10.725 48.048 1.00 17.75 C ATOM 1580 CD2 LEU A 859 -21.271 9.496 45.881 1.00 19.15 C ATOM 0 H LEU A 859 -23.029 7.025 47.613 1.00 16.18 H new ATOM 0 HA LEU A 859 -20.717 6.976 46.406 1.00 15.12 H new ATOM 0 HB2 LEU A 859 -21.305 8.149 48.925 1.00 16.12 H new ATOM 0 HB3 LEU A 859 -20.006 8.457 48.119 1.00 16.12 H new ATOM 0 HG LEU A 859 -22.611 9.320 47.423 1.00 16.36 H new ATOM 0 HD11 LEU A 859 -21.683 11.476 47.622 1.00 17.75 H new ATOM 0 HD12 LEU A 859 -21.499 10.686 48.982 1.00 17.75 H new ATOM 0 HD13 LEU A 859 -20.280 10.837 47.983 1.00 17.75 H new ATOM 0 HD21 LEU A 859 -21.718 10.248 45.463 1.00 19.15 H new ATOM 0 HD22 LEU A 859 -20.311 9.604 45.798 1.00 19.15 H new ATOM 0 HD23 LEU A 859 -21.542 8.675 45.442 1.00 19.15 H new ATOM 1581 N THR A 860 -20.833 5.184 49.019 1.00 15.17 N ATOM 1582 CA THR A 860 -20.090 4.147 49.730 1.00 15.25 C ATOM 1583 C THR A 860 -19.920 2.919 48.846 1.00 14.52 C ATOM 1584 O THR A 860 -18.906 2.223 48.931 1.00 14.39 O ATOM 1585 CB THR A 860 -20.764 3.773 51.072 1.00 14.60 C ATOM 1586 OG1 THR A 860 -22.157 3.511 50.870 1.00 16.38 O ATOM 1587 CG2 THR A 860 -20.597 4.908 52.067 1.00 16.50 C ATOM 0 H THR A 860 -21.634 5.322 49.300 1.00 15.17 H new ATOM 0 HA THR A 860 -19.213 4.503 49.941 1.00 15.25 H new ATOM 0 HB THR A 860 -20.340 2.974 51.422 1.00 14.60 H new ATOM 0 HG1 THR A 860 -22.288 2.681 50.863 1.00 16.38 H new ATOM 0 HG21 THR A 860 -21.021 4.668 52.906 1.00 16.50 H new ATOM 0 HG22 THR A 860 -19.653 5.070 52.217 1.00 16.50 H new ATOM 0 HG23 THR A 860 -21.011 5.711 51.714 1.00 16.50 H new ATOM 1588 N LYS A 861 -20.905 2.657 47.990 1.00 14.56 N ATOM 1589 CA LYS A 861 -20.809 1.539 47.062 1.00 14.52 C ATOM 1590 C LYS A 861 -19.668 1.824 46.085 1.00 13.89 C ATOM 1591 O LYS A 861 -18.878 0.938 45.765 1.00 15.07 O ATOM 1592 CB LYS A 861 -22.118 1.362 46.286 1.00 15.19 C ATOM 1593 CG LYS A 861 -23.182 0.565 47.028 1.00 17.88 C ATOM 1594 CD LYS A 861 -22.755 -0.888 47.188 1.00 22.88 C ATOM 1595 CE LYS A 861 -23.842 -1.722 47.852 1.00 27.45 C ATOM 1596 NZ LYS A 861 -23.455 -3.160 47.936 1.00 29.97 N ATOM 0 H LYS A 861 -21.632 3.113 47.932 1.00 14.56 H new ATOM 0 HA LYS A 861 -20.639 0.722 47.557 1.00 14.52 H new ATOM 0 HB2 LYS A 861 -22.476 2.238 46.071 1.00 15.19 H new ATOM 0 HB3 LYS A 861 -21.926 0.920 45.444 1.00 15.19 H new ATOM 0 HG2 LYS A 861 -23.337 0.959 47.901 1.00 17.88 H new ATOM 0 HG3 LYS A 861 -24.021 0.609 46.544 1.00 17.88 H new ATOM 0 HD2 LYS A 861 -22.545 -1.262 46.318 1.00 22.88 H new ATOM 0 HD3 LYS A 861 -21.944 -0.931 47.718 1.00 22.88 H new ATOM 0 HE2 LYS A 861 -24.015 -1.380 48.743 1.00 27.45 H new ATOM 0 HE3 LYS A 861 -24.668 -1.637 47.351 1.00 27.45 H new ATOM 0 HZ1 LYS A 861 -24.108 -3.621 48.327 1.00 29.97 H new ATOM 0 HZ2 LYS A 861 -23.317 -3.479 47.117 1.00 29.97 H new ATOM 0 HZ3 LYS A 861 -22.709 -3.239 48.414 1.00 29.97 H new ATOM 1597 N LEU A 862 -19.585 3.066 45.620 1.00 15.58 N ATOM 1598 CA LEU A 862 -18.529 3.448 44.685 1.00 15.05 C ATOM 1599 C LEU A 862 -17.165 3.318 45.359 1.00 14.68 C ATOM 1600 O LEU A 862 -16.226 2.780 44.771 1.00 15.67 O ATOM 1601 CB LEU A 862 -18.731 4.886 44.199 1.00 16.61 C ATOM 1602 CG LEU A 862 -17.738 5.371 43.137 1.00 17.76 C ATOM 1603 CD1 LEU A 862 -17.823 4.482 41.905 1.00 17.85 C ATOM 1604 CD2 LEU A 862 -18.047 6.813 42.772 1.00 17.91 C ATOM 0 H LEU A 862 -20.126 3.700 45.831 1.00 15.58 H new ATOM 0 HA LEU A 862 -18.568 2.854 43.919 1.00 15.05 H new ATOM 0 HB2 LEU A 862 -19.629 4.966 43.840 1.00 16.61 H new ATOM 0 HB3 LEU A 862 -18.677 5.480 44.964 1.00 16.61 H new ATOM 0 HG LEU A 862 -16.836 5.323 43.492 1.00 17.76 H new ATOM 0 HD11 LEU A 862 -17.193 4.794 41.237 1.00 17.85 H new ATOM 0 HD12 LEU A 862 -17.609 3.568 42.150 1.00 17.85 H new ATOM 0 HD13 LEU A 862 -18.722 4.517 41.542 1.00 17.85 H new ATOM 0 HD21 LEU A 862 -17.418 7.119 42.100 1.00 17.91 H new ATOM 0 HD22 LEU A 862 -18.949 6.872 42.420 1.00 17.91 H new ATOM 0 HD23 LEU A 862 -17.971 7.370 43.562 1.00 17.91 H new ATOM 1605 N LEU A 863 -17.057 3.812 46.591 1.00 14.86 N ATOM 1606 CA LEU A 863 -15.800 3.727 47.332 1.00 14.79 C ATOM 1607 C LEU A 863 -15.381 2.270 47.502 1.00 15.20 C ATOM 1608 O LEU A 863 -14.217 1.926 47.302 1.00 14.71 O ATOM 1609 CB LEU A 863 -15.938 4.399 48.702 1.00 14.76 C ATOM 1610 CG LEU A 863 -15.887 5.932 48.682 1.00 14.51 C ATOM 1611 CD1 LEU A 863 -16.336 6.495 50.033 1.00 14.93 C ATOM 1612 CD2 LEU A 863 -14.470 6.377 48.360 1.00 16.29 C ATOM 0 H LEU A 863 -17.698 4.199 47.015 1.00 14.86 H new ATOM 0 HA LEU A 863 -15.115 4.192 46.826 1.00 14.79 H new ATOM 0 HB2 LEU A 863 -16.778 4.122 49.099 1.00 14.76 H new ATOM 0 HB3 LEU A 863 -15.230 4.073 49.280 1.00 14.76 H new ATOM 0 HG LEU A 863 -16.490 6.269 48.001 1.00 14.51 H new ATOM 0 HD11 LEU A 863 -16.300 7.464 50.008 1.00 14.93 H new ATOM 0 HD12 LEU A 863 -17.245 6.211 50.216 1.00 14.93 H new ATOM 0 HD13 LEU A 863 -15.748 6.168 50.732 1.00 14.93 H new ATOM 0 HD21 LEU A 863 -14.430 7.346 48.346 1.00 16.29 H new ATOM 0 HD22 LEU A 863 -13.863 6.039 49.037 1.00 16.29 H new ATOM 0 HD23 LEU A 863 -14.211 6.030 47.492 1.00 16.29 H new ATOM 1613 N ASP A 864 -16.329 1.413 47.874 1.00 14.57 N ATOM 1614 CA ASP A 864 -16.029 -0.006 48.037 1.00 14.82 C ATOM 1615 C ASP A 864 -15.484 -0.596 46.733 1.00 15.30 C ATOM 1616 O ASP A 864 -14.553 -1.407 46.755 1.00 15.02 O ATOM 1617 CB ASP A 864 -17.284 -0.802 48.423 1.00 13.94 C ATOM 1618 CG ASP A 864 -17.622 -0.721 49.906 1.00 16.76 C ATOM 1619 OD1 ASP A 864 -16.861 -0.112 50.686 1.00 15.13 O ATOM 1620 OD2 ASP A 864 -18.670 -1.292 50.288 1.00 18.08 O ATOM 0 H ASP A 864 -17.145 1.631 48.036 1.00 14.57 H new ATOM 0 HA ASP A 864 -15.367 -0.074 48.743 1.00 14.82 H new ATOM 0 HB2 ASP A 864 -18.038 -0.474 47.908 1.00 13.94 H new ATOM 0 HB3 ASP A 864 -17.157 -1.732 48.178 1.00 13.94 H new ATOM 1621 N SER A 865 -16.062 -0.182 45.603 1.00 14.18 N ATOM 1622 CA SER A 865 -15.669 -0.709 44.294 1.00 14.24 C ATOM 1623 C SER A 865 -14.213 -0.449 43.920 1.00 14.27 C ATOM 1624 O SER A 865 -13.651 -1.138 43.068 1.00 14.98 O ATOM 1625 CB SER A 865 -16.593 -0.164 43.190 1.00 14.69 C ATOM 1626 OG SER A 865 -16.245 1.156 42.798 1.00 15.91 O ATOM 0 H SER A 865 -16.688 0.407 45.574 1.00 14.18 H new ATOM 0 HA SER A 865 -15.762 -1.672 44.369 1.00 14.24 H new ATOM 0 HB2 SER A 865 -16.551 -0.750 42.418 1.00 14.69 H new ATOM 0 HB3 SER A 865 -17.510 -0.174 43.505 1.00 14.69 H new ATOM 0 HG SER A 865 -16.090 1.620 43.481 1.00 15.91 H new ATOM 1627 N VAL A 866 -13.603 0.544 44.550 1.00 13.45 N ATOM 1628 CA VAL A 866 -12.207 0.859 44.276 1.00 13.88 C ATOM 1629 C VAL A 866 -11.279 -0.238 44.806 1.00 13.93 C ATOM 1630 O VAL A 866 -10.263 -0.562 44.188 1.00 13.60 O ATOM 1631 CB VAL A 866 -11.804 2.196 44.939 1.00 15.38 C ATOM 1632 CG1 VAL A 866 -10.309 2.450 44.761 1.00 14.39 C ATOM 1633 CG2 VAL A 866 -12.610 3.334 44.334 1.00 13.98 C ATOM 0 H VAL A 866 -13.977 1.047 45.139 1.00 13.45 H new ATOM 0 HA VAL A 866 -12.116 0.927 43.313 1.00 13.88 H new ATOM 0 HB VAL A 866 -11.994 2.146 45.889 1.00 15.38 H new ATOM 0 HG11 VAL A 866 -10.071 3.291 45.181 1.00 14.39 H new ATOM 0 HG12 VAL A 866 -9.807 1.730 45.173 1.00 14.39 H new ATOM 0 HG13 VAL A 866 -10.098 2.491 43.815 1.00 14.39 H new ATOM 0 HG21 VAL A 866 -12.354 4.171 44.753 1.00 13.98 H new ATOM 0 HG22 VAL A 866 -12.436 3.383 43.381 1.00 13.98 H new ATOM 0 HG23 VAL A 866 -13.555 3.175 44.481 1.00 13.98 H new ATOM 1634 N GLN A 867 -11.643 -0.826 45.939 1.00 13.82 N ATOM 1635 CA GLN A 867 -10.796 -1.841 46.565 1.00 15.23 C ATOM 1636 C GLN A 867 -10.500 -3.098 45.736 1.00 15.40 C ATOM 1637 O GLN A 867 -9.348 -3.521 45.652 1.00 15.67 O ATOM 1638 CB GLN A 867 -11.368 -2.219 47.938 1.00 13.90 C ATOM 1639 CG GLN A 867 -11.510 -1.040 48.924 1.00 15.31 C ATOM 1640 CD GLN A 867 -10.200 -0.297 49.194 1.00 13.50 C ATOM 1641 OE1 GLN A 867 -9.110 -0.866 49.088 1.00 14.98 O ATOM 1642 NE2 GLN A 867 -10.308 0.975 49.564 1.00 14.59 N ATOM 0 H GLN A 867 -12.372 -0.655 46.362 1.00 13.82 H new ATOM 0 HA GLN A 867 -9.928 -1.416 46.649 1.00 15.23 H new ATOM 0 HB2 GLN A 867 -12.240 -2.625 47.811 1.00 13.90 H new ATOM 0 HB3 GLN A 867 -10.797 -2.893 48.339 1.00 13.90 H new ATOM 0 HG2 GLN A 867 -12.161 -0.413 48.573 1.00 15.31 H new ATOM 0 HG3 GLN A 867 -11.862 -1.373 49.764 1.00 15.31 H new ATOM 0 HE21 GLN A 867 -11.084 1.340 49.628 1.00 14.59 H new ATOM 0 HE22 GLN A 867 -9.602 1.433 49.740 1.00 14.59 H new ATOM 1643 N PRO A 868 -11.523 -3.721 45.125 1.00 15.79 N ATOM 1644 CA PRO A 868 -11.228 -4.919 44.328 1.00 16.71 C ATOM 1645 C PRO A 868 -10.296 -4.594 43.160 1.00 15.80 C ATOM 1646 O PRO A 868 -9.451 -5.405 42.781 1.00 16.02 O ATOM 1647 CB PRO A 868 -12.607 -5.372 43.860 1.00 20.50 C ATOM 1648 CG PRO A 868 -13.497 -4.934 44.992 1.00 19.85 C ATOM 1649 CD PRO A 868 -12.977 -3.544 45.282 1.00 17.21 C ATOM 0 HA PRO A 868 -10.761 -5.608 44.826 1.00 16.71 H new ATOM 0 HB2 PRO A 868 -12.858 -4.955 43.021 1.00 20.50 H new ATOM 0 HB3 PRO A 868 -12.644 -6.331 43.722 1.00 20.50 H new ATOM 0 HG2 PRO A 868 -14.433 -4.925 44.736 1.00 19.85 H new ATOM 0 HG3 PRO A 868 -13.419 -5.519 45.762 1.00 19.85 H new ATOM 0 HD2 PRO A 868 -13.332 -2.887 44.662 1.00 17.21 H new ATOM 0 HD3 PRO A 868 -13.212 -3.247 46.175 1.00 17.21 H new ATOM 1650 N ILE A 869 -10.457 -3.405 42.588 1.00 15.29 N ATOM 1651 CA ILE A 869 -9.608 -2.982 41.479 1.00 15.69 C ATOM 1652 C ILE A 869 -8.175 -2.803 41.986 1.00 13.89 C ATOM 1653 O ILE A 869 -7.226 -3.290 41.371 1.00 15.72 O ATOM 1654 CB ILE A 869 -10.107 -1.655 40.868 1.00 17.13 C ATOM 1655 CG1 ILE A 869 -11.541 -1.839 40.355 1.00 17.32 C ATOM 1656 CG2 ILE A 869 -9.167 -1.210 39.745 1.00 18.47 C ATOM 1657 CD1 ILE A 869 -12.147 -0.600 39.723 1.00 19.10 C ATOM 0 H ILE A 869 -11.050 -2.830 42.826 1.00 15.29 H new ATOM 0 HA ILE A 869 -9.639 -3.663 40.789 1.00 15.69 H new ATOM 0 HB ILE A 869 -10.110 -0.961 41.546 1.00 17.13 H new ATOM 0 HG12 ILE A 869 -11.550 -2.558 39.704 1.00 17.32 H new ATOM 0 HG13 ILE A 869 -12.103 -2.119 41.094 1.00 17.32 H new ATOM 0 HG21 ILE A 869 -9.487 -0.376 39.366 1.00 18.47 H new ATOM 0 HG22 ILE A 869 -8.274 -1.081 40.102 1.00 18.47 H new ATOM 0 HG23 ILE A 869 -9.143 -1.890 39.054 1.00 18.47 H new ATOM 0 HD11 ILE A 869 -13.049 -0.796 39.426 1.00 19.10 H new ATOM 0 HD12 ILE A 869 -12.171 0.117 40.375 1.00 19.10 H new ATOM 0 HD13 ILE A 869 -11.609 -0.328 38.963 1.00 19.10 H new ATOM 1658 N ALA A 870 -8.022 -2.105 43.108 1.00 14.90 N ATOM 1659 CA ALA A 870 -6.699 -1.887 43.691 1.00 14.02 C ATOM 1660 C ALA A 870 -6.023 -3.230 43.959 1.00 14.52 C ATOM 1661 O ALA A 870 -4.832 -3.401 43.703 1.00 14.23 O ATOM 1662 CB ALA A 870 -6.817 -1.096 44.990 1.00 14.69 C ATOM 0 H ALA A 870 -8.670 -1.749 43.547 1.00 14.90 H new ATOM 0 HA ALA A 870 -6.161 -1.378 43.064 1.00 14.02 H new ATOM 0 HB1 ALA A 870 -5.934 -0.958 45.367 1.00 14.69 H new ATOM 0 HB2 ALA A 870 -7.229 -0.237 44.809 1.00 14.69 H new ATOM 0 HB3 ALA A 870 -7.364 -1.590 45.621 1.00 14.69 H new ATOM 1663 N ARG A 871 -6.796 -4.182 44.471 1.00 14.58 N ATOM 1664 CA ARG A 871 -6.288 -5.520 44.772 1.00 15.81 C ATOM 1665 C ARG A 871 -5.724 -6.199 43.521 1.00 15.30 C ATOM 1666 O ARG A 871 -4.642 -6.790 43.556 1.00 14.80 O ATOM 1667 CB ARG A 871 -7.417 -6.380 45.353 1.00 18.28 C ATOM 1668 CG ARG A 871 -7.090 -7.855 45.460 1.00 24.15 C ATOM 1669 CD ARG A 871 -6.334 -8.162 46.726 1.00 27.21 C ATOM 1670 NE ARG A 871 -5.991 -9.579 46.827 1.00 28.74 N ATOM 1671 CZ ARG A 871 -5.609 -10.168 47.953 1.00 29.35 C ATOM 1672 NH1 ARG A 871 -5.532 -9.462 49.071 1.00 28.72 N ATOM 1673 NH2 ARG A 871 -5.289 -11.456 47.960 1.00 28.56 N ATOM 0 H ARG A 871 -7.629 -4.073 44.654 1.00 14.58 H new ATOM 0 HA ARG A 871 -5.570 -5.430 45.418 1.00 15.81 H new ATOM 0 HB2 ARG A 871 -7.642 -6.045 46.235 1.00 18.28 H new ATOM 0 HB3 ARG A 871 -8.207 -6.274 44.799 1.00 18.28 H new ATOM 0 HG2 ARG A 871 -7.910 -8.372 45.438 1.00 24.15 H new ATOM 0 HG3 ARG A 871 -6.563 -8.127 44.693 1.00 24.15 H new ATOM 0 HD2 ARG A 871 -5.523 -7.631 46.755 1.00 27.21 H new ATOM 0 HD3 ARG A 871 -6.869 -7.904 47.493 1.00 27.21 H new ATOM 0 HE ARG A 871 -6.040 -10.059 46.115 1.00 28.74 H new ATOM 0 HH11 ARG A 871 -5.729 -8.625 49.065 1.00 28.72 H new ATOM 0 HH12 ARG A 871 -5.285 -9.841 49.803 1.00 28.72 H new ATOM 0 HH21 ARG A 871 -5.329 -11.913 47.232 1.00 28.56 H new ATOM 0 HH22 ARG A 871 -5.042 -11.834 48.692 1.00 28.56 H new ATOM 1674 N GLU A 872 -6.462 -6.121 42.418 1.00 14.57 N ATOM 1675 CA GLU A 872 -6.011 -6.734 41.174 1.00 15.58 C ATOM 1676 C GLU A 872 -4.718 -6.092 40.687 1.00 15.21 C ATOM 1677 O GLU A 872 -3.843 -6.777 40.157 1.00 14.34 O ATOM 1678 CB GLU A 872 -7.094 -6.626 40.097 1.00 18.98 C ATOM 1679 CG GLU A 872 -8.310 -7.496 40.384 1.00 24.51 C ATOM 1680 CD GLU A 872 -9.238 -7.638 39.193 1.00 30.05 C ATOM 1681 OE1 GLU A 872 -10.236 -8.383 39.307 1.00 34.34 O ATOM 1682 OE2 GLU A 872 -8.975 -7.014 38.145 1.00 31.18 O ATOM 0 H GLU A 872 -7.222 -5.721 42.369 1.00 14.57 H new ATOM 0 HA GLU A 872 -5.838 -7.672 41.349 1.00 15.58 H new ATOM 0 HB2 GLU A 872 -7.376 -5.701 40.021 1.00 18.98 H new ATOM 0 HB3 GLU A 872 -6.717 -6.879 39.240 1.00 18.98 H new ATOM 0 HG2 GLU A 872 -8.012 -8.377 40.661 1.00 24.51 H new ATOM 0 HG3 GLU A 872 -8.804 -7.116 41.128 1.00 24.51 H new ATOM 1683 N LEU A 873 -4.597 -4.780 40.865 1.00 13.41 N ATOM 1684 CA LEU A 873 -3.390 -4.073 40.442 1.00 13.82 C ATOM 1685 C LEU A 873 -2.232 -4.384 41.392 1.00 14.09 C ATOM 1686 O LEU A 873 -1.075 -4.443 40.973 1.00 13.93 O ATOM 1687 CB LEU A 873 -3.653 -2.563 40.377 1.00 13.92 C ATOM 1688 CG LEU A 873 -4.646 -2.138 39.286 1.00 15.22 C ATOM 1689 CD1 LEU A 873 -4.980 -0.662 39.436 1.00 15.86 C ATOM 1690 CD2 LEU A 873 -4.050 -2.420 37.904 1.00 15.72 C ATOM 0 H LEU A 873 -5.198 -4.282 41.227 1.00 13.41 H new ATOM 0 HA LEU A 873 -3.144 -4.377 39.554 1.00 13.82 H new ATOM 0 HB2 LEU A 873 -3.989 -2.267 41.238 1.00 13.92 H new ATOM 0 HB3 LEU A 873 -2.811 -2.105 40.228 1.00 13.92 H new ATOM 0 HG LEU A 873 -5.465 -2.649 39.380 1.00 15.22 H new ATOM 0 HD11 LEU A 873 -5.607 -0.400 38.744 1.00 15.86 H new ATOM 0 HD12 LEU A 873 -5.377 -0.507 40.307 1.00 15.86 H new ATOM 0 HD13 LEU A 873 -4.169 -0.136 39.352 1.00 15.86 H new ATOM 0 HD21 LEU A 873 -4.681 -2.150 37.218 1.00 15.72 H new ATOM 0 HD22 LEU A 873 -3.225 -1.920 37.799 1.00 15.72 H new ATOM 0 HD23 LEU A 873 -3.866 -3.369 37.818 1.00 15.72 H new ATOM 1691 N HIS A 874 -2.542 -4.576 42.672 1.00 13.68 N ATOM 1692 CA HIS A 874 -1.514 -4.925 43.649 1.00 14.22 C ATOM 1693 C HIS A 874 -0.905 -6.261 43.228 1.00 15.19 C ATOM 1694 O HIS A 874 0.313 -6.438 43.239 1.00 14.32 O ATOM 1695 CB HIS A 874 -2.129 -5.064 45.044 1.00 12.56 C ATOM 1696 CG HIS A 874 -2.338 -3.758 45.746 1.00 15.28 C ATOM 1697 ND1 HIS A 874 -3.396 -3.537 46.604 1.00 17.29 N ATOM 1698 CD2 HIS A 874 -1.606 -2.620 45.750 1.00 16.41 C ATOM 1699 CE1 HIS A 874 -3.305 -2.318 47.105 1.00 16.49 C ATOM 1700 NE2 HIS A 874 -2.229 -1.740 46.604 1.00 17.16 N ATOM 0 H HIS A 874 -3.337 -4.509 42.994 1.00 13.68 H new ATOM 0 HA HIS A 874 -0.838 -4.230 43.681 1.00 14.22 H new ATOM 0 HB2 HIS A 874 -2.981 -5.521 44.968 1.00 12.56 H new ATOM 0 HB3 HIS A 874 -1.554 -5.625 45.587 1.00 12.56 H new ATOM 0 HD2 HIS A 874 -0.828 -2.462 45.266 1.00 16.41 H new ATOM 0 HE1 HIS A 874 -3.898 -1.932 47.708 1.00 16.49 H new ATOM 0 HE2 HIS A 874 -1.961 -0.943 46.783 1.00 17.16 H new ATOM 1701 N GLN A 875 -1.765 -7.202 42.852 1.00 14.44 N ATOM 1702 CA GLN A 875 -1.304 -8.516 42.427 1.00 13.91 C ATOM 1703 C GLN A 875 -0.463 -8.418 41.157 1.00 14.75 C ATOM 1704 O GLN A 875 0.607 -9.020 41.049 1.00 13.22 O ATOM 1705 CB GLN A 875 -2.497 -9.438 42.163 1.00 15.89 C ATOM 1706 CG GLN A 875 -2.084 -10.871 41.886 1.00 20.87 C ATOM 1707 CD GLN A 875 -1.380 -11.489 43.081 1.00 23.74 C ATOM 1708 OE1 GLN A 875 -1.962 -11.603 44.159 1.00 26.63 O ATOM 1709 NE2 GLN A 875 -0.123 -11.880 42.899 1.00 22.17 N ATOM 0 H GLN A 875 -2.619 -7.099 42.836 1.00 14.44 H new ATOM 0 HA GLN A 875 -0.758 -8.881 43.141 1.00 13.91 H new ATOM 0 HB2 GLN A 875 -3.090 -9.420 42.930 1.00 15.89 H new ATOM 0 HB3 GLN A 875 -3.001 -9.099 41.406 1.00 15.89 H new ATOM 0 HG2 GLN A 875 -2.868 -11.397 41.663 1.00 20.87 H new ATOM 0 HG3 GLN A 875 -1.497 -10.896 41.115 1.00 20.87 H new ATOM 0 HE21 GLN A 875 0.250 -11.784 42.130 1.00 22.17 H new ATOM 0 HE22 GLN A 875 0.317 -12.229 43.550 1.00 22.17 H new ATOM 1710 N PHE A 876 -0.960 -7.652 40.194 1.00 13.92 N ATOM 1711 CA PHE A 876 -0.274 -7.483 38.925 1.00 14.78 C ATOM 1712 C PHE A 876 1.100 -6.842 39.071 1.00 14.64 C ATOM 1713 O PHE A 876 2.076 -7.322 38.493 1.00 14.04 O ATOM 1714 CB PHE A 876 -1.148 -6.653 37.976 1.00 14.16 C ATOM 1715 CG PHE A 876 -0.587 -6.518 36.589 1.00 16.13 C ATOM 1716 CD1 PHE A 876 0.155 -5.398 36.230 1.00 17.67 C ATOM 1717 CD2 PHE A 876 -0.807 -7.508 35.638 1.00 17.64 C ATOM 1718 CE1 PHE A 876 0.669 -5.265 34.936 1.00 18.30 C ATOM 1719 CE2 PHE A 876 -0.297 -7.387 34.342 1.00 17.99 C ATOM 1720 CZ PHE A 876 0.441 -6.261 33.993 1.00 17.99 C ATOM 0 H PHE A 876 -1.700 -7.219 40.259 1.00 13.92 H new ATOM 0 HA PHE A 876 -0.127 -8.369 38.557 1.00 14.78 H new ATOM 0 HB2 PHE A 876 -2.027 -7.060 37.921 1.00 14.16 H new ATOM 0 HB3 PHE A 876 -1.269 -5.768 38.354 1.00 14.16 H new ATOM 0 HD1 PHE A 876 0.311 -4.730 36.858 1.00 17.67 H new ATOM 0 HD2 PHE A 876 -1.301 -8.262 35.867 1.00 17.64 H new ATOM 0 HE1 PHE A 876 1.163 -4.511 34.707 1.00 18.30 H new ATOM 0 HE2 PHE A 876 -0.451 -8.057 33.716 1.00 17.99 H new ATOM 0 HZ PHE A 876 0.781 -6.175 33.132 1.00 17.99 H new ATOM 1721 N THR A 877 1.188 -5.766 39.846 1.00 12.79 N ATOM 1722 CA THR A 877 2.471 -5.090 40.002 1.00 12.44 C ATOM 1723 C THR A 877 3.450 -5.925 40.824 1.00 13.67 C ATOM 1724 O THR A 877 4.656 -5.897 40.576 1.00 13.36 O ATOM 1725 CB THR A 877 2.305 -3.682 40.625 1.00 13.23 C ATOM 1726 OG1 THR A 877 3.511 -2.934 40.419 1.00 13.45 O ATOM 1727 CG2 THR A 877 2.006 -3.770 42.115 1.00 12.26 C ATOM 0 H THR A 877 0.533 -5.417 40.281 1.00 12.79 H new ATOM 0 HA THR A 877 2.840 -4.982 39.112 1.00 12.44 H new ATOM 0 HB THR A 877 1.557 -3.239 40.194 1.00 13.23 H new ATOM 0 HG1 THR A 877 3.467 -2.528 39.685 1.00 13.45 H new ATOM 0 HG21 THR A 877 1.907 -2.876 42.479 1.00 12.26 H new ATOM 0 HG22 THR A 877 1.184 -4.267 42.252 1.00 12.26 H new ATOM 0 HG23 THR A 877 2.736 -4.223 42.566 1.00 12.26 H new ATOM 1728 N PHE A 878 2.937 -6.676 41.795 1.00 12.57 N ATOM 1729 CA PHE A 878 3.801 -7.530 42.604 1.00 13.52 C ATOM 1730 C PHE A 878 4.441 -8.568 41.684 1.00 13.34 C ATOM 1731 O PHE A 878 5.661 -8.756 41.691 1.00 15.08 O ATOM 1732 CB PHE A 878 2.998 -8.250 43.688 1.00 14.32 C ATOM 1733 CG PHE A 878 3.775 -9.335 44.395 1.00 13.58 C ATOM 1734 CD1 PHE A 878 4.757 -9.013 45.327 1.00 13.29 C ATOM 1735 CD2 PHE A 878 3.550 -10.677 44.094 1.00 14.41 C ATOM 1736 CE1 PHE A 878 5.511 -10.016 45.949 1.00 13.89 C ATOM 1737 CE2 PHE A 878 4.296 -11.687 44.708 1.00 13.67 C ATOM 1738 CZ PHE A 878 5.281 -11.352 45.638 1.00 13.54 C ATOM 0 H PHE A 878 2.102 -6.706 42.000 1.00 12.57 H new ATOM 0 HA PHE A 878 4.476 -6.984 43.037 1.00 13.52 H new ATOM 0 HB2 PHE A 878 2.696 -7.600 44.342 1.00 14.32 H new ATOM 0 HB3 PHE A 878 2.205 -8.639 43.288 1.00 14.32 H new ATOM 0 HD1 PHE A 878 4.914 -8.121 45.539 1.00 13.29 H new ATOM 0 HD2 PHE A 878 2.894 -10.904 43.475 1.00 14.41 H new ATOM 0 HE1 PHE A 878 6.165 -9.789 46.570 1.00 13.89 H new ATOM 0 HE2 PHE A 878 4.137 -12.579 44.498 1.00 13.67 H new ATOM 0 HZ PHE A 878 5.782 -12.020 46.048 1.00 13.54 H new ATOM 1739 N ASP A 879 3.609 -9.242 40.895 1.00 14.54 N ATOM 1740 CA ASP A 879 4.099 -10.258 39.968 1.00 15.61 C ATOM 1741 C ASP A 879 5.085 -9.659 38.973 1.00 15.84 C ATOM 1742 O ASP A 879 6.083 -10.286 38.623 1.00 14.56 O ATOM 1743 CB ASP A 879 2.942 -10.897 39.195 1.00 17.05 C ATOM 1744 CG ASP A 879 2.048 -11.747 40.072 1.00 21.33 C ATOM 1745 OD1 ASP A 879 2.496 -12.155 41.164 1.00 24.18 O ATOM 1746 OD2 ASP A 879 0.902 -12.019 39.658 1.00 22.17 O ATOM 0 H ASP A 879 2.757 -9.126 40.881 1.00 14.54 H new ATOM 0 HA ASP A 879 4.548 -10.937 40.496 1.00 15.61 H new ATOM 0 HB2 ASP A 879 2.411 -10.199 38.780 1.00 17.05 H new ATOM 0 HB3 ASP A 879 3.300 -11.444 38.479 1.00 17.05 H new ATOM 1747 N LEU A 880 4.803 -8.444 38.515 1.00 15.35 N ATOM 1748 CA LEU A 880 5.674 -7.789 37.546 1.00 14.78 C ATOM 1749 C LEU A 880 7.035 -7.437 38.144 1.00 14.76 C ATOM 1750 O LEU A 880 8.063 -7.575 37.480 1.00 17.09 O ATOM 1751 CB LEU A 880 4.997 -6.529 36.995 1.00 15.56 C ATOM 1752 CG LEU A 880 5.771 -5.749 35.932 1.00 15.05 C ATOM 1753 CD1 LEU A 880 6.061 -6.634 34.725 1.00 17.00 C ATOM 1754 CD2 LEU A 880 4.949 -4.536 35.523 1.00 17.08 C ATOM 0 H LEU A 880 4.116 -7.984 38.751 1.00 15.35 H new ATOM 0 HA LEU A 880 5.828 -8.416 36.822 1.00 14.78 H new ATOM 0 HB2 LEU A 880 4.139 -6.784 36.620 1.00 15.56 H new ATOM 0 HB3 LEU A 880 4.816 -5.932 37.738 1.00 15.56 H new ATOM 0 HG LEU A 880 6.622 -5.458 36.295 1.00 15.05 H new ATOM 0 HD11 LEU A 880 6.552 -6.125 34.061 1.00 17.00 H new ATOM 0 HD12 LEU A 880 6.591 -7.397 35.003 1.00 17.00 H new ATOM 0 HD13 LEU A 880 5.225 -6.943 34.342 1.00 17.00 H new ATOM 0 HD21 LEU A 880 5.430 -4.032 34.848 1.00 17.08 H new ATOM 0 HD22 LEU A 880 4.097 -4.829 35.162 1.00 17.08 H new ATOM 0 HD23 LEU A 880 4.795 -3.973 36.298 1.00 17.08 H new ATOM 1755 N LEU A 881 7.046 -6.985 39.396 1.00 13.56 N ATOM 1756 CA LEU A 881 8.302 -6.636 40.056 1.00 13.68 C ATOM 1757 C LEU A 881 9.189 -7.873 40.176 1.00 15.43 C ATOM 1758 O LEU A 881 10.398 -7.817 39.928 1.00 14.80 O ATOM 1759 CB LEU A 881 8.037 -6.076 41.456 1.00 13.02 C ATOM 1760 CG LEU A 881 9.280 -5.834 42.325 1.00 13.41 C ATOM 1761 CD1 LEU A 881 10.164 -4.781 41.676 1.00 14.05 C ATOM 1762 CD2 LEU A 881 8.858 -5.405 43.718 1.00 15.10 C ATOM 0 H LEU A 881 6.342 -6.874 39.878 1.00 13.56 H new ATOM 0 HA LEU A 881 8.748 -5.961 39.521 1.00 13.68 H new ATOM 0 HB2 LEU A 881 7.558 -5.237 41.365 1.00 13.02 H new ATOM 0 HB3 LEU A 881 7.449 -6.689 41.925 1.00 13.02 H new ATOM 0 HG LEU A 881 9.789 -6.656 42.400 1.00 13.41 H new ATOM 0 HD11 LEU A 881 10.948 -4.631 42.228 1.00 14.05 H new ATOM 0 HD12 LEU A 881 10.441 -5.087 40.798 1.00 14.05 H new ATOM 0 HD13 LEU A 881 9.668 -3.952 41.587 1.00 14.05 H new ATOM 0 HD21 LEU A 881 9.646 -5.253 44.263 1.00 15.10 H new ATOM 0 HD22 LEU A 881 8.342 -4.586 43.662 1.00 15.10 H new ATOM 0 HD23 LEU A 881 8.316 -6.101 44.121 1.00 15.10 H new ATOM 1763 N ILE A 882 8.577 -8.989 40.558 1.00 15.10 N ATOM 1764 CA ILE A 882 9.298 -10.244 40.723 1.00 16.54 C ATOM 1765 C ILE A 882 9.966 -10.710 39.427 1.00 17.83 C ATOM 1766 O ILE A 882 11.052 -11.288 39.456 1.00 20.55 O ATOM 1767 CB ILE A 882 8.345 -11.349 41.262 1.00 17.63 C ATOM 1768 CG1 ILE A 882 7.882 -10.986 42.678 1.00 15.62 C ATOM 1769 CG2 ILE A 882 9.037 -12.707 41.254 1.00 17.92 C ATOM 1770 CD1 ILE A 882 9.008 -10.784 43.679 1.00 18.26 C ATOM 0 H ILE A 882 7.735 -9.039 40.728 1.00 15.10 H new ATOM 0 HA ILE A 882 10.004 -10.083 41.368 1.00 16.54 H new ATOM 0 HB ILE A 882 7.569 -11.406 40.682 1.00 17.63 H new ATOM 0 HG12 ILE A 882 7.354 -10.174 42.635 1.00 15.62 H new ATOM 0 HG13 ILE A 882 7.297 -11.688 43.004 1.00 15.62 H new ATOM 0 HG21 ILE A 882 8.429 -13.382 41.593 1.00 17.92 H new ATOM 0 HG22 ILE A 882 9.297 -12.932 40.347 1.00 17.92 H new ATOM 0 HG23 ILE A 882 9.826 -12.672 41.817 1.00 17.92 H new ATOM 0 HD11 ILE A 882 8.634 -10.558 44.545 1.00 18.26 H new ATOM 0 HD12 ILE A 882 9.526 -11.601 43.753 1.00 18.26 H new ATOM 0 HD13 ILE A 882 9.583 -10.063 43.378 1.00 18.26 H new ATOM 1771 N LYS A 883 9.332 -10.447 38.287 1.00 18.31 N ATOM 1772 CA LYS A 883 9.897 -10.861 37.005 1.00 19.86 C ATOM 1773 C LYS A 883 10.359 -9.675 36.160 1.00 21.32 C ATOM 1774 O LYS A 883 10.614 -9.829 34.966 1.00 22.09 O ATOM 1775 CB LYS A 883 8.864 -11.664 36.210 1.00 22.17 C ATOM 1776 CG LYS A 883 7.658 -10.846 35.771 1.00 23.18 C ATOM 1777 CD LYS A 883 6.658 -11.694 35.001 1.00 28.24 C ATOM 1778 CE LYS A 883 5.467 -10.863 34.550 1.00 30.46 C ATOM 1779 NZ LYS A 883 4.445 -11.691 33.850 1.00 33.38 N ATOM 0 H LYS A 883 8.580 -10.033 38.234 1.00 18.31 H new ATOM 0 HA LYS A 883 10.673 -11.408 37.204 1.00 19.86 H new ATOM 0 HB2 LYS A 883 9.293 -12.040 35.425 1.00 22.17 H new ATOM 0 HB3 LYS A 883 8.560 -12.409 36.751 1.00 22.17 H new ATOM 0 HG2 LYS A 883 7.226 -10.462 36.550 1.00 23.18 H new ATOM 0 HG3 LYS A 883 7.952 -10.107 35.216 1.00 23.18 H new ATOM 0 HD2 LYS A 883 7.092 -12.089 34.228 1.00 28.24 H new ATOM 0 HD3 LYS A 883 6.352 -12.426 35.560 1.00 28.24 H new ATOM 0 HE2 LYS A 883 5.063 -10.433 35.320 1.00 30.46 H new ATOM 0 HE3 LYS A 883 5.771 -10.157 33.959 1.00 30.46 H new ATOM 0 HZ1 LYS A 883 3.764 -11.175 33.601 1.00 33.38 H new ATOM 0 HZ2 LYS A 883 4.810 -12.068 33.131 1.00 33.38 H new ATOM 0 HZ3 LYS A 883 4.150 -12.326 34.400 1.00 33.38 H new ATOM 1780 N SER A 884 10.480 -8.505 36.783 1.00 21.74 N ATOM 1781 CA SER A 884 10.875 -7.290 36.067 1.00 23.02 C ATOM 1782 C SER A 884 12.135 -7.417 35.222 1.00 25.15 C ATOM 1783 O SER A 884 12.201 -6.872 34.117 1.00 23.33 O ATOM 1784 CB SER A 884 11.028 -6.120 37.045 1.00 22.26 C ATOM 1785 OG SER A 884 11.979 -6.398 38.052 1.00 25.27 O ATOM 0 H SER A 884 10.338 -8.392 37.624 1.00 21.74 H new ATOM 0 HA SER A 884 10.154 -7.126 35.440 1.00 23.02 H new ATOM 0 HB2 SER A 884 11.295 -5.325 36.558 1.00 22.26 H new ATOM 0 HB3 SER A 884 10.170 -5.927 37.455 1.00 22.26 H new ATOM 0 HG SER A 884 11.611 -6.825 38.675 1.00 25.27 H new ATOM 1786 N HIS A 885 13.137 -8.120 35.742 1.00 26.91 N ATOM 1787 CA HIS A 885 14.391 -8.311 35.016 1.00 30.36 C ATOM 1788 C HIS A 885 14.193 -9.127 33.739 1.00 30.59 C ATOM 1789 O HIS A 885 14.902 -8.934 32.751 1.00 31.36 O ATOM 1790 CB HIS A 885 15.426 -9.006 35.907 1.00 33.48 C ATOM 1791 CG HIS A 885 14.908 -10.227 36.606 1.00 37.67 C ATOM 1792 ND1 HIS A 885 15.710 -11.307 36.909 1.00 38.47 N ATOM 1793 CD2 HIS A 885 13.678 -10.525 37.091 1.00 38.57 C ATOM 1794 CE1 HIS A 885 14.997 -12.217 37.548 1.00 40.29 C ATOM 1795 NE2 HIS A 885 13.761 -11.767 37.672 1.00 40.37 N ATOM 0 H HIS A 885 13.112 -8.496 36.515 1.00 26.91 H new ATOM 0 HA HIS A 885 14.712 -7.430 34.767 1.00 30.36 H new ATOM 0 HB2 HIS A 885 16.191 -9.255 35.365 1.00 33.48 H new ATOM 0 HB3 HIS A 885 15.743 -8.374 36.571 1.00 33.48 H new ATOM 0 HD2 HIS A 885 12.920 -9.989 37.040 1.00 38.57 H new ATOM 0 HE1 HIS A 885 15.312 -13.035 37.858 1.00 40.29 H new ATOM 0 HE2 HIS A 885 13.113 -12.184 38.054 1.00 40.37 H new ATOM 1796 N MET A 886 13.223 -10.034 33.763 1.00 29.95 N ATOM 1797 CA MET A 886 12.941 -10.890 32.616 1.00 31.52 C ATOM 1798 C MET A 886 12.175 -10.183 31.498 1.00 30.25 C ATOM 1799 O MET A 886 12.302 -10.549 30.328 1.00 28.60 O ATOM 1800 CB MET A 886 12.147 -12.118 33.069 1.00 34.73 C ATOM 1801 CG MET A 886 12.846 -12.972 34.119 1.00 40.52 C ATOM 1802 SD MET A 886 14.367 -13.743 33.514 1.00 47.50 S ATOM 1803 CE MET A 886 15.602 -12.557 34.059 1.00 45.85 C ATOM 0 H MET A 886 12.712 -10.171 34.441 1.00 29.95 H new ATOM 0 HA MET A 886 13.802 -11.147 32.251 1.00 31.52 H new ATOM 0 HB2 MET A 886 11.293 -11.824 33.424 1.00 34.73 H new ATOM 0 HB3 MET A 886 11.957 -12.670 32.294 1.00 34.73 H new ATOM 0 HG2 MET A 886 13.054 -12.421 34.889 1.00 40.52 H new ATOM 0 HG3 MET A 886 12.238 -13.664 34.422 1.00 40.52 H new ATOM 0 HE1 MET A 886 16.239 -12.401 33.344 1.00 45.85 H new ATOM 0 HE2 MET A 886 15.168 -11.722 34.292 1.00 45.85 H new ATOM 0 HE3 MET A 886 16.067 -12.907 34.835 1.00 45.85 H new ATOM 1804 N VAL A 887 11.383 -9.174 31.851 1.00 27.58 N ATOM 1805 CA VAL A 887 10.590 -8.456 30.855 1.00 26.46 C ATOM 1806 C VAL A 887 11.039 -7.021 30.572 1.00 25.66 C ATOM 1807 O VAL A 887 10.329 -6.263 29.909 1.00 23.62 O ATOM 1808 CB VAL A 887 9.098 -8.437 31.255 1.00 26.20 C ATOM 1809 CG1 VAL A 887 8.522 -9.846 31.181 1.00 27.59 C ATOM 1810 CG2 VAL A 887 8.949 -7.876 32.658 1.00 26.87 C ATOM 0 H VAL A 887 11.290 -8.890 32.657 1.00 27.58 H new ATOM 0 HA VAL A 887 10.731 -8.954 30.035 1.00 26.46 H new ATOM 0 HB VAL A 887 8.609 -7.870 30.639 1.00 26.20 H new ATOM 0 HG11 VAL A 887 7.586 -9.827 31.433 1.00 27.59 H new ATOM 0 HG12 VAL A 887 8.606 -10.183 30.275 1.00 27.59 H new ATOM 0 HG13 VAL A 887 9.008 -10.427 31.787 1.00 27.59 H new ATOM 0 HG21 VAL A 887 8.011 -7.866 32.905 1.00 26.87 H new ATOM 0 HG22 VAL A 887 9.441 -8.431 33.283 1.00 26.87 H new ATOM 0 HG23 VAL A 887 9.299 -6.972 32.684 1.00 26.87 H new ATOM 1811 N SER A 888 12.214 -6.655 31.076 1.00 24.51 N ATOM 1812 CA SER A 888 12.771 -5.323 30.859 1.00 23.95 C ATOM 1813 C SER A 888 11.913 -4.164 31.366 1.00 22.39 C ATOM 1814 O SER A 888 11.799 -3.134 30.702 1.00 21.12 O ATOM 1815 CB SER A 888 13.062 -5.114 29.368 1.00 27.12 C ATOM 1816 OG SER A 888 14.001 -6.063 28.891 1.00 30.23 O ATOM 0 H SER A 888 12.710 -7.171 31.553 1.00 24.51 H new ATOM 0 HA SER A 888 13.583 -5.304 31.389 1.00 23.95 H new ATOM 0 HB2 SER A 888 12.238 -5.188 28.862 1.00 27.12 H new ATOM 0 HB3 SER A 888 13.403 -4.217 29.225 1.00 27.12 H new ATOM 0 HG SER A 888 14.143 -5.930 28.074 1.00 30.23 H new ATOM 1817 N VAL A 889 11.308 -4.327 32.537 1.00 20.25 N ATOM 1818 CA VAL A 889 10.498 -3.258 33.110 1.00 19.73 C ATOM 1819 C VAL A 889 11.254 -2.635 34.281 1.00 20.73 C ATOM 1820 O VAL A 889 11.705 -3.332 35.190 1.00 20.76 O ATOM 1821 CB VAL A 889 9.122 -3.778 33.594 1.00 18.94 C ATOM 1822 CG1 VAL A 889 8.406 -2.697 34.407 1.00 18.47 C ATOM 1823 CG2 VAL A 889 8.269 -4.168 32.395 1.00 18.73 C ATOM 0 H VAL A 889 11.353 -5.042 33.013 1.00 20.25 H new ATOM 0 HA VAL A 889 10.335 -2.595 32.421 1.00 19.73 H new ATOM 0 HB VAL A 889 9.260 -4.556 34.157 1.00 18.94 H new ATOM 0 HG11 VAL A 889 7.546 -3.032 34.705 1.00 18.47 H new ATOM 0 HG12 VAL A 889 8.945 -2.461 35.178 1.00 18.47 H new ATOM 0 HG13 VAL A 889 8.272 -1.911 33.854 1.00 18.47 H new ATOM 0 HG21 VAL A 889 7.408 -4.493 32.702 1.00 18.73 H new ATOM 0 HG22 VAL A 889 8.137 -3.394 31.826 1.00 18.73 H new ATOM 0 HG23 VAL A 889 8.717 -4.866 31.892 1.00 18.73 H new ATOM 1824 N ASP A 890 11.397 -1.316 34.244 1.00 19.86 N ATOM 1825 CA ASP A 890 12.102 -0.590 35.289 1.00 21.18 C ATOM 1826 C ASP A 890 11.181 -0.136 36.416 1.00 20.50 C ATOM 1827 O ASP A 890 10.113 0.425 36.170 1.00 20.02 O ATOM 1828 CB ASP A 890 12.795 0.636 34.689 1.00 24.10 C ATOM 1829 CG ASP A 890 13.841 0.267 33.656 1.00 30.22 C ATOM 1830 OD1 ASP A 890 14.193 1.137 32.832 1.00 32.59 O ATOM 1831 OD2 ASP A 890 14.318 -0.888 33.675 1.00 31.34 O ATOM 0 H ASP A 890 11.089 -0.819 33.614 1.00 19.86 H new ATOM 0 HA ASP A 890 12.752 -1.202 35.668 1.00 21.18 H new ATOM 0 HB2 ASP A 890 12.130 1.211 34.280 1.00 24.10 H new ATOM 0 HB3 ASP A 890 13.213 1.147 35.400 1.00 24.10 H new ATOM 1832 N PHE A 891 11.599 -0.393 37.652 1.00 19.82 N ATOM 1833 CA PHE A 891 10.851 0.033 38.830 1.00 17.02 C ATOM 1834 C PHE A 891 11.716 1.026 39.596 1.00 18.35 C ATOM 1835 O PHE A 891 12.833 0.694 40.002 1.00 18.09 O ATOM 1836 CB PHE A 891 10.535 -1.142 39.764 1.00 17.62 C ATOM 1837 CG PHE A 891 9.323 -1.936 39.369 1.00 15.98 C ATOM 1838 CD1 PHE A 891 9.397 -2.898 38.367 1.00 17.13 C ATOM 1839 CD2 PHE A 891 8.102 -1.727 40.010 1.00 16.60 C ATOM 1840 CE1 PHE A 891 8.272 -3.645 38.007 1.00 16.85 C ATOM 1841 CE2 PHE A 891 6.971 -2.469 39.658 1.00 16.95 C ATOM 1842 CZ PHE A 891 7.058 -3.430 38.654 1.00 16.74 C ATOM 0 H PHE A 891 12.324 -0.819 37.831 1.00 19.82 H new ATOM 0 HA PHE A 891 10.012 0.423 38.538 1.00 17.02 H new ATOM 0 HB2 PHE A 891 11.302 -1.735 39.792 1.00 17.62 H new ATOM 0 HB3 PHE A 891 10.407 -0.801 40.663 1.00 17.62 H new ATOM 0 HD1 PHE A 891 10.205 -3.046 37.931 1.00 17.13 H new ATOM 0 HD2 PHE A 891 8.040 -1.085 40.680 1.00 16.60 H new ATOM 0 HE1 PHE A 891 8.334 -4.285 37.336 1.00 16.85 H new ATOM 0 HE2 PHE A 891 6.162 -2.321 40.093 1.00 16.95 H new ATOM 0 HZ PHE A 891 6.308 -3.926 38.417 1.00 16.74 H new ATOM 1843 N PRO A 892 11.220 2.257 39.800 1.00 18.66 N ATOM 1844 CA PRO A 892 11.994 3.263 40.534 1.00 18.57 C ATOM 1845 C PRO A 892 12.159 2.854 41.996 1.00 19.00 C ATOM 1846 O PRO A 892 11.502 1.924 42.465 1.00 19.80 O ATOM 1847 CB PRO A 892 11.153 4.529 40.381 1.00 20.41 C ATOM 1848 CG PRO A 892 10.447 4.315 39.079 1.00 20.80 C ATOM 1849 CD PRO A 892 10.034 2.871 39.175 1.00 18.39 C ATOM 0 HA PRO A 892 12.898 3.380 40.202 1.00 18.57 H new ATOM 0 HB2 PRO A 892 10.527 4.634 41.115 1.00 20.41 H new ATOM 0 HB3 PRO A 892 11.705 5.326 40.362 1.00 20.41 H new ATOM 0 HG2 PRO A 892 9.683 4.905 38.980 1.00 20.80 H new ATOM 0 HG3 PRO A 892 11.030 4.476 38.320 1.00 20.80 H new ATOM 0 HD2 PRO A 892 9.237 2.756 39.716 1.00 18.39 H new ATOM 0 HD3 PRO A 892 9.843 2.489 38.304 1.00 18.39 H new ATOM 1850 N GLU A 893 13.021 3.571 42.711 1.00 20.64 N ATOM 1851 CA GLU A 893 13.319 3.293 44.115 1.00 22.24 C ATOM 1852 C GLU A 893 12.130 3.090 45.055 1.00 21.98 C ATOM 1853 O GLU A 893 11.947 2.002 45.606 1.00 21.55 O ATOM 1854 CB GLU A 893 14.213 4.402 44.677 1.00 26.44 C ATOM 1855 CG GLU A 893 14.646 4.186 46.117 1.00 33.09 C ATOM 1856 CD GLU A 893 15.390 5.382 46.687 1.00 36.94 C ATOM 1857 OE1 GLU A 893 16.445 5.750 46.128 1.00 38.13 O ATOM 1858 OE2 GLU A 893 14.916 5.953 47.693 1.00 39.95 O ATOM 0 H GLU A 893 13.455 4.241 42.391 1.00 20.64 H new ATOM 0 HA GLU A 893 13.759 2.429 44.091 1.00 22.24 H new ATOM 0 HB2 GLU A 893 15.004 4.479 44.121 1.00 26.44 H new ATOM 0 HB3 GLU A 893 13.740 5.247 44.616 1.00 26.44 H new ATOM 0 HG2 GLU A 893 13.865 4.005 46.663 1.00 33.09 H new ATOM 0 HG3 GLU A 893 15.215 3.402 46.166 1.00 33.09 H new ATOM 1859 N MET A 894 11.334 4.135 45.254 1.00 20.50 N ATOM 1860 CA MET A 894 10.193 4.047 46.154 1.00 21.37 C ATOM 1861 C MET A 894 9.166 3.000 45.754 1.00 18.83 C ATOM 1862 O MET A 894 8.627 2.302 46.612 1.00 18.99 O ATOM 1863 CB MET A 894 9.514 5.410 46.296 1.00 23.70 C ATOM 1864 CG MET A 894 10.306 6.393 47.143 1.00 31.03 C ATOM 1865 SD MET A 894 10.874 5.638 48.695 1.00 39.41 S ATOM 1866 CE MET A 894 9.298 5.208 49.465 1.00 35.00 C ATOM 0 H MET A 894 11.438 4.902 44.878 1.00 20.50 H new ATOM 0 HA MET A 894 10.556 3.762 47.007 1.00 21.37 H new ATOM 0 HB2 MET A 894 9.378 5.790 45.414 1.00 23.70 H new ATOM 0 HB3 MET A 894 8.636 5.287 46.690 1.00 23.70 H new ATOM 0 HG2 MET A 894 11.071 6.712 46.639 1.00 31.03 H new ATOM 0 HG3 MET A 894 9.755 7.166 47.342 1.00 31.03 H new ATOM 0 HE1 MET A 894 9.450 4.934 50.383 1.00 35.00 H new ATOM 0 HE2 MET A 894 8.710 5.979 49.452 1.00 35.00 H new ATOM 0 HE3 MET A 894 8.886 4.480 48.974 1.00 35.00 H new ATOM 1867 N MET A 895 8.887 2.893 44.459 1.00 18.00 N ATOM 1868 CA MET A 895 7.923 1.908 43.992 1.00 16.81 C ATOM 1869 C MET A 895 8.408 0.498 44.326 1.00 17.25 C ATOM 1870 O MET A 895 7.642 -0.326 44.817 1.00 16.82 O ATOM 1871 CB MET A 895 7.707 2.047 42.482 1.00 18.33 C ATOM 1872 CG MET A 895 6.905 3.283 42.072 1.00 17.25 C ATOM 1873 SD MET A 895 5.154 3.175 42.541 1.00 18.87 S ATOM 1874 CE MET A 895 4.509 2.258 41.176 1.00 22.04 C ATOM 0 H MET A 895 9.241 3.376 43.842 1.00 18.00 H new ATOM 0 HA MET A 895 7.078 2.064 44.442 1.00 16.81 H new ATOM 0 HB2 MET A 895 8.572 2.075 42.043 1.00 18.33 H new ATOM 0 HB3 MET A 895 7.250 1.255 42.157 1.00 18.33 H new ATOM 0 HG2 MET A 895 7.298 4.069 42.483 1.00 17.25 H new ATOM 0 HG3 MET A 895 6.971 3.402 41.112 1.00 17.25 H new ATOM 0 HE1 MET A 895 3.540 2.311 41.179 1.00 22.04 H new ATOM 0 HE2 MET A 895 4.850 2.628 40.347 1.00 22.04 H new ATOM 0 HE3 MET A 895 4.782 1.330 41.251 1.00 22.04 H new ATOM 1875 N ALA A 896 9.686 0.227 44.077 1.00 16.60 N ATOM 1876 CA ALA A 896 10.241 -1.098 44.354 1.00 17.75 C ATOM 1877 C ALA A 896 10.170 -1.433 45.839 1.00 17.42 C ATOM 1878 O ALA A 896 9.865 -2.569 46.216 1.00 17.54 O ATOM 1879 CB ALA A 896 11.680 -1.173 43.871 1.00 17.93 C ATOM 0 H ALA A 896 10.247 0.791 43.750 1.00 16.60 H new ATOM 0 HA ALA A 896 9.707 -1.751 43.875 1.00 17.75 H new ATOM 0 HB1 ALA A 896 12.039 -2.054 44.059 1.00 17.93 H new ATOM 0 HB2 ALA A 896 11.710 -1.009 42.915 1.00 17.93 H new ATOM 0 HB3 ALA A 896 12.211 -0.503 44.330 1.00 17.93 H new ATOM 1880 N GLU A 897 10.451 -0.440 46.677 1.00 18.08 N ATOM 1881 CA GLU A 897 10.413 -0.628 48.121 1.00 18.94 C ATOM 1882 C GLU A 897 9.001 -0.928 48.606 1.00 17.96 C ATOM 1883 O GLU A 897 8.768 -1.926 49.280 1.00 17.32 O ATOM 1884 CB GLU A 897 10.932 0.620 48.839 1.00 21.21 C ATOM 1885 CG GLU A 897 10.911 0.490 50.356 1.00 26.59 C ATOM 1886 CD GLU A 897 11.276 1.779 51.063 1.00 31.53 C ATOM 1887 OE1 GLU A 897 12.359 2.330 50.774 1.00 33.41 O ATOM 1888 OE2 GLU A 897 10.480 2.238 51.911 1.00 35.00 O ATOM 0 H GLU A 897 10.667 0.354 46.427 1.00 18.08 H new ATOM 0 HA GLU A 897 10.983 -1.386 48.327 1.00 18.94 H new ATOM 0 HB2 GLU A 897 11.840 0.800 48.548 1.00 21.21 H new ATOM 0 HB3 GLU A 897 10.394 1.384 48.578 1.00 21.21 H new ATOM 0 HG2 GLU A 897 10.027 0.210 50.640 1.00 26.59 H new ATOM 0 HG3 GLU A 897 11.529 -0.207 50.625 1.00 26.59 H new ATOM 1889 N ILE A 898 8.057 -0.066 48.252 1.00 16.20 N ATOM 1890 CA ILE A 898 6.675 -0.242 48.679 1.00 17.27 C ATOM 1891 C ILE A 898 6.016 -1.520 48.156 1.00 15.96 C ATOM 1892 O ILE A 898 5.245 -2.163 48.870 1.00 14.89 O ATOM 1893 CB ILE A 898 5.821 0.986 48.274 1.00 18.43 C ATOM 1894 CG1 ILE A 898 6.289 2.212 49.064 1.00 20.37 C ATOM 1895 CG2 ILE A 898 4.349 0.723 48.544 1.00 22.16 C ATOM 1896 CD1 ILE A 898 5.556 3.495 48.704 1.00 22.11 C ATOM 0 H ILE A 898 8.195 0.629 47.764 1.00 16.20 H new ATOM 0 HA ILE A 898 6.711 -0.326 49.645 1.00 17.27 H new ATOM 0 HB ILE A 898 5.932 1.150 47.325 1.00 18.43 H new ATOM 0 HG12 ILE A 898 6.173 2.039 50.011 1.00 20.37 H new ATOM 0 HG13 ILE A 898 7.239 2.340 48.913 1.00 20.37 H new ATOM 0 HG21 ILE A 898 3.829 1.500 48.286 1.00 22.16 H new ATOM 0 HG22 ILE A 898 4.058 -0.046 48.030 1.00 22.16 H new ATOM 0 HG23 ILE A 898 4.220 0.547 49.489 1.00 22.16 H new ATOM 0 HD11 ILE A 898 5.901 4.226 49.239 1.00 22.11 H new ATOM 0 HD12 ILE A 898 5.690 3.692 47.764 1.00 22.11 H new ATOM 0 HD13 ILE A 898 4.608 3.386 48.879 1.00 22.11 H new ATOM 1897 N ILE A 899 6.325 -1.895 46.919 1.00 15.30 N ATOM 1898 CA ILE A 899 5.731 -3.087 46.334 1.00 13.61 C ATOM 1899 C ILE A 899 6.325 -4.385 46.879 1.00 14.35 C ATOM 1900 O ILE A 899 5.676 -5.432 46.840 1.00 14.76 O ATOM 1901 CB ILE A 899 5.836 -3.036 44.784 1.00 14.79 C ATOM 1902 CG1 ILE A 899 4.971 -1.876 44.274 1.00 13.68 C ATOM 1903 CG2 ILE A 899 5.358 -4.353 44.162 1.00 15.02 C ATOM 1904 CD1 ILE A 899 5.180 -1.516 42.816 1.00 14.09 C ATOM 0 H ILE A 899 6.873 -1.475 46.406 1.00 15.30 H new ATOM 0 HA ILE A 899 4.796 -3.090 46.592 1.00 13.61 H new ATOM 0 HB ILE A 899 6.762 -2.903 44.530 1.00 14.79 H new ATOM 0 HG12 ILE A 899 4.037 -2.103 44.407 1.00 13.68 H new ATOM 0 HG13 ILE A 899 5.152 -1.092 44.816 1.00 13.68 H new ATOM 0 HG21 ILE A 899 5.431 -4.300 43.196 1.00 15.02 H new ATOM 0 HG22 ILE A 899 5.907 -5.083 44.488 1.00 15.02 H new ATOM 0 HG23 ILE A 899 4.433 -4.510 44.407 1.00 15.02 H new ATOM 0 HD11 ILE A 899 4.598 -0.778 42.578 1.00 14.09 H new ATOM 0 HD12 ILE A 899 6.104 -1.256 42.676 1.00 14.09 H new ATOM 0 HD13 ILE A 899 4.972 -2.283 42.260 1.00 14.09 H new ATOM 1905 N SER A 900 7.545 -4.320 47.404 1.00 14.25 N ATOM 1906 CA SER A 900 8.177 -5.516 47.952 1.00 15.21 C ATOM 1907 C SER A 900 8.033 -5.599 49.471 1.00 16.39 C ATOM 1908 O SER A 900 8.133 -6.681 50.050 1.00 15.88 O ATOM 1909 CB SER A 900 9.666 -5.559 47.575 1.00 15.75 C ATOM 1910 OG SER A 900 10.391 -4.510 48.200 1.00 15.18 O ATOM 0 H SER A 900 8.018 -3.604 47.453 1.00 14.25 H new ATOM 0 HA SER A 900 7.720 -6.279 47.566 1.00 15.21 H new ATOM 0 HB2 SER A 900 10.042 -6.414 47.836 1.00 15.75 H new ATOM 0 HB3 SER A 900 9.759 -5.490 46.612 1.00 15.75 H new ATOM 0 HG SER A 900 10.345 -3.817 47.728 1.00 15.18 H new ATOM 1911 N VAL A 901 7.788 -4.461 50.115 1.00 16.39 N ATOM 1912 CA VAL A 901 7.657 -4.430 51.569 1.00 16.79 C ATOM 1913 C VAL A 901 6.227 -4.278 52.078 1.00 18.02 C ATOM 1914 O VAL A 901 5.817 -4.976 53.002 1.00 18.08 O ATOM 1915 CB VAL A 901 8.504 -3.286 52.174 1.00 17.39 C ATOM 1916 CG1 VAL A 901 8.301 -3.223 53.685 1.00 19.66 C ATOM 1917 CG2 VAL A 901 9.969 -3.499 51.843 1.00 17.78 C ATOM 0 H VAL A 901 7.694 -3.698 49.730 1.00 16.39 H new ATOM 0 HA VAL A 901 7.976 -5.300 51.857 1.00 16.79 H new ATOM 0 HB VAL A 901 8.217 -2.442 51.791 1.00 17.39 H new ATOM 0 HG11 VAL A 901 8.836 -2.503 54.054 1.00 19.66 H new ATOM 0 HG12 VAL A 901 7.364 -3.062 53.879 1.00 19.66 H new ATOM 0 HG13 VAL A 901 8.573 -4.064 54.084 1.00 19.66 H new ATOM 0 HG21 VAL A 901 10.495 -2.779 52.225 1.00 17.78 H new ATOM 0 HG22 VAL A 901 10.265 -4.346 52.212 1.00 17.78 H new ATOM 0 HG23 VAL A 901 10.085 -3.509 50.880 1.00 17.78 H new ATOM 1918 N GLN A 902 5.469 -3.370 51.473 1.00 16.30 N ATOM 1919 CA GLN A 902 4.103 -3.116 51.909 1.00 17.51 C ATOM 1920 C GLN A 902 3.015 -3.882 51.160 1.00 17.03 C ATOM 1921 O GLN A 902 2.132 -4.476 51.781 1.00 16.59 O ATOM 1922 CB GLN A 902 3.833 -1.612 51.843 1.00 18.51 C ATOM 1923 CG GLN A 902 4.817 -0.801 52.677 1.00 21.44 C ATOM 1924 CD GLN A 902 4.561 -0.929 54.166 1.00 23.12 C ATOM 1925 OE1 GLN A 902 4.265 -2.012 54.667 1.00 24.19 O ATOM 1926 NE2 GLN A 902 4.680 0.181 54.883 1.00 26.01 N ATOM 0 H GLN A 902 5.728 -2.890 50.808 1.00 16.30 H new ATOM 0 HA GLN A 902 4.050 -3.451 52.818 1.00 17.51 H new ATOM 0 HB2 GLN A 902 3.879 -1.319 50.919 1.00 18.51 H new ATOM 0 HB3 GLN A 902 2.931 -1.435 52.152 1.00 18.51 H new ATOM 0 HG2 GLN A 902 5.721 -1.094 52.481 1.00 21.44 H new ATOM 0 HG3 GLN A 902 4.760 0.133 52.421 1.00 21.44 H new ATOM 0 HE21 GLN A 902 4.889 0.921 54.498 1.00 26.01 H new ATOM 0 HE22 GLN A 902 4.548 0.160 55.733 1.00 26.01 H new ATOM 1927 N VAL A 903 3.072 -3.880 49.832 1.00 16.08 N ATOM 1928 CA VAL A 903 2.060 -4.579 49.048 1.00 14.61 C ATOM 1929 C VAL A 903 1.881 -6.051 49.441 1.00 14.38 C ATOM 1930 O VAL A 903 0.756 -6.537 49.498 1.00 14.57 O ATOM 1931 CB VAL A 903 2.344 -4.449 47.526 1.00 15.04 C ATOM 1932 CG1 VAL A 903 1.390 -5.335 46.724 1.00 14.09 C ATOM 1933 CG2 VAL A 903 2.166 -2.992 47.101 1.00 16.64 C ATOM 0 H VAL A 903 3.681 -3.485 49.370 1.00 16.08 H new ATOM 0 HA VAL A 903 1.220 -4.140 49.254 1.00 14.61 H new ATOM 0 HB VAL A 903 3.254 -4.735 47.351 1.00 15.04 H new ATOM 0 HG11 VAL A 903 1.580 -5.242 45.777 1.00 14.09 H new ATOM 0 HG12 VAL A 903 1.509 -6.261 46.988 1.00 14.09 H new ATOM 0 HG13 VAL A 903 0.475 -5.065 46.897 1.00 14.09 H new ATOM 0 HG21 VAL A 903 2.343 -2.908 46.151 1.00 16.64 H new ATOM 0 HG22 VAL A 903 1.257 -2.709 47.287 1.00 16.64 H new ATOM 0 HG23 VAL A 903 2.785 -2.433 47.595 1.00 16.64 H new ATOM 1934 N PRO A 904 2.980 -6.778 49.733 1.00 14.99 N ATOM 1935 CA PRO A 904 2.809 -8.189 50.112 1.00 16.13 C ATOM 1936 C PRO A 904 1.996 -8.371 51.396 1.00 16.04 C ATOM 1937 O PRO A 904 1.376 -9.414 51.598 1.00 16.24 O ATOM 1938 CB PRO A 904 4.245 -8.686 50.270 1.00 15.31 C ATOM 1939 CG PRO A 904 5.016 -7.811 49.305 1.00 14.38 C ATOM 1940 CD PRO A 904 4.408 -6.449 49.586 1.00 15.09 C ATOM 0 HA PRO A 904 2.302 -8.686 49.451 1.00 16.13 H new ATOM 0 HB2 PRO A 904 4.563 -8.583 51.181 1.00 15.31 H new ATOM 0 HB3 PRO A 904 4.326 -9.626 50.046 1.00 15.31 H new ATOM 0 HG2 PRO A 904 5.970 -7.828 49.478 1.00 14.38 H new ATOM 0 HG3 PRO A 904 4.890 -8.084 48.383 1.00 14.38 H new ATOM 0 HD2 PRO A 904 4.773 -6.047 50.390 1.00 15.09 H new ATOM 0 HD3 PRO A 904 4.564 -5.825 48.860 1.00 15.09 H new ATOM 1941 N LYS A 905 2.013 -7.366 52.271 1.00 17.52 N ATOM 1942 CA LYS A 905 1.249 -7.443 53.513 1.00 16.95 C ATOM 1943 C LYS A 905 -0.235 -7.456 53.158 1.00 17.59 C ATOM 1944 O LYS A 905 -1.050 -8.090 53.831 1.00 16.44 O ATOM 1945 CB LYS A 905 1.549 -6.239 54.413 1.00 18.47 C ATOM 1946 CG LYS A 905 2.958 -6.191 54.990 1.00 21.20 C ATOM 1947 CD LYS A 905 3.106 -4.992 55.925 1.00 23.25 C ATOM 1948 CE LYS A 905 4.453 -4.980 56.638 1.00 26.61 C ATOM 1949 NZ LYS A 905 5.590 -4.779 55.704 1.00 29.04 N ATOM 0 H LYS A 905 2.457 -6.637 52.165 1.00 17.52 H new ATOM 0 HA LYS A 905 1.495 -8.248 53.994 1.00 16.95 H new ATOM 0 HB2 LYS A 905 1.396 -5.428 53.904 1.00 18.47 H new ATOM 0 HB3 LYS A 905 0.915 -6.237 55.147 1.00 18.47 H new ATOM 0 HG2 LYS A 905 3.145 -7.011 55.473 1.00 21.20 H new ATOM 0 HG3 LYS A 905 3.607 -6.131 54.271 1.00 21.20 H new ATOM 0 HD2 LYS A 905 3.004 -4.173 55.416 1.00 23.25 H new ATOM 0 HD3 LYS A 905 2.394 -5.007 56.583 1.00 23.25 H new ATOM 0 HE2 LYS A 905 4.457 -4.275 57.304 1.00 26.61 H new ATOM 0 HE3 LYS A 905 4.572 -5.818 57.112 1.00 26.61 H new ATOM 0 HZ1 LYS A 905 6.234 -5.364 55.890 1.00 29.04 H new ATOM 0 HZ2 LYS A 905 5.312 -4.901 54.867 1.00 29.04 H new ATOM 0 HZ3 LYS A 905 5.906 -3.952 55.794 1.00 29.04 H new ATOM 1950 N ILE A 906 -0.579 -6.743 52.090 1.00 17.44 N ATOM 1951 CA ILE A 906 -1.962 -6.678 51.634 1.00 16.35 C ATOM 1952 C ILE A 906 -2.351 -7.993 50.968 1.00 17.24 C ATOM 1953 O ILE A 906 -3.389 -8.578 51.275 1.00 17.07 O ATOM 1954 CB ILE A 906 -2.159 -5.538 50.609 1.00 16.61 C ATOM 1955 CG1 ILE A 906 -1.830 -4.189 51.253 1.00 18.21 C ATOM 1956 CG2 ILE A 906 -3.589 -5.551 50.086 1.00 18.63 C ATOM 1957 CD1 ILE A 906 -1.802 -3.022 50.259 1.00 15.03 C ATOM 0 H ILE A 906 -0.025 -6.289 51.615 1.00 17.44 H new ATOM 0 HA ILE A 906 -2.520 -6.511 52.410 1.00 16.35 H new ATOM 0 HB ILE A 906 -1.556 -5.675 49.861 1.00 16.61 H new ATOM 0 HG12 ILE A 906 -2.486 -4.000 51.943 1.00 18.21 H new ATOM 0 HG13 ILE A 906 -0.967 -4.251 51.691 1.00 18.21 H new ATOM 0 HG21 ILE A 906 -3.705 -4.833 49.444 1.00 18.63 H new ATOM 0 HG22 ILE A 906 -3.769 -6.402 49.656 1.00 18.63 H new ATOM 0 HG23 ILE A 906 -4.205 -5.426 50.825 1.00 18.63 H new ATOM 0 HD11 ILE A 906 -1.589 -2.201 50.729 1.00 15.03 H new ATOM 0 HD12 ILE A 906 -1.129 -3.190 49.581 1.00 15.03 H new ATOM 0 HD13 ILE A 906 -2.671 -2.936 49.836 1.00 15.03 H new ATOM 1958 N LEU A 907 -1.503 -8.456 50.056 1.00 16.43 N ATOM 1959 CA LEU A 907 -1.768 -9.691 49.334 1.00 17.13 C ATOM 1960 C LEU A 907 -1.826 -10.927 50.234 1.00 17.21 C ATOM 1961 O LEU A 907 -2.550 -11.876 49.934 1.00 18.56 O ATOM 1962 CB LEU A 907 -0.721 -9.875 48.231 1.00 16.29 C ATOM 1963 CG LEU A 907 -0.726 -8.760 47.174 1.00 17.83 C ATOM 1964 CD1 LEU A 907 0.354 -9.012 46.138 1.00 18.82 C ATOM 1965 CD2 LEU A 907 -2.097 -8.697 46.505 1.00 18.11 C ATOM 0 H LEU A 907 -0.767 -8.067 49.841 1.00 16.43 H new ATOM 0 HA LEU A 907 -2.652 -9.607 48.945 1.00 17.13 H new ATOM 0 HB2 LEU A 907 0.159 -9.919 48.637 1.00 16.29 H new ATOM 0 HB3 LEU A 907 -0.874 -10.726 47.791 1.00 16.29 H new ATOM 0 HG LEU A 907 -0.543 -7.911 47.606 1.00 17.83 H new ATOM 0 HD11 LEU A 907 0.341 -8.302 45.477 1.00 18.82 H new ATOM 0 HD12 LEU A 907 1.221 -9.032 46.572 1.00 18.82 H new ATOM 0 HD13 LEU A 907 0.192 -9.863 45.701 1.00 18.82 H new ATOM 0 HD21 LEU A 907 -2.100 -7.993 45.838 1.00 18.11 H new ATOM 0 HD22 LEU A 907 -2.288 -9.547 46.078 1.00 18.11 H new ATOM 0 HD23 LEU A 907 -2.775 -8.511 47.173 1.00 18.11 H new ATOM 1966 N SER A 908 -1.081 -10.913 51.337 1.00 16.15 N ATOM 1967 CA SER A 908 -1.074 -12.055 52.254 1.00 16.50 C ATOM 1968 C SER A 908 -2.165 -11.956 53.319 1.00 17.37 C ATOM 1969 O SER A 908 -2.240 -12.795 54.218 1.00 19.00 O ATOM 1970 CB SER A 908 0.300 -12.201 52.921 1.00 16.21 C ATOM 1971 OG SER A 908 0.589 -11.105 53.768 1.00 18.65 O ATOM 0 H SER A 908 -0.576 -10.258 51.573 1.00 16.15 H new ATOM 0 HA SER A 908 -1.260 -12.844 51.721 1.00 16.50 H new ATOM 0 HB2 SER A 908 0.325 -13.023 53.435 1.00 16.21 H new ATOM 0 HB3 SER A 908 0.986 -12.273 52.238 1.00 16.21 H new ATOM 0 HG SER A 908 0.843 -10.452 53.305 1.00 18.65 H new ATOM 1972 N GLY A 909 -2.998 -10.922 53.225 1.00 16.96 N ATOM 1973 CA GLY A 909 -4.096 -10.757 54.165 1.00 17.40 C ATOM 1974 C GLY A 909 -3.818 -10.120 55.517 1.00 17.21 C ATOM 1975 O GLY A 909 -4.692 -10.117 56.389 1.00 19.28 O ATOM 0 H GLY A 909 -2.943 -10.308 52.625 1.00 16.96 H new ATOM 0 HA2 GLY A 909 -4.780 -10.227 53.727 1.00 17.40 H new ATOM 0 HA3 GLY A 909 -4.477 -11.634 54.327 1.00 17.40 H new ATOM 1976 N LYS A 910 -2.621 -9.579 55.704 1.00 16.65 N ATOM 1977 CA LYS A 910 -2.266 -8.940 56.966 1.00 17.89 C ATOM 1978 C LYS A 910 -2.793 -7.506 57.028 1.00 17.98 C ATOM 1979 O LYS A 910 -3.017 -6.961 58.111 1.00 18.09 O ATOM 1980 CB LYS A 910 -0.745 -8.967 57.146 1.00 19.36 C ATOM 1981 CG LYS A 910 -0.201 -10.387 57.218 1.00 20.74 C ATOM 1982 CD LYS A 910 1.310 -10.458 57.057 1.00 24.61 C ATOM 1983 CE LYS A 910 2.042 -9.819 58.212 1.00 26.04 C ATOM 1984 NZ LYS A 910 3.506 -10.076 58.105 1.00 26.80 N ATOM 0 H LYS A 910 -1.998 -9.571 55.112 1.00 16.65 H new ATOM 0 HA LYS A 910 -2.681 -9.434 57.691 1.00 17.89 H new ATOM 0 HB2 LYS A 910 -0.325 -8.498 56.408 1.00 19.36 H new ATOM 0 HB3 LYS A 910 -0.508 -8.490 57.957 1.00 19.36 H new ATOM 0 HG2 LYS A 910 -0.449 -10.779 58.070 1.00 20.74 H new ATOM 0 HG3 LYS A 910 -0.620 -10.923 56.527 1.00 20.74 H new ATOM 0 HD2 LYS A 910 1.581 -11.386 56.979 1.00 24.61 H new ATOM 0 HD3 LYS A 910 1.566 -10.017 56.232 1.00 24.61 H new ATOM 0 HE2 LYS A 910 1.875 -8.863 58.219 1.00 26.04 H new ATOM 0 HE3 LYS A 910 1.706 -10.172 59.051 1.00 26.04 H new ATOM 0 HZ1 LYS A 910 3.926 -9.695 58.791 1.00 26.80 H new ATOM 0 HZ2 LYS A 910 3.655 -10.953 58.117 1.00 26.80 H new ATOM 0 HZ3 LYS A 910 3.813 -9.734 57.343 1.00 26.80 H new ATOM 1985 N VAL A 911 -2.985 -6.904 55.857 1.00 15.85 N ATOM 1986 CA VAL A 911 -3.508 -5.544 55.750 1.00 16.24 C ATOM 1987 C VAL A 911 -4.755 -5.681 54.888 1.00 15.91 C ATOM 1988 O VAL A 911 -4.697 -6.254 53.799 1.00 15.42 O ATOM 1989 CB VAL A 911 -2.484 -4.598 55.073 1.00 15.11 C ATOM 1990 CG1 VAL A 911 -3.104 -3.224 54.836 1.00 17.19 C ATOM 1991 CG2 VAL A 911 -1.255 -4.461 55.960 1.00 17.98 C ATOM 0 H VAL A 911 -2.815 -7.274 55.099 1.00 15.85 H new ATOM 0 HA VAL A 911 -3.695 -5.160 56.621 1.00 16.24 H new ATOM 0 HB VAL A 911 -2.227 -4.974 54.217 1.00 15.11 H new ATOM 0 HG11 VAL A 911 -2.452 -2.643 54.412 1.00 17.19 H new ATOM 0 HG12 VAL A 911 -3.879 -3.314 54.260 1.00 17.19 H new ATOM 0 HG13 VAL A 911 -3.375 -2.840 55.685 1.00 17.19 H new ATOM 0 HG21 VAL A 911 -0.614 -3.869 55.536 1.00 17.98 H new ATOM 0 HG22 VAL A 911 -1.515 -4.093 56.819 1.00 17.98 H new ATOM 0 HG23 VAL A 911 -0.851 -5.333 56.091 1.00 17.98 H new ATOM 1992 N LYS A 912 -5.880 -5.169 55.375 1.00 16.10 N ATOM 1993 CA LYS A 912 -7.141 -5.306 54.652 1.00 16.45 C ATOM 1994 C LYS A 912 -7.947 -4.024 54.528 1.00 16.05 C ATOM 1995 O LYS A 912 -7.892 -3.148 55.392 1.00 16.39 O ATOM 1996 CB LYS A 912 -8.008 -6.354 55.349 1.00 17.46 C ATOM 1997 CG LYS A 912 -7.366 -7.726 55.471 1.00 23.33 C ATOM 1998 CD LYS A 912 -8.096 -8.585 56.497 1.00 27.95 C ATOM 1999 CE LYS A 912 -9.547 -8.807 56.124 1.00 30.90 C ATOM 2000 NZ LYS A 912 -9.683 -9.600 54.872 1.00 36.62 N ATOM 0 H LYS A 912 -5.936 -4.741 56.119 1.00 16.10 H new ATOM 0 HA LYS A 912 -6.898 -5.567 53.750 1.00 16.45 H new ATOM 0 HB2 LYS A 912 -8.231 -6.034 56.237 1.00 17.46 H new ATOM 0 HB3 LYS A 912 -8.842 -6.442 54.862 1.00 17.46 H new ATOM 0 HG2 LYS A 912 -7.376 -8.169 54.608 1.00 23.33 H new ATOM 0 HG3 LYS A 912 -6.436 -7.629 55.729 1.00 23.33 H new ATOM 0 HD2 LYS A 912 -7.649 -9.442 56.576 1.00 27.95 H new ATOM 0 HD3 LYS A 912 -8.048 -8.158 57.367 1.00 27.95 H new ATOM 0 HE2 LYS A 912 -10.000 -9.266 56.848 1.00 30.90 H new ATOM 0 HE3 LYS A 912 -9.987 -7.950 56.013 1.00 30.90 H new ATOM 0 HZ1 LYS A 912 -10.326 -10.207 54.973 1.00 36.62 H new ATOM 0 HZ2 LYS A 912 -9.891 -9.057 54.198 1.00 36.62 H new ATOM 0 HZ3 LYS A 912 -8.913 -10.010 54.695 1.00 36.62 H new ATOM 2001 N PRO A 913 -8.719 -3.901 53.440 1.00 16.81 N ATOM 2002 CA PRO A 913 -9.541 -2.709 53.234 1.00 16.77 C ATOM 2003 C PRO A 913 -10.699 -2.673 54.226 1.00 17.10 C ATOM 2004 O PRO A 913 -11.107 -3.707 54.776 1.00 16.70 O ATOM 2005 CB PRO A 913 -10.057 -2.877 51.802 1.00 18.60 C ATOM 2006 CG PRO A 913 -9.038 -3.778 51.153 1.00 20.56 C ATOM 2007 CD PRO A 913 -8.745 -4.768 52.249 1.00 17.82 C ATOM 0 HA PRO A 913 -9.051 -1.882 53.366 1.00 16.77 H new ATOM 0 HB2 PRO A 913 -10.942 -3.273 51.787 1.00 18.60 H new ATOM 0 HB3 PRO A 913 -10.120 -2.024 51.344 1.00 18.60 H new ATOM 0 HG2 PRO A 913 -9.390 -4.210 50.359 1.00 20.56 H new ATOM 0 HG3 PRO A 913 -8.244 -3.291 50.883 1.00 20.56 H new ATOM 0 HD2 PRO A 913 -9.429 -5.453 52.313 1.00 17.82 H new ATOM 0 HD3 PRO A 913 -7.899 -5.223 52.112 1.00 17.82 H new ATOM 2008 N ILE A 914 -11.218 -1.475 54.456 1.00 16.27 N ATOM 2009 CA ILE A 914 -12.362 -1.300 55.330 1.00 18.46 C ATOM 2010 C ILE A 914 -13.527 -1.064 54.379 1.00 18.18 C ATOM 2011 O ILE A 914 -13.610 -0.014 53.734 1.00 17.93 O ATOM 2012 CB ILE A 914 -12.211 -0.072 56.244 1.00 19.23 C ATOM 2013 CG1 ILE A 914 -10.962 -0.213 57.116 1.00 20.70 C ATOM 2014 CG2 ILE A 914 -13.450 0.064 57.121 1.00 21.59 C ATOM 2015 CD1 ILE A 914 -10.651 1.024 57.943 1.00 21.45 C ATOM 0 H ILE A 914 -10.918 -0.746 54.111 1.00 16.27 H new ATOM 0 HA ILE A 914 -12.474 -2.067 55.913 1.00 18.46 H new ATOM 0 HB ILE A 914 -12.117 0.723 55.697 1.00 19.23 H new ATOM 0 HG12 ILE A 914 -11.077 -0.970 57.712 1.00 20.70 H new ATOM 0 HG13 ILE A 914 -10.201 -0.412 56.548 1.00 20.70 H new ATOM 0 HG21 ILE A 914 -13.355 0.838 57.698 1.00 21.59 H new ATOM 0 HG22 ILE A 914 -14.234 0.173 56.560 1.00 21.59 H new ATOM 0 HG23 ILE A 914 -13.551 -0.733 57.665 1.00 21.59 H new ATOM 0 HD11 ILE A 914 -9.852 0.869 58.470 1.00 21.45 H new ATOM 0 HD12 ILE A 914 -10.507 1.780 57.353 1.00 21.45 H new ATOM 0 HD13 ILE A 914 -11.396 1.214 58.535 1.00 21.45 H new ATOM 2016 N TYR A 915 -14.410 -2.050 54.271 1.00 17.17 N ATOM 2017 CA TYR A 915 -15.558 -1.939 53.388 1.00 18.06 C ATOM 2018 C TYR A 915 -16.756 -1.388 54.143 1.00 18.29 C ATOM 2019 O TYR A 915 -16.866 -1.556 55.359 1.00 18.86 O ATOM 2020 CB TYR A 915 -15.936 -3.306 52.805 1.00 20.30 C ATOM 2021 CG TYR A 915 -14.976 -3.851 51.773 1.00 22.01 C ATOM 2022 CD1 TYR A 915 -13.941 -4.715 52.134 1.00 23.64 C ATOM 2023 CD2 TYR A 915 -15.108 -3.506 50.428 1.00 23.55 C ATOM 2024 CE1 TYR A 915 -13.061 -5.222 51.174 1.00 24.63 C ATOM 2025 CE2 TYR A 915 -14.237 -4.004 49.467 1.00 23.93 C ATOM 2026 CZ TYR A 915 -13.219 -4.860 49.845 1.00 25.22 C ATOM 2027 OH TYR A 915 -12.361 -5.349 48.887 1.00 30.34 O ATOM 0 H TYR A 915 -14.360 -2.792 54.702 1.00 17.17 H new ATOM 0 HA TYR A 915 -15.315 -1.337 52.667 1.00 18.06 H new ATOM 0 HB2 TYR A 915 -16.004 -3.944 53.532 1.00 20.30 H new ATOM 0 HB3 TYR A 915 -16.816 -3.238 52.404 1.00 20.30 H new ATOM 0 HD1 TYR A 915 -13.835 -4.957 53.026 1.00 23.64 H new ATOM 0 HD2 TYR A 915 -15.792 -2.932 50.170 1.00 23.55 H new ATOM 0 HE1 TYR A 915 -12.375 -5.798 51.425 1.00 24.63 H new ATOM 0 HE2 TYR A 915 -14.338 -3.763 48.574 1.00 23.93 H new ATOM 0 HH TYR A 915 -12.579 -5.046 48.134 1.00 30.34 H new ATOM 2028 N PHE A 916 -17.647 -0.718 53.424 1.00 16.91 N ATOM 2029 CA PHE A 916 -18.850 -0.190 54.049 1.00 16.95 C ATOM 2030 C PHE A 916 -19.925 -1.262 53.984 1.00 17.46 C ATOM 2031 O PHE A 916 -20.670 -1.464 54.940 1.00 17.28 O ATOM 2032 CB PHE A 916 -19.346 1.064 53.325 1.00 16.51 C ATOM 2033 CG PHE A 916 -18.530 2.286 53.608 1.00 19.98 C ATOM 2034 CD1 PHE A 916 -17.490 2.658 52.761 1.00 19.25 C ATOM 2035 CD2 PHE A 916 -18.786 3.058 54.738 1.00 20.42 C ATOM 2036 CE1 PHE A 916 -16.717 3.783 53.036 1.00 22.71 C ATOM 2037 CE2 PHE A 916 -18.019 4.183 55.022 1.00 23.26 C ATOM 2038 CZ PHE A 916 -16.982 4.545 54.169 1.00 23.05 C ATOM 0 H PHE A 916 -17.575 -0.560 52.582 1.00 16.91 H new ATOM 0 HA PHE A 916 -18.651 0.052 54.967 1.00 16.95 H new ATOM 0 HB2 PHE A 916 -19.344 0.898 52.369 1.00 16.51 H new ATOM 0 HB3 PHE A 916 -20.266 1.233 53.581 1.00 16.51 H new ATOM 0 HD1 PHE A 916 -17.310 2.150 52.003 1.00 19.25 H new ATOM 0 HD2 PHE A 916 -19.479 2.818 55.310 1.00 20.42 H new ATOM 0 HE1 PHE A 916 -16.025 4.024 52.463 1.00 22.71 H new ATOM 0 HE2 PHE A 916 -18.199 4.691 55.780 1.00 23.26 H new ATOM 0 HZ PHE A 916 -16.466 5.296 54.356 1.00 23.05 H new ATOM 2039 N HIS A 917 -19.979 -1.957 52.853 1.00 17.45 N ATOM 2040 CA HIS A 917 -20.974 -2.996 52.626 1.00 20.03 C ATOM 2041 C HIS A 917 -20.345 -4.379 52.700 1.00 24.07 C ATOM 2042 O HIS A 917 -19.132 -4.507 52.860 1.00 29.13 O ATOM 2043 CB HIS A 917 -21.627 -2.777 51.259 1.00 19.42 C ATOM 2044 CG HIS A 917 -22.254 -1.427 51.108 1.00 17.85 C ATOM 2045 ND1 HIS A 917 -23.531 -1.147 51.544 1.00 18.22 N ATOM 2046 CD2 HIS A 917 -21.758 -0.263 50.626 1.00 18.38 C ATOM 2047 CE1 HIS A 917 -23.796 0.131 51.337 1.00 18.13 C ATOM 2048 NE2 HIS A 917 -22.735 0.691 50.782 1.00 17.45 N ATOM 0 H HIS A 917 -19.438 -1.838 52.195 1.00 17.45 H new ATOM 0 HA HIS A 917 -21.650 -2.943 53.320 1.00 20.03 H new ATOM 0 HB2 HIS A 917 -20.958 -2.895 50.566 1.00 19.42 H new ATOM 0 HB3 HIS A 917 -22.304 -3.458 51.119 1.00 19.42 H new ATOM 0 HD1 HIS A 917 -24.072 -1.716 51.896 1.00 18.22 H new ATOM 0 HD2 HIS A 917 -20.914 -0.133 50.258 1.00 18.38 H new ATOM 0 HE1 HIS A 917 -24.593 0.563 51.546 1.00 18.13 H new ATOM 2049 N THR A 918 -21.169 -5.413 52.583 1.00 24.98 N ATOM 2050 CA THR A 918 -20.673 -6.781 52.651 1.00 29.37 C ATOM 2051 C THR A 918 -21.041 -7.547 51.386 1.00 32.04 C ATOM 2052 O THR A 918 -21.177 -6.957 50.314 1.00 33.65 O ATOM 2053 CB THR A 918 -21.262 -7.522 53.870 1.00 31.17 C ATOM 2054 OG1 THR A 918 -21.170 -6.684 55.028 1.00 27.43 O ATOM 2055 CG2 THR A 918 -20.493 -8.812 54.127 1.00 29.42 C ATOM 0 H THR A 918 -22.018 -5.344 52.464 1.00 24.98 H new ATOM 0 HA THR A 918 -19.708 -6.737 52.738 1.00 29.37 H new ATOM 0 HB THR A 918 -22.190 -7.735 53.687 1.00 31.17 H new ATOM 0 HG1 THR A 918 -20.364 -6.498 55.176 1.00 27.43 H new ATOM 0 HG21 THR A 918 -20.872 -9.268 54.895 1.00 29.42 H new ATOM 0 HG22 THR A 918 -20.554 -9.386 53.348 1.00 29.42 H new ATOM 0 HG23 THR A 918 -19.562 -8.604 54.303 1.00 29.42 H new TER 2056 THR A 918 HETATM 2057 C1 DHT A 300 0.036 5.373 38.309 1.00 12.56 C HETATM 2058 C2 DHT A 300 -0.754 6.618 38.734 1.00 12.69 C HETATM 2059 C3 DHT A 300 -2.167 6.476 38.103 1.00 13.09 C HETATM 2060 O3 DHT A 300 -2.606 7.401 37.440 1.00 13.50 O HETATM 2061 C4 DHT A 300 -2.904 5.190 38.321 1.00 12.56 C HETATM 2062 C5 DHT A 300 -2.061 3.978 37.839 1.00 12.12 C HETATM 2063 C6 DHT A 300 -2.792 2.610 38.050 1.00 10.61 C HETATM 2064 C7 DHT A 300 -1.908 1.465 37.520 1.00 10.12 C HETATM 2065 C8 DHT A 300 -0.512 1.408 38.230 1.00 11.16 C HETATM 2066 C9 DHT A 300 0.207 2.792 38.046 1.00 12.54 C HETATM 2067 C10 DHT A 300 -0.645 4.002 38.590 1.00 11.39 C HETATM 2068 C11 DHT A 300 1.614 2.707 38.727 1.00 13.61 C HETATM 2069 C12 DHT A 300 2.515 1.558 38.283 1.00 12.37 C HETATM 2070 C13 DHT A 300 1.802 0.186 38.327 1.00 11.51 C HETATM 2071 C14 DHT A 300 0.394 0.303 37.647 1.00 12.68 C HETATM 2072 C15 DHT A 300 -0.109 -1.148 37.719 1.00 12.36 C HETATM 2073 C16 DHT A 300 1.156 -1.942 37.296 1.00 12.23 C HETATM 2074 C17 DHT A 300 2.334 -0.938 37.461 1.00 12.50 C HETATM 2075 O17 DHT A 300 3.466 -1.616 38.034 1.00 14.72 O HETATM 2076 C18 DHT A 300 1.685 -0.271 39.838 1.00 12.63 C HETATM 2077 C19 DHT A 300 -0.850 3.830 40.157 1.00 11.84 C HETATM 0 H193 DHT A 300 0.011 3.862 40.602 1.00 11.84 H new HETATM 0 H192 DHT A 300 -1.412 4.546 40.491 1.00 11.84 H new HETATM 0 H191 DHT A 300 -1.274 2.976 40.336 1.00 11.84 H new HETATM 0 H183 DHT A 300 2.572 -0.347 40.223 1.00 12.63 H new HETATM 0 H182 DHT A 300 1.172 0.385 40.336 1.00 12.63 H new HETATM 0 H181 DHT A 300 1.239 -1.131 39.882 1.00 12.63 H new HETATM 0 H162 DHT A 300 1.282 -2.726 37.853 1.00 12.23 H new HETATM 0 H161 DHT A 300 1.085 -2.254 36.380 1.00 12.23 H new HETATM 0 H152 DHT A 300 -0.407 -1.386 38.611 1.00 12.36 H new HETATM 0 H151 DHT A 300 -0.855 -1.305 37.119 1.00 12.36 H new HETATM 0 H122 DHT A 300 2.827 1.727 37.380 1.00 12.37 H new HETATM 0 H121 DHT A 300 3.299 1.529 38.853 1.00 12.37 H new HETATM 0 H112 DHT A 300 2.082 3.541 38.563 1.00 13.61 H new HETATM 0 H111 DHT A 300 1.484 2.638 39.686 1.00 13.61 H new HETATM 0 HO7 DHT A 300 4.150 -1.134 37.957 1.00 14.72 H new HETATM 0 H9 DHT A 300 0.312 2.970 37.098 1.00 12.54 H new HETATM 0 H8 DHT A 300 -0.664 1.209 39.167 1.00 11.16 H new HETATM 0 H72 DHT A 300 -2.367 0.620 37.647 1.00 10.12 H new HETATM 0 H71 DHT A 300 -1.778 1.576 36.565 1.00 10.12 H new HETATM 0 H62 DHT A 300 -2.981 2.476 38.992 1.00 10.61 H new HETATM 0 H61 DHT A 300 -3.645 2.614 37.587 1.00 10.61 H new HETATM 0 H5 DHT A 300 -1.928 4.060 36.882 1.00 12.12 H new HETATM 0 H42 DHT A 300 -3.113 5.089 39.263 1.00 12.56 H new HETATM 0 H41 DHT A 300 -3.748 5.212 37.843 1.00 12.56 H new HETATM 0 H22 DHT A 300 -0.811 6.678 39.700 1.00 12.69 H new HETATM 0 H21 DHT A 300 -0.317 7.427 38.425 1.00 12.69 H new HETATM 0 H17 DHT A 300 2.647 -0.573 36.619 1.00 12.50 H new HETATM 0 H14 DHT A 300 0.411 0.625 36.732 1.00 12.68 H new HETATM 0 H12 DHT A 300 0.216 5.435 37.358 1.00 12.56 H new HETATM 0 H11 DHT A 300 0.894 5.386 38.762 1.00 12.56 H new HETATM 2078 O HOH A 1 -0.846 12.190 36.207 1.00 13.04 O HETATM 2079 O HOH A 2 -7.682 17.339 47.861 1.00 13.39 O HETATM 2080 O HOH A 3 -9.083 14.763 48.221 1.00 15.60 O HETATM 2081 O HOH A 4 -0.233 9.324 25.541 1.00 15.91 O HETATM 2082 O HOH A 5 -3.648 9.334 40.038 1.00 13.83 O HETATM 2083 O HOH A 6 -2.612 21.989 55.239 1.00 16.78 O HETATM 2084 O HOH A 7 9.252 4.099 29.068 1.00 17.83 O HETATM 2085 O HOH A 8 6.327 12.794 27.797 1.00 19.21 O HETATM 2086 O HOH A 9 -4.483 0.745 47.787 1.00 16.49 O HETATM 2087 O HOH A 10 2.291 -9.136 36.188 1.00 22.34 O HETATM 2088 O HOH A 11 -14.351 0.564 51.093 1.00 22.71 O HETATM 2089 O HOH A 12 -5.339 19.791 61.196 1.00 21.13 O HETATM 2090 O HOH A 13 -5.821 3.584 55.475 1.00 21.60 O HETATM 2091 O HOH A 14 -2.007 14.596 36.629 1.00 17.62 O HETATM 2092 O HOH A 15 -4.707 12.664 46.297 1.00 22.05 O HETATM 2093 O HOH A 16 -20.269 8.402 32.175 1.00 22.68 O HETATM 2094 O HOH A 17 -21.270 21.051 44.956 1.00 18.43 O HETATM 2095 O HOH A 18 9.083 6.000 26.964 1.00 16.55 O HETATM 2096 O HOH A 19 -2.362 7.011 64.503 1.00 20.15 O HETATM 2097 O HOH A 20 -2.329 14.783 39.434 1.00 22.01 O HETATM 2098 O HOH A 21 4.903 12.874 25.314 1.00 20.55 O HETATM 2099 O HOH A 22 -7.800 -3.050 47.963 1.00 19.06 O HETATM 2100 O HOH A 23 -17.789 18.835 54.603 1.00 27.01 O HETATM 2101 O HOH A 24 -19.910 14.106 37.591 1.00 19.96 O HETATM 2102 O HOH A 25 10.842 10.209 27.080 1.00 18.99 O HETATM 2103 O HOH A 26 -30.498 13.603 36.984 1.00 23.00 O HETATM 2104 O HOH A 27 -16.481 22.612 54.119 1.00 20.20 O HETATM 2105 O HOH A 28 -14.330 -4.409 55.894 1.00 24.13 O HETATM 2106 O HOH A 29 -6.730 -8.907 30.896 1.00 30.07 O HETATM 2107 O HOH A 30 2.898 18.548 52.960 1.00 22.02 O HETATM 2108 O HOH A 31 -10.010 3.036 22.790 1.00 23.63 O HETATM 2109 O HOH A 32 5.406 15.999 36.128 1.00 22.64 O HETATM 2110 O HOH A 33 1.853 1.493 61.784 1.00 30.67 O HETATM 2111 O HOH A 34 -6.019 -7.644 51.989 1.00 23.59 O HETATM 2112 O HOH A 35 -21.506 18.234 46.315 1.00 27.82 O HETATM 2113 O HOH A 36 -2.091 18.024 58.112 1.00 23.21 O HETATM 2114 O HOH A 37 -26.087 13.449 54.829 1.00 21.04 O HETATM 2115 O HOH A 38 -24.703 15.151 44.767 1.00 19.71 O HETATM 2116 O HOH A 39 8.070 4.723 24.551 1.00 20.35 O HETATM 2117 O HOH A 40 -22.996 13.444 34.746 1.00 24.91 O HETATM 2118 O HOH A 41 8.459 7.556 31.697 1.00 23.46 O HETATM 2119 O HOH A 42 -1.563 -7.104 60.542 1.00 22.97 O HETATM 2120 O HOH A 43 -19.999 -2.781 48.234 1.00 23.20 O HETATM 2121 O HOH A 44 -9.800 26.469 48.257 1.00 20.00 O HETATM 2122 O HOH A 45 -25.143 14.716 42.130 1.00 21.69 O HETATM 2123 O HOH A 46 6.075 -12.999 38.982 1.00 20.11 O HETATM 2124 O HOH A 47 0.966 -12.355 45.665 1.00 20.34 O HETATM 2125 O HOH A 48 -19.445 -1.714 45.670 1.00 20.33 O HETATM 2126 O HOH A 49 5.905 -5.321 23.746 1.00 32.33 O HETATM 2127 O HOH A 50 -16.471 1.155 39.986 1.00 27.37 O HETATM 2128 O HOH A 51 -5.845 -4.648 47.929 1.00 22.76 O HETATM 2129 O HOH A 52 -16.081 23.152 57.036 1.00 24.63 O HETATM 2130 O HOH A 53 -25.522 16.801 39.407 1.00 25.13 O HETATM 2131 O HOH A 54 -22.714 3.475 43.388 1.00 23.46 O HETATM 2132 O HOH A 55 9.050 -6.978 27.668 1.00 27.40 O HETATM 2133 O HOH A 56 -7.012 -6.759 49.514 1.00 28.78 O HETATM 2134 O HOH A 57 8.146 -5.083 25.733 1.00 22.04 O HETATM 2135 O HOH A 58 10.294 3.214 35.546 1.00 24.78 O HETATM 2136 O HOH A 59 1.073 17.496 45.991 1.00 38.04 O HETATM 2137 O HOH A 60 -6.922 3.529 48.837 1.00 20.89 O HETATM 2138 O HOH A 61 -4.454 -8.235 29.491 1.00 23.92 O HETATM 2139 O HOH A 62 4.710 4.800 22.779 1.00 24.23 O HETATM 2140 O HOH A 63 -27.189 12.969 41.922 1.00 27.69 O HETATM 2141 O HOH A 64 -13.555 2.715 54.072 1.00 25.63 O HETATM 2142 O HOH A 65 12.772 7.536 24.060 1.00 28.05 O HETATM 2143 O HOH A 66 -8.181 -6.706 63.859 1.00 26.02 O HETATM 2144 O HOH A 67 -22.835 16.629 39.223 1.00 21.92 O HETATM 2145 O HOH A 68 -25.588 27.906 48.313 1.00 40.89 O HETATM 2146 O HOH A 69 6.738 14.173 41.599 1.00 28.57 O HETATM 2147 O HOH A 70 -7.112 0.912 48.307 1.00 25.54 O HETATM 2148 O HOH A 71 6.793 14.147 49.074 1.00 22.75 O HETATM 2149 O HOH A 72 -4.187 -8.811 38.472 1.00 22.31 O HETATM 2150 O HOH A 73 1.824 -6.957 25.442 1.00 26.66 O HETATM 2151 O HOH A 74 8.269 14.350 32.095 1.00 24.74 O HETATM 2152 O HOH A 75 -0.947 11.908 25.209 1.00 24.85 O HETATM 2153 O HOH A 76 -0.479 19.403 46.862 1.00 24.83 O HETATM 2154 O HOH A 77 -16.877 14.841 31.423 1.00 27.21 O HETATM 2155 O HOH A 78 -5.680 14.339 39.360 1.00 30.61 O HETATM 2156 O HOH A 79 -25.375 10.843 54.676 1.00 26.58 O HETATM 2157 O HOH A 80 -14.006 22.646 45.128 1.00 25.16 O HETATM 2158 O HOH A 81 10.918 10.222 39.708 1.00 33.16 O HETATM 2159 O HOH A 82 -24.044 -5.364 52.373 1.00 38.25 O HETATM 2160 O HOH A 83 -3.153 -13.377 57.139 1.00 41.57 O HETATM 2161 O HOH A 84 12.600 10.742 35.858 1.00 41.41 O HETATM 2162 O HOH A 85 -11.840 3.495 68.298 1.00 23.64 O HETATM 2163 O HOH A 86 3.964 10.186 66.556 1.00 32.66 O HETATM 2164 O HOH A 87 6.777 15.286 51.666 1.00 30.42 O HETATM 2165 O HOH A 88 -25.327 -2.919 52.570 1.00 35.52 O HETATM 2166 O HOH A 89 -13.549 4.284 51.700 1.00 33.27 O HETATM 2167 O HOH A 90 0.060 -10.984 37.289 1.00 34.73 O HETATM 2168 O HOH A 91 -3.549 -8.153 26.759 1.00 27.73 O HETATM 2169 O HOH A 92 -3.072 1.088 68.574 1.00 33.03 O HETATM 2170 O HOH A 93 -9.831 -8.069 43.618 1.00 21.49 O HETATM 2171 O HOH A 94 4.372 -0.148 57.808 1.00 44.98 O HETATM 2172 O HOH A 95 13.801 -2.161 38.084 1.00 26.48 O HETATM 2173 O HOH A 96 -2.699 10.939 42.495 1.00 30.42 O HETATM 2174 O HOH A 97 12.936 7.671 38.652 1.00 27.03 O HETATM 2175 O HOH A 98 -12.856 2.363 49.921 1.00 20.68 O HETATM 2176 O HOH A 99 11.306 10.705 30.643 1.00 29.00 O HETATM 2177 O HOH A 100 -14.748 18.748 32.471 1.00 33.40 O HETATM 2178 O HOH A 101 -33.887 16.244 48.815 1.00 41.33 O HETATM 2179 O HOH A 102 -15.462 -0.678 38.076 1.00 29.69 O HETATM 2180 O HOH A 103 16.116 -0.537 36.783 1.00 50.36 O HETATM 2181 O HOH A 104 -4.061 17.475 32.665 1.00 26.86 O HETATM 2182 O HOH A 105 -15.916 16.450 60.884 1.00 28.18 O HETATM 2183 O HOH A 106 -0.534 21.851 37.341 1.00 35.40 O HETATM 2184 O HOH A 107 -26.889 10.391 35.458 1.00 29.27 O HETATM 2185 O HOH A 108 2.522 -14.572 42.213 1.00 35.15 O HETATM 2186 O HOH A 109 -9.695 16.894 36.857 1.00 31.00 O HETATM 2187 O HOH A 110 -17.416 25.404 57.623 1.00 41.44 O HETATM 2188 O HOH A 111 -4.681 16.945 27.922 1.00 39.24 O HETATM 2189 O HOH A 112 -28.606 12.548 44.161 1.00 36.07 O HETATM 2190 O HOH A 113 14.701 5.383 41.497 1.00 27.88 O HETATM 2191 O HOH A 114 -6.767 -2.737 62.678 1.00 34.77 O HETATM 2192 O HOH A 115 -28.750 14.268 40.233 1.00 33.52 O HETATM 2193 O HOH A 116 -18.645 16.882 38.157 1.00 36.69 O HETATM 2194 O HOH A 117 -11.538 2.778 61.754 1.00 42.50 O HETATM 2195 O HOH A 118 -13.410 4.966 61.768 1.00 29.59 O HETATM 2196 O HOH A 119 -14.825 -2.939 41.434 1.00 32.72 O HETATM 2197 O HOH A 120 -25.833 18.601 48.811 1.00 36.38 O HETATM 2198 O HOH A 121 6.921 11.437 15.909 1.00 32.29 O HETATM 2199 O HOH A 122 -10.536 3.607 25.334 1.00 30.28 O HETATM 2200 O HOH A 123 12.031 5.114 36.017 1.00 32.16 O HETATM 2201 O HOH A 124 -30.080 10.249 56.252 1.00 44.54 O HETATM 2202 O HOH A 125 -10.318 0.079 65.438 1.00 41.13 O HETATM 2203 O HOH A 126 -30.177 11.394 46.806 1.00 40.58 O HETATM 2204 O HOH A 127 -23.695 15.691 47.756 1.00 29.09 O HETATM 2205 O HOH A 128 -1.272 3.662 20.497 1.00 33.55 O HETATM 2206 O HOH A 129 -14.144 30.845 52.554 1.00 32.10 O HETATM 2207 O HOH A 130 7.061 8.501 15.634 1.00 36.59 O HETATM 2208 O HOH A 131 -21.963 9.515 60.164 1.00 31.09 O HETATM 2209 O HOH A 132 -3.702 5.930 23.465 1.00 28.36 O HETATM 2210 O HOH A 133 2.392 1.711 18.628 1.00 35.57 O HETATM 2211 O HOH A 134 6.137 -9.948 59.289 1.00 43.83 O HETATM 2212 O HOH A 135 -15.334 0.338 30.796 1.00 38.15 O HETATM 2213 O HOH A 136 -18.260 8.556 27.988 1.00 36.86 O HETATM 2214 O HOH A 137 3.794 -10.263 31.488 1.00 44.22 O HETATM 2215 O HOH A 138 -4.525 -11.566 44.541 1.00 37.75 O HETATM 2216 O HOH A 139 7.609 -9.538 27.650 1.00 40.21 O HETATM 2217 O HOH A 140 11.937 9.103 20.086 1.00 35.81 O HETATM 2218 O HOH A 141 -11.347 -6.553 54.136 1.00 34.90 O HETATM 2219 O HOH A 142 10.589 13.028 32.032 1.00 27.04 O HETATM 2220 O HOH A 143 -3.202 -10.735 29.933 1.00 46.60 O HETATM 2221 O HOH A 144 1.218 -0.711 59.951 1.00 35.56 O HETATM 2222 O HOH A 145 1.708 12.772 65.615 1.00 43.36 O HETATM 2223 O HOH A 146 -10.144 -7.754 35.898 1.00 35.03 O HETATM 2224 O HOH A 147 -1.431 -6.912 67.418 1.00 39.64 O HETATM 2225 O HOH A 148 2.288 19.610 39.493 1.00 42.15 O HETATM 2226 O HOH A 149 -11.664 18.591 39.778 1.00 38.62 O HETATM 2227 O HOH A 150 -17.900 9.493 31.233 1.00 32.76 O HETATM 2228 O HOH A 151 8.174 11.773 49.188 1.00 32.07 O HETATM 2229 O HOH A 152 -3.741 15.936 34.854 1.00 26.12 O HETATM 2230 O HOH A 153 -12.657 21.081 42.919 1.00 34.05 O HETATM 2231 O HOH A 154 -12.588 18.540 42.534 1.00 26.22 O HETATM 2232 O HOH A 155 -8.286 17.295 40.902 1.00 40.15 O HETATM 2233 O HOH A 156 -4.203 13.103 43.415 1.00 31.62 O HETATM 2234 O HOH A 157 -4.364 10.518 44.523 1.00 27.29 O HETATM 2235 O HOH A 158 2.619 14.222 24.983 1.00 29.12 O HETATM 2236 O HOH A 159 -6.084 12.957 25.242 1.00 46.08 O HETATM 2237 O HOH A 160 -3.086 14.856 26.330 1.00 33.50 O HETATM 2238 O HOH A 161 10.165 5.364 31.261 1.00 41.43 O HETATM 2239 O HOH A 162 11.364 2.504 28.591 1.00 37.63 O HETATM 2240 O HOH A 163 6.075 2.770 24.017 1.00 32.78 O HETATM 2241 O HOH A 164 10.524 -0.859 24.537 1.00 42.92 O HETATM 2242 O HOH A 165 7.239 14.851 29.425 1.00 17.98 O HETATM 2243 O HOH A 166 1.577 15.923 26.732 1.00 30.20 O HETATM 2244 O HOH A 167 -21.871 15.339 36.387 1.00 31.21 O HETATM 2245 O HOH A 168 -1.511 0.731 47.741 1.00 23.29 O HETATM 2246 O HOH A 169 -2.417 -10.450 37.715 1.00 33.26 O HETATM 2247 O HOH A 170 -17.222 -3.576 45.527 1.00 29.13 O HETATM 2248 O HOH A 171 -18.193 -5.868 55.659 1.00 34.05 O HETATM 2249 O HOH A 172 -8.096 18.213 64.342 1.00 33.33 O HETATM 2250 O HOH A 173 -8.125 15.673 38.601 1.00 30.97 O HETATM 2251 O HOH A 174 -22.220 10.228 31.969 1.00 29.01 O HETATM 2252 O HOH A 175 -26.191 11.338 33.097 1.00 46.87 O HETATM 2253 O HOH A 176 -24.827 9.352 32.169 1.00 35.79 O HETATM 2254 O HOH A 177 -7.311 11.800 65.436 1.00 33.07 O HETATM 2255 O HOH A 178 -0.819 16.689 25.998 1.00 35.24 O HETATM 2256 O HOH A 179 -10.994 -8.131 46.012 1.00 34.84 O HETATM 2257 O HOH A 180 -12.026 -8.580 41.938 1.00 38.46 O HETATM 2258 O HOH A 181 -10.435 -8.162 52.165 1.00 38.68 O HETATM 2259 O HOH A 182 -17.496 21.179 57.916 1.00 31.84 O HETATM 2260 O HOH A 183 -19.038 21.163 54.042 1.00 32.27 O HETATM 2261 O HOH A 184 7.492 16.373 34.017 1.00 32.80 O HETATM 2262 O HOH A 185 -18.525 18.358 30.842 1.00 44.12 O HETATM 2263 O HOH A 186 -21.481 18.054 30.031 1.00 32.31 O HETATM 2264 O HOH A 187 13.528 10.654 27.652 1.00 36.32 O HETATM 2265 O HOH A 188 -31.089 13.412 39.609 1.00 45.29 O HETATM 2266 O HOH A 189 -27.508 10.073 41.096 1.00 29.81 O HETATM 2267 O HOH A 190 -13.680 1.682 61.004 1.00 44.31 O HETATM 2268 O HOH A 191 1.793 19.909 56.388 1.00 46.60 O HETATM 2269 O HOH A 192 9.263 13.828 41.612 1.00 42.55 O HETATM 2270 O HOH A 193 9.621 11.326 41.840 1.00 29.52 O HETATM 2271 O HOH A 194 -7.852 -9.669 52.236 1.00 36.53 O HETATM 2272 O HOH A 195 -13.977 25.524 48.811 1.00 41.71 O HETATM 2273 O HOH A 196 -29.213 9.970 44.793 1.00 33.08 O HETATM 2274 O HOH A 197 14.119 3.806 37.151 1.00 41.38 O HETATM 2275 O HOH A 198 -0.638 -9.895 61.241 1.00 43.95 O HETATM 2276 O HOH A 199 -16.895 -4.432 42.846 1.00 36.04 O HETATM 2277 O HOH A 200 7.055 -6.980 58.405 1.00 34.13 O HETATM 2278 O HOH A 201 -20.997 -1.718 43.331 1.00 45.61 O HETATM 2279 O HOH A 202 -20.504 1.372 42.560 1.00 30.40 O HETATM 2280 O HOH A 203 -5.321 2.828 70.031 1.00 37.20 O HETATM 2281 O HOH A 204 -16.616 -3.034 36.794 1.00 34.27 O HETATM 2282 O HOH A 205 -23.593 27.970 51.734 1.00 50.15 O HETATM 2283 O HOH A 206 8.349 8.683 45.247 1.00 23.70 O HETATM 2284 O HOH A 207 -7.906 -9.949 43.186 1.00 37.00 O HETATM 2285 O HOH A 208 -1.842 -4.285 22.012 1.00 31.01 O HETATM 2286 O HOH A 209 18.127 3.703 35.640 1.00 54.02 O CONECT 2057 2058 2067 CONECT 2058 2057 2059 CONECT 2059 2058 2060 2061 CONECT 2060 2059 CONECT 2061 2059 2062 CONECT 2062 2061 2063 2067 CONECT 2063 2062 2064 CONECT 2064 2063 2065 CONECT 2065 2064 2066 2071 CONECT 2066 2065 2067 2068 CONECT 2067 2057 2062 2066 2077 CONECT 2068 2066 2069 CONECT 2069 2068 2070 CONECT 2070 2069 2071 2074 2076 CONECT 2071 2065 2070 2072 CONECT 2072 2071 2073 CONECT 2073 2072 2074 CONECT 2074 2070 2073 2075 CONECT 2075 2074 CONECT 2076 2070 CONECT 2077 2067 END