USER MOD reduce.3.24.130724 H: found=0, std=0, add=2171, rem=0, adj=60 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HORMONE/GROWTH FACTOR RECEPTOR 08-MAY-04 1T79 TITLE CRYSTAL STRUCTURE OF THE ANDROGEN RECEPTOR LIGAND BINDING TITLE 2 DOMAIN IN COMPLEX WITH A FXXLW MOTIF COMPND MOL_ID: 1; COMPND 2 MOLECULE: ANDROGEN RECEPTOR; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: LIGAND BINDING DOMAIN; COMPND 5 SYNONYM: DIHYDROTESTOSTERONE RECEPTOR; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: FXXLW MOTIF PEPTIDE; COMPND 9 CHAIN: B; COMPND 0 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PAN TROGLODYTES; SOURCE 3 ORGANISM_COMMON: CHIMPANZEE; SOURCE 4 ORGANISM_TAXID: 9598; SOURCE 5 GENE: AR, NR3C4; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 MOL_ID: 2; SOURCE 9 SYNTHETIC: YES; SOURCE 0 OTHER_DETAILS: DERIVED FROM PHAGE DISPLAY SELECTIONS KEYWDS NUCLEAR RECEPTOR, TRANSCRIPTION FACTOR, LIGAND BINDING KEYWDS 2 DOMAIN, AF-2, ANDROGEN, TESTOSTERONE, DHT, ALPHA-HELICAL KEYWDS 3 SANDWICH, HORMONE/GROWTH FACTOR RECEPTOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR E.HUR,S.J.PFAFF,E.S.PAYNE,H.GRON,B.M.BUEHRER,R.J.FLETTERICK REVDAT 3 24-FEB-09 1T79 1 VERSN REVDAT 2 28-SEP-04 1T79 1 JRNL REVDAT 1 31-AUG-04 1T79 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. 1.80 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) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1217201.880 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 98.7 REMARK 3 NUMBER OF REFLECTIONS : 23771 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) : 0.200 REMARK 3 FREE R VALUE : 0.234 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.800 REMARK 3 FREE R VALUE TEST SET COUNT : 1152 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.007 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) : 1.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.91 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 93.70 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 3476 REMARK 3 BIN R VALUE (WORKING SET) : 0.2990 REMARK 3 BIN FREE R VALUE : 0.3320 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.10 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 188 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.024 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2114 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 21 REMARK 3 SOLVENT ATOMS : 145 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 22.10 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 28.60 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 14.44000 REMARK 3 B22 (A**2) : -7.91000 REMARK 3 B33 (A**2) : -6.53000 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) : 0.21 REMARK 3 ESD FROM SIGMAA (A) : 0.25 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) : 0.26 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.28 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) : 18.84 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) : 1.250 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.850 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.090 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.190 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.38 REMARK 3 BSOL : 51.57 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 1T79 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 RCSB022400. 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 : 7.4 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ALS REMARK 200 BEAMLINE : 8.3.1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.12713 REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL SI(111) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 23860 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 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 (%) : 99.0 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.08400 REMARK 200 FOR THE DATA SET : 19.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.83 REMARK 200 COMPLETENESS FOR SHELL (%) : 89.6 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.59600 REMARK 200 FOR SHELL : 2.200 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 (%): 34.80 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.90 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: SODIUM CITRATE, TRIS, HEPES, REMARK 280 LITHIUM SULFATE, GLYCEROL, TCEP, N-OCTYL GLUCOSIDE, 5-ALPHA REMARK 280 DIHYDROTESTOSTERONE, PH 7.4, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 27.91300 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 34.19050 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 33.06400 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 34.19050 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 27.91300 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 33.06400 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1590 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 12100 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -10.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY A 651 REMARK 465 SER A 652 REMARK 465 PRO A 653 REMARK 465 GLY A 654 REMARK 465 ILE A 655 REMARK 465 SER A 656 REMARK 465 GLY A 657 REMARK 465 GLY A 658 REMARK 465 GLY A 659 REMARK 465 GLY A 660 REMARK 465 GLY A 661 REMARK 465 SER A 662 REMARK 465 HIS A 663 REMARK 465 ILE A 664 REMARK 465 GLU A 665 REMARK 465 GLY A 666 REMARK 465 TYR A 667 REMARK 465 GLU A 668 REMARK 465 GLN A 919 REMARK 465 SER B 98 REMARK 465 PRO B 107 REMARK 465 PRO B 108 REMARK 465 LYS B 109 REMARK 465 LEU B 110 REMARK 465 SER B 111 REMARK 465 ARG B 112 REMARK 465 SER B 113 REMARK 465 GLY B 114 REMARK 465 SER B 115 REMARK 465 GLY B 116 REMARK 465 LYS B 117 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DHT A 200 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1T73 RELATED DB: PDB REMARK 900 RELATED ID: 1T74 RELATED DB: PDB REMARK 900 RELATED ID: 1T76 RELATED DB: PDB REMARK 900 RELATED ID: 1T7F RELATED DB: PDB REMARK 900 RELATED ID: 1T7M RELATED DB: PDB REMARK 900 RELATED ID: 1T7R RELATED DB: PDB REMARK 900 RELATED ID: 1T7T RELATED DB: PDB DBREF 1T79 A 662 919 UNP O97775 ANDR_PANTR 654 911 DBREF 1T79 B 98 117 PDB 1T79 1T79 98 117 SEQADV 1T79 GLY A 651 UNP O97775 CLONING ARTIFACT SEQADV 1T79 SER A 652 UNP O97775 CLONING ARTIFACT SEQADV 1T79 PRO A 653 UNP O97775 CLONING ARTIFACT SEQADV 1T79 GLY A 654 UNP O97775 CLONING ARTIFACT SEQADV 1T79 ILE A 655 UNP O97775 CLONING ARTIFACT SEQADV 1T79 SER A 656 UNP O97775 CLONING ARTIFACT SEQADV 1T79 GLY A 657 UNP O97775 CLONING ARTIFACT SEQADV 1T79 GLY A 658 UNP O97775 CLONING ARTIFACT SEQADV 1T79 GLY A 659 UNP O97775 CLONING ARTIFACT SEQADV 1T79 GLY A 660 UNP O97775 CLONING ARTIFACT SEQADV 1T79 GLY A 661 UNP O97775 CLONING ARTIFACT SEQRES 1 A 269 GLY SER PRO GLY ILE SER GLY GLY GLY GLY GLY SER HIS SEQRES 2 A 269 ILE GLU GLY TYR GLU CYS GLN PRO ILE PHE LEU ASN VAL SEQRES 3 A 269 LEU GLU ALA ILE GLU PRO GLY VAL VAL CYS ALA GLY HIS SEQRES 4 A 269 ASP ASN ASN GLN PRO ASP SER PHE ALA ALA LEU LEU SER SEQRES 5 A 269 SER LEU ASN GLU LEU GLY GLU ARG GLN LEU VAL HIS VAL SEQRES 6 A 269 VAL LYS TRP ALA LYS ALA LEU PRO GLY PHE ARG ASN LEU SEQRES 7 A 269 HIS VAL ASP ASP GLN MET ALA VAL ILE GLN TYR SER TRP SEQRES 8 A 269 MET GLY LEU MET VAL PHE ALA MET GLY TRP ARG SER PHE SEQRES 9 A 269 THR ASN VAL ASN SER ARG MET LEU TYR PHE ALA PRO ASP SEQRES 10 A 269 LEU VAL PHE ASN GLU TYR ARG MET HIS LYS SER ARG MET SEQRES 11 A 269 TYR SER GLN CYS VAL ARG MET ARG HIS LEU SER GLN GLU SEQRES 12 A 269 PHE GLY TRP LEU GLN ILE THR PRO GLN GLU PHE LEU CYS SEQRES 13 A 269 MET LYS ALA LEU LEU LEU PHE SER ILE ILE PRO VAL ASP SEQRES 14 A 269 GLY LEU LYS ASN GLN LYS PHE PHE ASP GLU LEU ARG MET SEQRES 15 A 269 ASN TYR ILE LYS GLU LEU ASP ARG ILE ILE ALA CYS LYS SEQRES 16 A 269 ARG LYS ASN PRO THR SER CYS SER ARG ARG PHE TYR GLN SEQRES 17 A 269 LEU THR LYS LEU LEU ASP SER VAL GLN PRO ILE ALA ARG SEQRES 18 A 269 GLU LEU HIS GLN PHE THR PHE ASP LEU LEU ILE LYS SER SEQRES 19 A 269 HIS MET VAL SER VAL ASP PHE PRO GLU MET MET ALA GLU SEQRES 20 A 269 ILE ILE SER VAL GLN VAL PRO LYS ILE LEU SER GLY LYS SEQRES 21 A 269 VAL LYS PRO ILE TYR PHE HIS THR GLN SEQRES 1 B 20 SER SER LYS PHE ALA ALA LEU TRP ASP PRO PRO LYS LEU SEQRES 2 B 20 SER ARG SER GLY SER GLY LYS HET DHT A 200 21 HETNAM DHT 5-ALPHA-DIHYDROTESTOSTERONE FORMUL 3 DHT C19 H30 O2 FORMUL 4 HOH *145(H2 O) HELIX 1 1 PRO A 671 GLU A 681 1 11 HELIX 2 2 SER A 696 ALA A 721 1 26 HELIX 3 3 GLY A 724 LEU A 728 5 5 HELIX 4 4 HIS A 729 ASN A 758 1 30 HELIX 5 5 ASN A 771 SER A 778 1 8 HELIX 6 6 MET A 780 LEU A 797 1 18 HELIX 7 7 THR A 800 LEU A 812 1 13 HELIX 8 8 ASN A 823 CYS A 844 1 22 HELIX 9 9 ASN A 848 SER A 888 1 41 HELIX 10 10 PRO A 892 GLN A 902 1 11 HELIX 11 11 GLN A 902 SER A 908 1 7 HELIX 12 12 PHE B 101 ASP B 106 5 6 SHEET 1 A 2 LEU A 762 ALA A 765 0 SHEET 2 A 2 LEU A 768 PHE A 770 -1 O PHE A 770 N LEU A 762 SHEET 1 B 2 ILE A 815 PRO A 817 0 SHEET 2 B 2 VAL A 911 PRO A 913 -1 O LYS A 912 N ILE A 816 SITE *** AC1 7 LEU A 704 ASN A 705 GLN A 711 MET A 749 SITE *** AC1 7 ARG A 752 PHE A 764 THR A 877 CRYST1 55.826 66.128 68.381 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 0.017913 0.000000 0.000000 0.00000 SCALE2 0.000000 0.015122 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014624 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 99:sc= 1.16 USER MOD Set 1.2: A 917 HIS : no HE2:sc= 0.972 K(o=2.1,f=-2.2!) USER MOD Set 2.1: A 782 SER OG : rot -85:sc= 0 USER MOD Set 2.2: A 783 GLN : amide:sc= 0.636 K(o=0.64,f=-5.8!) USER MOD Set 3.1: A 759 SER OG : rot -79:sc= 2.24 USER MOD Set 3.2: A 791 SER OG : rot 75:sc= 1.28 USER MOD Set 4.1: A 755 THR OG1 : rot -73:sc= 0.0148 USER MOD Set 4.2: A 756 ASN : amide:sc= -1.64! K(o=-1.6!,f=0.22) USER MOD Set 5.1: A 742 MET CE :methyl 172:sc=-0.00171 (180deg=-0.00692) USER MOD Set 5.2: A 874 HIS : no HE2:sc= 2.06 K(o=2.1,f=-3.4!) USER MOD Set 6.1: A 689 HIS : no HE2:sc= 2.49 K(o=7.3,f=-3.5!) USER MOD Set 6.2: A 691 ASN : amide:sc= 3.24 K(o=7.3,f=-0.13!) USER MOD Set 6.3: A 703 SER OG : rot -56:sc= 1.57 USER MOD Set 7.1: A 200 DHT O17 : rot -74:sc= 1.74 USER MOD Set 7.2: A 705 ASN : amide:sc= 1.37 K(o=3.6,f=0.31!) USER MOD Set 7.3: A 877 THR OG1 : rot 89:sc= 0.461 USER MOD Single : A 669 CYS SG : rot 180:sc= 0 USER MOD Single : A 670 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 675 ASN : amide:sc= -2.19! K(o=-2.2!,f=-0.14) USER MOD Single : A 686 CYS SG : rot -131:sc= 0.25 USER MOD Single : A 692 ASN : amide:sc=-0.000502 X(o=-0.0005,f=0) USER MOD Single : A 693 GLN : amide:sc=-0.00488 X(o=-0.0049,f=-0.19) USER MOD Single : A 696 SER OG : rot 180:sc= 0.203 USER MOD Single : A 702 SER OG : rot 85:sc= 0.8 USER MOD Single : A 711 GLN A: amide:sc= -1.08! K(o=-1.1!,f=0.7) USER MOD Single : A 711 GLN B: amide:sc= -2.29! K(o=-2.3!,f=0.36) USER MOD Single : A 714 HIS : no HE2:sc= 0.129 X(o=0.13,f=0.22) USER MOD Single : A 717 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 LYS NZ :NH3+ -150:sc= 0.383 (180deg=-0.243) USER MOD Single : A 727 ASN : amide:sc= -2.29! K(o=-2.3!,f=-0.11) USER MOD Single : A 729 HIS : no HD1:sc= 0.274 K(o=0.27,f=-5.9!) USER MOD Single : A 733 GLN : amide:sc= 0.905 K(o=0.9,f=-2.7!) USER MOD Single : A 734 MET CE :methyl -168:sc= 0 (180deg=-0.175) USER MOD Single : A 738 GLN : amide:sc= -2.42! K(o=-2.4!,f=0.46) USER MOD Single : A 739 TYR OH : rot 180:sc= 0 USER MOD Single : A 740 SER OG A: rot 83:sc= -1.76! USER MOD Single : A 740 SER OG B: rot -59:sc= 0.601 USER MOD Single : A 745 MET CE :methyl -149:sc= -0.371 (180deg=-0.396) USER MOD Single : A 749 MET CE :methyl -134:sc= -0.0623 (180deg=-0.893) USER MOD Single : A 753 SER OG : rot 72:sc= 1.31 USER MOD Single : A 758 ASN : amide:sc= 0.248 K(o=0.25,f=-0.91) USER MOD Single : A 761 MET CE :methyl -119:sc= 0 (180deg=-0.00467) USER MOD Single : A 763 TYR OH : rot 180:sc=-0.00218 USER MOD Single : A 771 ASN : amide:sc= -0.13 K(o=-0.13,f=-5.9!) USER MOD Single : A 773 TYR OH : rot 180:sc= 0 USER MOD Single : A 775 MET CE :methyl -170:sc= 0 (180deg=-0.0855) USER MOD Single : A 776 HIS : no HD1:sc= -0.101 K(o=-0.1,f=-0.63) USER MOD Single : A 777 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 778 SER OG : rot -59:sc= 1.07 USER MOD Single : A 780 MET CE :methyl 169:sc= -0.0204 (180deg=-0.167) USER MOD Single : A 781 TYR OH : rot -168:sc= 1.38 USER MOD Single : A 784 CYS SG : rot 79:sc= 0.00546 USER MOD Single : A 787 MET CE :methyl -156:sc= -0.0386 (180deg=-0.76) USER MOD Single : A 789 HIS : no HD1:sc= -0.0678 K(o=-0.068,f=-0.67) USER MOD Single : A 792 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 798 GLN : amide:sc= 0.925 K(o=0.93,f=1.8) USER MOD Single : A 800 THR OG1 : rot -163:sc= -0.0431 USER MOD Single : A 802 GLN : amide:sc= 0.372 K(o=0.37,f=-2.1) USER MOD Single : A 806 CYS SG : rot 160:sc= 0 USER MOD Single : A 807 MET CE :methyl 151:sc= -2.27 (180deg=-3.57!) USER MOD Single : A 808 LYS NZ :NH3+ 159:sc= 1.87 (180deg=1.23) USER MOD Single : A 814 SER OG : rot 71:sc= 2.25 USER MOD Single : A 822 LYS NZ :NH3+ 162:sc= -0.0144 (180deg=-0.165) USER MOD Single : A 823 ASN : amide:sc= -2.44 K(o=-2.4,f=-4.1) USER MOD Single : A 824 GLN : amide:sc= 0.958 K(o=0.96,f=-2.7!) USER MOD Single : A 825 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 832 MET CE :methyl 133:sc= -1.73 (180deg=-3.89!) USER MOD Single : A 833 ASN : amide:sc= -0.0259 X(o=-0.026,f=-0.38) USER MOD Single : A 834 TYR OH : rot -7:sc= 0.763 USER MOD Single : A 836 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 844 CYS SG : rot 180:sc= -0.859 USER MOD Single : A 845 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 848 ASN : amide:sc= -1.72! C(o=-1.7!,f=-12!) USER MOD Single : A 850 THR OG1 : rot 180:sc= 0 USER MOD Single : A 851 SER OG : rot -31:sc= 1.03 USER MOD Single : A 852 CYS SG : rot 180:sc= -0.251 USER MOD Single : A 853 SER OG : rot 73:sc= 0.244 USER MOD Single : A 857 TYR OH : rot 180:sc= -0.739 USER MOD Single : A 858 GLN : amide:sc= 1.05 K(o=1.1,f=-2!) USER MOD Single : A 861 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 865 SER OG : rot -31:sc= 1.98 USER MOD Single : A 867 GLN : amide:sc= 2.62 K(o=2.6,f=1.3) USER MOD Single : A 875 GLN : amide:sc= -0.0126 X(o=-0.013,f=0.39) USER MOD Single : A 883 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 884 SER OG : rot -85:sc= 0.589 USER MOD Single : A 885 HIS : no HD1:sc= 0.0977 K(o=0.098,f=-2.6!) USER MOD Single : A 886 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 888 SER OG : rot 180:sc= 0 USER MOD Single : A 894 MET CE :methyl -150:sc= -0.0847 (180deg=-0.293) USER MOD Single : A 895 MET CE :methyl -176:sc= -0.0248 (180deg=-0.0505) USER MOD Single : A 900 SER OG : rot -87:sc= 0.687 USER MOD Single : A 902 GLN : amide:sc= -2.56! K(o=-2.6!,f=-0.21) USER MOD Single : A 905 LYS NZ :NH3+ -123:sc= 0.411 (180deg=0.0563) USER MOD Single : A 908 SER OG : rot -82:sc= 0.131 USER MOD Single : A 910 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 912 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 915 TYR OH : rot 180:sc= 0 USER MOD Single : A 918 THR OG1 : rot 180:sc= 0 USER MOD Single : B 99 SER OG : rot 165:sc= 0.711 USER MOD Single : B 100 LYS NZ :NH3+ 174:sc= 0.161 (180deg=0.148) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 669 -21.464 31.519 55.997 1.00 57.68 N ATOM 2 CA CYS A 669 -20.671 30.384 56.558 1.00 57.46 C ATOM 3 C CYS A 669 -19.751 29.794 55.494 1.00 55.08 C ATOM 4 O CYS A 669 -20.216 29.135 54.563 1.00 54.35 O ATOM 5 CB CYS A 669 -21.612 29.290 57.070 1.00 60.20 C ATOM 6 SG CYS A 669 -22.868 29.851 58.247 1.00 67.52 S ATOM 0 HA CYS A 669 -20.133 30.723 57.291 1.00 57.46 H new ATOM 0 HB2 CYS A 669 -22.058 28.884 56.310 1.00 60.20 H new ATOM 0 HB3 CYS A 669 -21.081 28.596 57.491 1.00 60.20 H new ATOM 0 HG CYS A 669 -23.549 28.921 58.580 1.00 67.52 H new ATOM 7 N GLN A 670 -18.448 30.029 55.631 1.00 52.75 N ATOM 8 CA GLN A 670 -17.481 29.501 54.671 1.00 49.80 C ATOM 9 C GLN A 670 -17.132 28.041 54.967 1.00 45.93 C ATOM 10 O GLN A 670 -16.798 27.684 56.098 1.00 46.01 O ATOM 11 CB GLN A 670 -16.211 30.375 54.641 1.00 51.46 C ATOM 12 CG GLN A 670 -15.676 30.818 56.000 1.00 53.69 C ATOM 13 CD GLN A 670 -14.447 31.720 55.881 1.00 55.51 C ATOM 14 OE1 GLN A 670 -13.412 31.311 55.352 1.00 55.23 O ATOM 15 NE2 GLN A 670 -14.562 32.955 56.370 1.00 54.62 N ATOM 0 H GLN A 670 -18.104 30.490 56.270 1.00 52.75 H new ATOM 0 HA GLN A 670 -17.893 29.529 53.793 1.00 49.80 H new ATOM 0 HB2 GLN A 670 -15.512 29.884 54.182 1.00 51.46 H new ATOM 0 HB3 GLN A 670 -16.396 31.167 54.112 1.00 51.46 H new ATOM 0 HG2 GLN A 670 -16.374 31.290 56.481 1.00 53.69 H new ATOM 0 HG3 GLN A 670 -15.449 30.035 56.526 1.00 53.69 H new ATOM 0 HE21 GLN A 670 -15.300 33.207 56.733 1.00 54.62 H new ATOM 0 HE22 GLN A 670 -13.898 33.500 56.323 1.00 54.62 H new ATOM 16 N PRO A 671 -17.223 27.175 53.947 1.00 41.64 N ATOM 17 CA PRO A 671 -16.921 25.748 54.092 1.00 37.83 C ATOM 18 C PRO A 671 -15.423 25.498 54.215 1.00 33.47 C ATOM 19 O PRO A 671 -14.750 25.201 53.227 1.00 30.58 O ATOM 20 CB PRO A 671 -17.517 25.149 52.825 1.00 38.38 C ATOM 21 CG PRO A 671 -17.261 26.214 51.822 1.00 40.03 C ATOM 22 CD PRO A 671 -17.587 27.498 52.555 1.00 41.06 C ATOM 0 HA PRO A 671 -17.287 25.353 54.899 1.00 37.83 H new ATOM 0 HB2 PRO A 671 -17.088 24.313 52.583 1.00 38.38 H new ATOM 0 HB3 PRO A 671 -18.464 24.964 52.923 1.00 38.38 H new ATOM 0 HG2 PRO A 671 -16.339 26.202 51.520 1.00 40.03 H new ATOM 0 HG3 PRO A 671 -17.819 26.103 51.036 1.00 40.03 H new ATOM 0 HD2 PRO A 671 -17.076 28.248 52.213 1.00 41.06 H new ATOM 0 HD3 PRO A 671 -18.525 27.732 52.472 1.00 41.06 H new ATOM 23 N ILE A 672 -14.916 25.622 55.437 1.00 31.36 N ATOM 24 CA ILE A 672 -13.496 25.439 55.718 1.00 29.72 C ATOM 25 C ILE A 672 -12.929 24.130 55.188 1.00 27.89 C ATOM 26 O ILE A 672 -11.947 24.123 54.451 1.00 26.79 O ATOM 27 CB ILE A 672 -13.216 25.499 57.241 1.00 30.73 C ATOM 28 CG1 ILE A 672 -13.628 26.867 57.799 1.00 32.41 C ATOM 29 CG2 ILE A 672 -11.736 25.233 57.515 1.00 30.47 C ATOM 30 CD1 ILE A 672 -12.880 28.042 57.197 1.00 32.48 C ATOM 0 H ILE A 672 -15.388 25.815 56.130 1.00 31.36 H new ATOM 0 HA ILE A 672 -13.056 26.169 55.255 1.00 29.72 H new ATOM 0 HB ILE A 672 -13.740 24.814 57.685 1.00 30.73 H new ATOM 0 HG12 ILE A 672 -14.578 26.992 57.649 1.00 32.41 H new ATOM 0 HG13 ILE A 672 -13.489 26.867 58.759 1.00 32.41 H new ATOM 0 HG21 ILE A 672 -11.571 25.273 58.470 1.00 30.47 H new ATOM 0 HG22 ILE A 672 -11.498 24.353 57.183 1.00 30.47 H new ATOM 0 HG23 ILE A 672 -11.198 25.904 57.066 1.00 30.47 H new ATOM 0 HD11 ILE A 672 -13.195 28.867 57.599 1.00 32.48 H new ATOM 0 HD12 ILE A 672 -11.930 27.942 57.367 1.00 32.48 H new ATOM 0 HD13 ILE A 672 -13.036 28.069 56.240 1.00 32.48 H new ATOM 31 N PHE A 673 -13.545 23.020 55.570 1.00 26.89 N ATOM 32 CA PHE A 673 -13.071 21.710 55.142 1.00 26.46 C ATOM 33 C PHE A 673 -12.907 21.572 53.629 1.00 26.86 C ATOM 34 O PHE A 673 -11.839 21.179 53.151 1.00 24.30 O ATOM 35 CB PHE A 673 -14.004 20.624 55.670 1.00 27.54 C ATOM 36 CG PHE A 673 -13.608 19.241 55.259 1.00 28.56 C ATOM 37 CD1 PHE A 673 -14.282 18.589 54.234 1.00 29.45 C ATOM 38 CD2 PHE A 673 -12.549 18.593 55.885 1.00 28.70 C ATOM 39 CE1 PHE A 673 -13.908 17.312 53.841 1.00 30.10 C ATOM 40 CE2 PHE A 673 -12.168 17.315 55.498 1.00 27.52 C ATOM 41 CZ PHE A 673 -12.848 16.675 54.476 1.00 29.70 C ATOM 0 H PHE A 673 -14.239 23.002 56.077 1.00 26.89 H new ATOM 0 HA PHE A 673 -12.183 21.606 55.517 1.00 26.46 H new ATOM 0 HB2 PHE A 673 -14.027 20.671 56.639 1.00 27.54 H new ATOM 0 HB3 PHE A 673 -14.904 20.801 55.356 1.00 27.54 H new ATOM 0 HD1 PHE A 673 -14.991 19.013 53.807 1.00 29.45 H new ATOM 0 HD2 PHE A 673 -12.090 19.021 56.571 1.00 28.70 H new ATOM 0 HE1 PHE A 673 -14.365 16.883 53.154 1.00 30.10 H new ATOM 0 HE2 PHE A 673 -11.459 16.891 55.924 1.00 27.52 H new ATOM 0 HZ PHE A 673 -12.596 15.819 54.214 1.00 29.70 H new ATOM 42 N LEU A 674 -13.958 21.890 52.877 1.00 25.43 N ATOM 43 CA LEU A 674 -13.894 21.801 51.422 1.00 26.86 C ATOM 44 C LEU A 674 -12.908 22.809 50.853 1.00 26.48 C ATOM 45 O LEU A 674 -12.233 22.530 49.861 1.00 27.05 O ATOM 46 CB LEU A 674 -15.282 22.009 50.809 1.00 28.21 C ATOM 47 CG LEU A 674 -16.122 20.730 50.762 1.00 30.22 C ATOM 48 CD1 LEU A 674 -17.545 21.041 50.298 1.00 31.12 C ATOM 49 CD2 LEU A 674 -15.451 19.734 49.815 1.00 29.03 C ATOM 0 H LEU A 674 -14.713 22.158 53.188 1.00 25.43 H new ATOM 0 HA LEU A 674 -13.582 20.912 51.192 1.00 26.86 H new ATOM 0 HB2 LEU A 674 -15.757 22.682 51.321 1.00 28.21 H new ATOM 0 HB3 LEU A 674 -15.182 22.356 49.909 1.00 28.21 H new ATOM 0 HG LEU A 674 -16.178 20.344 51.650 1.00 30.22 H new ATOM 0 HD11 LEU A 674 -18.064 20.222 50.273 1.00 31.12 H new ATOM 0 HD12 LEU A 674 -17.957 21.666 50.915 1.00 31.12 H new ATOM 0 HD13 LEU A 674 -17.518 21.433 49.411 1.00 31.12 H new ATOM 0 HD21 LEU A 674 -15.976 18.919 49.778 1.00 29.03 H new ATOM 0 HD22 LEU A 674 -15.392 20.121 48.927 1.00 29.03 H new ATOM 0 HD23 LEU A 674 -14.560 19.530 50.138 1.00 29.03 H new ATOM 50 N ASN A 675 -12.828 23.983 51.476 1.00 25.97 N ATOM 51 CA ASN A 675 -11.884 25.006 51.038 1.00 25.80 C ATOM 52 C ASN A 675 -10.495 24.383 51.037 1.00 23.35 C ATOM 53 O ASN A 675 -9.729 24.545 50.090 1.00 22.60 O ATOM 54 CB ASN A 675 -11.861 26.195 52.006 1.00 27.58 C ATOM 55 CG ASN A 675 -12.858 27.274 51.648 1.00 29.41 C ATOM 56 OD1 ASN A 675 -12.935 28.299 52.329 1.00 32.40 O ATOM 57 ND2 ASN A 675 -13.623 27.058 50.585 1.00 25.57 N ATOM 0 H ASN A 675 -13.310 24.206 52.152 1.00 25.97 H new ATOM 0 HA ASN A 675 -12.149 25.322 50.160 1.00 25.80 H new ATOM 0 HB2 ASN A 675 -12.046 25.877 52.904 1.00 27.58 H new ATOM 0 HB3 ASN A 675 -10.970 26.578 52.018 1.00 27.58 H new ATOM 0 HD21 ASN A 675 -14.203 27.646 50.346 1.00 25.57 H new ATOM 0 HD22 ASN A 675 -13.539 26.330 50.136 1.00 25.57 H new ATOM 58 N VAL A 676 -10.177 23.677 52.116 1.00 21.74 N ATOM 59 CA VAL A 676 -8.866 23.043 52.248 1.00 22.61 C ATOM 60 C VAL A 676 -8.626 21.965 51.198 1.00 21.95 C ATOM 61 O VAL A 676 -7.593 21.967 50.529 1.00 21.11 O ATOM 62 CB VAL A 676 -8.683 22.424 53.651 1.00 22.29 C ATOM 63 CG1 VAL A 676 -7.308 21.742 53.756 1.00 21.74 C ATOM 64 CG2 VAL A 676 -8.810 23.507 54.706 1.00 22.52 C ATOM 0 H VAL A 676 -10.704 23.552 52.784 1.00 21.74 H new ATOM 0 HA VAL A 676 -8.216 23.750 52.113 1.00 22.61 H new ATOM 0 HB VAL A 676 -9.371 21.756 53.795 1.00 22.29 H new ATOM 0 HG11 VAL A 676 -7.204 21.357 54.640 1.00 21.74 H new ATOM 0 HG12 VAL A 676 -7.243 21.041 53.089 1.00 21.74 H new ATOM 0 HG13 VAL A 676 -6.609 22.397 53.605 1.00 21.74 H new ATOM 0 HG21 VAL A 676 -8.695 23.116 55.586 1.00 22.52 H new ATOM 0 HG22 VAL A 676 -8.129 24.182 54.561 1.00 22.52 H new ATOM 0 HG23 VAL A 676 -9.688 23.916 54.646 1.00 22.52 H new ATOM 65 N LEU A 677 -9.575 21.047 51.048 1.00 21.43 N ATOM 66 CA LEU A 677 -9.435 19.970 50.069 1.00 20.40 C ATOM 67 C LEU A 677 -9.180 20.487 48.662 1.00 22.78 C ATOM 68 O LEU A 677 -8.353 19.939 47.926 1.00 22.34 O ATOM 69 CB LEU A 677 -10.679 19.083 50.051 1.00 22.37 C ATOM 70 CG LEU A 677 -10.971 18.252 51.298 1.00 21.53 C ATOM 71 CD1 LEU A 677 -11.957 17.154 50.930 1.00 22.24 C ATOM 72 CD2 LEU A 677 -9.682 17.631 51.830 1.00 22.61 C ATOM 0 H LEU A 677 -10.306 21.028 51.501 1.00 21.43 H new ATOM 0 HA LEU A 677 -8.663 19.454 50.347 1.00 20.40 H new ATOM 0 HB2 LEU A 677 -11.448 19.650 49.882 1.00 22.37 H new ATOM 0 HB3 LEU A 677 -10.603 18.476 49.298 1.00 22.37 H new ATOM 0 HG LEU A 677 -11.348 18.820 51.988 1.00 21.53 H new ATOM 0 HD11 LEU A 677 -12.152 16.617 51.714 1.00 22.24 H new ATOM 0 HD12 LEU A 677 -12.777 17.553 50.600 1.00 22.24 H new ATOM 0 HD13 LEU A 677 -11.572 16.590 50.241 1.00 22.24 H new ATOM 0 HD21 LEU A 677 -9.878 17.106 52.621 1.00 22.61 H new ATOM 0 HD22 LEU A 677 -9.294 17.058 51.150 1.00 22.61 H new ATOM 0 HD23 LEU A 677 -9.053 18.334 52.057 1.00 22.61 H new ATOM 73 N GLU A 678 -9.902 21.534 48.282 1.00 22.47 N ATOM 74 CA GLU A 678 -9.746 22.122 46.960 1.00 24.45 C ATOM 75 C GLU A 678 -8.361 22.734 46.828 1.00 22.72 C ATOM 76 O GLU A 678 -7.685 22.561 45.816 1.00 22.49 O ATOM 77 CB GLU A 678 -10.798 23.211 46.743 1.00 27.66 C ATOM 78 CG GLU A 678 -10.540 24.095 45.534 1.00 35.29 C ATOM 79 CD GLU A 678 -11.379 23.712 44.333 1.00 41.93 C ATOM 80 OE1 GLU A 678 -11.245 22.566 43.846 1.00 43.42 O ATOM 81 OE2 GLU A 678 -12.178 24.566 43.880 1.00 44.81 O ATOM 0 H GLU A 678 -10.490 21.920 48.777 1.00 22.47 H new ATOM 0 HA GLU A 678 -9.860 21.426 46.294 1.00 24.45 H new ATOM 0 HB2 GLU A 678 -11.667 22.792 46.645 1.00 27.66 H new ATOM 0 HB3 GLU A 678 -10.840 23.769 47.536 1.00 27.66 H new ATOM 0 HG2 GLU A 678 -10.723 25.018 45.769 1.00 35.29 H new ATOM 0 HG3 GLU A 678 -9.601 24.044 45.296 1.00 35.29 H new ATOM 82 N ALA A 679 -7.950 23.449 47.866 1.00 23.54 N ATOM 83 CA ALA A 679 -6.659 24.124 47.885 1.00 24.43 C ATOM 84 C ALA A 679 -5.447 23.207 47.752 1.00 24.19 C ATOM 85 O ALA A 679 -4.481 23.545 47.061 1.00 25.02 O ATOM 86 CB ALA A 679 -6.537 24.954 49.163 1.00 26.17 C ATOM 0 H ALA A 679 -8.413 23.557 48.582 1.00 23.54 H new ATOM 0 HA ALA A 679 -6.646 24.685 47.094 1.00 24.43 H new ATOM 0 HB1 ALA A 679 -5.678 25.404 49.176 1.00 26.17 H new ATOM 0 HB2 ALA A 679 -7.247 25.614 49.189 1.00 26.17 H new ATOM 0 HB3 ALA A 679 -6.609 24.372 49.935 1.00 26.17 H new ATOM 87 N ILE A 680 -5.496 22.050 48.402 1.00 23.87 N ATOM 88 CA ILE A 680 -4.370 21.119 48.376 1.00 23.83 C ATOM 89 C ILE A 680 -4.378 20.103 47.241 1.00 23.60 C ATOM 90 O ILE A 680 -3.417 19.350 47.087 1.00 22.64 O ATOM 91 CB ILE A 680 -4.268 20.341 49.702 1.00 23.67 C ATOM 92 CG1 ILE A 680 -5.510 19.463 49.885 1.00 21.84 C ATOM 93 CG2 ILE A 680 -4.125 21.317 50.868 1.00 25.08 C ATOM 94 CD1 ILE A 680 -5.436 18.517 51.074 1.00 19.99 C ATOM 0 H ILE A 680 -6.171 21.784 48.864 1.00 23.87 H new ATOM 0 HA ILE A 680 -3.604 21.696 48.232 1.00 23.83 H new ATOM 0 HB ILE A 680 -3.484 19.770 49.680 1.00 23.67 H new ATOM 0 HG12 ILE A 680 -6.286 20.036 49.988 1.00 21.84 H new ATOM 0 HG13 ILE A 680 -5.647 18.942 49.078 1.00 21.84 H new ATOM 0 HG21 ILE A 680 -4.061 20.821 51.699 1.00 25.08 H new ATOM 0 HG22 ILE A 680 -3.324 21.850 50.748 1.00 25.08 H new ATOM 0 HG23 ILE A 680 -4.899 21.901 50.899 1.00 25.08 H new ATOM 0 HD11 ILE A 680 -6.253 17.997 51.125 1.00 19.99 H new ATOM 0 HD12 ILE A 680 -4.679 17.920 50.966 1.00 19.99 H new ATOM 0 HD13 ILE A 680 -5.328 19.030 51.890 1.00 19.99 H new ATOM 95 N GLU A 681 -5.452 20.071 46.454 1.00 21.68 N ATOM 96 CA GLU A 681 -5.556 19.122 45.347 1.00 23.29 C ATOM 97 C GLU A 681 -4.351 19.240 44.404 1.00 24.58 C ATOM 98 O GLU A 681 -4.071 20.310 43.860 1.00 23.88 O ATOM 99 CB GLU A 681 -6.859 19.362 44.573 1.00 23.23 C ATOM 100 CG GLU A 681 -7.126 18.375 43.446 1.00 23.57 C ATOM 101 CD GLU A 681 -7.358 16.950 43.928 1.00 22.72 C ATOM 102 OE1 GLU A 681 -7.608 16.080 43.072 1.00 23.15 O ATOM 103 OE2 GLU A 681 -7.293 16.693 45.151 1.00 23.24 O ATOM 0 H GLU A 681 -6.131 20.590 46.544 1.00 21.68 H new ATOM 0 HA GLU A 681 -5.563 18.224 45.715 1.00 23.29 H new ATOM 0 HB2 GLU A 681 -7.601 19.329 45.197 1.00 23.23 H new ATOM 0 HB3 GLU A 681 -6.839 20.258 44.203 1.00 23.23 H new ATOM 0 HG2 GLU A 681 -7.903 18.670 42.945 1.00 23.57 H new ATOM 0 HG3 GLU A 681 -6.374 18.383 42.834 1.00 23.57 H new ATOM 104 N PRO A 682 -3.628 18.130 44.194 1.00 25.99 N ATOM 105 CA PRO A 682 -2.447 18.092 43.326 1.00 26.98 C ATOM 106 C PRO A 682 -2.685 18.595 41.909 1.00 27.58 C ATOM 107 O PRO A 682 -3.763 18.399 41.338 1.00 28.29 O ATOM 108 CB PRO A 682 -2.063 16.617 43.338 1.00 27.11 C ATOM 109 CG PRO A 682 -2.520 16.167 44.685 1.00 28.84 C ATOM 110 CD PRO A 682 -3.880 16.801 44.775 1.00 25.75 C ATOM 0 HA PRO A 682 -1.754 18.689 43.649 1.00 26.98 H new ATOM 0 HB2 PRO A 682 -2.502 16.125 42.626 1.00 27.11 H new ATOM 0 HB3 PRO A 682 -1.108 16.493 43.222 1.00 27.11 H new ATOM 0 HG2 PRO A 682 -2.564 15.200 44.750 1.00 28.84 H new ATOM 0 HG3 PRO A 682 -1.929 16.472 45.391 1.00 28.84 H new ATOM 0 HD2 PRO A 682 -4.547 16.305 44.275 1.00 25.75 H new ATOM 0 HD3 PRO A 682 -4.196 16.857 45.690 1.00 25.75 H new ATOM 111 N GLY A 683 -1.666 19.237 41.345 1.00 27.32 N ATOM 112 CA GLY A 683 -1.771 19.732 39.986 1.00 28.00 C ATOM 113 C GLY A 683 -1.506 18.604 39.003 1.00 27.94 C ATOM 114 O GLY A 683 -1.504 17.429 39.382 1.00 28.23 O ATOM 0 H GLY A 683 -0.914 19.393 41.731 1.00 27.32 H new ATOM 0 HA2 GLY A 683 -2.655 20.102 39.835 1.00 28.00 H new ATOM 0 HA3 GLY A 683 -1.135 20.451 39.845 1.00 28.00 H new ATOM 115 N VAL A 684 -1.274 18.958 37.744 1.00 27.14 N ATOM 116 CA VAL A 684 -1.010 17.978 36.698 1.00 27.12 C ATOM 117 C VAL A 684 0.351 17.307 36.870 1.00 25.62 C ATOM 118 O VAL A 684 1.335 17.960 37.206 1.00 25.89 O ATOM 119 CB VAL A 684 -1.054 18.641 35.300 1.00 28.48 C ATOM 120 CG1 VAL A 684 -0.764 17.609 34.220 1.00 29.81 C ATOM 121 CG2 VAL A 684 -2.419 19.277 35.071 1.00 32.19 C ATOM 0 H VAL A 684 -1.265 19.774 37.472 1.00 27.14 H new ATOM 0 HA VAL A 684 -1.704 17.305 36.772 1.00 27.12 H new ATOM 0 HB VAL A 684 -0.375 19.332 35.257 1.00 28.48 H new ATOM 0 HG11 VAL A 684 -0.794 18.035 33.349 1.00 29.81 H new ATOM 0 HG12 VAL A 684 0.117 17.229 34.363 1.00 29.81 H new ATOM 0 HG13 VAL A 684 -1.430 16.905 34.258 1.00 29.81 H new ATOM 0 HG21 VAL A 684 -2.440 19.691 34.194 1.00 32.19 H new ATOM 0 HG22 VAL A 684 -3.107 18.595 35.123 1.00 32.19 H new ATOM 0 HG23 VAL A 684 -2.580 19.951 35.750 1.00 32.19 H new ATOM 122 N VAL A 685 0.392 15.999 36.643 1.00 25.13 N ATOM 123 CA VAL A 685 1.629 15.229 36.743 1.00 24.51 C ATOM 124 C VAL A 685 1.811 14.479 35.425 1.00 25.16 C ATOM 125 O VAL A 685 0.906 13.782 34.971 1.00 23.08 O ATOM 126 CB VAL A 685 1.575 14.204 37.906 1.00 24.17 C ATOM 127 CG1 VAL A 685 2.891 13.422 37.982 1.00 25.50 C ATOM 128 CG2 VAL A 685 1.318 14.918 39.223 1.00 23.15 C ATOM 0 H VAL A 685 -0.296 15.531 36.426 1.00 25.13 H new ATOM 0 HA VAL A 685 2.367 15.833 36.919 1.00 24.51 H new ATOM 0 HB VAL A 685 0.849 13.582 37.739 1.00 24.17 H new ATOM 0 HG11 VAL A 685 2.847 12.784 38.712 1.00 25.50 H new ATOM 0 HG12 VAL A 685 3.035 12.949 37.148 1.00 25.50 H new ATOM 0 HG13 VAL A 685 3.625 14.037 38.135 1.00 25.50 H new ATOM 0 HG21 VAL A 685 1.286 14.268 39.943 1.00 23.15 H new ATOM 0 HG22 VAL A 685 2.032 15.552 39.392 1.00 23.15 H new ATOM 0 HG23 VAL A 685 0.472 15.389 39.176 1.00 23.15 H new ATOM 129 N CYS A 686 2.974 14.639 34.800 1.00 24.59 N ATOM 130 CA CYS A 686 3.257 13.965 33.538 1.00 24.75 C ATOM 131 C CYS A 686 4.117 12.729 33.772 1.00 23.20 C ATOM 132 O CYS A 686 4.902 12.676 34.720 1.00 23.04 O ATOM 133 CB CYS A 686 3.970 14.914 32.574 1.00 26.90 C ATOM 134 SG CYS A 686 3.002 16.371 32.157 1.00 30.67 S ATOM 0 H CYS A 686 3.613 15.135 35.091 1.00 24.59 H new ATOM 0 HA CYS A 686 2.413 13.691 33.146 1.00 24.75 H new ATOM 0 HB2 CYS A 686 4.810 15.195 32.970 1.00 26.90 H new ATOM 0 HB3 CYS A 686 4.186 14.434 31.759 1.00 26.90 H new ATOM 0 HG CYS A 686 2.997 16.521 30.966 1.00 30.67 H new ATOM 135 N ALA A 687 3.975 11.747 32.889 1.00 22.27 N ATOM 136 CA ALA A 687 4.707 10.492 32.997 1.00 23.61 C ATOM 137 C ALA A 687 6.083 10.497 32.338 1.00 23.35 C ATOM 138 O ALA A 687 6.932 9.683 32.691 1.00 24.89 O ATOM 139 CB ALA A 687 3.874 9.366 32.410 1.00 22.04 C ATOM 0 H ALA A 687 3.450 11.790 32.209 1.00 22.27 H new ATOM 0 HA ALA A 687 4.865 10.361 33.945 1.00 23.61 H new ATOM 0 HB1 ALA A 687 4.362 8.531 32.482 1.00 22.04 H new ATOM 0 HB2 ALA A 687 3.038 9.295 32.896 1.00 22.04 H new ATOM 0 HB3 ALA A 687 3.690 9.553 31.476 1.00 22.04 H new ATOM 140 N GLY A 688 6.294 11.395 31.380 1.00 24.36 N ATOM 141 CA GLY A 688 7.568 11.451 30.680 1.00 24.21 C ATOM 142 C GLY A 688 7.664 10.384 29.602 1.00 25.05 C ATOM 143 O GLY A 688 8.755 10.038 29.146 1.00 24.35 O ATOM 0 H GLY A 688 5.715 11.977 31.123 1.00 24.36 H new ATOM 0 HA2 GLY A 688 7.679 12.327 30.279 1.00 24.21 H new ATOM 0 HA3 GLY A 688 8.292 11.336 31.315 1.00 24.21 H new ATOM 144 N HIS A 689 6.512 9.868 29.182 1.00 23.33 N ATOM 145 CA HIS A 689 6.444 8.817 28.165 1.00 24.51 C ATOM 146 C HIS A 689 6.746 9.320 26.754 1.00 24.48 C ATOM 147 O HIS A 689 6.322 10.409 26.377 1.00 25.41 O ATOM 148 CB HIS A 689 5.049 8.182 28.167 1.00 23.41 C ATOM 149 CG HIS A 689 4.927 7.001 27.256 1.00 24.27 C ATOM 150 ND1 HIS A 689 5.608 5.822 27.472 1.00 23.18 N ATOM 151 CD2 HIS A 689 4.236 6.831 26.103 1.00 22.92 C ATOM 152 CE1 HIS A 689 5.345 4.978 26.490 1.00 24.12 C ATOM 153 NE2 HIS A 689 4.516 5.566 25.646 1.00 22.66 N ATOM 0 H HIS A 689 5.744 10.117 29.479 1.00 23.33 H new ATOM 0 HA HIS A 689 7.127 8.169 28.398 1.00 24.51 H new ATOM 0 HB2 HIS A 689 4.828 7.908 29.071 1.00 23.41 H new ATOM 0 HB3 HIS A 689 4.397 8.851 27.906 1.00 23.41 H new ATOM 0 HD1 HIS A 689 6.123 5.661 28.141 1.00 23.18 H new ATOM 0 HD2 HIS A 689 3.677 7.454 25.697 1.00 22.92 H new ATOM 0 HE1 HIS A 689 5.686 4.117 26.407 1.00 24.12 H new ATOM 154 N ASP A 690 7.474 8.520 25.975 1.00 25.38 N ATOM 155 CA ASP A 690 7.798 8.893 24.596 1.00 25.04 C ATOM 156 C ASP A 690 6.718 8.344 23.671 1.00 24.17 C ATOM 157 O ASP A 690 6.763 7.185 23.253 1.00 24.32 O ATOM 158 CB ASP A 690 9.162 8.333 24.180 1.00 24.19 C ATOM 159 CG ASP A 690 9.534 8.708 22.757 1.00 26.71 C ATOM 160 OD1 ASP A 690 8.718 9.367 22.071 1.00 24.21 O ATOM 161 OD2 ASP A 690 10.650 8.347 22.321 1.00 25.86 O ATOM 0 H ASP A 690 7.789 7.760 26.224 1.00 25.38 H new ATOM 0 HA ASP A 690 7.837 9.860 24.534 1.00 25.04 H new ATOM 0 HB2 ASP A 690 9.843 8.663 24.787 1.00 24.19 H new ATOM 0 HB3 ASP A 690 9.151 7.367 24.265 1.00 24.19 H new ATOM 162 N ASN A 691 5.748 9.189 23.353 1.00 25.20 N ATOM 163 CA ASN A 691 4.637 8.801 22.499 1.00 26.65 C ATOM 164 C ASN A 691 4.995 8.725 21.021 1.00 29.74 C ATOM 165 O ASN A 691 4.153 8.385 20.190 1.00 29.73 O ATOM 166 CB ASN A 691 3.475 9.770 22.709 1.00 26.13 C ATOM 167 CG ASN A 691 2.801 9.579 24.053 1.00 26.54 C ATOM 168 OD1 ASN A 691 2.081 8.602 24.262 1.00 28.98 O ATOM 169 ND2 ASN A 691 3.043 10.501 24.977 1.00 27.64 N ATOM 0 H ASN A 691 5.715 10.004 23.626 1.00 25.20 H new ATOM 0 HA ASN A 691 4.385 7.901 22.759 1.00 26.65 H new ATOM 0 HB2 ASN A 691 3.800 10.681 22.639 1.00 26.13 H new ATOM 0 HB3 ASN A 691 2.822 9.647 22.002 1.00 26.13 H new ATOM 0 HD21 ASN A 691 2.691 10.429 25.758 1.00 27.64 H new ATOM 0 HD22 ASN A 691 3.552 11.170 24.794 1.00 27.64 H new ATOM 170 N ASN A 692 6.243 9.039 20.692 1.00 30.57 N ATOM 171 CA ASN A 692 6.688 8.993 19.303 1.00 33.74 C ATOM 172 C ASN A 692 7.154 7.596 18.915 1.00 35.44 C ATOM 173 O ASN A 692 7.348 7.300 17.736 1.00 37.20 O ATOM 174 CB ASN A 692 7.819 9.994 19.087 1.00 35.08 C ATOM 175 CG ASN A 692 7.376 11.418 19.324 1.00 36.37 C ATOM 176 OD1 ASN A 692 6.616 11.984 18.536 1.00 37.22 O ATOM 177 ND2 ASN A 692 7.835 12.005 20.424 1.00 36.84 N ATOM 0 H ASN A 692 6.846 9.281 21.255 1.00 30.57 H new ATOM 0 HA ASN A 692 5.934 9.226 18.739 1.00 33.74 H new ATOM 0 HB2 ASN A 692 8.554 9.782 19.684 1.00 35.08 H new ATOM 0 HB3 ASN A 692 8.155 9.908 18.181 1.00 35.08 H new ATOM 0 HD21 ASN A 692 7.603 12.812 20.610 1.00 36.84 H new ATOM 0 HD22 ASN A 692 8.364 11.578 20.950 1.00 36.84 H new ATOM 178 N GLN A 693 7.339 6.744 19.914 1.00 35.41 N ATOM 179 CA GLN A 693 7.774 5.375 19.685 1.00 36.82 C ATOM 180 C GLN A 693 6.556 4.463 19.596 1.00 36.56 C ATOM 181 O GLN A 693 5.510 4.753 20.183 1.00 35.25 O ATOM 182 CB GLN A 693 8.650 4.886 20.844 1.00 37.75 C ATOM 183 CG GLN A 693 9.992 5.580 21.000 1.00 41.64 C ATOM 184 CD GLN A 693 10.947 5.264 19.869 1.00 44.48 C ATOM 185 OE1 GLN A 693 11.096 4.104 19.473 1.00 45.81 O ATOM 186 NE2 GLN A 693 11.612 6.291 19.350 1.00 45.62 N ATOM 0 H GLN A 693 7.216 6.943 20.742 1.00 35.41 H new ATOM 0 HA GLN A 693 8.283 5.352 18.859 1.00 36.82 H new ATOM 0 HB2 GLN A 693 8.152 4.992 21.670 1.00 37.75 H new ATOM 0 HB3 GLN A 693 8.808 3.936 20.729 1.00 37.75 H new ATOM 0 HG2 GLN A 693 9.853 6.539 21.043 1.00 41.64 H new ATOM 0 HG3 GLN A 693 10.394 5.314 21.842 1.00 41.64 H new ATOM 0 HE21 GLN A 693 11.481 7.085 19.653 1.00 45.62 H new ATOM 0 HE22 GLN A 693 12.173 6.161 18.711 1.00 45.62 H new ATOM 187 N PRO A 694 6.671 3.358 18.843 1.00 35.92 N ATOM 188 CA PRO A 694 5.552 2.420 18.719 1.00 35.00 C ATOM 189 C PRO A 694 5.344 1.883 20.129 1.00 33.43 C ATOM 190 O PRO A 694 6.309 1.753 20.879 1.00 32.14 O ATOM 191 CB PRO A 694 6.103 1.348 17.782 1.00 36.03 C ATOM 192 CG PRO A 694 7.055 2.121 16.913 1.00 37.24 C ATOM 193 CD PRO A 694 7.764 2.999 17.922 1.00 36.96 C ATOM 0 HA PRO A 694 4.713 2.772 18.382 1.00 35.00 H new ATOM 0 HB2 PRO A 694 6.554 0.641 18.270 1.00 36.03 H new ATOM 0 HB3 PRO A 694 5.400 0.929 17.261 1.00 36.03 H new ATOM 0 HG2 PRO A 694 7.672 1.538 16.443 1.00 37.24 H new ATOM 0 HG3 PRO A 694 6.590 2.643 16.241 1.00 37.24 H new ATOM 0 HD2 PRO A 694 8.479 2.526 18.375 1.00 36.96 H new ATOM 0 HD3 PRO A 694 8.160 3.781 17.507 1.00 36.96 H new ATOM 194 N ASP A 695 4.107 1.577 20.497 1.00 31.16 N ATOM 195 CA ASP A 695 3.839 1.070 21.838 1.00 29.97 C ATOM 196 C ASP A 695 4.477 -0.293 22.087 1.00 29.34 C ATOM 197 O ASP A 695 4.499 -1.151 21.209 1.00 26.52 O ATOM 198 CB ASP A 695 2.332 0.934 22.085 1.00 31.32 C ATOM 199 CG ASP A 695 1.594 2.253 21.990 1.00 33.26 C ATOM 200 OD1 ASP A 695 2.151 3.293 22.407 1.00 34.09 O ATOM 201 OD2 ASP A 695 0.440 2.243 21.510 1.00 35.33 O ATOM 0 H ASP A 695 3.415 1.654 19.993 1.00 31.16 H new ATOM 0 HA ASP A 695 4.228 1.718 22.446 1.00 29.97 H new ATOM 0 HB2 ASP A 695 1.959 0.313 21.440 1.00 31.32 H new ATOM 0 HB3 ASP A 695 2.187 0.551 22.964 1.00 31.32 H new ATOM 202 N SER A 696 4.990 -0.485 23.297 1.00 27.60 N ATOM 203 CA SER A 696 5.581 -1.757 23.683 1.00 27.25 C ATOM 204 C SER A 696 5.210 -1.961 25.145 1.00 26.10 C ATOM 205 O SER A 696 5.015 -0.994 25.882 1.00 25.40 O ATOM 206 CB SER A 696 7.108 -1.739 23.531 1.00 27.67 C ATOM 207 OG SER A 696 7.725 -1.050 24.603 1.00 28.51 O ATOM 0 H SER A 696 5.005 0.115 23.913 1.00 27.60 H new ATOM 0 HA SER A 696 5.253 -2.472 23.116 1.00 27.25 H new ATOM 0 HB2 SER A 696 7.442 -2.649 23.494 1.00 27.67 H new ATOM 0 HB3 SER A 696 7.346 -1.315 22.692 1.00 27.67 H new ATOM 0 HG SER A 696 8.558 -1.056 24.497 1.00 28.51 H new ATOM 208 N PHE A 697 5.094 -3.216 25.556 1.00 25.98 N ATOM 209 CA PHE A 697 4.754 -3.533 26.938 1.00 25.88 C ATOM 210 C PHE A 697 5.760 -2.896 27.893 1.00 25.23 C ATOM 211 O PHE A 697 5.386 -2.198 28.836 1.00 24.70 O ATOM 212 CB PHE A 697 4.752 -5.050 27.140 1.00 25.62 C ATOM 213 CG PHE A 697 4.659 -5.467 28.578 1.00 27.80 C ATOM 214 CD1 PHE A 697 3.478 -5.297 29.291 1.00 27.07 C ATOM 215 CD2 PHE A 697 5.762 -6.018 29.229 1.00 26.69 C ATOM 216 CE1 PHE A 697 3.392 -5.668 30.625 1.00 26.35 C ATOM 217 CE2 PHE A 697 5.685 -6.392 30.567 1.00 27.11 C ATOM 218 CZ PHE A 697 4.495 -6.217 31.266 1.00 27.00 C ATOM 0 H PHE A 697 5.208 -3.902 25.050 1.00 25.98 H new ATOM 0 HA PHE A 697 3.871 -3.180 27.127 1.00 25.88 H new ATOM 0 HB2 PHE A 697 4.006 -5.432 26.652 1.00 25.62 H new ATOM 0 HB3 PHE A 697 5.562 -5.420 26.756 1.00 25.62 H new ATOM 0 HD1 PHE A 697 2.736 -4.930 28.868 1.00 27.07 H new ATOM 0 HD2 PHE A 697 6.558 -6.137 28.764 1.00 26.69 H new ATOM 0 HE1 PHE A 697 2.596 -5.549 31.090 1.00 26.35 H new ATOM 0 HE2 PHE A 697 6.427 -6.758 30.993 1.00 27.11 H new ATOM 0 HZ PHE A 697 4.438 -6.467 32.160 1.00 27.00 H new ATOM 219 N ALA A 698 7.043 -3.131 27.636 1.00 24.57 N ATOM 220 CA ALA A 698 8.099 -2.598 28.486 1.00 24.49 C ATOM 221 C ALA A 698 8.061 -1.083 28.661 1.00 23.60 C ATOM 222 O ALA A 698 8.189 -0.580 29.780 1.00 24.54 O ATOM 223 CB ALA A 698 9.469 -3.028 27.942 1.00 25.54 C ATOM 0 H ALA A 698 7.323 -3.599 26.971 1.00 24.57 H new ATOM 0 HA ALA A 698 7.946 -2.970 29.369 1.00 24.49 H new ATOM 0 HB1 ALA A 698 10.170 -2.671 28.510 1.00 25.54 H new ATOM 0 HB2 ALA A 698 9.524 -3.996 27.931 1.00 25.54 H new ATOM 0 HB3 ALA A 698 9.581 -2.688 27.040 1.00 25.54 H new ATOM 224 N ALA A 699 7.894 -0.354 27.562 1.00 23.18 N ATOM 225 CA ALA A 699 7.871 1.104 27.624 1.00 22.94 C ATOM 226 C ALA A 699 6.640 1.640 28.346 1.00 21.67 C ATOM 227 O ALA A 699 6.737 2.575 29.139 1.00 20.34 O ATOM 228 CB ALA A 699 7.951 1.692 26.215 1.00 24.91 C ATOM 0 H ALA A 699 7.793 -0.682 26.774 1.00 23.18 H new ATOM 0 HA ALA A 699 8.646 1.379 28.138 1.00 22.94 H new ATOM 0 HB1 ALA A 699 7.935 2.660 26.267 1.00 24.91 H new ATOM 0 HB2 ALA A 699 8.775 1.405 25.791 1.00 24.91 H new ATOM 0 HB3 ALA A 699 7.194 1.384 25.692 1.00 24.91 H new ATOM 229 N LEU A 700 5.478 1.063 28.062 1.00 21.72 N ATOM 230 CA LEU A 700 4.255 1.516 28.710 1.00 21.67 C ATOM 231 C LEU A 700 4.300 1.287 30.222 1.00 20.32 C ATOM 232 O LEU A 700 3.985 2.188 30.994 1.00 20.50 O ATOM 233 CB LEU A 700 3.037 0.812 28.103 1.00 20.73 C ATOM 234 CG LEU A 700 2.687 1.217 26.663 1.00 21.82 C ATOM 235 CD1 LEU A 700 1.610 0.287 26.119 1.00 23.34 C ATOM 236 CD2 LEU A 700 2.216 2.663 26.624 1.00 21.78 C ATOM 0 H LEU A 700 5.377 0.416 27.504 1.00 21.72 H new ATOM 0 HA LEU A 700 4.178 2.471 28.557 1.00 21.67 H new ATOM 0 HB2 LEU A 700 3.193 -0.145 28.124 1.00 20.73 H new ATOM 0 HB3 LEU A 700 2.268 0.987 28.667 1.00 20.73 H new ATOM 0 HG LEU A 700 3.478 1.140 26.107 1.00 21.82 H new ATOM 0 HD11 LEU A 700 1.390 0.544 25.210 1.00 23.34 H new ATOM 0 HD12 LEU A 700 1.937 -0.626 26.127 1.00 23.34 H new ATOM 0 HD13 LEU A 700 0.817 0.351 26.674 1.00 23.34 H new ATOM 0 HD21 LEU A 700 1.998 2.908 25.711 1.00 21.78 H new ATOM 0 HD22 LEU A 700 1.429 2.762 27.182 1.00 21.78 H new ATOM 0 HD23 LEU A 700 2.921 3.242 26.954 1.00 21.78 H new ATOM 237 N LEU A 701 4.698 0.094 30.649 1.00 20.70 N ATOM 238 CA LEU A 701 4.760 -0.192 32.079 1.00 20.53 C ATOM 239 C LEU A 701 5.869 0.584 32.783 1.00 21.64 C ATOM 240 O LEU A 701 5.697 1.022 33.920 1.00 20.93 O ATOM 241 CB LEU A 701 4.891 -1.701 32.324 1.00 20.27 C ATOM 242 CG LEU A 701 3.540 -2.437 32.409 1.00 20.87 C ATOM 243 CD1 LEU A 701 2.768 -1.974 33.657 1.00 18.43 C ATOM 244 CD2 LEU A 701 2.726 -2.175 31.153 1.00 21.06 C ATOM 0 H LEU A 701 4.933 -0.555 30.137 1.00 20.70 H new ATOM 0 HA LEU A 701 3.925 0.111 32.468 1.00 20.53 H new ATOM 0 HB2 LEU A 701 5.418 -2.092 31.609 1.00 20.27 H new ATOM 0 HB3 LEU A 701 5.381 -1.845 33.149 1.00 20.27 H new ATOM 0 HG LEU A 701 3.701 -3.391 32.480 1.00 20.87 H new ATOM 0 HD11 LEU A 701 1.919 -2.441 33.704 1.00 18.43 H new ATOM 0 HD12 LEU A 701 3.289 -2.170 34.451 1.00 18.43 H new ATOM 0 HD13 LEU A 701 2.608 -1.019 33.603 1.00 18.43 H new ATOM 0 HD21 LEU A 701 1.878 -2.641 31.214 1.00 21.06 H new ATOM 0 HD22 LEU A 701 2.565 -1.223 31.064 1.00 21.06 H new ATOM 0 HD23 LEU A 701 3.215 -2.494 30.378 1.00 21.06 H new ATOM 245 N SER A 702 7.003 0.779 32.117 1.00 21.66 N ATOM 246 CA SER A 702 8.066 1.560 32.734 1.00 21.50 C ATOM 247 C SER A 702 7.561 2.992 32.946 1.00 21.88 C ATOM 248 O SER A 702 7.874 3.633 33.950 1.00 21.67 O ATOM 249 CB SER A 702 9.313 1.573 31.842 1.00 23.17 C ATOM 250 OG SER A 702 9.912 0.292 31.807 1.00 23.30 O ATOM 0 H SER A 702 7.173 0.477 31.330 1.00 21.66 H new ATOM 0 HA SER A 702 8.307 1.162 33.585 1.00 21.50 H new ATOM 0 HB2 SER A 702 9.072 1.848 30.944 1.00 23.17 H new ATOM 0 HB3 SER A 702 9.949 2.224 32.176 1.00 23.17 H new ATOM 0 HG SER A 702 9.538 -0.176 31.219 1.00 23.30 H new ATOM 251 N SER A 703 6.773 3.495 32.001 1.00 20.95 N ATOM 252 CA SER A 703 6.250 4.846 32.129 1.00 20.91 C ATOM 253 C SER A 703 5.194 4.937 33.228 1.00 20.08 C ATOM 254 O SER A 703 5.121 5.939 33.931 1.00 21.25 O ATOM 255 CB SER A 703 5.685 5.331 30.796 1.00 20.87 C ATOM 256 OG SER A 703 6.737 5.686 29.906 1.00 23.45 O ATOM 0 H SER A 703 6.533 3.076 31.289 1.00 20.95 H new ATOM 0 HA SER A 703 6.986 5.425 32.382 1.00 20.91 H new ATOM 0 HB2 SER A 703 5.139 4.635 30.398 1.00 20.87 H new ATOM 0 HB3 SER A 703 5.107 6.096 30.943 1.00 20.87 H new ATOM 0 HG SER A 703 7.228 6.263 30.268 1.00 23.45 H new ATOM 257 N LEU A 704 4.376 3.898 33.375 1.00 20.77 N ATOM 258 CA LEU A 704 3.363 3.891 34.429 1.00 20.24 C ATOM 259 C LEU A 704 4.083 3.873 35.780 1.00 21.11 C ATOM 260 O LEU A 704 3.664 4.535 36.730 1.00 20.06 O ATOM 261 CB LEU A 704 2.454 2.663 34.297 1.00 19.83 C ATOM 262 CG LEU A 704 1.395 2.730 33.188 1.00 22.05 C ATOM 263 CD1 LEU A 704 0.757 1.357 33.001 1.00 22.04 C ATOM 264 CD2 LEU A 704 0.332 3.773 33.553 1.00 21.66 C ATOM 0 H LEU A 704 4.390 3.194 32.881 1.00 20.77 H new ATOM 0 HA LEU A 704 2.805 4.681 34.355 1.00 20.24 H new ATOM 0 HB2 LEU A 704 3.011 1.885 34.142 1.00 19.83 H new ATOM 0 HB3 LEU A 704 2.002 2.524 35.144 1.00 19.83 H new ATOM 0 HG LEU A 704 1.815 2.992 32.354 1.00 22.05 H new ATOM 0 HD11 LEU A 704 0.089 1.403 32.300 1.00 22.04 H new ATOM 0 HD12 LEU A 704 1.440 0.714 32.754 1.00 22.04 H new ATOM 0 HD13 LEU A 704 0.336 1.080 33.830 1.00 22.04 H new ATOM 0 HD21 LEU A 704 -0.336 3.814 32.851 1.00 21.66 H new ATOM 0 HD22 LEU A 704 -0.093 3.524 34.389 1.00 21.66 H new ATOM 0 HD23 LEU A 704 0.751 4.642 33.650 1.00 21.66 H new ATOM 265 N ASN A 705 5.178 3.120 35.858 1.00 21.42 N ATOM 266 CA ASN A 705 5.950 3.044 37.096 1.00 20.80 C ATOM 267 C ASN A 705 6.543 4.398 37.464 1.00 20.33 C ATOM 268 O ASN A 705 6.522 4.790 38.630 1.00 21.84 O ATOM 269 CB ASN A 705 7.075 2.006 36.980 1.00 21.27 C ATOM 270 CG ASN A 705 6.568 0.580 37.070 1.00 23.16 C ATOM 271 OD1 ASN A 705 5.467 0.330 37.567 1.00 22.69 O ATOM 272 ND2 ASN A 705 7.381 -0.368 36.608 1.00 22.26 N ATOM 0 H ASN A 705 5.489 2.648 35.210 1.00 21.42 H new ATOM 0 HA ASN A 705 5.338 2.771 37.798 1.00 20.80 H new ATOM 0 HB2 ASN A 705 7.537 2.128 36.136 1.00 21.27 H new ATOM 0 HB3 ASN A 705 7.725 2.159 37.684 1.00 21.27 H new ATOM 0 HD21 ASN A 705 7.146 -1.194 36.649 1.00 22.26 H new ATOM 0 HD22 ASN A 705 8.141 -0.154 36.268 1.00 22.26 H new ATOM 273 N GLU A 706 7.081 5.107 36.475 1.00 20.87 N ATOM 274 CA GLU A 706 7.669 6.427 36.714 1.00 20.48 C ATOM 275 C GLU A 706 6.548 7.387 37.114 1.00 20.49 C ATOM 276 O GLU A 706 6.716 8.228 37.998 1.00 21.24 O ATOM 277 CB GLU A 706 8.389 6.919 35.451 1.00 21.53 C ATOM 278 CG GLU A 706 8.971 8.327 35.525 1.00 24.30 C ATOM 279 CD GLU A 706 9.936 8.517 36.682 1.00 26.23 C ATOM 280 OE1 GLU A 706 10.620 7.544 37.052 1.00 27.06 O ATOM 281 OE2 GLU A 706 10.017 9.647 37.210 1.00 27.20 O ATOM 0 H GLU A 706 7.117 4.843 35.657 1.00 20.87 H new ATOM 0 HA GLU A 706 8.324 6.381 37.428 1.00 20.48 H new ATOM 0 HB2 GLU A 706 9.108 6.300 35.247 1.00 21.53 H new ATOM 0 HB3 GLU A 706 7.765 6.884 34.709 1.00 21.53 H new ATOM 0 HG2 GLU A 706 9.430 8.525 34.693 1.00 24.30 H new ATOM 0 HG3 GLU A 706 8.246 8.966 35.608 1.00 24.30 H new ATOM 282 N LEU A 707 5.398 7.256 36.467 1.00 20.39 N ATOM 283 CA LEU A 707 4.265 8.105 36.811 1.00 19.06 C ATOM 284 C LEU A 707 3.886 7.830 38.267 1.00 18.56 C ATOM 285 O LEU A 707 3.546 8.748 39.013 1.00 19.47 O ATOM 286 CB LEU A 707 3.067 7.819 35.896 1.00 19.54 C ATOM 287 CG LEU A 707 1.820 8.654 36.229 1.00 19.86 C ATOM 288 CD1 LEU A 707 2.136 10.144 36.061 1.00 20.27 C ATOM 289 CD2 LEU A 707 0.665 8.249 35.318 1.00 21.58 C ATOM 0 H LEU A 707 5.253 6.691 35.835 1.00 20.39 H new ATOM 0 HA LEU A 707 4.511 9.036 36.694 1.00 19.06 H new ATOM 0 HB2 LEU A 707 3.325 7.990 34.977 1.00 19.54 H new ATOM 0 HB3 LEU A 707 2.841 6.878 35.957 1.00 19.54 H new ATOM 0 HG LEU A 707 1.560 8.491 37.149 1.00 19.86 H new ATOM 0 HD11 LEU A 707 1.347 10.668 36.272 1.00 20.27 H new ATOM 0 HD12 LEU A 707 2.858 10.391 36.660 1.00 20.27 H new ATOM 0 HD13 LEU A 707 2.403 10.317 35.145 1.00 20.27 H new ATOM 0 HD21 LEU A 707 -0.118 8.779 35.533 1.00 21.58 H new ATOM 0 HD22 LEU A 707 0.914 8.401 34.393 1.00 21.58 H new ATOM 0 HD23 LEU A 707 0.464 7.309 35.448 1.00 21.58 H new ATOM 290 N GLY A 708 3.945 6.564 38.671 1.00 19.38 N ATOM 291 CA GLY A 708 3.623 6.221 40.047 1.00 18.23 C ATOM 292 C GLY A 708 4.602 6.883 41.003 1.00 21.03 C ATOM 293 O GLY A 708 4.211 7.459 42.022 1.00 20.23 O ATOM 0 H GLY A 708 4.166 5.900 38.171 1.00 19.38 H new ATOM 0 HA2 GLY A 708 2.719 6.505 40.254 1.00 18.23 H new ATOM 0 HA3 GLY A 708 3.652 5.258 40.161 1.00 18.23 H new ATOM 294 N GLU A 709 5.889 6.798 40.670 1.00 19.48 N ATOM 295 CA GLU A 709 6.945 7.398 41.486 1.00 20.62 C ATOM 296 C GLU A 709 6.726 8.904 41.614 1.00 19.81 C ATOM 297 O GLU A 709 6.892 9.476 42.687 1.00 22.06 O ATOM 298 CB GLU A 709 8.318 7.148 40.847 1.00 22.48 C ATOM 299 CG GLU A 709 9.510 7.552 41.720 1.00 23.42 C ATOM 300 CD GLU A 709 9.853 6.500 42.768 1.00 27.29 C ATOM 301 OE1 GLU A 709 9.073 5.532 42.921 1.00 26.38 O ATOM 302 OE2 GLU A 709 10.904 6.640 43.441 1.00 25.16 O ATOM 0 H GLU A 709 6.174 6.392 39.967 1.00 19.48 H new ATOM 0 HA GLU A 709 6.916 6.990 42.365 1.00 20.62 H new ATOM 0 HB2 GLU A 709 8.395 6.205 40.632 1.00 22.48 H new ATOM 0 HB3 GLU A 709 8.366 7.635 40.010 1.00 22.48 H new ATOM 0 HG2 GLU A 709 10.283 7.705 41.155 1.00 23.42 H new ATOM 0 HG3 GLU A 709 9.312 8.392 42.163 1.00 23.42 H new ATOM 303 N ARG A 710 6.360 9.552 40.512 1.00 20.98 N ATOM 304 CA ARG A 710 6.125 10.986 40.537 1.00 19.67 C ATOM 305 C ARG A 710 4.858 11.325 41.316 1.00 21.02 C ATOM 306 O ARG A 710 4.844 12.264 42.121 1.00 19.48 O ATOM 307 CB ARG A 710 6.029 11.527 39.112 1.00 22.14 C ATOM 308 CG ARG A 710 7.310 11.328 38.315 1.00 22.92 C ATOM 309 CD ARG A 710 7.153 11.824 36.894 1.00 24.54 C ATOM 310 NE ARG A 710 8.425 11.783 36.183 1.00 25.78 N ATOM 311 CZ ARG A 710 8.633 12.307 34.981 1.00 27.52 C ATOM 312 NH1 ARG A 710 7.644 12.919 34.337 1.00 25.80 N ATOM 313 NH2 ARG A 710 9.840 12.235 34.433 1.00 26.25 N ATOM 0 H ARG A 710 6.244 9.180 39.745 1.00 20.98 H new ATOM 0 HA ARG A 710 6.874 11.406 40.987 1.00 19.67 H new ATOM 0 HB2 ARG A 710 5.296 11.087 38.653 1.00 22.14 H new ATOM 0 HB3 ARG A 710 5.817 12.473 39.144 1.00 22.14 H new ATOM 0 HG2 ARG A 710 8.039 11.800 38.746 1.00 22.92 H new ATOM 0 HG3 ARG A 710 7.547 10.387 38.308 1.00 22.92 H new ATOM 0 HD2 ARG A 710 6.500 11.279 36.428 1.00 24.54 H new ATOM 0 HD3 ARG A 710 6.811 12.732 36.901 1.00 24.54 H new ATOM 0 HE ARG A 710 9.087 11.392 36.569 1.00 25.78 H new ATOM 0 HH11 ARG A 710 6.866 12.977 34.699 1.00 25.80 H new ATOM 0 HH12 ARG A 710 7.782 13.257 33.559 1.00 25.80 H new ATOM 0 HH21 ARG A 710 10.482 11.850 34.856 1.00 26.25 H new ATOM 0 HH22 ARG A 710 9.980 12.573 33.655 1.00 26.25 H new ATOM 314 N GLN A 711 3.792 10.564 41.084 1.00 19.73 N ATOM 315 CA GLN A 711 2.545 10.810 41.804 1.00 21.67 C ATOM 316 C GLN A 711 2.673 10.575 43.300 1.00 22.42 C ATOM 317 O GLN A 711 2.028 11.257 44.089 1.00 22.02 O ATOM 318 CB GLN A 711 1.413 9.938 41.249 1.00 21.55 C ATOM 319 CG AGLN A 711 1.016 10.316 39.828 0.50 21.18 C ATOM 320 CG BGLN A 711 0.750 10.486 40.001 0.50 23.90 C ATOM 321 CD AGLN A 711 -0.414 9.938 39.484 0.50 21.17 C ATOM 322 CD BGLN A 711 -0.140 11.678 40.294 0.50 25.68 C ATOM 323 OE1AGLN A 711 -0.857 10.115 38.348 0.50 21.21 O ATOM 324 OE1BGLN A 711 -0.678 12.305 39.381 0.50 28.94 O ATOM 325 NE2AGLN A 711 -1.142 9.417 40.463 0.50 19.34 N ATOM 326 NE2BGLN A 711 -0.310 11.990 41.574 0.50 25.96 N ATOM 0 H GLN A 711 3.768 9.911 40.524 1.00 19.73 H new ATOM 0 HA GLN A 711 2.335 11.747 41.668 1.00 21.67 H new ATOM 0 HB2AGLN A 711 1.689 9.008 41.266 0.50 21.55 H new ATOM 0 HB2BGLN A 711 1.766 9.056 41.053 0.50 21.55 H new ATOM 0 HB3AGLN A 711 0.638 10.015 41.828 0.50 21.55 H new ATOM 0 HB3BGLN A 711 0.739 9.827 41.937 0.50 21.55 H new ATOM 0 HG2AGLN A 711 1.128 11.272 39.711 0.50 23.90 H new ATOM 0 HG2BGLN A 711 1.433 10.745 39.362 0.50 23.90 H new ATOM 0 HG3AGLN A 711 1.618 9.881 39.204 0.50 23.90 H new ATOM 0 HG3BGLN A 711 0.223 9.787 39.585 0.50 23.90 H new ATOM 0 HE21AGLN A 711 -0.798 9.308 41.244 0.50 25.96 H new ATOM 0 HE21BGLN A 711 0.082 11.529 42.185 0.50 25.96 H new ATOM 0 HE22AGLN A 711 -1.958 9.188 40.317 0.50 25.96 H new ATOM 0 HE22BGLN A 711 -0.812 12.653 41.792 0.50 25.96 H new ATOM 327 N LEU A 712 3.508 9.618 43.694 1.00 22.63 N ATOM 328 CA LEU A 712 3.685 9.315 45.108 1.00 23.46 C ATOM 329 C LEU A 712 4.157 10.550 45.873 1.00 22.81 C ATOM 330 O LEU A 712 3.724 10.796 46.995 1.00 22.73 O ATOM 331 CB LEU A 712 4.689 8.168 45.285 1.00 25.03 C ATOM 332 CG LEU A 712 4.661 7.454 46.638 1.00 30.29 C ATOM 333 CD1 LEU A 712 3.278 6.836 46.875 1.00 29.79 C ATOM 334 CD2 LEU A 712 5.735 6.370 46.659 1.00 32.47 C ATOM 0 H LEU A 712 3.979 9.135 43.160 1.00 22.63 H new ATOM 0 HA LEU A 712 2.827 9.041 45.469 1.00 23.46 H new ATOM 0 HB2 LEU A 712 4.528 7.511 44.589 1.00 25.03 H new ATOM 0 HB3 LEU A 712 5.582 8.519 45.143 1.00 25.03 H new ATOM 0 HG LEU A 712 4.839 8.093 47.346 1.00 30.29 H new ATOM 0 HD11 LEU A 712 3.268 6.385 47.734 1.00 29.79 H new ATOM 0 HD12 LEU A 712 2.606 7.535 46.869 1.00 29.79 H new ATOM 0 HD13 LEU A 712 3.085 6.196 46.172 1.00 29.79 H new ATOM 0 HD21 LEU A 712 5.720 5.916 47.516 1.00 32.47 H new ATOM 0 HD22 LEU A 712 5.563 5.730 45.951 1.00 32.47 H new ATOM 0 HD23 LEU A 712 6.606 6.775 46.524 1.00 32.47 H new ATOM 335 N VAL A 713 5.050 11.324 45.268 1.00 23.25 N ATOM 336 CA VAL A 713 5.544 12.534 45.912 1.00 23.56 C ATOM 337 C VAL A 713 4.380 13.497 46.155 1.00 23.46 C ATOM 338 O VAL A 713 4.232 14.038 47.250 1.00 23.06 O ATOM 339 CB VAL A 713 6.619 13.223 45.046 1.00 24.72 C ATOM 340 CG1 VAL A 713 6.994 14.578 45.651 1.00 27.84 C ATOM 341 CG2 VAL A 713 7.853 12.332 44.961 1.00 26.18 C ATOM 0 H VAL A 713 5.381 11.168 44.490 1.00 23.25 H new ATOM 0 HA VAL A 713 5.948 12.288 46.759 1.00 23.56 H new ATOM 0 HB VAL A 713 6.265 13.367 44.155 1.00 24.72 H new ATOM 0 HG11 VAL A 713 7.670 15.003 45.100 1.00 27.84 H new ATOM 0 HG12 VAL A 713 6.207 15.144 45.691 1.00 27.84 H new ATOM 0 HG13 VAL A 713 7.343 14.447 46.547 1.00 27.84 H new ATOM 0 HG21 VAL A 713 8.529 12.766 44.416 1.00 26.18 H new ATOM 0 HG22 VAL A 713 8.205 12.180 45.852 1.00 26.18 H new ATOM 0 HG23 VAL A 713 7.612 11.482 44.560 1.00 26.18 H new ATOM 342 N HIS A 714 3.547 13.698 45.139 1.00 22.90 N ATOM 343 CA HIS A 714 2.401 14.599 45.274 1.00 23.11 C ATOM 344 C HIS A 714 1.363 14.093 46.268 1.00 21.42 C ATOM 345 O HIS A 714 0.744 14.882 46.977 1.00 21.12 O ATOM 346 CB HIS A 714 1.729 14.827 43.917 1.00 24.41 C ATOM 347 CG HIS A 714 2.532 15.671 42.980 1.00 27.04 C ATOM 348 ND1 HIS A 714 3.574 15.169 42.231 1.00 29.35 N ATOM 349 CD2 HIS A 714 2.467 16.993 42.696 1.00 27.49 C ATOM 350 CE1 HIS A 714 4.118 16.145 41.526 1.00 30.24 C ATOM 351 NE2 HIS A 714 3.465 17.262 41.790 1.00 31.96 N ATOM 0 H HIS A 714 3.624 13.326 44.367 1.00 22.90 H new ATOM 0 HA HIS A 714 2.754 15.435 45.615 1.00 23.11 H new ATOM 0 HB2 HIS A 714 1.560 13.967 43.501 1.00 24.41 H new ATOM 0 HB3 HIS A 714 0.867 15.247 44.059 1.00 24.41 H new ATOM 0 HD1 HIS A 714 3.830 14.348 42.224 1.00 29.35 H new ATOM 0 HD2 HIS A 714 1.861 17.604 43.048 1.00 27.49 H new ATOM 0 HE1 HIS A 714 4.838 16.060 40.943 1.00 30.24 H new ATOM 352 N VAL A 715 1.165 12.781 46.317 1.00 22.19 N ATOM 353 CA VAL A 715 0.192 12.208 47.247 1.00 21.15 C ATOM 354 C VAL A 715 0.657 12.373 48.694 1.00 20.82 C ATOM 355 O VAL A 715 -0.157 12.609 49.594 1.00 17.86 O ATOM 356 CB VAL A 715 -0.059 10.718 46.944 1.00 22.29 C ATOM 357 CG1 VAL A 715 -0.897 10.091 48.053 1.00 25.12 C ATOM 358 CG2 VAL A 715 -0.774 10.580 45.602 1.00 23.22 C ATOM 0 H VAL A 715 1.578 12.208 45.827 1.00 22.19 H new ATOM 0 HA VAL A 715 -0.641 12.691 47.129 1.00 21.15 H new ATOM 0 HB VAL A 715 0.792 10.255 46.899 1.00 22.29 H new ATOM 0 HG11 VAL A 715 -1.049 9.154 47.853 1.00 25.12 H new ATOM 0 HG12 VAL A 715 -0.427 10.169 48.898 1.00 25.12 H new ATOM 0 HG13 VAL A 715 -1.749 10.551 48.114 1.00 25.12 H new ATOM 0 HG21 VAL A 715 -0.931 9.641 45.414 1.00 23.22 H new ATOM 0 HG22 VAL A 715 -1.623 11.048 45.638 1.00 23.22 H new ATOM 0 HG23 VAL A 715 -0.223 10.962 44.901 1.00 23.22 H new ATOM 359 N VAL A 716 1.966 12.254 48.919 1.00 19.90 N ATOM 360 CA VAL A 716 2.526 12.419 50.259 1.00 19.48 C ATOM 361 C VAL A 716 2.355 13.865 50.720 1.00 19.08 C ATOM 362 O VAL A 716 1.952 14.127 51.857 1.00 21.39 O ATOM 363 CB VAL A 716 4.046 12.071 50.297 1.00 18.38 C ATOM 364 CG1 VAL A 716 4.645 12.461 51.654 1.00 20.12 C ATOM 365 CG2 VAL A 716 4.243 10.583 50.069 1.00 19.88 C ATOM 0 H VAL A 716 2.546 12.078 48.309 1.00 19.90 H new ATOM 0 HA VAL A 716 2.049 11.812 50.846 1.00 19.48 H new ATOM 0 HB VAL A 716 4.495 12.568 49.595 1.00 18.38 H new ATOM 0 HG11 VAL A 716 5.589 12.240 51.666 1.00 20.12 H new ATOM 0 HG12 VAL A 716 4.534 13.414 51.795 1.00 20.12 H new ATOM 0 HG13 VAL A 716 4.191 11.975 52.360 1.00 20.12 H new ATOM 0 HG21 VAL A 716 5.190 10.374 50.094 1.00 19.88 H new ATOM 0 HG22 VAL A 716 3.784 10.085 50.764 1.00 19.88 H new ATOM 0 HG23 VAL A 716 3.881 10.337 49.203 1.00 19.88 H new ATOM 366 N LYS A 717 2.671 14.805 49.839 1.00 20.96 N ATOM 367 CA LYS A 717 2.542 16.218 50.175 1.00 21.92 C ATOM 368 C LYS A 717 1.076 16.588 50.392 1.00 22.21 C ATOM 369 O LYS A 717 0.751 17.372 51.283 1.00 21.45 O ATOM 370 CB LYS A 717 3.172 17.075 49.077 1.00 24.00 C ATOM 371 CG LYS A 717 4.692 16.897 49.009 1.00 29.48 C ATOM 372 CD LYS A 717 5.368 17.884 48.066 1.00 35.04 C ATOM 373 CE LYS A 717 6.887 17.720 48.109 1.00 37.58 C ATOM 374 NZ LYS A 717 7.596 18.720 47.260 1.00 41.01 N ATOM 0 H LYS A 717 2.961 14.648 49.045 1.00 20.96 H new ATOM 0 HA LYS A 717 3.014 16.389 51.005 1.00 21.92 H new ATOM 0 HB2 LYS A 717 2.781 16.840 48.221 1.00 24.00 H new ATOM 0 HB3 LYS A 717 2.964 18.009 49.237 1.00 24.00 H new ATOM 0 HG2 LYS A 717 5.064 17.001 49.899 1.00 29.48 H new ATOM 0 HG3 LYS A 717 4.894 15.993 48.721 1.00 29.48 H new ATOM 0 HD2 LYS A 717 5.049 17.744 47.161 1.00 35.04 H new ATOM 0 HD3 LYS A 717 5.129 18.791 48.314 1.00 35.04 H new ATOM 0 HE2 LYS A 717 7.192 17.805 49.026 1.00 37.58 H new ATOM 0 HE3 LYS A 717 7.121 16.826 47.814 1.00 37.58 H new ATOM 0 HZ1 LYS A 717 8.474 18.587 47.315 1.00 41.01 H new ATOM 0 HZ2 LYS A 717 7.335 18.629 46.414 1.00 41.01 H new ATOM 0 HZ3 LYS A 717 7.402 19.541 47.543 1.00 41.01 H new ATOM 375 N TRP A 718 0.203 16.015 49.572 1.00 20.81 N ATOM 376 CA TRP A 718 -1.241 16.236 49.674 1.00 20.86 C ATOM 377 C TRP A 718 -1.751 15.702 51.018 1.00 19.61 C ATOM 378 O TRP A 718 -2.393 16.417 51.787 1.00 19.04 O ATOM 379 CB TRP A 718 -1.943 15.499 48.527 1.00 21.17 C ATOM 380 CG TRP A 718 -3.428 15.314 48.705 1.00 20.22 C ATOM 381 CD1 TRP A 718 -4.403 16.256 48.532 1.00 22.46 C ATOM 382 CD2 TRP A 718 -4.097 14.103 49.079 1.00 20.79 C ATOM 383 NE1 TRP A 718 -5.649 15.701 48.772 1.00 20.03 N ATOM 384 CE2 TRP A 718 -5.487 14.383 49.110 1.00 20.22 C ATOM 385 CE3 TRP A 718 -3.659 12.806 49.391 1.00 20.11 C ATOM 386 CZ2 TRP A 718 -6.438 13.413 49.436 1.00 19.48 C ATOM 387 CZ3 TRP A 718 -4.613 11.835 49.717 1.00 21.81 C ATOM 388 CH2 TRP A 718 -5.991 12.151 49.736 1.00 20.65 C ATOM 0 H TRP A 718 0.430 15.483 48.936 1.00 20.81 H new ATOM 0 HA TRP A 718 -1.431 17.186 49.617 1.00 20.86 H new ATOM 0 HB2 TRP A 718 -1.788 15.987 47.703 1.00 21.17 H new ATOM 0 HB3 TRP A 718 -1.532 14.627 48.421 1.00 21.17 H new ATOM 0 HD1 TRP A 718 -4.252 17.141 48.289 1.00 22.46 H new ATOM 0 HE1 TRP A 718 -6.401 16.115 48.718 1.00 20.03 H new ATOM 0 HE3 TRP A 718 -2.753 12.596 49.381 1.00 20.11 H new ATOM 0 HZ2 TRP A 718 -7.345 13.616 49.449 1.00 19.48 H new ATOM 0 HZ3 TRP A 718 -4.337 10.971 49.924 1.00 21.81 H new ATOM 0 HH2 TRP A 718 -6.607 11.490 49.956 1.00 20.65 H new ATOM 389 N ALA A 719 -1.455 14.436 51.296 1.00 20.11 N ATOM 390 CA ALA A 719 -1.886 13.803 52.537 1.00 20.98 C ATOM 391 C ALA A 719 -1.420 14.544 53.785 1.00 22.26 C ATOM 392 O ALA A 719 -2.197 14.741 54.723 1.00 22.80 O ATOM 393 CB ALA A 719 -1.399 12.352 52.585 1.00 20.89 C ATOM 0 H ALA A 719 -1.002 13.923 50.775 1.00 20.11 H new ATOM 0 HA ALA A 719 -2.856 13.832 52.538 1.00 20.98 H new ATOM 0 HB1 ALA A 719 -1.690 11.940 53.413 1.00 20.89 H new ATOM 0 HB2 ALA A 719 -1.767 11.862 51.833 1.00 20.89 H new ATOM 0 HB3 ALA A 719 -0.430 12.334 52.539 1.00 20.89 H new ATOM 394 N LYS A 720 -0.156 14.958 53.805 1.00 20.94 N ATOM 395 CA LYS A 720 0.367 15.662 54.970 1.00 22.90 C ATOM 396 C LYS A 720 -0.321 17.005 55.216 1.00 21.61 C ATOM 397 O LYS A 720 -0.222 17.565 56.309 1.00 23.09 O ATOM 398 CB LYS A 720 1.882 15.859 54.829 1.00 24.89 C ATOM 399 CG LYS A 720 2.661 14.550 54.917 1.00 27.04 C ATOM 400 CD LYS A 720 4.132 14.719 54.549 1.00 31.43 C ATOM 401 CE LYS A 720 4.903 15.501 55.597 1.00 34.60 C ATOM 402 NZ LYS A 720 6.339 15.635 55.213 1.00 37.33 N ATOM 0 H LYS A 720 0.407 14.843 53.165 1.00 20.94 H new ATOM 0 HA LYS A 720 0.178 15.107 55.743 1.00 22.90 H new ATOM 0 HB2 LYS A 720 2.070 16.286 53.979 1.00 24.89 H new ATOM 0 HB3 LYS A 720 2.191 16.462 55.523 1.00 24.89 H new ATOM 0 HG2 LYS A 720 2.595 14.198 55.818 1.00 27.04 H new ATOM 0 HG3 LYS A 720 2.256 13.896 54.326 1.00 27.04 H new ATOM 0 HD2 LYS A 720 4.538 13.845 54.438 1.00 31.43 H new ATOM 0 HD3 LYS A 720 4.199 15.174 53.695 1.00 31.43 H new ATOM 0 HE2 LYS A 720 4.509 16.381 55.703 1.00 34.60 H new ATOM 0 HE3 LYS A 720 4.834 15.054 56.455 1.00 34.60 H new ATOM 0 HZ1 LYS A 720 6.840 15.680 55.947 1.00 37.33 H new ATOM 0 HZ2 LYS A 720 6.584 14.929 54.730 1.00 37.33 H new ATOM 0 HZ3 LYS A 720 6.450 16.376 54.732 1.00 37.33 H new ATOM 403 N ALA A 721 -1.024 17.508 54.206 1.00 19.87 N ATOM 404 CA ALA A 721 -1.725 18.787 54.315 1.00 19.57 C ATOM 405 C ALA A 721 -3.226 18.620 54.572 1.00 20.46 C ATOM 406 O ALA A 721 -3.967 19.600 54.639 1.00 19.13 O ATOM 407 CB ALA A 721 -1.513 19.597 53.054 1.00 19.68 C ATOM 0 H ALA A 721 -1.109 17.122 53.442 1.00 19.87 H new ATOM 0 HA ALA A 721 -1.352 19.251 55.081 1.00 19.57 H new ATOM 0 HB1 ALA A 721 -1.980 20.444 53.131 1.00 19.68 H new ATOM 0 HB2 ALA A 721 -0.565 19.761 52.930 1.00 19.68 H new ATOM 0 HB3 ALA A 721 -1.858 19.106 52.292 1.00 19.68 H new ATOM 408 N LEU A 722 -3.674 17.381 54.701 1.00 21.03 N ATOM 409 CA LEU A 722 -5.085 17.125 54.968 1.00 20.93 C ATOM 410 C LEU A 722 -5.421 17.481 56.409 1.00 22.07 C ATOM 411 O LEU A 722 -4.603 17.300 57.313 1.00 18.61 O ATOM 412 CB LEU A 722 -5.415 15.651 54.743 1.00 21.38 C ATOM 413 CG LEU A 722 -5.614 15.161 53.310 1.00 21.73 C ATOM 414 CD1 LEU A 722 -5.658 13.638 53.312 1.00 22.61 C ATOM 415 CD2 LEU A 722 -6.898 15.754 52.732 1.00 21.21 C ATOM 0 H LEU A 722 -3.184 16.677 54.639 1.00 21.03 H new ATOM 0 HA LEU A 722 -5.607 17.672 54.361 1.00 20.93 H new ATOM 0 HB2 LEU A 722 -4.702 15.125 55.139 1.00 21.38 H new ATOM 0 HB3 LEU A 722 -6.224 15.451 55.239 1.00 21.38 H new ATOM 0 HG LEU A 722 -4.877 15.451 52.750 1.00 21.73 H new ATOM 0 HD11 LEU A 722 -5.784 13.317 52.406 1.00 22.61 H new ATOM 0 HD12 LEU A 722 -4.824 13.290 53.665 1.00 22.61 H new ATOM 0 HD13 LEU A 722 -6.394 13.336 53.867 1.00 22.61 H new ATOM 0 HD21 LEU A 722 -7.019 15.440 51.822 1.00 21.21 H new ATOM 0 HD22 LEU A 722 -7.654 15.477 53.273 1.00 21.21 H new ATOM 0 HD23 LEU A 722 -6.837 16.722 52.733 1.00 21.21 H new ATOM 416 N PRO A 723 -6.636 18.002 56.643 1.00 22.24 N ATOM 417 CA PRO A 723 -7.034 18.358 58.003 1.00 23.44 C ATOM 418 C PRO A 723 -6.855 17.161 58.938 1.00 24.55 C ATOM 419 O PRO A 723 -7.312 16.058 58.635 1.00 25.95 O ATOM 420 CB PRO A 723 -8.507 18.735 57.841 1.00 23.39 C ATOM 421 CG PRO A 723 -8.543 19.334 56.483 1.00 22.69 C ATOM 422 CD PRO A 723 -7.673 18.390 55.671 1.00 22.06 C ATOM 0 HA PRO A 723 -6.508 19.073 58.393 1.00 23.44 H new ATOM 0 HB2 PRO A 723 -9.087 17.960 57.909 1.00 23.39 H new ATOM 0 HB3 PRO A 723 -8.795 19.365 58.520 1.00 23.39 H new ATOM 0 HG2 PRO A 723 -9.447 19.379 56.134 1.00 22.69 H new ATOM 0 HG3 PRO A 723 -8.192 20.238 56.480 1.00 22.69 H new ATOM 0 HD2 PRO A 723 -8.173 17.623 55.350 1.00 22.06 H new ATOM 0 HD3 PRO A 723 -7.294 18.827 54.893 1.00 22.06 H new ATOM 423 N GLY A 724 -6.170 17.384 60.058 1.00 24.84 N ATOM 424 CA GLY A 724 -5.956 16.339 61.044 1.00 25.56 C ATOM 425 C GLY A 724 -4.945 15.238 60.778 1.00 26.47 C ATOM 426 O GLY A 724 -4.626 14.473 61.686 1.00 26.26 O ATOM 0 H GLY A 724 -5.820 18.142 60.263 1.00 24.84 H new ATOM 0 HA2 GLY A 724 -5.698 16.773 61.872 1.00 25.56 H new ATOM 0 HA3 GLY A 724 -6.812 15.912 61.202 1.00 25.56 H new ATOM 427 N PHE A 725 -4.427 15.149 59.559 1.00 26.94 N ATOM 428 CA PHE A 725 -3.474 14.093 59.233 1.00 28.04 C ATOM 429 C PHE A 725 -2.229 14.080 60.113 1.00 30.38 C ATOM 430 O PHE A 725 -1.779 13.014 60.529 1.00 29.97 O ATOM 431 CB PHE A 725 -3.046 14.190 57.766 1.00 26.98 C ATOM 432 CG PHE A 725 -2.281 12.994 57.277 1.00 26.04 C ATOM 433 CD1 PHE A 725 -2.933 11.795 56.998 1.00 25.92 C ATOM 434 CD2 PHE A 725 -0.903 13.066 57.087 1.00 26.34 C ATOM 435 CE1 PHE A 725 -2.224 10.684 56.534 1.00 25.39 C ATOM 436 CE2 PHE A 725 -0.187 11.967 56.626 1.00 24.74 C ATOM 437 CZ PHE A 725 -0.847 10.773 56.348 1.00 24.99 C ATOM 0 H PHE A 725 -4.611 15.684 58.911 1.00 26.94 H new ATOM 0 HA PHE A 725 -3.947 13.263 59.401 1.00 28.04 H new ATOM 0 HB2 PHE A 725 -3.836 14.306 57.215 1.00 26.98 H new ATOM 0 HB3 PHE A 725 -2.499 14.983 57.649 1.00 26.98 H new ATOM 0 HD1 PHE A 725 -3.853 11.733 57.122 1.00 25.92 H new ATOM 0 HD2 PHE A 725 -0.456 13.860 57.271 1.00 26.34 H new ATOM 0 HE1 PHE A 725 -2.670 9.889 56.350 1.00 25.39 H new ATOM 0 HE2 PHE A 725 0.733 12.029 56.503 1.00 24.74 H new ATOM 0 HZ PHE A 725 -0.370 10.037 56.039 1.00 24.99 H new ATOM 438 N ARG A 726 -1.672 15.256 60.394 1.00 32.67 N ATOM 439 CA ARG A 726 -0.464 15.347 61.212 1.00 36.19 C ATOM 440 C ARG A 726 -0.662 14.779 62.614 1.00 35.88 C ATOM 441 O ARG A 726 0.310 14.489 63.309 1.00 36.41 O ATOM 442 CB ARG A 726 0.024 16.802 61.303 1.00 38.70 C ATOM 443 CG ARG A 726 0.594 17.372 60.000 1.00 42.62 C ATOM 444 CD ARG A 726 1.794 16.571 59.494 1.00 45.81 C ATOM 445 NE ARG A 726 2.375 17.138 58.274 1.00 47.86 N ATOM 446 CZ ARG A 726 3.381 18.009 58.247 1.00 49.05 C ATOM 447 NH1 ARG A 726 3.938 18.424 59.378 1.00 49.81 N ATOM 448 NH2 ARG A 726 3.832 18.467 57.084 1.00 50.23 N ATOM 0 H ARG A 726 -1.977 16.012 60.121 1.00 32.67 H new ATOM 0 HA ARG A 726 0.210 14.807 60.770 1.00 36.19 H new ATOM 0 HB2 ARG A 726 -0.716 17.361 61.589 1.00 38.70 H new ATOM 0 HB3 ARG A 726 0.705 16.859 61.991 1.00 38.70 H new ATOM 0 HG2 ARG A 726 -0.099 17.377 59.321 1.00 42.62 H new ATOM 0 HG3 ARG A 726 0.859 18.294 60.141 1.00 42.62 H new ATOM 0 HD2 ARG A 726 2.472 16.539 60.187 1.00 45.81 H new ATOM 0 HD3 ARG A 726 1.519 15.657 59.323 1.00 45.81 H new ATOM 0 HE ARG A 726 2.042 16.890 57.521 1.00 47.86 H new ATOM 0 HH11 ARG A 726 3.649 18.130 60.133 1.00 49.81 H new ATOM 0 HH12 ARG A 726 4.588 18.987 59.356 1.00 49.81 H new ATOM 0 HH21 ARG A 726 3.474 18.201 56.349 1.00 50.23 H new ATOM 0 HH22 ARG A 726 4.482 19.030 57.066 1.00 50.23 H new ATOM 449 N ASN A 727 -1.915 14.612 63.028 1.00 35.58 N ATOM 450 CA ASN A 727 -2.203 14.065 64.352 1.00 36.73 C ATOM 451 C ASN A 727 -1.905 12.574 64.457 1.00 34.83 C ATOM 452 O ASN A 727 -1.747 12.044 65.556 1.00 33.59 O ATOM 453 CB ASN A 727 -3.661 14.322 64.734 1.00 40.48 C ATOM 454 CG ASN A 727 -3.872 15.701 65.324 1.00 45.05 C ATOM 455 OD1 ASN A 727 -5.005 16.114 65.583 1.00 48.35 O ATOM 456 ND2 ASN A 727 -2.777 16.422 65.548 1.00 46.74 N ATOM 0 H ASN A 727 -2.610 14.808 62.561 1.00 35.58 H new ATOM 0 HA ASN A 727 -1.613 14.524 64.970 1.00 36.73 H new ATOM 0 HB2 ASN A 727 -4.221 14.221 63.948 1.00 40.48 H new ATOM 0 HB3 ASN A 727 -3.947 13.652 65.375 1.00 40.48 H new ATOM 0 HD21 ASN A 727 -2.843 17.210 65.887 1.00 46.74 H new ATOM 0 HD22 ASN A 727 -2.003 16.100 65.354 1.00 46.74 H new ATOM 457 N LEU A 728 -1.836 11.898 63.316 1.00 31.78 N ATOM 458 CA LEU A 728 -1.536 10.471 63.310 1.00 31.60 C ATOM 459 C LEU A 728 -0.064 10.293 63.643 1.00 30.66 C ATOM 460 O LEU A 728 0.752 11.169 63.355 1.00 28.69 O ATOM 461 CB LEU A 728 -1.787 9.862 61.928 1.00 32.50 C ATOM 462 CG LEU A 728 -3.188 9.842 61.317 1.00 32.55 C ATOM 463 CD1 LEU A 728 -3.097 9.244 59.920 1.00 31.49 C ATOM 464 CD2 LEU A 728 -4.133 9.022 62.180 1.00 34.52 C ATOM 0 H LEU A 728 -1.959 12.244 62.538 1.00 31.78 H new ATOM 0 HA LEU A 728 -2.107 10.029 63.958 1.00 31.60 H new ATOM 0 HB2 LEU A 728 -1.212 10.330 61.303 1.00 32.50 H new ATOM 0 HB3 LEU A 728 -1.480 8.943 61.963 1.00 32.50 H new ATOM 0 HG LEU A 728 -3.537 10.746 61.268 1.00 32.55 H new ATOM 0 HD11 LEU A 728 -3.980 9.224 59.518 1.00 31.49 H new ATOM 0 HD12 LEU A 728 -2.506 9.785 59.374 1.00 31.49 H new ATOM 0 HD13 LEU A 728 -2.748 8.341 59.977 1.00 31.49 H new ATOM 0 HD21 LEU A 728 -5.017 9.019 61.780 1.00 34.52 H new ATOM 0 HD22 LEU A 728 -3.805 8.112 62.245 1.00 34.52 H new ATOM 0 HD23 LEU A 728 -4.182 9.412 63.067 1.00 34.52 H new ATOM 465 N HIS A 729 0.277 9.159 64.244 1.00 31.86 N ATOM 466 CA HIS A 729 1.669 8.881 64.564 1.00 32.38 C ATOM 467 C HIS A 729 2.402 8.876 63.224 1.00 31.63 C ATOM 468 O HIS A 729 1.872 8.382 62.228 1.00 30.80 O ATOM 469 CB HIS A 729 1.800 7.515 65.244 1.00 35.00 C ATOM 470 CG HIS A 729 3.172 7.234 65.772 1.00 37.02 C ATOM 471 ND1 HIS A 729 4.272 7.100 64.952 1.00 37.46 N ATOM 472 CD2 HIS A 729 3.629 7.106 67.040 1.00 38.46 C ATOM 473 CE1 HIS A 729 5.349 6.907 65.692 1.00 38.20 C ATOM 474 NE2 HIS A 729 4.986 6.907 66.963 1.00 39.15 N ATOM 0 H HIS A 729 -0.278 8.543 64.473 1.00 31.86 H new ATOM 0 HA HIS A 729 2.035 9.540 65.175 1.00 32.38 H new ATOM 0 HB2 HIS A 729 1.164 7.464 65.975 1.00 35.00 H new ATOM 0 HB3 HIS A 729 1.558 6.822 64.609 1.00 35.00 H new ATOM 0 HD2 HIS A 729 3.120 7.145 67.817 1.00 38.46 H new ATOM 0 HE1 HIS A 729 6.215 6.791 65.373 1.00 38.20 H new ATOM 0 HE2 HIS A 729 5.514 6.800 67.633 1.00 39.15 H new ATOM 475 N VAL A 730 3.614 9.422 63.190 1.00 30.78 N ATOM 476 CA VAL A 730 4.365 9.476 61.944 1.00 30.14 C ATOM 477 C VAL A 730 4.475 8.126 61.234 1.00 28.97 C ATOM 478 O VAL A 730 4.365 8.058 60.009 1.00 27.91 O ATOM 479 CB VAL A 730 5.786 10.061 62.164 1.00 32.55 C ATOM 480 CG1 VAL A 730 6.589 9.161 63.085 1.00 33.85 C ATOM 481 CG2 VAL A 730 6.486 10.232 60.826 1.00 33.47 C ATOM 0 H VAL A 730 4.015 9.763 63.870 1.00 30.78 H new ATOM 0 HA VAL A 730 3.854 10.064 61.366 1.00 30.14 H new ATOM 0 HB VAL A 730 5.710 10.931 62.586 1.00 32.55 H new ATOM 0 HG11 VAL A 730 7.474 9.537 63.214 1.00 33.85 H new ATOM 0 HG12 VAL A 730 6.140 9.091 63.942 1.00 33.85 H new ATOM 0 HG13 VAL A 730 6.668 8.279 62.688 1.00 33.85 H new ATOM 0 HG21 VAL A 730 7.373 10.598 60.969 1.00 33.47 H new ATOM 0 HG22 VAL A 730 6.559 9.370 60.386 1.00 33.47 H new ATOM 0 HG23 VAL A 730 5.974 10.837 60.267 1.00 33.47 H new ATOM 482 N ASP A 731 4.684 7.050 61.986 1.00 27.58 N ATOM 483 CA ASP A 731 4.791 5.740 61.356 1.00 26.80 C ATOM 484 C ASP A 731 3.472 5.355 60.683 1.00 25.23 C ATOM 485 O ASP A 731 3.469 4.702 59.637 1.00 23.46 O ATOM 486 CB ASP A 731 5.193 4.675 62.376 1.00 29.77 C ATOM 487 CG ASP A 731 6.608 4.875 62.893 1.00 33.35 C ATOM 488 OD1 ASP A 731 7.443 5.427 62.144 1.00 34.32 O ATOM 489 OD2 ASP A 731 6.889 4.469 64.039 1.00 36.64 O ATOM 0 H ASP A 731 4.765 7.055 62.842 1.00 27.58 H new ATOM 0 HA ASP A 731 5.482 5.791 60.678 1.00 26.80 H new ATOM 0 HB2 ASP A 731 4.573 4.694 63.122 1.00 29.77 H new ATOM 0 HB3 ASP A 731 5.121 3.797 61.969 1.00 29.77 H new ATOM 490 N ASP A 732 2.359 5.778 61.279 1.00 23.78 N ATOM 491 CA ASP A 732 1.042 5.485 60.720 1.00 24.28 C ATOM 492 C ASP A 732 0.781 6.356 59.499 1.00 24.16 C ATOM 493 O ASP A 732 0.087 5.944 58.573 1.00 24.12 O ATOM 494 CB ASP A 732 -0.059 5.712 61.760 1.00 24.16 C ATOM 495 CG ASP A 732 0.019 4.730 62.916 1.00 25.01 C ATOM 496 OD1 ASP A 732 0.589 3.636 62.735 1.00 24.00 O ATOM 497 OD2 ASP A 732 -0.504 5.044 64.000 1.00 26.12 O ATOM 0 H ASP A 732 2.345 6.236 62.007 1.00 23.78 H new ATOM 0 HA ASP A 732 1.030 4.552 60.457 1.00 24.28 H new ATOM 0 HB2 ASP A 732 0.007 6.617 62.104 1.00 24.16 H new ATOM 0 HB3 ASP A 732 -0.926 5.634 61.331 1.00 24.16 H new ATOM 498 N GLN A 733 1.323 7.571 59.506 1.00 23.92 N ATOM 499 CA GLN A 733 1.157 8.463 58.363 1.00 23.35 C ATOM 500 C GLN A 733 1.760 7.788 57.133 1.00 24.57 C ATOM 501 O GLN A 733 1.169 7.780 56.051 1.00 22.17 O ATOM 502 CB GLN A 733 1.882 9.786 58.605 1.00 24.50 C ATOM 503 CG GLN A 733 1.208 10.713 59.597 1.00 23.34 C ATOM 504 CD GLN A 733 1.993 11.990 59.807 1.00 23.78 C ATOM 505 OE1 GLN A 733 2.566 12.539 58.862 1.00 25.17 O ATOM 506 NE2 GLN A 733 2.017 12.480 61.044 1.00 23.90 N ATOM 0 H GLN A 733 1.785 7.895 60.155 1.00 23.92 H new ATOM 0 HA GLN A 733 0.213 8.643 58.232 1.00 23.35 H new ATOM 0 HB2 GLN A 733 2.779 9.595 58.920 1.00 24.50 H new ATOM 0 HB3 GLN A 733 1.971 10.250 57.758 1.00 24.50 H new ATOM 0 HG2 GLN A 733 0.317 10.931 59.281 1.00 23.34 H new ATOM 0 HG3 GLN A 733 1.104 10.256 60.446 1.00 23.34 H new ATOM 0 HE21 GLN A 733 1.605 12.069 61.677 1.00 23.90 H new ATOM 0 HE22 GLN A 733 2.444 13.208 61.210 1.00 23.90 H new ATOM 507 N MET A 734 2.950 7.223 57.309 1.00 23.59 N ATOM 508 CA MET A 734 3.639 6.550 56.217 1.00 23.80 C ATOM 509 C MET A 734 2.915 5.278 55.788 1.00 22.92 C ATOM 510 O MET A 734 2.715 5.039 54.599 1.00 23.96 O ATOM 511 CB MET A 734 5.071 6.199 56.633 1.00 24.42 C ATOM 512 CG MET A 734 5.945 7.401 56.917 1.00 28.28 C ATOM 513 SD MET A 734 7.687 6.952 57.175 1.00 31.06 S ATOM 514 CE MET A 734 7.684 6.512 58.877 1.00 33.13 C ATOM 0 H MET A 734 3.376 7.219 58.056 1.00 23.59 H new ATOM 0 HA MET A 734 3.652 7.161 55.464 1.00 23.80 H new ATOM 0 HB2 MET A 734 5.039 5.640 57.425 1.00 24.42 H new ATOM 0 HB3 MET A 734 5.482 5.672 55.930 1.00 24.42 H new ATOM 0 HG2 MET A 734 5.881 8.025 56.177 1.00 28.28 H new ATOM 0 HG3 MET A 734 5.613 7.860 57.704 1.00 28.28 H new ATOM 0 HE1 MET A 734 8.598 6.431 59.192 1.00 33.13 H new ATOM 0 HE2 MET A 734 7.226 7.198 59.388 1.00 33.13 H new ATOM 0 HE3 MET A 734 7.226 5.664 58.991 1.00 33.13 H new ATOM 515 N ALA A 735 2.524 4.465 56.762 1.00 21.83 N ATOM 516 CA ALA A 735 1.838 3.210 56.482 1.00 22.16 C ATOM 517 C ALA A 735 0.539 3.372 55.690 1.00 21.92 C ATOM 518 O ALA A 735 0.322 2.664 54.703 1.00 20.49 O ATOM 519 CB ALA A 735 1.560 2.473 57.792 1.00 23.04 C ATOM 0 H ALA A 735 2.648 4.623 57.598 1.00 21.83 H new ATOM 0 HA ALA A 735 2.434 2.694 55.917 1.00 22.16 H new ATOM 0 HB1 ALA A 735 1.103 1.638 57.603 1.00 23.04 H new ATOM 0 HB2 ALA A 735 2.398 2.288 58.243 1.00 23.04 H new ATOM 0 HB3 ALA A 735 1.002 3.025 58.362 1.00 23.04 H new ATOM 520 N VAL A 736 -0.330 4.287 56.115 1.00 21.80 N ATOM 521 CA VAL A 736 -1.599 4.463 55.404 1.00 23.58 C ATOM 522 C VAL A 736 -1.400 4.888 53.956 1.00 21.78 C ATOM 523 O VAL A 736 -2.172 4.507 53.076 1.00 20.99 O ATOM 524 CB VAL A 736 -2.542 5.471 56.125 1.00 25.54 C ATOM 525 CG1 VAL A 736 -2.866 4.953 57.522 1.00 25.25 C ATOM 526 CG2 VAL A 736 -1.914 6.852 56.187 1.00 27.40 C ATOM 0 H VAL A 736 -0.212 4.803 56.793 1.00 21.80 H new ATOM 0 HA VAL A 736 -2.022 3.590 55.407 1.00 23.58 H new ATOM 0 HB VAL A 736 -3.366 5.550 55.620 1.00 25.54 H new ATOM 0 HG11 VAL A 736 -3.453 5.580 57.972 1.00 25.25 H new ATOM 0 HG12 VAL A 736 -3.306 4.091 57.454 1.00 25.25 H new ATOM 0 HG13 VAL A 736 -2.045 4.858 58.030 1.00 25.25 H new ATOM 0 HG21 VAL A 736 -2.517 7.462 56.639 1.00 27.40 H new ATOM 0 HG22 VAL A 736 -1.077 6.805 56.675 1.00 27.40 H new ATOM 0 HG23 VAL A 736 -1.746 7.172 55.287 1.00 27.40 H new ATOM 527 N ILE A 737 -0.360 5.675 53.707 1.00 21.33 N ATOM 528 CA ILE A 737 -0.053 6.113 52.353 1.00 20.47 C ATOM 529 C ILE A 737 0.507 4.913 51.578 1.00 21.06 C ATOM 530 O ILE A 737 0.153 4.682 50.420 1.00 19.60 O ATOM 531 CB ILE A 737 0.987 7.270 52.368 1.00 19.20 C ATOM 532 CG1 ILE A 737 0.354 8.528 52.968 1.00 21.45 C ATOM 533 CG2 ILE A 737 1.477 7.561 50.951 1.00 20.24 C ATOM 534 CD1 ILE A 737 1.337 9.680 53.177 1.00 22.80 C ATOM 0 H ILE A 737 0.180 5.966 54.309 1.00 21.33 H new ATOM 0 HA ILE A 737 -0.859 6.445 51.927 1.00 20.47 H new ATOM 0 HB ILE A 737 1.745 7.002 52.911 1.00 19.20 H new ATOM 0 HG12 ILE A 737 -0.362 8.828 52.386 1.00 21.45 H new ATOM 0 HG13 ILE A 737 -0.050 8.301 53.820 1.00 21.45 H new ATOM 0 HG21 ILE A 737 2.124 8.283 50.974 1.00 20.24 H new ATOM 0 HG22 ILE A 737 1.893 6.766 50.583 1.00 20.24 H new ATOM 0 HG23 ILE A 737 0.725 7.819 50.395 1.00 20.24 H new ATOM 0 HD11 ILE A 737 0.869 10.440 53.558 1.00 22.80 H new ATOM 0 HD12 ILE A 737 2.042 9.399 53.781 1.00 22.80 H new ATOM 0 HD13 ILE A 737 1.724 9.934 52.325 1.00 22.80 H new ATOM 535 N GLN A 738 1.374 4.140 52.226 1.00 19.50 N ATOM 536 CA GLN A 738 1.964 2.966 51.590 1.00 21.27 C ATOM 537 C GLN A 738 0.907 1.925 51.219 1.00 20.92 C ATOM 538 O GLN A 738 1.078 1.167 50.265 1.00 22.20 O ATOM 539 CB GLN A 738 3.005 2.334 52.516 1.00 22.25 C ATOM 540 CG GLN A 738 4.302 3.130 52.604 1.00 23.31 C ATOM 541 CD GLN A 738 5.195 2.687 53.749 1.00 26.99 C ATOM 542 OE1 GLN A 738 6.414 2.897 53.718 1.00 29.54 O ATOM 543 NE2 GLN A 738 4.600 2.091 54.769 1.00 24.03 N ATOM 0 H GLN A 738 1.634 4.278 53.034 1.00 19.50 H new ATOM 0 HA GLN A 738 2.390 3.263 50.771 1.00 21.27 H new ATOM 0 HB2 GLN A 738 2.626 2.247 53.405 1.00 22.25 H new ATOM 0 HB3 GLN A 738 3.204 1.438 52.203 1.00 22.25 H new ATOM 0 HG2 GLN A 738 4.787 3.041 51.769 1.00 23.31 H new ATOM 0 HG3 GLN A 738 4.091 4.071 52.710 1.00 23.31 H new ATOM 0 HE21 GLN A 738 3.750 1.962 54.755 1.00 24.03 H new ATOM 0 HE22 GLN A 738 5.063 1.833 55.446 1.00 24.03 H new ATOM 544 N TYR A 739 -0.189 1.887 51.966 1.00 20.06 N ATOM 545 CA TYR A 739 -1.235 0.910 51.674 1.00 20.02 C ATOM 546 C TYR A 739 -2.325 1.432 50.749 1.00 21.16 C ATOM 547 O TYR A 739 -2.895 0.663 49.975 1.00 22.20 O ATOM 548 CB TYR A 739 -1.916 0.427 52.960 1.00 23.46 C ATOM 549 CG TYR A 739 -0.998 -0.178 53.998 1.00 27.10 C ATOM 550 CD1 TYR A 739 0.035 -1.043 53.635 1.00 30.07 C ATOM 551 CD2 TYR A 739 -1.180 0.101 55.352 1.00 30.81 C ATOM 552 CE1 TYR A 739 0.871 -1.615 54.605 1.00 32.68 C ATOM 553 CE2 TYR A 739 -0.358 -0.465 56.323 1.00 32.70 C ATOM 554 CZ TYR A 739 0.663 -1.318 55.944 1.00 33.64 C ATOM 555 OH TYR A 739 1.468 -1.871 56.915 1.00 36.85 O ATOM 0 H TYR A 739 -0.347 2.406 52.634 1.00 20.06 H new ATOM 0 HA TYR A 739 -0.773 0.185 51.226 1.00 20.02 H new ATOM 0 HB2 TYR A 739 -2.382 1.177 53.361 1.00 23.46 H new ATOM 0 HB3 TYR A 739 -2.588 -0.231 52.723 1.00 23.46 H new ATOM 0 HD1 TYR A 739 0.171 -1.243 52.737 1.00 30.07 H new ATOM 0 HD2 TYR A 739 -1.863 0.676 55.611 1.00 30.81 H new ATOM 0 HE1 TYR A 739 1.559 -2.188 54.353 1.00 32.68 H new ATOM 0 HE2 TYR A 739 -0.495 -0.270 57.222 1.00 32.70 H new ATOM 0 HH TYR A 739 1.223 -1.599 57.671 1.00 36.85 H new ATOM 556 N SER A 740 -2.604 2.731 50.817 1.00 19.28 N ATOM 557 CA SER A 740 -3.687 3.311 50.029 1.00 19.86 C ATOM 558 C SER A 740 -3.344 4.021 48.728 1.00 19.75 C ATOM 559 O SER A 740 -4.252 4.418 48.002 1.00 17.10 O ATOM 560 CB SER A 740 -4.483 4.292 50.895 1.00 19.49 C ATOM 561 OG ASER A 740 -4.845 3.714 52.131 0.50 21.12 O ATOM 562 OG BSER A 740 -3.686 5.400 51.278 0.50 20.54 O ATOM 0 H SER A 740 -2.179 3.292 51.312 1.00 19.28 H new ATOM 0 HA SER A 740 -4.183 2.525 49.752 1.00 19.86 H new ATOM 0 HB2ASER A 740 -3.954 5.090 51.052 0.50 19.49 H new ATOM 0 HB2BSER A 740 -5.260 4.603 50.405 0.50 19.49 H new ATOM 0 HB3ASER A 740 -5.282 4.570 50.420 0.50 19.49 H new ATOM 0 HB3BSER A 740 -4.810 3.837 51.686 0.50 19.49 H new ATOM 0 HG ASER A 740 -4.204 3.779 52.670 0.50 20.54 H new ATOM 0 HG BSER A 740 -3.020 5.129 51.712 0.50 20.54 H new ATOM 563 N TRP A 741 -2.062 4.186 48.415 1.00 19.02 N ATOM 564 CA TRP A 741 -1.709 4.907 47.197 1.00 18.21 C ATOM 565 C TRP A 741 -2.340 4.368 45.916 1.00 19.62 C ATOM 566 O TRP A 741 -2.791 5.149 45.076 1.00 19.34 O ATOM 567 CB TRP A 741 -0.178 5.008 47.035 1.00 20.49 C ATOM 568 CG TRP A 741 0.519 3.706 46.869 1.00 21.86 C ATOM 569 CD1 TRP A 741 1.019 2.913 47.859 1.00 22.28 C ATOM 570 CD2 TRP A 741 0.795 3.033 45.633 1.00 23.12 C ATOM 571 NE1 TRP A 741 1.593 1.785 47.318 1.00 22.74 N ATOM 572 CE2 TRP A 741 1.469 1.834 45.953 1.00 23.76 C ATOM 573 CE3 TRP A 741 0.537 3.326 44.287 1.00 23.83 C ATOM 574 CZ2 TRP A 741 1.893 0.926 44.973 1.00 24.20 C ATOM 575 CZ3 TRP A 741 0.956 2.422 43.311 1.00 24.47 C ATOM 576 CH2 TRP A 741 1.629 1.236 43.662 1.00 24.34 C ATOM 0 H TRP A 741 -1.398 3.897 48.880 1.00 19.02 H new ATOM 0 HA TRP A 741 -2.090 5.791 47.321 1.00 18.21 H new ATOM 0 HB2 TRP A 741 0.017 5.565 46.265 1.00 20.49 H new ATOM 0 HB3 TRP A 741 0.188 5.459 47.812 1.00 20.49 H new ATOM 0 HD1 TRP A 741 0.978 3.106 48.768 1.00 22.28 H new ATOM 0 HE1 TRP A 741 1.968 1.152 47.763 1.00 22.74 H new ATOM 0 HE3 TRP A 741 0.095 4.109 44.049 1.00 23.83 H new ATOM 0 HZ2 TRP A 741 2.337 0.142 45.203 1.00 24.20 H new ATOM 0 HZ3 TRP A 741 0.788 2.605 42.415 1.00 24.47 H new ATOM 0 HH2 TRP A 741 1.900 0.651 42.992 1.00 24.34 H new ATOM 577 N MET A 742 -2.387 3.049 45.755 1.00 18.31 N ATOM 578 CA MET A 742 -2.986 2.483 44.551 1.00 20.03 C ATOM 579 C MET A 742 -4.444 2.944 44.394 1.00 19.73 C ATOM 580 O MET A 742 -4.821 3.482 43.355 1.00 21.69 O ATOM 581 CB MET A 742 -2.940 0.955 44.592 1.00 17.90 C ATOM 582 CG MET A 742 -3.420 0.294 43.295 1.00 19.17 C ATOM 583 SD MET A 742 -2.263 0.494 41.910 1.00 22.14 S ATOM 584 CE MET A 742 -1.089 -0.859 42.285 1.00 17.90 C ATOM 0 H MET A 742 -2.084 2.474 46.319 1.00 18.31 H new ATOM 0 HA MET A 742 -2.472 2.798 43.791 1.00 20.03 H new ATOM 0 HB2 MET A 742 -2.031 0.671 44.774 1.00 17.90 H new ATOM 0 HB3 MET A 742 -3.488 0.642 45.328 1.00 17.90 H new ATOM 0 HG2 MET A 742 -3.561 -0.652 43.455 1.00 19.17 H new ATOM 0 HG3 MET A 742 -4.279 0.671 43.047 1.00 19.17 H new ATOM 0 HE1 MET A 742 -0.466 -0.961 41.548 1.00 17.90 H new ATOM 0 HE2 MET A 742 -0.599 -0.647 43.095 1.00 17.90 H new ATOM 0 HE3 MET A 742 -1.579 -1.687 42.411 1.00 17.90 H new ATOM 585 N GLY A 743 -5.256 2.732 45.424 1.00 20.54 N ATOM 586 CA GLY A 743 -6.653 3.141 45.353 1.00 20.08 C ATOM 587 C GLY A 743 -6.817 4.632 45.101 1.00 21.34 C ATOM 588 O GLY A 743 -7.636 5.052 44.276 1.00 20.13 O ATOM 0 H GLY A 743 -5.022 2.359 46.163 1.00 20.54 H new ATOM 0 HA2 GLY A 743 -7.095 2.647 44.645 1.00 20.08 H new ATOM 0 HA3 GLY A 743 -7.097 2.906 46.183 1.00 20.08 H new ATOM 589 N LEU A 744 -6.042 5.437 45.822 1.00 20.95 N ATOM 590 CA LEU A 744 -6.083 6.892 45.678 1.00 20.97 C ATOM 591 C LEU A 744 -5.777 7.342 44.252 1.00 20.87 C ATOM 592 O LEU A 744 -6.506 8.156 43.675 1.00 19.08 O ATOM 593 CB LEU A 744 -5.077 7.546 46.632 1.00 22.44 C ATOM 594 CG LEU A 744 -5.396 7.516 48.129 1.00 22.70 C ATOM 595 CD1 LEU A 744 -4.149 7.889 48.922 1.00 19.62 C ATOM 596 CD2 LEU A 744 -6.546 8.486 48.430 1.00 22.02 C ATOM 0 H LEU A 744 -5.478 5.157 46.408 1.00 20.95 H new ATOM 0 HA LEU A 744 -6.986 7.171 45.896 1.00 20.97 H new ATOM 0 HB2 LEU A 744 -4.218 7.116 46.501 1.00 22.44 H new ATOM 0 HB3 LEU A 744 -4.973 8.473 46.367 1.00 22.44 H new ATOM 0 HG LEU A 744 -5.672 6.623 48.389 1.00 22.70 H new ATOM 0 HD11 LEU A 744 -4.351 7.870 49.871 1.00 19.62 H new ATOM 0 HD12 LEU A 744 -3.441 7.254 48.730 1.00 19.62 H new ATOM 0 HD13 LEU A 744 -3.860 8.780 48.671 1.00 19.62 H new ATOM 0 HD21 LEU A 744 -6.747 8.466 49.379 1.00 22.02 H new ATOM 0 HD22 LEU A 744 -6.287 9.385 48.174 1.00 22.02 H new ATOM 0 HD23 LEU A 744 -7.333 8.221 47.928 1.00 22.02 H new ATOM 597 N MET A 745 -4.696 6.811 43.688 1.00 18.91 N ATOM 598 CA MET A 745 -4.285 7.170 42.335 1.00 18.98 C ATOM 599 C MET A 745 -5.246 6.674 41.264 1.00 17.91 C ATOM 600 O MET A 745 -5.489 7.361 40.274 1.00 20.76 O ATOM 601 CB MET A 745 -2.880 6.630 42.059 1.00 17.32 C ATOM 602 CG MET A 745 -1.812 7.278 42.930 1.00 19.97 C ATOM 603 SD MET A 745 -0.158 6.685 42.492 1.00 20.68 S ATOM 604 CE MET A 745 0.813 7.394 43.808 1.00 20.71 C ATOM 0 H MET A 745 -4.185 6.238 44.075 1.00 18.91 H new ATOM 0 HA MET A 745 -4.290 8.139 42.290 1.00 18.98 H new ATOM 0 HB2 MET A 745 -2.873 5.671 42.206 1.00 17.32 H new ATOM 0 HB3 MET A 745 -2.661 6.775 41.125 1.00 17.32 H new ATOM 0 HG2 MET A 745 -1.850 8.242 42.829 1.00 19.97 H new ATOM 0 HG3 MET A 745 -1.991 7.084 43.863 1.00 19.97 H new ATOM 0 HE1 MET A 745 1.706 7.588 43.483 1.00 20.71 H new ATOM 0 HE2 MET A 745 0.395 8.214 44.113 1.00 20.71 H new ATOM 0 HE3 MET A 745 0.867 6.766 44.545 1.00 20.71 H new ATOM 605 N VAL A 746 -5.785 5.477 41.458 1.00 19.07 N ATOM 606 CA VAL A 746 -6.728 4.910 40.502 1.00 20.40 C ATOM 607 C VAL A 746 -8.013 5.733 40.499 1.00 20.01 C ATOM 608 O VAL A 746 -8.600 5.986 39.447 1.00 21.62 O ATOM 609 CB VAL A 746 -7.053 3.437 40.859 1.00 22.68 C ATOM 610 CG1 VAL A 746 -8.274 2.958 40.090 1.00 22.53 C ATOM 611 CG2 VAL A 746 -5.850 2.551 40.529 1.00 21.23 C ATOM 0 H VAL A 746 -5.618 4.976 42.137 1.00 19.07 H new ATOM 0 HA VAL A 746 -6.324 4.932 39.620 1.00 20.40 H new ATOM 0 HB VAL A 746 -7.245 3.381 41.808 1.00 22.68 H new ATOM 0 HG11 VAL A 746 -8.463 2.036 40.325 1.00 22.53 H new ATOM 0 HG12 VAL A 746 -9.037 3.512 40.317 1.00 22.53 H new ATOM 0 HG13 VAL A 746 -8.102 3.020 39.137 1.00 22.53 H new ATOM 0 HG21 VAL A 746 -6.055 1.630 40.753 1.00 21.23 H new ATOM 0 HG22 VAL A 746 -5.650 2.616 39.582 1.00 21.23 H new ATOM 0 HG23 VAL A 746 -5.081 2.845 41.042 1.00 21.23 H new ATOM 612 N PHE A 747 -8.438 6.155 41.683 1.00 20.34 N ATOM 613 CA PHE A 747 -9.657 6.949 41.827 1.00 20.65 C ATOM 614 C PHE A 747 -9.487 8.311 41.155 1.00 21.50 C ATOM 615 O PHE A 747 -10.371 8.772 40.430 1.00 19.08 O ATOM 616 CB PHE A 747 -9.979 7.133 43.310 1.00 20.31 C ATOM 617 CG PHE A 747 -11.355 7.688 43.576 1.00 20.00 C ATOM 618 CD1 PHE A 747 -12.491 6.940 43.276 1.00 20.15 C ATOM 619 CD2 PHE A 747 -11.512 8.938 44.165 1.00 20.08 C ATOM 620 CE1 PHE A 747 -13.766 7.430 43.565 1.00 21.76 C ATOM 621 CE2 PHE A 747 -12.785 9.437 44.458 1.00 22.51 C ATOM 622 CZ PHE A 747 -13.912 8.679 44.157 1.00 21.65 C ATOM 0 H PHE A 747 -8.032 5.992 42.424 1.00 20.34 H new ATOM 0 HA PHE A 747 -10.390 6.482 41.396 1.00 20.65 H new ATOM 0 HB2 PHE A 747 -9.894 6.277 43.758 1.00 20.31 H new ATOM 0 HB3 PHE A 747 -9.320 7.726 43.703 1.00 20.31 H new ATOM 0 HD1 PHE A 747 -12.399 6.104 42.878 1.00 20.15 H new ATOM 0 HD2 PHE A 747 -10.761 9.448 44.366 1.00 20.08 H new ATOM 0 HE1 PHE A 747 -14.517 6.921 43.361 1.00 21.76 H new ATOM 0 HE2 PHE A 747 -12.878 10.274 44.853 1.00 22.51 H new ATOM 0 HZ PHE A 747 -14.760 9.007 44.351 1.00 21.65 H new ATOM 623 N ALA A 748 -8.346 8.954 41.396 1.00 19.88 N ATOM 624 CA ALA A 748 -8.073 10.255 40.796 1.00 20.36 C ATOM 625 C ALA A 748 -7.971 10.119 39.279 1.00 20.20 C ATOM 626 O ALA A 748 -8.407 10.999 38.535 1.00 19.32 O ATOM 627 CB ALA A 748 -6.769 10.839 41.362 1.00 20.26 C ATOM 0 H ALA A 748 -7.719 8.654 41.903 1.00 19.88 H new ATOM 0 HA ALA A 748 -8.803 10.857 41.010 1.00 20.36 H new ATOM 0 HB1 ALA A 748 -6.598 11.703 40.956 1.00 20.26 H new ATOM 0 HB2 ALA A 748 -6.852 10.944 42.323 1.00 20.26 H new ATOM 0 HB3 ALA A 748 -6.033 10.239 41.165 1.00 20.26 H new ATOM 628 N MET A 749 -7.398 9.010 38.821 1.00 20.28 N ATOM 629 CA MET A 749 -7.232 8.775 37.390 1.00 19.59 C ATOM 630 C MET A 749 -8.598 8.617 36.722 1.00 20.31 C ATOM 631 O MET A 749 -8.818 9.104 35.612 1.00 21.78 O ATOM 632 CB MET A 749 -6.366 7.523 37.170 1.00 20.59 C ATOM 633 CG MET A 749 -5.964 7.242 35.725 1.00 21.75 C ATOM 634 SD MET A 749 -7.256 6.418 34.767 1.00 23.05 S ATOM 635 CE MET A 749 -7.239 4.797 35.518 1.00 25.11 C ATOM 0 H MET A 749 -7.098 8.380 39.323 1.00 20.28 H new ATOM 0 HA MET A 749 -6.785 9.536 36.987 1.00 19.59 H new ATOM 0 HB2 MET A 749 -5.559 7.610 37.702 1.00 20.59 H new ATOM 0 HB3 MET A 749 -6.848 6.753 37.510 1.00 20.59 H new ATOM 0 HG2 MET A 749 -5.734 8.079 35.292 1.00 21.75 H new ATOM 0 HG3 MET A 749 -5.166 6.691 35.720 1.00 21.75 H new ATOM 0 HE1 MET A 749 -7.249 4.119 34.825 1.00 25.11 H new ATOM 0 HE2 MET A 749 -6.438 4.698 36.056 1.00 25.11 H new ATOM 0 HE3 MET A 749 -8.021 4.693 36.082 1.00 25.11 H new ATOM 636 N GLY A 750 -9.514 7.941 37.407 1.00 20.27 N ATOM 637 CA GLY A 750 -10.848 7.750 36.863 1.00 21.64 C ATOM 638 C GLY A 750 -11.551 9.083 36.708 1.00 21.12 C ATOM 639 O GLY A 750 -12.264 9.310 35.733 1.00 22.15 O ATOM 0 H GLY A 750 -9.383 7.589 38.181 1.00 20.27 H new ATOM 0 HA2 GLY A 750 -10.792 7.305 36.003 1.00 21.64 H new ATOM 0 HA3 GLY A 750 -11.363 7.172 37.448 1.00 21.64 H new ATOM 640 N TRP A 751 -11.345 9.975 37.672 1.00 21.66 N ATOM 641 CA TRP A 751 -11.961 11.295 37.630 1.00 22.08 C ATOM 642 C TRP A 751 -11.358 12.102 36.481 1.00 23.80 C ATOM 643 O TRP A 751 -12.082 12.772 35.744 1.00 22.22 O ATOM 644 CB TRP A 751 -11.770 12.000 38.980 1.00 22.72 C ATOM 645 CG TRP A 751 -12.306 13.401 39.047 1.00 21.46 C ATOM 646 CD1 TRP A 751 -11.579 14.551 39.013 1.00 22.49 C ATOM 647 CD2 TRP A 751 -13.681 13.797 39.166 1.00 23.33 C ATOM 648 NE1 TRP A 751 -12.409 15.640 39.106 1.00 24.23 N ATOM 649 CE2 TRP A 751 -13.705 15.208 39.201 1.00 23.87 C ATOM 650 CE3 TRP A 751 -14.892 13.098 39.246 1.00 25.33 C ATOM 651 CZ2 TRP A 751 -14.897 15.940 39.314 1.00 24.46 C ATOM 652 CZ3 TRP A 751 -16.081 13.826 39.357 1.00 25.19 C ATOM 653 CH2 TRP A 751 -16.071 15.232 39.390 1.00 24.38 C ATOM 0 H TRP A 751 -10.850 9.834 38.361 1.00 21.66 H new ATOM 0 HA TRP A 751 -12.914 11.212 37.472 1.00 22.08 H new ATOM 0 HB2 TRP A 751 -12.200 11.470 39.670 1.00 22.72 H new ATOM 0 HB3 TRP A 751 -10.823 12.020 39.188 1.00 22.72 H new ATOM 0 HD1 TRP A 751 -10.653 14.593 38.938 1.00 22.49 H new ATOM 0 HE1 TRP A 751 -12.156 16.462 39.105 1.00 24.23 H new ATOM 0 HE3 TRP A 751 -14.905 12.168 39.226 1.00 25.33 H new ATOM 0 HZ2 TRP A 751 -14.892 16.870 39.337 1.00 24.46 H new ATOM 0 HZ3 TRP A 751 -16.891 13.373 39.410 1.00 25.19 H new ATOM 0 HH2 TRP A 751 -16.876 15.692 39.465 1.00 24.38 H new ATOM 654 N ARG A 752 -10.038 12.025 36.309 1.00 22.87 N ATOM 655 CA ARG A 752 -9.389 12.736 35.210 1.00 24.43 C ATOM 656 C ARG A 752 -9.933 12.232 33.876 1.00 24.00 C ATOM 657 O ARG A 752 -10.182 13.018 32.958 1.00 24.79 O ATOM 658 CB ARG A 752 -7.867 12.513 35.217 1.00 22.67 C ATOM 659 CG ARG A 752 -7.116 13.245 36.304 1.00 25.54 C ATOM 660 CD ARG A 752 -5.614 13.286 35.992 1.00 24.61 C ATOM 661 NE ARG A 752 -4.983 11.969 36.016 1.00 22.73 N ATOM 662 CZ ARG A 752 -4.621 11.330 37.127 1.00 23.70 C ATOM 663 NH1 ARG A 752 -4.824 11.884 38.316 1.00 22.77 N ATOM 664 NH2 ARG A 752 -4.049 10.135 37.050 1.00 22.26 N ATOM 0 H ARG A 752 -9.507 11.572 36.811 1.00 22.87 H new ATOM 0 HA ARG A 752 -9.575 13.681 35.325 1.00 24.43 H new ATOM 0 HB2 ARG A 752 -7.694 11.563 35.307 1.00 22.67 H new ATOM 0 HB3 ARG A 752 -7.510 12.786 34.357 1.00 22.67 H new ATOM 0 HG2 ARG A 752 -7.458 14.149 36.388 1.00 25.54 H new ATOM 0 HG3 ARG A 752 -7.262 12.806 37.157 1.00 25.54 H new ATOM 0 HD2 ARG A 752 -5.482 13.685 35.118 1.00 24.61 H new ATOM 0 HD3 ARG A 752 -5.172 13.861 36.636 1.00 24.61 H new ATOM 0 HE ARG A 752 -4.835 11.581 35.263 1.00 22.73 H new ATOM 0 HH11 ARG A 752 -5.191 12.660 38.372 1.00 22.77 H new ATOM 0 HH12 ARG A 752 -4.588 11.467 39.030 1.00 22.77 H new ATOM 0 HH21 ARG A 752 -3.912 9.773 36.282 1.00 22.26 H new ATOM 0 HH22 ARG A 752 -3.815 9.723 37.768 1.00 22.26 H new ATOM 665 N SER A 753 -10.095 10.916 33.772 1.00 23.00 N ATOM 666 CA SER A 753 -10.594 10.295 32.548 1.00 24.23 C ATOM 667 C SER A 753 -11.992 10.815 32.232 1.00 25.26 C ATOM 668 O SER A 753 -12.303 11.161 31.090 1.00 25.09 O ATOM 669 CB SER A 753 -10.630 8.773 32.702 1.00 25.77 C ATOM 670 OG SER A 753 -9.331 8.252 32.929 1.00 25.79 O ATOM 0 H SER A 753 -9.920 10.361 34.405 1.00 23.00 H new ATOM 0 HA SER A 753 -9.997 10.523 31.818 1.00 24.23 H new ATOM 0 HB2 SER A 753 -11.211 8.533 33.441 1.00 25.77 H new ATOM 0 HB3 SER A 753 -11.007 8.373 31.903 1.00 25.77 H new ATOM 0 HG SER A 753 -9.080 8.452 33.705 1.00 25.79 H new ATOM 671 N PHE A 754 -12.830 10.868 33.256 1.00 24.32 N ATOM 672 CA PHE A 754 -14.192 11.353 33.100 1.00 25.12 C ATOM 673 C PHE A 754 -14.235 12.825 32.689 1.00 26.49 C ATOM 674 O PHE A 754 -14.848 13.182 31.682 1.00 26.68 O ATOM 675 CB PHE A 754 -14.960 11.160 34.411 1.00 26.05 C ATOM 676 CG PHE A 754 -16.285 11.866 34.445 1.00 28.40 C ATOM 677 CD1 PHE A 754 -16.506 12.908 35.342 1.00 29.71 C ATOM 678 CD2 PHE A 754 -17.301 11.509 33.562 1.00 29.06 C ATOM 679 CE1 PHE A 754 -17.727 13.590 35.358 1.00 31.34 C ATOM 680 CE2 PHE A 754 -18.526 12.185 33.569 1.00 30.56 C ATOM 681 CZ PHE A 754 -18.737 13.225 34.467 1.00 28.97 C ATOM 0 H PHE A 754 -12.628 10.626 34.056 1.00 24.32 H new ATOM 0 HA PHE A 754 -14.608 10.839 32.390 1.00 25.12 H new ATOM 0 HB2 PHE A 754 -15.104 10.212 34.555 1.00 26.05 H new ATOM 0 HB3 PHE A 754 -14.414 11.479 35.146 1.00 26.05 H new ATOM 0 HD1 PHE A 754 -15.834 13.153 35.937 1.00 29.71 H new ATOM 0 HD2 PHE A 754 -17.164 10.813 32.961 1.00 29.06 H new ATOM 0 HE1 PHE A 754 -17.865 14.285 35.961 1.00 31.34 H new ATOM 0 HE2 PHE A 754 -19.197 11.939 32.974 1.00 30.56 H new ATOM 0 HZ PHE A 754 -19.550 13.677 34.474 1.00 28.97 H new ATOM 682 N THR A 755 -13.568 13.678 33.459 1.00 27.80 N ATOM 683 CA THR A 755 -13.575 15.107 33.175 1.00 29.89 C ATOM 684 C THR A 755 -12.844 15.531 31.902 1.00 30.09 C ATOM 685 O THR A 755 -13.283 16.450 31.211 1.00 29.87 O ATOM 686 CB THR A 755 -12.997 15.906 34.359 1.00 31.50 C ATOM 687 OG1 THR A 755 -11.594 15.646 34.482 1.00 32.68 O ATOM 688 CG2 THR A 755 -13.692 15.503 35.649 1.00 29.70 C ATOM 0 H THR A 755 -13.107 13.450 34.148 1.00 27.80 H new ATOM 0 HA THR A 755 -14.513 15.309 33.033 1.00 29.89 H new ATOM 0 HB THR A 755 -13.141 16.851 34.196 1.00 31.50 H new ATOM 0 HG1 THR A 755 -11.478 14.874 34.793 1.00 32.68 H new ATOM 0 HG21 THR A 755 -13.322 16.010 36.388 1.00 29.70 H new ATOM 0 HG22 THR A 755 -14.642 15.685 35.576 1.00 29.70 H new ATOM 0 HG23 THR A 755 -13.556 14.556 35.808 1.00 29.70 H new ATOM 689 N ASN A 756 -11.744 14.859 31.580 1.00 29.72 N ATOM 690 CA ASN A 756 -10.965 15.219 30.402 1.00 30.54 C ATOM 691 C ASN A 756 -11.409 14.595 29.079 1.00 30.26 C ATOM 692 O ASN A 756 -11.454 15.280 28.057 1.00 31.39 O ATOM 693 CB ASN A 756 -9.485 14.900 30.650 1.00 32.24 C ATOM 694 CG ASN A 756 -8.909 15.680 31.825 1.00 34.51 C ATOM 695 OD1 ASN A 756 -7.801 15.404 32.291 1.00 37.23 O ATOM 696 ND2 ASN A 756 -9.662 16.659 32.308 1.00 37.65 N ATOM 0 H ASN A 756 -11.433 14.194 32.028 1.00 29.72 H new ATOM 0 HA ASN A 756 -11.119 16.170 30.287 1.00 30.54 H new ATOM 0 HB2 ASN A 756 -9.386 13.950 30.817 1.00 32.24 H new ATOM 0 HB3 ASN A 756 -8.975 15.103 29.850 1.00 32.24 H new ATOM 0 HD21 ASN A 756 -9.382 17.129 32.971 1.00 37.65 H new ATOM 0 HD22 ASN A 756 -10.430 16.823 31.958 1.00 37.65 H new ATOM 697 N VAL A 757 -11.742 13.309 29.087 1.00 30.51 N ATOM 698 CA VAL A 757 -12.139 12.636 27.852 1.00 30.26 C ATOM 699 C VAL A 757 -13.441 11.854 27.951 1.00 30.36 C ATOM 700 O VAL A 757 -13.656 10.901 27.201 1.00 30.65 O ATOM 701 CB VAL A 757 -11.033 11.677 27.379 1.00 30.28 C ATOM 702 CG1 VAL A 757 -9.787 12.473 27.001 1.00 30.40 C ATOM 703 CG2 VAL A 757 -10.701 10.685 28.484 1.00 28.16 C ATOM 0 H VAL A 757 -11.745 12.811 29.788 1.00 30.51 H new ATOM 0 HA VAL A 757 -12.282 13.352 27.214 1.00 30.26 H new ATOM 0 HB VAL A 757 -11.345 11.189 26.601 1.00 30.28 H new ATOM 0 HG11 VAL A 757 -9.092 11.865 26.703 1.00 30.40 H new ATOM 0 HG12 VAL A 757 -10.003 13.092 26.286 1.00 30.40 H new ATOM 0 HG13 VAL A 757 -9.473 12.969 27.773 1.00 30.40 H new ATOM 0 HG21 VAL A 757 -10.003 10.083 28.180 1.00 28.16 H new ATOM 0 HG22 VAL A 757 -10.394 11.165 29.269 1.00 28.16 H new ATOM 0 HG23 VAL A 757 -11.494 10.173 28.708 1.00 28.16 H new ATOM 704 N ASN A 758 -14.306 12.266 28.870 1.00 31.35 N ATOM 705 CA ASN A 758 -15.593 11.611 29.073 1.00 31.43 C ATOM 706 C ASN A 758 -15.467 10.088 29.114 1.00 30.82 C ATOM 707 O ASN A 758 -16.275 9.368 28.529 1.00 29.10 O ATOM 708 CB ASN A 758 -16.580 12.040 27.978 1.00 35.25 C ATOM 709 CG ASN A 758 -18.017 11.647 28.296 1.00 38.57 C ATOM 710 OD1 ASN A 758 -18.427 11.631 29.460 1.00 39.63 O ATOM 711 ND2 ASN A 758 -18.795 11.348 27.259 1.00 41.12 N ATOM 0 H ASN A 758 -14.164 12.933 29.394 1.00 31.35 H new ATOM 0 HA ASN A 758 -15.931 11.891 29.938 1.00 31.43 H new ATOM 0 HB2 ASN A 758 -16.530 13.002 27.861 1.00 35.25 H new ATOM 0 HB3 ASN A 758 -16.317 11.638 27.135 1.00 35.25 H new ATOM 0 HD21 ASN A 758 -19.618 11.133 27.387 1.00 41.12 H new ATOM 0 HD22 ASN A 758 -18.475 11.370 26.461 1.00 41.12 H new ATOM 712 N SER A 759 -14.435 9.607 29.804 1.00 29.67 N ATOM 713 CA SER A 759 -14.201 8.175 29.962 1.00 28.46 C ATOM 714 C SER A 759 -13.942 7.403 28.667 1.00 27.99 C ATOM 715 O SER A 759 -14.006 6.175 28.656 1.00 28.85 O ATOM 716 CB SER A 759 -15.389 7.544 30.701 1.00 30.49 C ATOM 717 OG SER A 759 -15.695 8.277 31.877 1.00 30.41 O ATOM 0 H SER A 759 -13.851 10.103 30.194 1.00 29.67 H new ATOM 0 HA SER A 759 -13.378 8.105 30.471 1.00 28.46 H new ATOM 0 HB2 SER A 759 -16.164 7.521 30.118 1.00 30.49 H new ATOM 0 HB3 SER A 759 -15.181 6.625 30.932 1.00 30.49 H new ATOM 0 HG SER A 759 -15.152 8.072 32.484 1.00 30.41 H new ATOM 718 N ARG A 760 -13.648 8.115 27.582 1.00 28.74 N ATOM 719 CA ARG A 760 -13.379 7.480 26.294 1.00 29.99 C ATOM 720 C ARG A 760 -12.045 6.729 26.346 1.00 29.87 C ATOM 721 O ARG A 760 -11.820 5.779 25.594 1.00 28.26 O ATOM 722 CB ARG A 760 -13.342 8.532 25.175 1.00 34.17 C ATOM 723 CG ARG A 760 -13.073 7.952 23.790 1.00 39.89 C ATOM 724 CD ARG A 760 -13.209 8.984 22.662 1.00 43.30 C ATOM 725 NE ARG A 760 -12.125 9.967 22.632 1.00 46.53 N ATOM 726 CZ ARG A 760 -12.166 11.156 23.226 1.00 47.99 C ATOM 727 NH1 ARG A 760 -13.244 11.528 23.908 1.00 50.25 N ATOM 728 NH2 ARG A 760 -11.131 11.979 23.133 1.00 49.24 N ATOM 0 H ARG A 760 -13.599 8.974 27.571 1.00 28.74 H new ATOM 0 HA ARG A 760 -14.092 6.849 26.106 1.00 29.99 H new ATOM 0 HB2 ARG A 760 -14.189 9.004 25.159 1.00 34.17 H new ATOM 0 HB3 ARG A 760 -12.656 9.186 25.381 1.00 34.17 H new ATOM 0 HG2 ARG A 760 -12.178 7.578 23.771 1.00 39.89 H new ATOM 0 HG3 ARG A 760 -13.690 7.221 23.627 1.00 39.89 H new ATOM 0 HD2 ARG A 760 -13.238 8.520 21.811 1.00 43.30 H new ATOM 0 HD3 ARG A 760 -14.055 9.449 22.760 1.00 43.30 H new ATOM 0 HE ARG A 760 -11.411 9.761 22.199 1.00 46.53 H new ATOM 0 HH11 ARG A 760 -13.919 10.999 23.967 1.00 50.25 H new ATOM 0 HH12 ARG A 760 -13.266 12.298 24.291 1.00 50.25 H new ATOM 0 HH21 ARG A 760 -10.433 11.744 22.689 1.00 49.24 H new ATOM 0 HH22 ARG A 760 -11.157 12.748 23.517 1.00 49.24 H new ATOM 729 N MET A 761 -11.164 7.171 27.238 1.00 27.71 N ATOM 730 CA MET A 761 -9.855 6.552 27.416 1.00 26.57 C ATOM 731 C MET A 761 -9.418 6.722 28.866 1.00 25.25 C ATOM 732 O MET A 761 -10.034 7.481 29.618 1.00 23.12 O ATOM 733 CB MET A 761 -8.825 7.213 26.494 1.00 28.40 C ATOM 734 CG MET A 761 -9.153 7.089 25.015 1.00 32.76 C ATOM 735 SD MET A 761 -7.971 7.950 23.974 1.00 37.86 S ATOM 736 CE MET A 761 -8.552 9.651 24.146 1.00 37.72 C ATOM 0 H MET A 761 -11.309 7.840 27.758 1.00 27.71 H new ATOM 0 HA MET A 761 -9.915 5.610 27.194 1.00 26.57 H new ATOM 0 HB2 MET A 761 -8.755 8.153 26.723 1.00 28.40 H new ATOM 0 HB3 MET A 761 -7.955 6.816 26.658 1.00 28.40 H new ATOM 0 HG2 MET A 761 -9.173 6.151 24.769 1.00 32.76 H new ATOM 0 HG3 MET A 761 -10.041 7.444 24.853 1.00 32.76 H new ATOM 0 HE1 MET A 761 -8.814 9.993 23.277 1.00 37.72 H new ATOM 0 HE2 MET A 761 -9.314 9.674 24.745 1.00 37.72 H new ATOM 0 HE3 MET A 761 -7.840 10.201 24.508 1.00 37.72 H new ATOM 737 N LEU A 762 -8.366 6.009 29.261 1.00 22.96 N ATOM 738 CA LEU A 762 -7.845 6.129 30.619 1.00 22.53 C ATOM 739 C LEU A 762 -6.765 7.199 30.585 1.00 22.59 C ATOM 740 O LEU A 762 -5.716 7.027 29.949 1.00 23.62 O ATOM 741 CB LEU A 762 -7.269 4.797 31.100 1.00 22.89 C ATOM 742 CG LEU A 762 -8.317 3.700 31.335 1.00 22.37 C ATOM 743 CD1 LEU A 762 -7.652 2.465 31.909 1.00 23.14 C ATOM 744 CD2 LEU A 762 -9.389 4.210 32.299 1.00 21.64 C ATOM 0 H LEU A 762 -7.942 5.453 28.761 1.00 22.96 H new ATOM 0 HA LEU A 762 -8.552 6.371 31.237 1.00 22.53 H new ATOM 0 HB2 LEU A 762 -6.626 4.480 30.446 1.00 22.89 H new ATOM 0 HB3 LEU A 762 -6.783 4.947 31.926 1.00 22.89 H new ATOM 0 HG LEU A 762 -8.732 3.470 30.489 1.00 22.37 H new ATOM 0 HD11 LEU A 762 -8.319 1.776 32.055 1.00 23.14 H new ATOM 0 HD12 LEU A 762 -6.982 2.139 31.287 1.00 23.14 H new ATOM 0 HD13 LEU A 762 -7.228 2.688 32.753 1.00 23.14 H new ATOM 0 HD21 LEU A 762 -10.050 3.515 32.446 1.00 21.64 H new ATOM 0 HD22 LEU A 762 -8.977 4.448 33.145 1.00 21.64 H new ATOM 0 HD23 LEU A 762 -9.821 4.991 31.919 1.00 21.64 H new ATOM 745 N TYR A 763 -7.043 8.303 31.270 1.00 21.68 N ATOM 746 CA TYR A 763 -6.155 9.455 31.326 1.00 21.94 C ATOM 747 C TYR A 763 -5.184 9.378 32.505 1.00 21.81 C ATOM 748 O TYR A 763 -5.334 10.084 33.503 1.00 21.50 O ATOM 749 CB TYR A 763 -7.009 10.728 31.409 1.00 22.37 C ATOM 750 CG TYR A 763 -6.312 12.018 31.022 1.00 22.73 C ATOM 751 CD1 TYR A 763 -5.544 12.726 31.944 1.00 24.51 C ATOM 752 CD2 TYR A 763 -6.447 12.545 29.737 1.00 23.90 C ATOM 753 CE1 TYR A 763 -4.934 13.931 31.598 1.00 25.71 C ATOM 754 CE2 TYR A 763 -5.839 13.748 29.380 1.00 23.80 C ATOM 755 CZ TYR A 763 -5.088 14.435 30.319 1.00 25.80 C ATOM 756 OH TYR A 763 -4.512 15.639 29.990 1.00 28.51 O ATOM 0 H TYR A 763 -7.767 8.404 31.723 1.00 21.68 H new ATOM 0 HA TYR A 763 -5.612 9.468 30.522 1.00 21.94 H new ATOM 0 HB2 TYR A 763 -7.784 10.615 30.837 1.00 22.37 H new ATOM 0 HB3 TYR A 763 -7.338 10.818 32.317 1.00 22.37 H new ATOM 0 HD1 TYR A 763 -5.437 12.389 32.804 1.00 24.51 H new ATOM 0 HD2 TYR A 763 -6.952 12.085 29.106 1.00 23.90 H new ATOM 0 HE1 TYR A 763 -4.426 14.394 32.224 1.00 25.71 H new ATOM 0 HE2 TYR A 763 -5.937 14.086 28.519 1.00 23.80 H new ATOM 0 HH TYR A 763 -4.683 15.822 29.188 1.00 28.51 H new ATOM 757 N PHE A 764 -4.189 8.507 32.388 1.00 20.45 N ATOM 758 CA PHE A 764 -3.199 8.363 33.450 1.00 19.87 C ATOM 759 C PHE A 764 -2.462 9.691 33.608 1.00 19.97 C ATOM 760 O PHE A 764 -2.219 10.160 34.719 1.00 19.55 O ATOM 761 CB PHE A 764 -2.217 7.244 33.100 1.00 19.85 C ATOM 762 CG PHE A 764 -2.820 5.869 33.148 1.00 18.65 C ATOM 763 CD1 PHE A 764 -3.069 5.247 34.369 1.00 17.93 C ATOM 764 CD2 PHE A 764 -3.145 5.196 31.974 1.00 20.27 C ATOM 765 CE1 PHE A 764 -3.634 3.972 34.423 1.00 20.54 C ATOM 766 CE2 PHE A 764 -3.712 3.915 32.017 1.00 21.19 C ATOM 767 CZ PHE A 764 -3.956 3.304 33.244 1.00 20.03 C ATOM 0 H PHE A 764 -4.069 7.994 31.709 1.00 20.45 H new ATOM 0 HA PHE A 764 -3.635 8.131 34.285 1.00 19.87 H new ATOM 0 HB2 PHE A 764 -1.864 7.402 32.210 1.00 19.85 H new ATOM 0 HB3 PHE A 764 -1.467 7.280 33.714 1.00 19.85 H new ATOM 0 HD1 PHE A 764 -2.856 5.688 35.160 1.00 17.93 H new ATOM 0 HD2 PHE A 764 -2.984 5.601 31.152 1.00 20.27 H new ATOM 0 HE1 PHE A 764 -3.795 3.569 35.245 1.00 20.54 H new ATOM 0 HE2 PHE A 764 -3.925 3.474 31.227 1.00 21.19 H new ATOM 0 HZ PHE A 764 -4.332 2.454 33.276 1.00 20.03 H new ATOM 768 N ALA A 765 -2.125 10.303 32.480 1.00 19.83 N ATOM 769 CA ALA A 765 -1.422 11.582 32.481 1.00 20.31 C ATOM 770 C ALA A 765 -1.614 12.206 31.113 1.00 19.65 C ATOM 771 O ALA A 765 -1.997 11.524 30.166 1.00 19.51 O ATOM 772 CB ALA A 765 0.066 11.365 32.764 1.00 21.05 C ATOM 0 H ALA A 765 -2.295 9.992 31.696 1.00 19.83 H new ATOM 0 HA ALA A 765 -1.772 12.166 33.172 1.00 20.31 H new ATOM 0 HB1 ALA A 765 0.524 12.220 32.763 1.00 21.05 H new ATOM 0 HB2 ALA A 765 0.173 10.943 33.631 1.00 21.05 H new ATOM 0 HB3 ALA A 765 0.446 10.794 32.078 1.00 21.05 H new ATOM 773 N PRO A 766 -1.359 13.515 30.990 1.00 21.57 N ATOM 774 CA PRO A 766 -1.520 14.191 29.700 1.00 23.19 C ATOM 775 C PRO A 766 -0.741 13.492 28.590 1.00 23.46 C ATOM 776 O PRO A 766 -1.185 13.437 27.445 1.00 21.71 O ATOM 777 CB PRO A 766 -0.985 15.595 29.983 1.00 24.45 C ATOM 778 CG PRO A 766 -1.347 15.800 31.414 1.00 24.74 C ATOM 779 CD PRO A 766 -0.967 14.475 32.039 1.00 22.22 C ATOM 0 HA PRO A 766 -2.436 14.192 29.381 1.00 23.19 H new ATOM 0 HB2 PRO A 766 -0.027 15.651 29.842 1.00 24.45 H new ATOM 0 HB3 PRO A 766 -1.396 16.260 29.408 1.00 24.45 H new ATOM 0 HG2 PRO A 766 -0.858 16.539 31.808 1.00 24.74 H new ATOM 0 HG3 PRO A 766 -2.291 15.994 31.524 1.00 24.74 H new ATOM 0 HD2 PRO A 766 -0.019 14.427 32.239 1.00 22.22 H new ATOM 0 HD3 PRO A 766 -1.441 14.317 32.871 1.00 22.22 H new ATOM 780 N ASP A 767 0.420 12.948 28.944 1.00 23.15 N ATOM 781 CA ASP A 767 1.278 12.272 27.982 1.00 23.66 C ATOM 782 C ASP A 767 1.211 10.752 28.086 1.00 24.01 C ATOM 783 O ASP A 767 2.081 10.045 27.573 1.00 22.15 O ATOM 784 CB ASP A 767 2.725 12.747 28.166 1.00 24.83 C ATOM 785 CG ASP A 767 3.281 12.412 29.537 1.00 27.15 C ATOM 786 OD1 ASP A 767 2.485 12.274 30.490 1.00 23.89 O ATOM 787 OD2 ASP A 767 4.523 12.301 29.665 1.00 29.21 O ATOM 0 H ASP A 767 0.730 12.961 29.746 1.00 23.15 H new ATOM 0 HA ASP A 767 0.955 12.504 27.097 1.00 23.66 H new ATOM 0 HB2 ASP A 767 3.284 12.340 27.486 1.00 24.83 H new ATOM 0 HB3 ASP A 767 2.766 13.707 28.030 1.00 24.83 H new ATOM 788 N LEU A 768 0.181 10.245 28.756 1.00 21.58 N ATOM 789 CA LEU A 768 0.018 8.803 28.897 1.00 21.76 C ATOM 790 C LEU A 768 -1.471 8.493 28.955 1.00 22.00 C ATOM 791 O LEU A 768 -2.031 8.277 30.028 1.00 20.84 O ATOM 792 CB LEU A 768 0.709 8.303 30.168 1.00 19.87 C ATOM 793 CG LEU A 768 0.872 6.784 30.286 1.00 22.29 C ATOM 794 CD1 LEU A 768 1.630 6.253 29.075 1.00 22.28 C ATOM 795 CD2 LEU A 768 1.613 6.446 31.565 1.00 24.09 C ATOM 0 H LEU A 768 -0.431 10.716 29.134 1.00 21.58 H new ATOM 0 HA LEU A 768 0.425 8.353 28.140 1.00 21.76 H new ATOM 0 HB2 LEU A 768 1.588 8.710 30.220 1.00 19.87 H new ATOM 0 HB3 LEU A 768 0.205 8.618 30.935 1.00 19.87 H new ATOM 0 HG LEU A 768 -0.003 6.366 30.314 1.00 22.29 H new ATOM 0 HD11 LEU A 768 1.732 5.291 29.153 1.00 22.28 H new ATOM 0 HD12 LEU A 768 1.136 6.461 28.267 1.00 22.28 H new ATOM 0 HD13 LEU A 768 2.506 6.668 29.034 1.00 22.28 H new ATOM 0 HD21 LEU A 768 1.714 5.484 31.636 1.00 24.09 H new ATOM 0 HD22 LEU A 768 2.489 6.863 31.552 1.00 24.09 H new ATOM 0 HD23 LEU A 768 1.111 6.775 32.327 1.00 24.09 H new ATOM 796 N VAL A 769 -2.100 8.490 27.785 1.00 21.27 N ATOM 797 CA VAL A 769 -3.530 8.225 27.659 1.00 22.18 C ATOM 798 C VAL A 769 -3.710 6.874 26.969 1.00 21.81 C ATOM 799 O VAL A 769 -3.183 6.647 25.881 1.00 23.81 O ATOM 800 CB VAL A 769 -4.211 9.340 26.836 1.00 21.65 C ATOM 801 CG1 VAL A 769 -5.715 9.074 26.717 1.00 26.55 C ATOM 802 CG2 VAL A 769 -3.958 10.691 27.496 1.00 24.45 C ATOM 0 H VAL A 769 -1.707 8.643 27.036 1.00 21.27 H new ATOM 0 HA VAL A 769 -3.941 8.206 28.537 1.00 22.18 H new ATOM 0 HB VAL A 769 -3.834 9.350 25.942 1.00 21.65 H new ATOM 0 HG11 VAL A 769 -6.129 9.781 26.198 1.00 26.55 H new ATOM 0 HG12 VAL A 769 -5.859 8.223 26.275 1.00 26.55 H new ATOM 0 HG13 VAL A 769 -6.110 9.049 27.602 1.00 26.55 H new ATOM 0 HG21 VAL A 769 -4.387 11.390 26.978 1.00 24.45 H new ATOM 0 HG22 VAL A 769 -4.323 10.686 28.395 1.00 24.45 H new ATOM 0 HG23 VAL A 769 -3.003 10.858 27.536 1.00 24.45 H new ATOM 803 N PHE A 770 -4.454 5.979 27.610 1.00 22.37 N ATOM 804 CA PHE A 770 -4.680 4.632 27.087 1.00 22.59 C ATOM 805 C PHE A 770 -5.988 4.415 26.331 1.00 24.06 C ATOM 806 O PHE A 770 -7.068 4.607 26.890 1.00 24.40 O ATOM 807 CB PHE A 770 -4.660 3.610 28.237 1.00 23.52 C ATOM 808 CG PHE A 770 -3.285 3.127 28.639 1.00 23.17 C ATOM 809 CD1 PHE A 770 -2.185 3.979 28.628 1.00 23.40 C ATOM 810 CD2 PHE A 770 -3.115 1.821 29.097 1.00 23.99 C ATOM 811 CE1 PHE A 770 -0.932 3.537 29.075 1.00 24.21 C ATOM 812 CE2 PHE A 770 -1.873 1.366 29.545 1.00 23.86 C ATOM 813 CZ PHE A 770 -0.779 2.226 29.535 1.00 24.40 C ATOM 0 H PHE A 770 -4.843 6.134 28.361 1.00 22.37 H new ATOM 0 HA PHE A 770 -3.959 4.512 26.449 1.00 22.59 H new ATOM 0 HB2 PHE A 770 -5.088 4.007 29.012 1.00 23.52 H new ATOM 0 HB3 PHE A 770 -5.195 2.843 27.979 1.00 23.52 H new ATOM 0 HD1 PHE A 770 -2.282 4.851 28.321 1.00 23.40 H new ATOM 0 HD2 PHE A 770 -3.843 1.242 29.104 1.00 23.99 H new ATOM 0 HE1 PHE A 770 -0.204 4.115 29.065 1.00 24.21 H new ATOM 0 HE2 PHE A 770 -1.777 0.492 29.849 1.00 23.86 H new ATOM 0 HZ PHE A 770 0.051 1.930 29.833 1.00 24.40 H new ATOM 814 N ASN A 771 -5.884 4.018 25.064 1.00 24.28 N ATOM 815 CA ASN A 771 -7.062 3.669 24.277 1.00 23.55 C ATOM 816 C ASN A 771 -7.109 2.153 24.491 1.00 23.35 C ATOM 817 O ASN A 771 -6.246 1.614 25.189 1.00 23.03 O ATOM 818 CB ASN A 771 -6.879 4.002 22.788 1.00 23.96 C ATOM 819 CG ASN A 771 -5.519 3.577 22.240 1.00 22.87 C ATOM 820 OD1 ASN A 771 -4.910 2.619 22.712 1.00 22.64 O ATOM 821 ND2 ASN A 771 -5.054 4.285 21.221 1.00 23.89 N ATOM 0 H ASN A 771 -5.138 3.944 24.642 1.00 24.28 H new ATOM 0 HA ASN A 771 -7.865 4.147 24.537 1.00 23.55 H new ATOM 0 HB2 ASN A 771 -7.578 3.565 22.277 1.00 23.96 H new ATOM 0 HB3 ASN A 771 -6.989 4.957 22.660 1.00 23.96 H new ATOM 0 HD21 ASN A 771 -4.299 4.080 20.864 1.00 23.89 H new ATOM 0 HD22 ASN A 771 -5.507 4.949 20.916 1.00 23.89 H new ATOM 822 N GLU A 772 -8.088 1.460 23.917 1.00 22.87 N ATOM 823 CA GLU A 772 -8.175 0.013 24.121 1.00 24.07 C ATOM 824 C GLU A 772 -6.915 -0.727 23.678 1.00 23.43 C ATOM 825 O GLU A 772 -6.493 -1.687 24.326 1.00 22.97 O ATOM 826 CB GLU A 772 -9.391 -0.564 23.391 1.00 25.56 C ATOM 827 CG GLU A 772 -10.734 -0.071 23.918 1.00 29.55 C ATOM 828 CD GLU A 772 -11.505 -1.136 24.684 1.00 29.61 C ATOM 829 OE1 GLU A 772 -11.383 -2.332 24.345 1.00 29.45 O ATOM 830 OE2 GLU A 772 -12.254 -0.777 25.616 1.00 33.30 O ATOM 0 H GLU A 772 -8.700 1.797 23.416 1.00 22.87 H new ATOM 0 HA GLU A 772 -8.270 -0.121 25.077 1.00 24.07 H new ATOM 0 HB2 GLU A 772 -9.324 -0.342 22.449 1.00 25.56 H new ATOM 0 HB3 GLU A 772 -9.365 -1.531 23.457 1.00 25.56 H new ATOM 0 HG2 GLU A 772 -10.587 0.693 24.497 1.00 29.55 H new ATOM 0 HG3 GLU A 772 -11.273 0.238 23.173 1.00 29.55 H new ATOM 831 N TYR A 773 -6.320 -0.293 22.572 1.00 23.23 N ATOM 832 CA TYR A 773 -5.110 -0.941 22.080 1.00 23.24 C ATOM 833 C TYR A 773 -4.026 -0.951 23.157 1.00 23.29 C ATOM 834 O TYR A 773 -3.353 -1.962 23.357 1.00 23.16 O ATOM 835 CB TYR A 773 -4.572 -0.220 20.843 1.00 25.05 C ATOM 836 CG TYR A 773 -3.332 -0.875 20.283 1.00 26.63 C ATOM 837 CD1 TYR A 773 -3.409 -2.102 19.622 1.00 28.10 C ATOM 838 CD2 TYR A 773 -2.077 -0.288 20.441 1.00 28.98 C ATOM 839 CE1 TYR A 773 -2.270 -2.728 19.131 1.00 29.56 C ATOM 840 CE2 TYR A 773 -0.925 -0.910 19.951 1.00 31.08 C ATOM 841 CZ TYR A 773 -1.032 -2.128 19.298 1.00 30.36 C ATOM 842 OH TYR A 773 0.091 -2.749 18.800 1.00 33.63 O ATOM 0 H TYR A 773 -6.597 0.368 22.096 1.00 23.23 H new ATOM 0 HA TYR A 773 -5.342 -1.853 21.846 1.00 23.24 H new ATOM 0 HB2 TYR A 773 -5.260 -0.200 20.160 1.00 25.05 H new ATOM 0 HB3 TYR A 773 -4.372 0.701 21.071 1.00 25.05 H new ATOM 0 HD1 TYR A 773 -4.238 -2.508 19.508 1.00 28.10 H new ATOM 0 HD2 TYR A 773 -2.005 0.529 20.879 1.00 28.98 H new ATOM 0 HE1 TYR A 773 -2.338 -3.545 18.693 1.00 29.56 H new ATOM 0 HE2 TYR A 773 -0.093 -0.510 20.062 1.00 31.08 H new ATOM 0 HH TYR A 773 0.768 -2.281 18.968 1.00 33.63 H new ATOM 843 N ARG A 774 -3.844 0.176 23.838 1.00 22.98 N ATOM 844 CA ARG A 774 -2.830 0.243 24.890 1.00 23.96 C ATOM 845 C ARG A 774 -3.239 -0.575 26.108 1.00 24.43 C ATOM 846 O ARG A 774 -2.393 -1.168 26.776 1.00 23.84 O ATOM 847 CB ARG A 774 -2.554 1.696 25.287 1.00 24.29 C ATOM 848 CG ARG A 774 -1.664 2.421 24.287 1.00 23.86 C ATOM 849 CD ARG A 774 -1.370 3.847 24.716 1.00 24.75 C ATOM 850 NE ARG A 774 -0.282 4.413 23.926 1.00 26.55 N ATOM 851 CZ ARG A 774 0.200 5.640 24.080 1.00 26.24 C ATOM 852 NH1 ARG A 774 -0.314 6.444 25.000 1.00 25.05 N ATOM 853 NH2 ARG A 774 1.198 6.063 23.312 1.00 24.31 N ATOM 0 H ARG A 774 -4.287 0.902 23.711 1.00 22.98 H new ATOM 0 HA ARG A 774 -2.013 -0.140 24.535 1.00 23.96 H new ATOM 0 HB2 ARG A 774 -3.396 2.171 25.368 1.00 24.29 H new ATOM 0 HB3 ARG A 774 -2.133 1.714 26.161 1.00 24.29 H new ATOM 0 HG2 ARG A 774 -0.830 1.936 24.187 1.00 23.86 H new ATOM 0 HG3 ARG A 774 -2.095 2.428 23.418 1.00 23.86 H new ATOM 0 HD2 ARG A 774 -2.167 4.391 24.613 1.00 24.75 H new ATOM 0 HD3 ARG A 774 -1.135 3.864 25.657 1.00 24.75 H new ATOM 0 HE ARG A 774 0.071 3.917 23.319 1.00 26.55 H new ATOM 0 HH11 ARG A 774 -0.960 6.171 25.497 1.00 25.05 H new ATOM 0 HH12 ARG A 774 -0.001 7.239 25.099 1.00 25.05 H new ATOM 0 HH21 ARG A 774 1.532 5.542 22.715 1.00 24.31 H new ATOM 0 HH22 ARG A 774 1.510 6.858 23.412 1.00 24.31 H new ATOM 854 N MET A 775 -4.535 -0.606 26.398 1.00 23.31 N ATOM 855 CA MET A 775 -5.027 -1.390 27.525 1.00 24.41 C ATOM 856 C MET A 775 -4.637 -2.847 27.306 1.00 24.97 C ATOM 857 O MET A 775 -4.237 -3.542 28.240 1.00 27.38 O ATOM 858 CB MET A 775 -6.548 -1.291 27.626 1.00 24.97 C ATOM 859 CG MET A 775 -7.066 0.053 28.070 1.00 24.23 C ATOM 860 SD MET A 775 -8.876 0.062 28.129 1.00 28.55 S ATOM 861 CE MET A 775 -9.198 1.769 27.773 1.00 28.33 C ATOM 0 H MET A 775 -5.142 -0.184 25.959 1.00 23.31 H new ATOM 0 HA MET A 775 -4.639 -1.049 28.346 1.00 24.41 H new ATOM 0 HB2 MET A 775 -6.931 -1.501 26.760 1.00 24.97 H new ATOM 0 HB3 MET A 775 -6.863 -1.966 28.247 1.00 24.97 H new ATOM 0 HG2 MET A 775 -6.709 0.268 28.946 1.00 24.23 H new ATOM 0 HG3 MET A 775 -6.755 0.741 27.461 1.00 24.23 H new ATOM 0 HE1 MET A 775 -10.137 1.960 27.926 1.00 28.33 H new ATOM 0 HE2 MET A 775 -8.656 2.328 28.351 1.00 28.33 H new ATOM 0 HE3 MET A 775 -8.978 1.954 26.847 1.00 28.33 H new ATOM 862 N HIS A 776 -4.764 -3.300 26.061 1.00 24.98 N ATOM 863 CA HIS A 776 -4.431 -4.671 25.691 1.00 24.86 C ATOM 864 C HIS A 776 -2.922 -4.896 25.738 1.00 24.63 C ATOM 865 O HIS A 776 -2.449 -5.891 26.287 1.00 23.68 O ATOM 866 CB HIS A 776 -4.961 -4.972 24.285 1.00 24.98 C ATOM 867 CG HIS A 776 -4.567 -6.319 23.764 1.00 27.54 C ATOM 868 ND1 HIS A 776 -3.359 -6.555 23.141 1.00 27.49 N ATOM 869 CD2 HIS A 776 -5.214 -7.510 23.794 1.00 27.50 C ATOM 870 CE1 HIS A 776 -3.280 -7.832 22.809 1.00 27.92 C ATOM 871 NE2 HIS A 776 -4.392 -8.433 23.194 1.00 27.74 N ATOM 0 H HIS A 776 -5.046 -2.819 25.406 1.00 24.98 H new ATOM 0 HA HIS A 776 -4.848 -5.271 26.328 1.00 24.86 H new ATOM 0 HB2 HIS A 776 -5.929 -4.909 24.293 1.00 24.98 H new ATOM 0 HB3 HIS A 776 -4.637 -4.291 23.674 1.00 24.98 H new ATOM 0 HD2 HIS A 776 -6.056 -7.672 24.153 1.00 27.50 H new ATOM 0 HE1 HIS A 776 -2.563 -8.238 22.378 1.00 27.92 H new ATOM 0 HE2 HIS A 776 -4.572 -9.267 23.086 1.00 27.74 H new ATOM 872 N LYS A 777 -2.175 -3.957 25.168 1.00 25.37 N ATOM 873 CA LYS A 777 -0.716 -4.032 25.132 1.00 26.82 C ATOM 874 C LYS A 777 -0.081 -4.043 26.528 1.00 28.09 C ATOM 875 O LYS A 777 1.000 -4.614 26.727 1.00 27.75 O ATOM 876 CB LYS A 777 -0.170 -2.849 24.324 1.00 28.95 C ATOM 877 CG LYS A 777 1.352 -2.728 24.318 1.00 32.21 C ATOM 878 CD LYS A 777 2.020 -3.889 23.607 1.00 35.86 C ATOM 879 CE LYS A 777 1.766 -3.845 22.111 1.00 37.35 C ATOM 880 NZ LYS A 777 2.502 -4.932 21.412 1.00 39.22 N ATOM 0 H LYS A 777 -2.499 -3.256 24.790 1.00 25.37 H new ATOM 0 HA LYS A 777 -0.481 -4.874 24.711 1.00 26.82 H new ATOM 0 HB2 LYS A 777 -0.479 -2.928 23.408 1.00 28.95 H new ATOM 0 HB3 LYS A 777 -0.546 -2.029 24.680 1.00 28.95 H new ATOM 0 HG2 LYS A 777 1.606 -1.898 23.886 1.00 32.21 H new ATOM 0 HG3 LYS A 777 1.674 -2.683 25.232 1.00 32.21 H new ATOM 0 HD2 LYS A 777 2.975 -3.867 23.775 1.00 35.86 H new ATOM 0 HD3 LYS A 777 1.688 -4.726 23.968 1.00 35.86 H new ATOM 0 HE2 LYS A 777 0.815 -3.931 21.939 1.00 37.35 H new ATOM 0 HE3 LYS A 777 2.042 -2.985 21.758 1.00 37.35 H new ATOM 0 HZ1 LYS A 777 2.339 -4.887 20.538 1.00 39.22 H new ATOM 0 HZ2 LYS A 777 3.375 -4.839 21.555 1.00 39.22 H new ATOM 0 HZ3 LYS A 777 2.233 -5.721 21.723 1.00 39.22 H new ATOM 881 N SER A 778 -0.755 -3.417 27.491 1.00 27.16 N ATOM 882 CA SER A 778 -0.258 -3.337 28.867 1.00 27.00 C ATOM 883 C SER A 778 -0.360 -4.658 29.631 1.00 26.78 C ATOM 884 O SER A 778 0.206 -4.800 30.709 1.00 26.13 O ATOM 885 CB SER A 778 -1.033 -2.270 29.640 1.00 27.77 C ATOM 886 OG SER A 778 -2.348 -2.723 29.918 1.00 26.83 O ATOM 0 H SER A 778 -1.511 -3.027 27.367 1.00 27.16 H new ATOM 0 HA SER A 778 0.683 -3.110 28.799 1.00 27.00 H new ATOM 0 HB2 SER A 778 -0.573 -2.064 30.469 1.00 27.77 H new ATOM 0 HB3 SER A 778 -1.069 -1.450 29.124 1.00 27.77 H new ATOM 0 HG SER A 778 -2.744 -2.894 29.197 1.00 26.83 H new ATOM 887 N ARG A 779 -1.098 -5.611 29.072 1.00 27.11 N ATOM 888 CA ARG A 779 -1.297 -6.920 29.688 1.00 26.88 C ATOM 889 C ARG A 779 -2.191 -6.880 30.925 1.00 27.15 C ATOM 890 O ARG A 779 -2.265 -7.847 31.680 1.00 25.55 O ATOM 891 CB ARG A 779 0.056 -7.576 30.015 1.00 29.29 C ATOM 892 CG ARG A 779 0.916 -7.796 28.771 1.00 30.81 C ATOM 893 CD ARG A 779 2.240 -8.503 29.061 1.00 33.84 C ATOM 894 NE ARG A 779 3.086 -8.536 27.868 1.00 35.59 N ATOM 895 CZ ARG A 779 4.339 -8.981 27.842 1.00 36.56 C ATOM 896 NH1 ARG A 779 4.907 -9.440 28.948 1.00 36.34 N ATOM 897 NH2 ARG A 779 5.030 -8.956 26.711 1.00 36.89 N ATOM 0 H ARG A 779 -1.501 -5.516 28.318 1.00 27.11 H new ATOM 0 HA ARG A 779 -1.766 -7.461 29.033 1.00 26.88 H new ATOM 0 HB2 ARG A 779 0.539 -7.017 30.644 1.00 29.29 H new ATOM 0 HB3 ARG A 779 -0.098 -8.428 30.453 1.00 29.29 H new ATOM 0 HG2 ARG A 779 0.413 -8.319 28.127 1.00 30.81 H new ATOM 0 HG3 ARG A 779 1.100 -6.938 28.358 1.00 30.81 H new ATOM 0 HD2 ARG A 779 2.705 -8.046 29.779 1.00 33.84 H new ATOM 0 HD3 ARG A 779 2.068 -9.408 29.365 1.00 33.84 H new ATOM 0 HE ARG A 779 2.749 -8.247 27.131 1.00 35.59 H new ATOM 0 HH11 ARG A 779 4.465 -9.451 29.686 1.00 36.34 H new ATOM 0 HH12 ARG A 779 5.717 -9.727 28.928 1.00 36.34 H new ATOM 0 HH21 ARG A 779 4.668 -8.652 25.993 1.00 36.89 H new ATOM 0 HH22 ARG A 779 5.840 -9.244 26.696 1.00 36.89 H new ATOM 898 N MET A 780 -2.866 -5.753 31.138 1.00 27.07 N ATOM 899 CA MET A 780 -3.797 -5.629 32.256 1.00 28.56 C ATOM 900 C MET A 780 -5.085 -5.024 31.718 1.00 27.31 C ATOM 901 O MET A 780 -5.655 -4.096 32.284 1.00 26.89 O ATOM 902 CB MET A 780 -3.218 -4.772 33.390 1.00 29.60 C ATOM 903 CG MET A 780 -2.517 -3.507 32.965 1.00 33.03 C ATOM 904 SD MET A 780 -1.889 -2.613 34.418 1.00 35.74 S ATOM 905 CE MET A 780 -1.686 -0.987 33.728 1.00 36.15 C ATOM 0 H MET A 780 -2.799 -5.050 30.648 1.00 27.07 H new ATOM 0 HA MET A 780 -3.966 -6.504 32.638 1.00 28.56 H new ATOM 0 HB2 MET A 780 -3.939 -4.535 33.994 1.00 29.60 H new ATOM 0 HB3 MET A 780 -2.592 -5.314 33.895 1.00 29.60 H new ATOM 0 HG2 MET A 780 -1.783 -3.722 32.368 1.00 33.03 H new ATOM 0 HG3 MET A 780 -3.130 -2.941 32.470 1.00 33.03 H new ATOM 0 HE1 MET A 780 -1.516 -0.352 34.441 1.00 36.15 H new ATOM 0 HE2 MET A 780 -0.937 -0.988 33.111 1.00 36.15 H new ATOM 0 HE3 MET A 780 -2.494 -0.733 33.255 1.00 36.15 H new ATOM 906 N TYR A 781 -5.542 -5.587 30.610 1.00 27.40 N ATOM 907 CA TYR A 781 -6.746 -5.114 29.955 1.00 28.61 C ATOM 908 C TYR A 781 -7.984 -5.171 30.847 1.00 28.33 C ATOM 909 O TYR A 781 -8.698 -4.180 30.978 1.00 27.45 O ATOM 910 CB TYR A 781 -6.974 -5.909 28.665 1.00 31.36 C ATOM 911 CG TYR A 781 -8.218 -5.501 27.913 1.00 34.20 C ATOM 912 CD1 TYR A 781 -9.447 -6.095 28.197 1.00 36.97 C ATOM 913 CD2 TYR A 781 -8.177 -4.505 26.943 1.00 34.66 C ATOM 914 CE1 TYR A 781 -10.608 -5.713 27.535 1.00 36.42 C ATOM 915 CE2 TYR A 781 -9.337 -4.106 26.274 1.00 36.09 C ATOM 916 CZ TYR A 781 -10.551 -4.718 26.580 1.00 36.36 C ATOM 917 OH TYR A 781 -11.712 -4.329 25.951 1.00 37.45 O ATOM 0 H TYR A 781 -5.163 -6.252 30.218 1.00 27.40 H new ATOM 0 HA TYR A 781 -6.609 -4.176 29.749 1.00 28.61 H new ATOM 0 HB2 TYR A 781 -6.204 -5.798 28.085 1.00 31.36 H new ATOM 0 HB3 TYR A 781 -7.032 -6.853 28.882 1.00 31.36 H new ATOM 0 HD1 TYR A 781 -9.491 -6.762 28.844 1.00 36.97 H new ATOM 0 HD2 TYR A 781 -7.366 -4.099 26.737 1.00 34.66 H new ATOM 0 HE1 TYR A 781 -11.418 -6.125 27.734 1.00 36.42 H new ATOM 0 HE2 TYR A 781 -9.299 -3.437 25.629 1.00 36.09 H new ATOM 0 HH TYR A 781 -11.524 -3.845 25.290 1.00 37.45 H new ATOM 918 N SER A 782 -8.231 -6.320 31.470 1.00 28.27 N ATOM 919 CA SER A 782 -9.401 -6.468 32.328 1.00 28.79 C ATOM 920 C SER A 782 -9.401 -5.420 33.436 1.00 28.76 C ATOM 921 O SER A 782 -10.444 -4.845 33.759 1.00 27.49 O ATOM 922 CB SER A 782 -9.451 -7.879 32.927 1.00 29.76 C ATOM 923 OG SER A 782 -8.356 -8.103 33.799 1.00 34.27 O ATOM 0 H SER A 782 -7.737 -7.021 31.410 1.00 28.27 H new ATOM 0 HA SER A 782 -10.193 -6.333 31.784 1.00 28.79 H new ATOM 0 HB2 SER A 782 -10.283 -7.999 33.411 1.00 29.76 H new ATOM 0 HB3 SER A 782 -9.440 -8.537 32.214 1.00 29.76 H new ATOM 0 HG SER A 782 -7.689 -8.352 33.353 1.00 34.27 H new ATOM 924 N GLN A 783 -8.233 -5.165 34.018 1.00 26.75 N ATOM 925 CA GLN A 783 -8.144 -4.160 35.069 1.00 26.31 C ATOM 926 C GLN A 783 -8.450 -2.788 34.476 1.00 23.91 C ATOM 927 O GLN A 783 -9.141 -1.976 35.090 1.00 23.68 O ATOM 928 CB GLN A 783 -6.751 -4.156 35.704 1.00 26.24 C ATOM 929 CG GLN A 783 -6.408 -5.448 36.429 1.00 29.88 C ATOM 930 CD GLN A 783 -5.604 -6.403 35.576 1.00 29.64 C ATOM 931 OE1 GLN A 783 -5.901 -6.611 34.404 1.00 30.29 O ATOM 932 NE2 GLN A 783 -4.576 -6.997 36.169 1.00 33.79 N ATOM 0 H GLN A 783 -7.492 -5.556 33.823 1.00 26.75 H new ATOM 0 HA GLN A 783 -8.790 -4.371 35.761 1.00 26.31 H new ATOM 0 HB2 GLN A 783 -6.089 -3.996 35.013 1.00 26.24 H new ATOM 0 HB3 GLN A 783 -6.691 -3.417 36.330 1.00 26.24 H new ATOM 0 HG2 GLN A 783 -5.907 -5.240 37.233 1.00 29.88 H new ATOM 0 HG3 GLN A 783 -7.228 -5.884 36.710 1.00 29.88 H new ATOM 0 HE21 GLN A 783 -4.398 -6.827 36.993 1.00 33.79 H new ATOM 0 HE22 GLN A 783 -4.088 -7.552 35.729 1.00 33.79 H new ATOM 933 N CYS A 784 -7.946 -2.538 33.272 1.00 22.26 N ATOM 934 CA CYS A 784 -8.183 -1.261 32.610 1.00 19.91 C ATOM 935 C CYS A 784 -9.665 -1.055 32.300 1.00 20.03 C ATOM 936 O CYS A 784 -10.177 0.053 32.419 1.00 20.65 O ATOM 937 CB CYS A 784 -7.371 -1.169 31.322 1.00 19.90 C ATOM 938 SG CYS A 784 -5.612 -0.793 31.593 1.00 22.16 S ATOM 0 H CYS A 784 -7.466 -3.092 32.823 1.00 22.26 H new ATOM 0 HA CYS A 784 -7.900 -0.561 33.220 1.00 19.91 H new ATOM 0 HB2 CYS A 784 -7.444 -2.009 30.842 1.00 19.90 H new ATOM 0 HB3 CYS A 784 -7.756 -0.484 30.754 1.00 19.90 H new ATOM 0 HG CYS A 784 -5.035 -1.792 31.922 1.00 22.16 H new ATOM 939 N VAL A 785 -10.350 -2.118 31.897 1.00 21.86 N ATOM 940 CA VAL A 785 -11.773 -2.002 31.585 1.00 24.61 C ATOM 941 C VAL A 785 -12.555 -1.691 32.848 1.00 24.65 C ATOM 942 O VAL A 785 -13.520 -0.932 32.818 1.00 27.25 O ATOM 943 CB VAL A 785 -12.320 -3.293 30.950 1.00 26.36 C ATOM 944 CG1 VAL A 785 -13.834 -3.176 30.718 1.00 27.35 C ATOM 945 CG2 VAL A 785 -11.615 -3.541 29.633 1.00 28.39 C ATOM 0 H VAL A 785 -10.018 -2.905 31.798 1.00 21.86 H new ATOM 0 HA VAL A 785 -11.877 -1.281 30.945 1.00 24.61 H new ATOM 0 HB VAL A 785 -12.157 -4.036 31.552 1.00 26.36 H new ATOM 0 HG11 VAL A 785 -14.165 -3.996 30.318 1.00 27.35 H new ATOM 0 HG12 VAL A 785 -14.281 -3.027 31.566 1.00 27.35 H new ATOM 0 HG13 VAL A 785 -14.014 -2.431 30.123 1.00 27.35 H new ATOM 0 HG21 VAL A 785 -11.958 -4.354 29.230 1.00 28.39 H new ATOM 0 HG22 VAL A 785 -11.773 -2.793 29.035 1.00 28.39 H new ATOM 0 HG23 VAL A 785 -10.662 -3.634 29.788 1.00 28.39 H new ATOM 946 N ARG A 786 -12.131 -2.271 33.965 1.00 24.58 N ATOM 947 CA ARG A 786 -12.802 -2.022 35.234 1.00 25.91 C ATOM 948 C ARG A 786 -12.579 -0.571 35.652 1.00 24.57 C ATOM 949 O ARG A 786 -13.465 0.060 36.231 1.00 24.61 O ATOM 950 CB ARG A 786 -12.282 -2.983 36.304 1.00 26.35 C ATOM 951 CG ARG A 786 -12.546 -4.444 35.960 1.00 31.63 C ATOM 952 CD ARG A 786 -12.193 -5.352 37.117 1.00 33.56 C ATOM 953 NE ARG A 786 -13.064 -5.100 38.260 1.00 40.05 N ATOM 954 CZ ARG A 786 -12.917 -5.666 39.454 1.00 41.59 C ATOM 955 NH1 ARG A 786 -11.927 -6.524 39.669 1.00 41.97 N ATOM 956 NH2 ARG A 786 -13.763 -5.374 40.433 1.00 41.79 N ATOM 0 H ARG A 786 -11.461 -2.808 34.010 1.00 24.58 H new ATOM 0 HA ARG A 786 -13.754 -2.174 35.131 1.00 25.91 H new ATOM 0 HB2 ARG A 786 -11.328 -2.849 36.418 1.00 26.35 H new ATOM 0 HB3 ARG A 786 -12.702 -2.774 37.153 1.00 26.35 H new ATOM 0 HG2 ARG A 786 -13.481 -4.560 35.728 1.00 31.63 H new ATOM 0 HG3 ARG A 786 -12.027 -4.694 35.180 1.00 31.63 H new ATOM 0 HD2 ARG A 786 -12.274 -6.279 36.842 1.00 33.56 H new ATOM 0 HD3 ARG A 786 -11.268 -5.211 37.373 1.00 33.56 H new ATOM 0 HE ARG A 786 -13.716 -4.549 38.154 1.00 40.05 H new ATOM 0 HH11 ARG A 786 -11.378 -6.715 39.035 1.00 41.97 H new ATOM 0 HH12 ARG A 786 -11.834 -6.889 40.442 1.00 41.97 H new ATOM 0 HH21 ARG A 786 -14.405 -4.819 40.295 1.00 41.79 H new ATOM 0 HH22 ARG A 786 -13.669 -5.739 41.206 1.00 41.79 H new ATOM 957 N MET A 787 -11.399 -0.039 35.348 1.00 21.54 N ATOM 958 CA MET A 787 -11.097 1.348 35.677 1.00 22.38 C ATOM 959 C MET A 787 -11.884 2.279 34.760 1.00 22.16 C ATOM 960 O MET A 787 -12.250 3.388 35.153 1.00 23.49 O ATOM 961 CB MET A 787 -9.587 1.623 35.557 1.00 20.96 C ATOM 962 CG MET A 787 -8.769 0.950 36.650 1.00 20.81 C ATOM 963 SD MET A 787 -7.015 1.443 36.715 1.00 22.00 S ATOM 964 CE MET A 787 -6.343 0.451 35.391 1.00 20.61 C ATOM 0 H MET A 787 -10.763 -0.462 34.953 1.00 21.54 H new ATOM 0 HA MET A 787 -11.359 1.514 36.596 1.00 22.38 H new ATOM 0 HB2 MET A 787 -9.275 1.315 34.691 1.00 20.96 H new ATOM 0 HB3 MET A 787 -9.434 2.580 35.589 1.00 20.96 H new ATOM 0 HG2 MET A 787 -9.178 1.145 37.508 1.00 20.81 H new ATOM 0 HG3 MET A 787 -8.816 -0.011 36.525 1.00 20.81 H new ATOM 0 HE1 MET A 787 -5.394 0.313 35.539 1.00 20.61 H new ATOM 0 HE2 MET A 787 -6.794 -0.407 35.368 1.00 20.61 H new ATOM 0 HE3 MET A 787 -6.475 0.907 34.545 1.00 20.61 H new ATOM 965 N ARG A 788 -12.148 1.832 33.536 1.00 23.42 N ATOM 966 CA ARG A 788 -12.920 2.648 32.605 1.00 24.38 C ATOM 967 C ARG A 788 -14.359 2.674 33.120 1.00 22.53 C ATOM 968 O ARG A 788 -15.051 3.688 33.018 1.00 21.05 O ATOM 969 CB ARG A 788 -12.867 2.060 31.190 1.00 26.03 C ATOM 970 CG ARG A 788 -13.553 2.924 30.135 1.00 32.52 C ATOM 971 CD ARG A 788 -15.023 2.535 29.955 1.00 36.70 C ATOM 972 NE ARG A 788 -15.168 1.314 29.161 1.00 39.40 N ATOM 973 CZ ARG A 788 -15.732 0.189 29.594 1.00 41.55 C ATOM 974 NH1 ARG A 788 -16.217 0.108 30.829 1.00 41.85 N ATOM 975 NH2 ARG A 788 -15.814 -0.862 28.788 1.00 41.86 N ATOM 0 H ARG A 788 -11.894 1.070 33.228 1.00 23.42 H new ATOM 0 HA ARG A 788 -12.554 3.545 32.554 1.00 24.38 H new ATOM 0 HB2 ARG A 788 -11.939 1.932 30.937 1.00 26.03 H new ATOM 0 HB3 ARG A 788 -13.283 1.184 31.198 1.00 26.03 H new ATOM 0 HG2 ARG A 788 -13.494 3.857 30.392 1.00 32.52 H new ATOM 0 HG3 ARG A 788 -13.088 2.833 29.289 1.00 32.52 H new ATOM 0 HD2 ARG A 788 -15.432 2.406 30.825 1.00 36.70 H new ATOM 0 HD3 ARG A 788 -15.499 3.261 29.522 1.00 36.70 H new ATOM 0 HE ARG A 788 -14.867 1.324 28.356 1.00 39.40 H new ATOM 0 HH11 ARG A 788 -16.168 0.786 31.356 1.00 41.85 H new ATOM 0 HH12 ARG A 788 -16.580 -0.623 31.101 1.00 41.85 H new ATOM 0 HH21 ARG A 788 -15.503 -0.815 27.988 1.00 41.86 H new ATOM 0 HH22 ARG A 788 -16.178 -1.590 29.066 1.00 41.86 H new ATOM 976 N HIS A 789 -14.788 1.553 33.688 1.00 24.20 N ATOM 977 CA HIS A 789 -16.133 1.450 34.239 1.00 25.38 C ATOM 978 C HIS A 789 -16.229 2.396 35.434 1.00 25.10 C ATOM 979 O HIS A 789 -17.222 3.104 35.588 1.00 23.67 O ATOM 980 CB HIS A 789 -16.429 0.010 34.664 1.00 27.01 C ATOM 981 CG HIS A 789 -17.848 -0.214 35.086 1.00 28.57 C ATOM 982 ND1 HIS A 789 -18.346 0.236 36.290 1.00 31.30 N ATOM 983 CD2 HIS A 789 -18.880 -0.824 34.458 1.00 30.71 C ATOM 984 CE1 HIS A 789 -19.622 -0.089 36.386 1.00 29.78 C ATOM 985 NE2 HIS A 789 -19.972 -0.733 35.288 1.00 31.19 N ATOM 0 H HIS A 789 -14.315 0.839 33.764 1.00 24.20 H new ATOM 0 HA HIS A 789 -16.789 1.697 33.568 1.00 25.38 H new ATOM 0 HB2 HIS A 789 -16.221 -0.585 33.927 1.00 27.01 H new ATOM 0 HB3 HIS A 789 -15.840 -0.230 35.397 1.00 27.01 H new ATOM 0 HD2 HIS A 789 -18.855 -1.229 33.621 1.00 30.71 H new ATOM 0 HE1 HIS A 789 -20.180 0.103 37.105 1.00 29.78 H new ATOM 0 HE2 HIS A 789 -20.756 -1.045 35.119 1.00 31.19 H new ATOM 986 N LEU A 790 -15.188 2.417 36.269 1.00 24.72 N ATOM 987 CA LEU A 790 -15.154 3.314 37.424 1.00 24.16 C ATOM 988 C LEU A 790 -15.302 4.753 36.938 1.00 24.23 C ATOM 989 O LEU A 790 -16.081 5.534 37.489 1.00 24.41 O ATOM 990 CB LEU A 790 -13.826 3.175 38.183 1.00 25.27 C ATOM 991 CG LEU A 790 -13.558 4.204 39.291 1.00 26.94 C ATOM 992 CD1 LEU A 790 -14.623 4.097 40.391 1.00 25.87 C ATOM 993 CD2 LEU A 790 -12.171 3.962 39.879 1.00 25.01 C ATOM 0 H LEU A 790 -14.492 1.919 36.183 1.00 24.72 H new ATOM 0 HA LEU A 790 -15.880 3.081 38.023 1.00 24.16 H new ATOM 0 HB2 LEU A 790 -13.793 2.289 38.577 1.00 25.27 H new ATOM 0 HB3 LEU A 790 -13.102 3.226 37.540 1.00 25.27 H new ATOM 0 HG LEU A 790 -13.598 5.096 38.913 1.00 26.94 H new ATOM 0 HD11 LEU A 790 -14.441 4.752 41.083 1.00 25.87 H new ATOM 0 HD12 LEU A 790 -15.499 4.264 40.011 1.00 25.87 H new ATOM 0 HD13 LEU A 790 -14.603 3.207 40.776 1.00 25.87 H new ATOM 0 HD21 LEU A 790 -11.999 4.611 40.579 1.00 25.01 H new ATOM 0 HD22 LEU A 790 -12.128 3.067 40.250 1.00 25.01 H new ATOM 0 HD23 LEU A 790 -11.503 4.055 39.182 1.00 25.01 H new ATOM 994 N SER A 791 -14.545 5.101 35.902 1.00 22.79 N ATOM 995 CA SER A 791 -14.600 6.443 35.334 1.00 23.16 C ATOM 996 C SER A 791 -16.009 6.822 34.870 1.00 23.68 C ATOM 997 O SER A 791 -16.464 7.943 35.100 1.00 23.31 O ATOM 998 CB SER A 791 -13.647 6.551 34.148 1.00 23.40 C ATOM 999 OG SER A 791 -13.771 7.820 33.526 1.00 27.94 O ATOM 0 H SER A 791 -13.991 4.572 35.512 1.00 22.79 H new ATOM 0 HA SER A 791 -14.337 7.056 36.038 1.00 23.16 H new ATOM 0 HB2 SER A 791 -12.734 6.419 34.447 1.00 23.40 H new ATOM 0 HB3 SER A 791 -13.840 5.850 33.506 1.00 23.40 H new ATOM 0 HG SER A 791 -13.400 8.403 34.003 1.00 27.94 H new ATOM 1000 N GLN A 792 -16.685 5.895 34.199 1.00 24.19 N ATOM 1001 CA GLN A 792 -18.039 6.149 33.704 1.00 26.52 C ATOM 1002 C GLN A 792 -19.021 6.402 34.842 1.00 26.30 C ATOM 1003 O GLN A 792 -19.975 7.176 34.698 1.00 26.93 O ATOM 1004 CB GLN A 792 -18.535 4.960 32.875 1.00 28.07 C ATOM 1005 CG GLN A 792 -17.811 4.775 31.554 1.00 29.68 C ATOM 1006 CD GLN A 792 -18.383 3.633 30.740 1.00 31.42 C ATOM 1007 OE1 GLN A 792 -18.249 2.464 31.102 1.00 33.55 O ATOM 1008 NE2 GLN A 792 -19.043 3.970 29.641 1.00 32.72 N ATOM 0 H GLN A 792 -16.380 5.112 34.019 1.00 24.19 H new ATOM 0 HA GLN A 792 -17.995 6.945 33.152 1.00 26.52 H new ATOM 0 HB2 GLN A 792 -18.439 4.150 33.401 1.00 28.07 H new ATOM 0 HB3 GLN A 792 -19.482 5.074 32.700 1.00 28.07 H new ATOM 0 HG2 GLN A 792 -17.866 5.596 31.040 1.00 29.68 H new ATOM 0 HG3 GLN A 792 -16.870 4.609 31.723 1.00 29.68 H new ATOM 0 HE21 GLN A 792 -19.116 4.798 29.420 1.00 32.72 H new ATOM 0 HE22 GLN A 792 -19.398 3.361 29.149 1.00 32.72 H new ATOM 1009 N GLU A 793 -18.794 5.739 35.971 1.00 25.26 N ATOM 1010 CA GLU A 793 -19.678 5.903 37.114 1.00 26.60 C ATOM 1011 C GLU A 793 -19.681 7.324 37.667 1.00 25.38 C ATOM 1012 O GLU A 793 -20.686 7.768 38.230 1.00 24.03 O ATOM 1013 CB GLU A 793 -19.334 4.877 38.198 1.00 29.62 C ATOM 1014 CG GLU A 793 -19.843 3.490 37.821 1.00 35.18 C ATOM 1015 CD GLU A 793 -19.752 2.481 38.941 1.00 40.45 C ATOM 1016 OE1 GLU A 793 -18.645 1.964 39.194 1.00 43.52 O ATOM 1017 OE2 GLU A 793 -20.795 2.210 39.572 1.00 41.89 O ATOM 0 H GLU A 793 -18.140 5.195 36.094 1.00 25.26 H new ATOM 0 HA GLU A 793 -20.583 5.740 36.804 1.00 26.60 H new ATOM 0 HB2 GLU A 793 -18.373 4.848 38.327 1.00 29.62 H new ATOM 0 HB3 GLU A 793 -19.726 5.150 39.042 1.00 29.62 H new ATOM 0 HG2 GLU A 793 -20.767 3.561 37.535 1.00 35.18 H new ATOM 0 HG3 GLU A 793 -19.335 3.164 37.061 1.00 35.18 H new ATOM 1018 N PHE A 794 -18.577 8.049 37.496 1.00 23.06 N ATOM 1019 CA PHE A 794 -18.538 9.430 37.965 1.00 23.53 C ATOM 1020 C PHE A 794 -19.596 10.200 37.177 1.00 24.13 C ATOM 1021 O PHE A 794 -20.204 11.142 37.684 1.00 25.13 O ATOM 1022 CB PHE A 794 -17.166 10.070 37.722 1.00 22.23 C ATOM 1023 CG PHE A 794 -16.102 9.623 38.687 1.00 22.21 C ATOM 1024 CD1 PHE A 794 -16.209 9.908 40.044 1.00 22.27 C ATOM 1025 CD2 PHE A 794 -14.988 8.922 38.234 1.00 24.41 C ATOM 1026 CE1 PHE A 794 -15.219 9.500 40.942 1.00 22.43 C ATOM 1027 CE2 PHE A 794 -13.993 8.508 39.122 1.00 24.25 C ATOM 1028 CZ PHE A 794 -14.109 8.799 40.478 1.00 22.92 C ATOM 0 H PHE A 794 -17.856 7.768 37.120 1.00 23.06 H new ATOM 0 HA PHE A 794 -18.706 9.454 38.920 1.00 23.53 H new ATOM 0 HB2 PHE A 794 -16.878 9.863 36.819 1.00 22.23 H new ATOM 0 HB3 PHE A 794 -17.255 11.034 37.777 1.00 22.23 H new ATOM 0 HD1 PHE A 794 -16.949 10.376 40.358 1.00 22.27 H new ATOM 0 HD2 PHE A 794 -14.905 8.727 37.328 1.00 24.41 H new ATOM 0 HE1 PHE A 794 -15.301 9.696 41.847 1.00 22.43 H new ATOM 0 HE2 PHE A 794 -13.254 8.039 38.808 1.00 24.25 H new ATOM 0 HZ PHE A 794 -13.448 8.526 41.072 1.00 22.92 H new ATOM 1029 N GLY A 795 -19.803 9.788 35.929 1.00 24.54 N ATOM 1030 CA GLY A 795 -20.790 10.440 35.086 1.00 24.40 C ATOM 1031 C GLY A 795 -22.198 9.941 35.360 1.00 25.18 C ATOM 1032 O GLY A 795 -23.125 10.734 35.518 1.00 24.34 O ATOM 0 H GLY A 795 -19.383 9.136 35.556 1.00 24.54 H new ATOM 0 HA2 GLY A 795 -20.754 11.398 35.231 1.00 24.40 H new ATOM 0 HA3 GLY A 795 -20.570 10.286 34.154 1.00 24.40 H new ATOM 1033 N TRP A 796 -22.354 8.623 35.429 1.00 25.59 N ATOM 1034 CA TRP A 796 -23.656 8.016 35.674 1.00 25.92 C ATOM 1035 C TRP A 796 -24.266 8.455 37.002 1.00 26.62 C ATOM 1036 O TRP A 796 -25.470 8.726 37.086 1.00 25.25 O ATOM 1037 CB TRP A 796 -23.542 6.489 35.638 1.00 26.94 C ATOM 1038 CG TRP A 796 -23.106 5.926 34.310 1.00 27.51 C ATOM 1039 CD1 TRP A 796 -23.305 6.478 33.075 1.00 28.51 C ATOM 1040 CD2 TRP A 796 -22.468 4.661 34.085 1.00 29.29 C ATOM 1041 NE1 TRP A 796 -22.834 5.631 32.095 1.00 28.31 N ATOM 1042 CE2 TRP A 796 -22.316 4.510 32.688 1.00 29.38 C ATOM 1043 CE3 TRP A 796 -22.011 3.637 34.930 1.00 31.10 C ATOM 1044 CZ2 TRP A 796 -21.727 3.376 32.113 1.00 30.18 C ATOM 1045 CZ3 TRP A 796 -21.425 2.508 34.357 1.00 31.62 C ATOM 1046 CH2 TRP A 796 -21.290 2.390 32.958 1.00 30.27 C ATOM 0 H TRP A 796 -21.712 8.059 35.336 1.00 25.59 H new ATOM 0 HA TRP A 796 -24.247 8.321 34.968 1.00 25.92 H new ATOM 0 HB2 TRP A 796 -22.911 6.207 36.319 1.00 26.94 H new ATOM 0 HB3 TRP A 796 -24.402 6.106 35.872 1.00 26.94 H new ATOM 0 HD1 TRP A 796 -23.701 7.305 32.919 1.00 28.51 H new ATOM 0 HE1 TRP A 796 -22.861 5.782 31.249 1.00 28.31 H new ATOM 0 HE3 TRP A 796 -22.097 3.710 35.853 1.00 31.10 H new ATOM 0 HZ2 TRP A 796 -21.636 3.296 31.191 1.00 30.18 H new ATOM 0 HZ3 TRP A 796 -21.119 1.823 34.906 1.00 31.62 H new ATOM 0 HH2 TRP A 796 -20.896 1.627 32.602 1.00 30.27 H new ATOM 1047 N LEU A 797 -23.436 8.524 38.039 1.00 23.63 N ATOM 1048 CA LEU A 797 -23.899 8.929 39.361 1.00 24.46 C ATOM 1049 C LEU A 797 -23.882 10.451 39.550 1.00 23.12 C ATOM 1050 O LEU A 797 -24.298 10.947 40.588 1.00 25.20 O ATOM 1051 CB LEU A 797 -23.037 8.269 40.449 1.00 24.00 C ATOM 1052 CG LEU A 797 -23.102 6.746 40.596 1.00 23.79 C ATOM 1053 CD1 LEU A 797 -22.028 6.280 41.570 1.00 23.67 C ATOM 1054 CD2 LEU A 797 -24.491 6.323 41.094 1.00 25.68 C ATOM 0 H LEU A 797 -22.597 8.339 37.997 1.00 23.63 H new ATOM 0 HA LEU A 797 -24.820 8.634 39.439 1.00 24.46 H new ATOM 0 HB2 LEU A 797 -22.113 8.512 40.283 1.00 24.00 H new ATOM 0 HB3 LEU A 797 -23.284 8.660 41.301 1.00 24.00 H new ATOM 0 HG LEU A 797 -22.945 6.335 39.732 1.00 23.79 H new ATOM 0 HD11 LEU A 797 -22.071 5.315 41.662 1.00 23.67 H new ATOM 0 HD12 LEU A 797 -21.154 6.534 41.234 1.00 23.67 H new ATOM 0 HD13 LEU A 797 -22.174 6.693 42.435 1.00 23.67 H new ATOM 0 HD21 LEU A 797 -24.523 5.358 41.184 1.00 25.68 H new ATOM 0 HD22 LEU A 797 -24.665 6.733 41.955 1.00 25.68 H new ATOM 0 HD23 LEU A 797 -25.164 6.610 40.458 1.00 25.68 H new ATOM 1055 N GLN A 798 -23.415 11.185 38.546 1.00 22.52 N ATOM 1056 CA GLN A 798 -23.349 12.646 38.632 1.00 22.76 C ATOM 1057 C GLN A 798 -22.558 13.086 39.862 1.00 22.88 C ATOM 1058 O GLN A 798 -23.001 13.941 40.630 1.00 23.00 O ATOM 1059 CB GLN A 798 -24.760 13.247 38.680 1.00 23.87 C ATOM 1060 CG GLN A 798 -25.595 12.918 37.452 1.00 24.30 C ATOM 1061 CD GLN A 798 -27.019 13.450 37.538 1.00 27.60 C ATOM 1062 OE1 GLN A 798 -27.914 12.954 36.854 1.00 28.97 O ATOM 1063 NE2 GLN A 798 -27.231 14.462 38.369 1.00 28.43 N ATOM 0 H GLN A 798 -23.130 10.859 37.803 1.00 22.52 H new ATOM 0 HA GLN A 798 -22.894 12.970 37.839 1.00 22.76 H new ATOM 0 HB2 GLN A 798 -25.217 12.921 39.471 1.00 23.87 H new ATOM 0 HB3 GLN A 798 -24.692 14.211 38.769 1.00 23.87 H new ATOM 0 HG2 GLN A 798 -25.164 13.288 36.666 1.00 24.30 H new ATOM 0 HG3 GLN A 798 -25.622 11.956 37.334 1.00 24.30 H new ATOM 0 HE21 GLN A 798 -26.580 14.783 38.831 1.00 28.43 H new ATOM 0 HE22 GLN A 798 -28.019 14.798 38.446 1.00 28.43 H new ATOM 1064 N ILE A 799 -21.381 12.493 40.041 1.00 21.28 N ATOM 1065 CA ILE A 799 -20.515 12.831 41.167 1.00 21.43 C ATOM 1066 C ILE A 799 -20.062 14.287 41.022 1.00 21.30 C ATOM 1067 O ILE A 799 -19.565 14.683 39.969 1.00 23.37 O ATOM 1068 CB ILE A 799 -19.263 11.905 41.198 1.00 20.48 C ATOM 1069 CG1 ILE A 799 -19.692 10.441 41.348 1.00 20.32 C ATOM 1070 CG2 ILE A 799 -18.335 12.310 42.340 1.00 20.23 C ATOM 1071 CD1 ILE A 799 -20.471 10.145 42.618 1.00 22.35 C ATOM 0 H ILE A 799 -21.064 11.888 39.518 1.00 21.28 H new ATOM 0 HA ILE A 799 -21.009 12.709 41.993 1.00 21.43 H new ATOM 0 HB ILE A 799 -18.781 12.001 40.362 1.00 20.48 H new ATOM 0 HG12 ILE A 799 -20.235 10.194 40.583 1.00 20.32 H new ATOM 0 HG13 ILE A 799 -18.901 9.879 41.328 1.00 20.32 H new ATOM 0 HG21 ILE A 799 -17.560 11.727 42.349 1.00 20.23 H new ATOM 0 HG22 ILE A 799 -18.047 13.228 42.214 1.00 20.23 H new ATOM 0 HG23 ILE A 799 -18.807 12.233 43.184 1.00 20.23 H new ATOM 0 HD11 ILE A 799 -20.706 9.204 42.642 1.00 22.35 H new ATOM 0 HD12 ILE A 799 -19.925 10.361 43.390 1.00 22.35 H new ATOM 0 HD13 ILE A 799 -21.280 10.680 42.634 1.00 22.35 H new ATOM 1072 N THR A 800 -20.241 15.086 42.071 1.00 20.83 N ATOM 1073 CA THR A 800 -19.842 16.490 42.021 1.00 21.58 C ATOM 1074 C THR A 800 -18.361 16.600 42.361 1.00 21.50 C ATOM 1075 O THR A 800 -17.786 15.688 42.957 1.00 19.96 O ATOM 1076 CB THR A 800 -20.631 17.347 43.034 1.00 20.70 C ATOM 1077 OG1 THR A 800 -20.203 17.031 44.365 1.00 20.83 O ATOM 1078 CG2 THR A 800 -22.132 17.071 42.912 1.00 21.72 C ATOM 0 H THR A 800 -20.590 14.837 42.817 1.00 20.83 H new ATOM 0 HA THR A 800 -20.026 16.817 41.126 1.00 21.58 H new ATOM 0 HB THR A 800 -20.464 18.284 42.845 1.00 20.70 H new ATOM 0 HG1 THR A 800 -20.773 17.308 44.916 1.00 20.83 H new ATOM 0 HG21 THR A 800 -22.615 17.616 43.554 1.00 21.72 H new ATOM 0 HG22 THR A 800 -22.429 17.289 42.015 1.00 21.72 H new ATOM 0 HG23 THR A 800 -22.304 16.133 43.090 1.00 21.72 H new ATOM 1079 N PRO A 801 -17.723 17.714 41.981 1.00 21.54 N ATOM 1080 CA PRO A 801 -16.296 17.867 42.289 1.00 22.28 C ATOM 1081 C PRO A 801 -16.041 17.808 43.793 1.00 22.58 C ATOM 1082 O PRO A 801 -14.999 17.328 44.237 1.00 23.86 O ATOM 1083 CB PRO A 801 -15.965 19.236 41.702 1.00 21.93 C ATOM 1084 CG PRO A 801 -16.922 19.339 40.530 1.00 22.65 C ATOM 1085 CD PRO A 801 -18.204 18.826 41.138 1.00 21.33 C ATOM 0 HA PRO A 801 -15.744 17.159 41.922 1.00 22.28 H new ATOM 0 HB2 PRO A 801 -16.106 19.948 42.346 1.00 21.93 H new ATOM 0 HB3 PRO A 801 -15.039 19.291 41.417 1.00 21.93 H new ATOM 0 HG2 PRO A 801 -17.010 20.250 40.210 1.00 22.65 H new ATOM 0 HG3 PRO A 801 -16.635 18.800 39.776 1.00 22.65 H new ATOM 0 HD2 PRO A 801 -18.656 19.507 41.660 1.00 21.33 H new ATOM 0 HD3 PRO A 801 -18.831 18.524 40.462 1.00 21.33 H new ATOM 1086 N GLN A 802 -16.999 18.298 44.577 1.00 21.41 N ATOM 1087 CA GLN A 802 -16.857 18.299 46.024 1.00 20.91 C ATOM 1088 C GLN A 802 -16.991 16.893 46.598 1.00 20.60 C ATOM 1089 O GLN A 802 -16.319 16.552 47.572 1.00 20.89 O ATOM 1090 CB GLN A 802 -17.879 19.248 46.661 1.00 21.55 C ATOM 1091 CG GLN A 802 -17.674 20.724 46.296 1.00 22.77 C ATOM 1092 CD GLN A 802 -17.875 20.997 44.811 1.00 25.10 C ATOM 1093 OE1 GLN A 802 -18.886 20.599 44.229 1.00 23.47 O ATOM 1094 NE2 GLN A 802 -16.916 21.687 44.196 1.00 22.69 N ATOM 0 H GLN A 802 -17.736 18.633 44.288 1.00 21.41 H new ATOM 0 HA GLN A 802 -15.966 18.617 46.237 1.00 20.91 H new ATOM 0 HB2 GLN A 802 -18.770 18.978 46.389 1.00 21.55 H new ATOM 0 HB3 GLN A 802 -17.836 19.154 47.625 1.00 21.55 H new ATOM 0 HG2 GLN A 802 -18.293 21.268 46.808 1.00 22.77 H new ATOM 0 HG3 GLN A 802 -16.779 20.995 46.552 1.00 22.77 H new ATOM 0 HE21 GLN A 802 -16.225 21.948 44.636 1.00 22.69 H new ATOM 0 HE22 GLN A 802 -16.988 21.872 43.359 1.00 22.69 H new ATOM 1095 N GLU A 803 -17.858 16.076 46.003 1.00 20.42 N ATOM 1096 CA GLU A 803 -18.013 14.699 46.456 1.00 20.31 C ATOM 1097 C GLU A 803 -16.735 13.947 46.103 1.00 20.51 C ATOM 1098 O GLU A 803 -16.250 13.136 46.892 1.00 21.62 O ATOM 1099 CB GLU A 803 -19.215 14.031 45.776 1.00 21.82 C ATOM 1100 CG GLU A 803 -20.554 14.644 46.187 1.00 22.54 C ATOM 1101 CD GLU A 803 -21.734 14.029 45.459 1.00 25.13 C ATOM 1102 OE1 GLU A 803 -21.588 13.713 44.264 1.00 21.99 O ATOM 1103 OE2 GLU A 803 -22.812 13.876 46.079 1.00 26.38 O ATOM 0 H GLU A 803 -18.361 16.298 45.342 1.00 20.42 H new ATOM 0 HA GLU A 803 -18.170 14.684 47.413 1.00 20.31 H new ATOM 0 HB2 GLU A 803 -19.115 14.101 44.814 1.00 21.82 H new ATOM 0 HB3 GLU A 803 -19.218 13.086 45.993 1.00 21.82 H new ATOM 0 HG2 GLU A 803 -20.676 14.532 47.143 1.00 22.54 H new ATOM 0 HG3 GLU A 803 -20.534 15.598 46.013 1.00 22.54 H new ATOM 1104 N PHE A 804 -16.188 14.224 44.922 1.00 19.26 N ATOM 1105 CA PHE A 804 -14.955 13.565 44.496 1.00 19.29 C ATOM 1106 C PHE A 804 -13.850 13.832 45.511 1.00 17.85 C ATOM 1107 O PHE A 804 -13.207 12.906 45.998 1.00 18.78 O ATOM 1108 CB PHE A 804 -14.511 14.062 43.117 1.00 18.67 C ATOM 1109 CG PHE A 804 -13.090 13.686 42.765 1.00 21.68 C ATOM 1110 CD1 PHE A 804 -12.743 12.358 42.520 1.00 20.02 C ATOM 1111 CD2 PHE A 804 -12.091 14.659 42.738 1.00 22.30 C ATOM 1112 CE1 PHE A 804 -11.416 12.004 42.255 1.00 21.73 C ATOM 1113 CE2 PHE A 804 -10.761 14.317 42.475 1.00 21.14 C ATOM 1114 CZ PHE A 804 -10.425 12.986 42.234 1.00 20.64 C ATOM 0 H PHE A 804 -16.511 14.785 44.356 1.00 19.26 H new ATOM 0 HA PHE A 804 -15.127 12.612 44.439 1.00 19.29 H new ATOM 0 HB2 PHE A 804 -15.109 13.701 42.444 1.00 18.67 H new ATOM 0 HB3 PHE A 804 -14.599 15.028 43.086 1.00 18.67 H new ATOM 0 HD1 PHE A 804 -13.401 11.701 42.533 1.00 20.02 H new ATOM 0 HD2 PHE A 804 -12.313 15.548 42.897 1.00 22.30 H new ATOM 0 HE1 PHE A 804 -11.195 11.115 42.093 1.00 21.73 H new ATOM 0 HE2 PHE A 804 -10.104 14.975 42.461 1.00 21.14 H new ATOM 0 HZ PHE A 804 -9.542 12.753 42.059 1.00 20.64 H new ATOM 1115 N LEU A 805 -13.639 15.101 45.834 1.00 19.07 N ATOM 1116 CA LEU A 805 -12.600 15.476 46.789 1.00 20.57 C ATOM 1117 C LEU A 805 -12.751 14.792 48.140 1.00 21.66 C ATOM 1118 O LEU A 805 -11.782 14.246 48.675 1.00 19.01 O ATOM 1119 CB LEU A 805 -12.594 16.987 46.997 1.00 21.70 C ATOM 1120 CG LEU A 805 -12.205 17.835 45.789 1.00 22.20 C ATOM 1121 CD1 LEU A 805 -12.446 19.294 46.122 1.00 21.08 C ATOM 1122 CD2 LEU A 805 -10.739 17.590 45.416 1.00 23.94 C ATOM 0 H LEU A 805 -14.086 15.762 45.513 1.00 19.07 H new ATOM 0 HA LEU A 805 -11.760 15.180 46.404 1.00 20.57 H new ATOM 0 HB2 LEU A 805 -13.479 17.258 47.287 1.00 21.70 H new ATOM 0 HB3 LEU A 805 -11.983 17.192 47.722 1.00 21.70 H new ATOM 0 HG LEU A 805 -12.747 17.588 45.023 1.00 22.20 H new ATOM 0 HD11 LEU A 805 -12.202 19.844 45.361 1.00 21.08 H new ATOM 0 HD12 LEU A 805 -13.384 19.428 46.330 1.00 21.08 H new ATOM 0 HD13 LEU A 805 -11.906 19.545 46.888 1.00 21.08 H new ATOM 0 HD21 LEU A 805 -10.505 18.134 44.648 1.00 23.94 H new ATOM 0 HD22 LEU A 805 -10.170 17.827 46.165 1.00 23.94 H new ATOM 0 HD23 LEU A 805 -10.612 16.653 45.199 1.00 23.94 H new ATOM 1123 N CYS A 806 -13.961 14.818 48.697 1.00 20.99 N ATOM 1124 CA CYS A 806 -14.186 14.202 50.000 1.00 22.95 C ATOM 1125 C CYS A 806 -14.023 12.684 49.947 1.00 22.23 C ATOM 1126 O CYS A 806 -13.493 12.077 50.881 1.00 21.68 O ATOM 1127 CB CYS A 806 -15.577 14.554 50.540 1.00 24.87 C ATOM 1128 SG CYS A 806 -15.732 14.219 52.317 1.00 31.80 S ATOM 0 H CYS A 806 -14.655 15.182 48.342 1.00 20.99 H new ATOM 0 HA CYS A 806 -13.512 14.558 50.600 1.00 22.95 H new ATOM 0 HB2 CYS A 806 -15.759 15.492 50.373 1.00 24.87 H new ATOM 0 HB3 CYS A 806 -16.247 14.045 50.057 1.00 24.87 H new ATOM 0 HG CYS A 806 -16.649 14.850 52.765 1.00 31.80 H new ATOM 1129 N MET A 807 -14.491 12.076 48.861 1.00 20.50 N ATOM 1130 CA MET A 807 -14.374 10.633 48.688 1.00 20.25 C ATOM 1131 C MET A 807 -12.913 10.227 48.544 1.00 19.05 C ATOM 1132 O MET A 807 -12.483 9.226 49.124 1.00 18.72 O ATOM 1133 CB MET A 807 -15.155 10.171 47.459 1.00 21.37 C ATOM 1134 CG MET A 807 -16.667 10.176 47.656 1.00 21.67 C ATOM 1135 SD MET A 807 -17.524 9.814 46.117 1.00 27.88 S ATOM 1136 CE MET A 807 -17.468 8.128 46.126 1.00 23.40 C ATOM 0 H MET A 807 -14.881 12.483 48.211 1.00 20.50 H new ATOM 0 HA MET A 807 -14.746 10.208 49.477 1.00 20.25 H new ATOM 0 HB2 MET A 807 -14.933 10.745 46.710 1.00 21.37 H new ATOM 0 HB3 MET A 807 -14.871 9.274 47.223 1.00 21.37 H new ATOM 0 HG2 MET A 807 -16.911 9.519 48.327 1.00 21.67 H new ATOM 0 HG3 MET A 807 -16.949 11.042 47.991 1.00 21.67 H new ATOM 0 HE1 MET A 807 -18.236 7.776 45.649 1.00 23.40 H new ATOM 0 HE2 MET A 807 -16.653 7.829 45.693 1.00 23.40 H new ATOM 0 HE3 MET A 807 -17.483 7.808 47.042 1.00 23.40 H new ATOM 1137 N LYS A 808 -12.148 11.000 47.782 1.00 18.65 N ATOM 1138 CA LYS A 808 -10.733 10.675 47.597 1.00 19.61 C ATOM 1139 C LYS A 808 -10.004 10.721 48.933 1.00 19.99 C ATOM 1140 O LYS A 808 -9.175 9.859 49.226 1.00 18.86 O ATOM 1141 CB LYS A 808 -10.076 11.632 46.601 1.00 19.75 C ATOM 1142 CG LYS A 808 -8.630 11.247 46.267 1.00 20.82 C ATOM 1143 CD LYS A 808 -8.183 11.823 44.932 1.00 21.93 C ATOM 1144 CE LYS A 808 -8.248 13.343 44.926 1.00 20.80 C ATOM 1145 NZ LYS A 808 -7.437 13.941 46.025 1.00 23.47 N ATOM 0 H LYS A 808 -12.419 11.704 47.369 1.00 18.65 H new ATOM 0 HA LYS A 808 -10.673 9.777 47.236 1.00 19.61 H new ATOM 0 HB2 LYS A 808 -10.598 11.649 45.784 1.00 19.75 H new ATOM 0 HB3 LYS A 808 -10.090 12.531 46.966 1.00 19.75 H new ATOM 0 HG2 LYS A 808 -8.041 11.564 46.969 1.00 20.82 H new ATOM 0 HG3 LYS A 808 -8.550 10.281 46.245 1.00 20.82 H new ATOM 0 HD2 LYS A 808 -7.276 11.537 44.743 1.00 21.93 H new ATOM 0 HD3 LYS A 808 -8.745 11.472 44.223 1.00 21.93 H new ATOM 0 HE2 LYS A 808 -7.930 13.676 44.072 1.00 20.80 H new ATOM 0 HE3 LYS A 808 -9.171 13.627 45.015 1.00 20.80 H new ATOM 0 HZ1 LYS A 808 -7.244 14.787 45.826 1.00 23.47 H new ATOM 0 HZ2 LYS A 808 -7.900 13.914 46.785 1.00 23.47 H new ATOM 0 HZ3 LYS A 808 -6.682 13.480 46.122 1.00 23.47 H new ATOM 1146 N ALA A 809 -10.316 11.723 49.748 1.00 20.91 N ATOM 1147 CA ALA A 809 -9.703 11.839 51.068 1.00 22.20 C ATOM 1148 C ALA A 809 -10.039 10.599 51.900 1.00 22.96 C ATOM 1149 O ALA A 809 -9.166 10.029 52.561 1.00 19.37 O ATOM 1150 CB ALA A 809 -10.200 13.094 51.776 1.00 21.92 C ATOM 0 H ALA A 809 -10.879 12.345 49.557 1.00 20.91 H new ATOM 0 HA ALA A 809 -8.741 11.905 50.964 1.00 22.20 H new ATOM 0 HB1 ALA A 809 -9.785 13.158 52.650 1.00 21.92 H new ATOM 0 HB2 ALA A 809 -9.968 13.876 51.250 1.00 21.92 H new ATOM 0 HB3 ALA A 809 -11.163 13.048 51.878 1.00 21.92 H new ATOM 1151 N LEU A 810 -11.303 10.174 51.864 1.00 21.52 N ATOM 1152 CA LEU A 810 -11.719 8.992 52.623 1.00 22.75 C ATOM 1153 C LEU A 810 -10.946 7.740 52.207 1.00 22.85 C ATOM 1154 O LEU A 810 -10.690 6.859 53.027 1.00 23.32 O ATOM 1155 CB LEU A 810 -13.225 8.738 52.451 1.00 26.04 C ATOM 1156 CG LEU A 810 -14.108 9.049 53.661 1.00 31.14 C ATOM 1157 CD1 LEU A 810 -15.551 8.700 53.335 1.00 32.05 C ATOM 1158 CD2 LEU A 810 -13.634 8.240 54.877 1.00 30.56 C ATOM 0 H LEU A 810 -11.929 10.551 51.411 1.00 21.52 H new ATOM 0 HA LEU A 810 -11.522 9.175 53.555 1.00 22.75 H new ATOM 0 HB2 LEU A 810 -13.539 9.267 51.701 1.00 26.04 H new ATOM 0 HB3 LEU A 810 -13.351 7.806 52.214 1.00 26.04 H new ATOM 0 HG LEU A 810 -14.045 9.994 53.871 1.00 31.14 H new ATOM 0 HD11 LEU A 810 -16.113 8.896 54.101 1.00 32.05 H new ATOM 0 HD12 LEU A 810 -15.847 9.224 52.575 1.00 32.05 H new ATOM 0 HD13 LEU A 810 -15.615 7.756 53.121 1.00 32.05 H new ATOM 0 HD21 LEU A 810 -14.198 8.442 55.640 1.00 30.56 H new ATOM 0 HD22 LEU A 810 -13.689 7.292 54.677 1.00 30.56 H new ATOM 0 HD23 LEU A 810 -12.716 8.474 55.083 1.00 30.56 H new ATOM 1159 N LEU A 811 -10.575 7.661 50.935 1.00 22.05 N ATOM 1160 CA LEU A 811 -9.825 6.513 50.441 1.00 22.69 C ATOM 1161 C LEU A 811 -8.460 6.358 51.109 1.00 22.38 C ATOM 1162 O LEU A 811 -7.892 5.272 51.110 1.00 23.71 O ATOM 1163 CB LEU A 811 -9.624 6.608 48.930 1.00 23.52 C ATOM 1164 CG LEU A 811 -10.782 6.149 48.048 1.00 25.16 C ATOM 1165 CD1 LEU A 811 -10.393 6.372 46.593 1.00 24.28 C ATOM 1166 CD2 LEU A 811 -11.102 4.671 48.315 1.00 24.06 C ATOM 0 H LEU A 811 -10.747 8.260 50.342 1.00 22.05 H new ATOM 0 HA LEU A 811 -10.357 5.733 50.663 1.00 22.69 H new ATOM 0 HB2 LEU A 811 -9.425 7.531 48.710 1.00 23.52 H new ATOM 0 HB3 LEU A 811 -8.841 6.085 48.696 1.00 23.52 H new ATOM 0 HG LEU A 811 -11.581 6.660 48.250 1.00 25.16 H new ATOM 0 HD11 LEU A 811 -11.118 6.085 46.016 1.00 24.28 H new ATOM 0 HD12 LEU A 811 -10.216 7.314 46.446 1.00 24.28 H new ATOM 0 HD13 LEU A 811 -9.596 5.858 46.389 1.00 24.28 H new ATOM 0 HD21 LEU A 811 -11.839 4.392 47.749 1.00 24.06 H new ATOM 0 HD22 LEU A 811 -10.321 4.130 48.119 1.00 24.06 H new ATOM 0 HD23 LEU A 811 -11.349 4.556 49.246 1.00 24.06 H new ATOM 1167 N LEU A 812 -7.927 7.442 51.661 1.00 21.73 N ATOM 1168 CA LEU A 812 -6.629 7.380 52.331 1.00 22.57 C ATOM 1169 C LEU A 812 -6.762 6.669 53.679 1.00 23.51 C ATOM 1170 O LEU A 812 -5.783 6.160 54.234 1.00 23.95 O ATOM 1171 CB LEU A 812 -6.080 8.794 52.550 1.00 22.90 C ATOM 1172 CG LEU A 812 -4.828 8.921 53.433 1.00 22.38 C ATOM 1173 CD1 LEU A 812 -3.628 8.233 52.774 1.00 22.78 C ATOM 1174 CD2 LEU A 812 -4.534 10.395 53.649 1.00 19.24 C ATOM 0 H LEU A 812 -8.296 8.219 51.660 1.00 21.73 H new ATOM 0 HA LEU A 812 -6.016 6.882 51.768 1.00 22.57 H new ATOM 0 HB2 LEU A 812 -5.879 9.178 51.682 1.00 22.90 H new ATOM 0 HB3 LEU A 812 -6.783 9.334 52.943 1.00 22.90 H new ATOM 0 HG LEU A 812 -4.989 8.487 54.285 1.00 22.38 H new ATOM 0 HD11 LEU A 812 -2.849 8.324 53.345 1.00 22.78 H new ATOM 0 HD12 LEU A 812 -3.825 7.292 52.644 1.00 22.78 H new ATOM 0 HD13 LEU A 812 -3.449 8.647 51.915 1.00 22.78 H new ATOM 0 HD21 LEU A 812 -3.745 10.490 54.205 1.00 19.24 H new ATOM 0 HD22 LEU A 812 -4.378 10.823 52.793 1.00 19.24 H new ATOM 0 HD23 LEU A 812 -5.291 10.815 54.087 1.00 19.24 H new ATOM 1175 N PHE A 813 -7.985 6.636 54.199 1.00 22.37 N ATOM 1176 CA PHE A 813 -8.266 6.017 55.488 1.00 23.21 C ATOM 1177 C PHE A 813 -9.159 4.794 55.306 1.00 24.37 C ATOM 1178 O PHE A 813 -10.057 4.548 56.116 1.00 24.25 O ATOM 1179 CB PHE A 813 -8.984 7.023 56.399 1.00 23.80 C ATOM 1180 CG PHE A 813 -8.311 8.366 56.475 1.00 25.06 C ATOM 1181 CD1 PHE A 813 -7.084 8.510 57.118 1.00 26.77 C ATOM 1182 CD2 PHE A 813 -8.897 9.488 55.894 1.00 23.18 C ATOM 1183 CE1 PHE A 813 -6.450 9.755 57.179 1.00 26.30 C ATOM 1184 CE2 PHE A 813 -8.272 10.736 55.947 1.00 24.21 C ATOM 1185 CZ PHE A 813 -7.047 10.868 56.592 1.00 25.88 C ATOM 0 H PHE A 813 -8.676 6.973 53.813 1.00 22.37 H new ATOM 0 HA PHE A 813 -7.426 5.745 55.889 1.00 23.21 H new ATOM 0 HB2 PHE A 813 -9.892 7.144 56.080 1.00 23.80 H new ATOM 0 HB3 PHE A 813 -9.045 6.651 57.293 1.00 23.80 H new ATOM 0 HD1 PHE A 813 -6.682 7.770 57.511 1.00 26.77 H new ATOM 0 HD2 PHE A 813 -9.717 9.405 55.464 1.00 23.18 H new ATOM 0 HE1 PHE A 813 -5.631 9.840 57.611 1.00 26.30 H new ATOM 0 HE2 PHE A 813 -8.674 11.476 55.552 1.00 24.21 H new ATOM 0 HZ PHE A 813 -6.628 11.697 56.631 1.00 25.88 H new ATOM 1186 N SER A 814 -8.911 4.024 54.253 1.00 24.59 N ATOM 1187 CA SER A 814 -9.735 2.856 53.974 1.00 26.32 C ATOM 1188 C SER A 814 -9.008 1.511 53.903 1.00 25.70 C ATOM 1189 O SER A 814 -9.542 0.541 53.379 1.00 25.20 O ATOM 1190 CB SER A 814 -10.515 3.092 52.677 1.00 26.94 C ATOM 1191 OG SER A 814 -11.415 4.177 52.842 1.00 29.91 O ATOM 0 H SER A 814 -8.274 4.159 53.691 1.00 24.59 H new ATOM 0 HA SER A 814 -10.319 2.771 54.744 1.00 26.32 H new ATOM 0 HB2 SER A 814 -9.900 3.280 51.951 1.00 26.94 H new ATOM 0 HB3 SER A 814 -11.004 2.290 52.435 1.00 26.94 H new ATOM 0 HG SER A 814 -10.982 4.896 52.888 1.00 29.91 H new ATOM 1192 N ILE A 815 -7.794 1.442 54.430 1.00 27.19 N ATOM 1193 CA ILE A 815 -7.058 0.184 54.413 1.00 29.49 C ATOM 1194 C ILE A 815 -6.045 0.184 55.549 1.00 31.27 C ATOM 1195 O ILE A 815 -5.134 1.009 55.586 1.00 32.29 O ATOM 1196 CB ILE A 815 -6.372 -0.048 53.039 1.00 30.38 C ATOM 1197 CG1 ILE A 815 -5.553 -1.343 53.072 1.00 32.71 C ATOM 1198 CG2 ILE A 815 -5.498 1.132 52.682 1.00 33.11 C ATOM 1199 CD1 ILE A 815 -5.218 -1.887 51.693 1.00 31.19 C ATOM 0 H ILE A 815 -7.382 2.101 54.798 1.00 27.19 H new ATOM 0 HA ILE A 815 -7.678 -0.551 54.543 1.00 29.49 H new ATOM 0 HB ILE A 815 -7.056 -0.135 52.356 1.00 30.38 H new ATOM 0 HG12 ILE A 815 -4.728 -1.183 53.557 1.00 32.71 H new ATOM 0 HG13 ILE A 815 -6.047 -2.016 53.566 1.00 32.71 H new ATOM 0 HG21 ILE A 815 -5.076 0.974 51.823 1.00 33.11 H new ATOM 0 HG22 ILE A 815 -6.041 1.934 52.633 1.00 33.11 H new ATOM 0 HG23 ILE A 815 -4.815 1.246 53.361 1.00 33.11 H new ATOM 0 HD11 ILE A 815 -4.701 -2.703 51.784 1.00 31.19 H new ATOM 0 HD12 ILE A 815 -6.039 -2.076 51.211 1.00 31.19 H new ATOM 0 HD13 ILE A 815 -4.700 -1.230 51.203 1.00 31.19 H new ATOM 1200 N ILE A 816 -6.227 -0.744 56.484 1.00 31.67 N ATOM 1201 CA ILE A 816 -5.362 -0.830 57.657 1.00 32.77 C ATOM 1202 C ILE A 816 -4.883 -2.236 58.003 1.00 31.86 C ATOM 1203 O ILE A 816 -5.457 -3.232 57.562 1.00 31.16 O ATOM 1204 CB ILE A 816 -6.079 -0.282 58.903 1.00 34.63 C ATOM 1205 CG1 ILE A 816 -7.402 -1.032 59.094 1.00 35.24 C ATOM 1206 CG2 ILE A 816 -6.305 1.215 58.760 1.00 36.08 C ATOM 1207 CD1 ILE A 816 -8.143 -0.676 60.368 1.00 38.65 C ATOM 0 H ILE A 816 -6.850 -1.337 56.457 1.00 31.67 H new ATOM 0 HA ILE A 816 -4.586 -0.302 57.414 1.00 32.77 H new ATOM 0 HB ILE A 816 -5.528 -0.422 59.689 1.00 34.63 H new ATOM 0 HG12 ILE A 816 -7.978 -0.849 58.335 1.00 35.24 H new ATOM 0 HG13 ILE A 816 -7.224 -1.986 59.091 1.00 35.24 H new ATOM 0 HG21 ILE A 816 -6.757 1.551 59.550 1.00 36.08 H new ATOM 0 HG22 ILE A 816 -5.451 1.664 58.662 1.00 36.08 H new ATOM 0 HG23 ILE A 816 -6.852 1.387 57.977 1.00 36.08 H new ATOM 0 HD11 ILE A 816 -8.965 -1.188 60.418 1.00 38.65 H new ATOM 0 HD12 ILE A 816 -7.586 -0.883 61.135 1.00 38.65 H new ATOM 0 HD13 ILE A 816 -8.352 0.271 60.367 1.00 38.65 H new ATOM 1208 N PRO A 817 -3.821 -2.327 58.824 1.00 32.08 N ATOM 1209 CA PRO A 817 -3.251 -3.609 59.246 1.00 30.29 C ATOM 1210 C PRO A 817 -4.133 -4.313 60.268 1.00 30.27 C ATOM 1211 O PRO A 817 -4.703 -3.673 61.157 1.00 29.80 O ATOM 1212 CB PRO A 817 -1.909 -3.205 59.842 1.00 30.66 C ATOM 1213 CG PRO A 817 -2.226 -1.870 60.460 1.00 32.04 C ATOM 1214 CD PRO A 817 -3.028 -1.204 59.362 1.00 31.85 C ATOM 0 HA PRO A 817 -3.169 -4.246 58.519 1.00 30.29 H new ATOM 0 HB2 PRO A 817 -1.598 -3.845 60.501 1.00 30.66 H new ATOM 0 HB3 PRO A 817 -1.218 -3.136 59.165 1.00 30.66 H new ATOM 0 HG2 PRO A 817 -2.736 -1.960 61.280 1.00 32.04 H new ATOM 0 HG3 PRO A 817 -1.424 -1.371 60.679 1.00 32.04 H new ATOM 0 HD2 PRO A 817 -3.593 -0.495 59.706 1.00 31.85 H new ATOM 0 HD3 PRO A 817 -2.456 -0.808 58.686 1.00 31.85 H new ATOM 1215 N VAL A 818 -4.246 -5.630 60.141 1.00 29.20 N ATOM 1216 CA VAL A 818 -5.046 -6.407 61.076 1.00 29.66 C ATOM 1217 C VAL A 818 -4.451 -6.275 62.480 1.00 30.07 C ATOM 1218 O VAL A 818 -5.181 -6.311 63.476 1.00 27.59 O ATOM 1219 CB VAL A 818 -5.092 -7.903 60.665 1.00 31.44 C ATOM 1220 CG1 VAL A 818 -5.725 -8.732 61.772 1.00 33.98 C ATOM 1221 CG2 VAL A 818 -5.894 -8.060 59.377 1.00 31.85 C ATOM 0 H VAL A 818 -3.868 -6.091 59.521 1.00 29.20 H new ATOM 0 HA VAL A 818 -5.953 -6.064 61.066 1.00 29.66 H new ATOM 0 HB VAL A 818 -4.186 -8.217 60.518 1.00 31.44 H new ATOM 0 HG11 VAL A 818 -5.749 -9.664 61.505 1.00 33.98 H new ATOM 0 HG12 VAL A 818 -5.202 -8.642 62.584 1.00 33.98 H new ATOM 0 HG13 VAL A 818 -6.629 -8.419 61.934 1.00 33.98 H new ATOM 0 HG21 VAL A 818 -5.920 -8.996 59.124 1.00 31.85 H new ATOM 0 HG22 VAL A 818 -6.798 -7.738 59.517 1.00 31.85 H new ATOM 0 HG23 VAL A 818 -5.474 -7.546 58.670 1.00 31.85 H new ATOM 1222 N ASP A 819 -3.130 -6.112 62.554 1.00 27.73 N ATOM 1223 CA ASP A 819 -2.450 -5.967 63.837 1.00 30.74 C ATOM 1224 C ASP A 819 -2.619 -4.579 64.443 1.00 29.95 C ATOM 1225 O ASP A 819 -2.122 -4.313 65.537 1.00 30.41 O ATOM 1226 CB ASP A 819 -0.951 -6.266 63.703 1.00 35.52 C ATOM 1227 CG ASP A 819 -0.670 -7.722 63.407 1.00 40.04 C ATOM 1228 OD1 ASP A 819 -1.402 -8.588 63.937 1.00 43.73 O ATOM 1229 OD2 ASP A 819 0.290 -8.005 62.655 1.00 45.28 O ATOM 0 H ASP A 819 -2.610 -6.083 61.870 1.00 27.73 H new ATOM 0 HA ASP A 819 -2.868 -6.610 64.431 1.00 30.74 H new ATOM 0 HB2 ASP A 819 -0.578 -5.718 62.995 1.00 35.52 H new ATOM 0 HB3 ASP A 819 -0.500 -6.014 64.524 1.00 35.52 H new ATOM 1230 N GLY A 820 -3.309 -3.696 63.729 1.00 28.26 N ATOM 1231 CA GLY A 820 -3.539 -2.354 64.229 1.00 27.67 C ATOM 1232 C GLY A 820 -2.406 -1.379 63.974 1.00 27.76 C ATOM 1233 O GLY A 820 -1.246 -1.775 63.847 1.00 26.12 O ATOM 0 H GLY A 820 -3.650 -3.857 62.956 1.00 28.26 H new ATOM 0 HA2 GLY A 820 -4.347 -2.005 63.822 1.00 27.67 H new ATOM 0 HA3 GLY A 820 -3.700 -2.401 65.184 1.00 27.67 H new ATOM 1234 N LEU A 821 -2.752 -0.099 63.890 1.00 26.47 N ATOM 1235 CA LEU A 821 -1.776 0.960 63.675 1.00 28.66 C ATOM 1236 C LEU A 821 -1.180 1.308 65.037 1.00 30.21 C ATOM 1237 O LEU A 821 -1.694 0.862 66.065 1.00 31.74 O ATOM 1238 CB LEU A 821 -2.465 2.191 63.085 1.00 25.67 C ATOM 1239 CG LEU A 821 -3.025 2.050 61.667 1.00 25.05 C ATOM 1240 CD1 LEU A 821 -3.903 3.251 61.338 1.00 23.31 C ATOM 1241 CD2 LEU A 821 -1.870 1.937 60.673 1.00 25.98 C ATOM 0 H LEU A 821 -3.563 0.180 63.956 1.00 26.47 H new ATOM 0 HA LEU A 821 -1.086 0.671 63.057 1.00 28.66 H new ATOM 0 HB2 LEU A 821 -3.193 2.443 63.675 1.00 25.67 H new ATOM 0 HB3 LEU A 821 -1.830 2.925 63.089 1.00 25.67 H new ATOM 0 HG LEU A 821 -3.567 1.248 61.608 1.00 25.05 H new ATOM 0 HD11 LEU A 821 -4.256 3.158 60.439 1.00 23.31 H new ATOM 0 HD12 LEU A 821 -4.638 3.298 61.970 1.00 23.31 H new ATOM 0 HD13 LEU A 821 -3.376 4.063 61.395 1.00 23.31 H new ATOM 0 HD21 LEU A 821 -2.224 1.848 59.774 1.00 25.98 H new ATOM 0 HD22 LEU A 821 -1.319 2.733 60.725 1.00 25.98 H new ATOM 0 HD23 LEU A 821 -1.333 1.158 60.888 1.00 25.98 H new ATOM 1242 N LYS A 822 -0.107 2.095 65.057 1.00 30.28 N ATOM 1243 CA LYS A 822 0.502 2.472 66.330 1.00 31.30 C ATOM 1244 C LYS A 822 -0.506 3.205 67.203 1.00 30.95 C ATOM 1245 O LYS A 822 -0.604 2.943 68.401 1.00 31.26 O ATOM 1246 CB LYS A 822 1.750 3.325 66.107 1.00 32.22 C ATOM 1247 CG LYS A 822 2.919 2.494 65.615 1.00 37.16 C ATOM 1248 CD LYS A 822 4.237 3.232 65.731 1.00 40.49 C ATOM 1249 CE LYS A 822 5.397 2.278 65.482 1.00 42.97 C ATOM 1250 NZ LYS A 822 5.278 1.584 64.166 1.00 44.36 N ATOM 0 H LYS A 822 0.278 2.416 64.358 1.00 30.28 H new ATOM 0 HA LYS A 822 0.774 1.662 66.790 1.00 31.30 H new ATOM 0 HB2 LYS A 822 1.554 4.022 65.462 1.00 32.22 H new ATOM 0 HB3 LYS A 822 1.993 3.766 66.936 1.00 32.22 H new ATOM 0 HG2 LYS A 822 2.966 1.671 66.126 1.00 37.16 H new ATOM 0 HG3 LYS A 822 2.770 2.246 64.689 1.00 37.16 H new ATOM 0 HD2 LYS A 822 4.265 3.960 65.091 1.00 40.49 H new ATOM 0 HD3 LYS A 822 4.318 3.627 66.613 1.00 40.49 H new ATOM 0 HE2 LYS A 822 6.232 2.771 65.513 1.00 42.97 H new ATOM 0 HE3 LYS A 822 5.431 1.619 66.193 1.00 42.97 H new ATOM 0 HZ1 LYS A 822 6.069 1.248 63.935 1.00 44.36 H new ATOM 0 HZ2 LYS A 822 4.684 0.925 64.230 1.00 44.36 H new ATOM 0 HZ3 LYS A 822 5.010 2.165 63.547 1.00 44.36 H new ATOM 1251 N ASN A 823 -1.244 4.138 66.612 1.00 30.10 N ATOM 1252 CA ASN A 823 -2.283 4.830 67.360 1.00 31.58 C ATOM 1253 C ASN A 823 -3.567 4.678 66.555 1.00 29.72 C ATOM 1254 O ASN A 823 -4.018 5.605 65.884 1.00 30.18 O ATOM 1255 CB ASN A 823 -1.966 6.307 67.564 1.00 34.73 C ATOM 1256 CG ASN A 823 -2.797 6.919 68.682 1.00 39.86 C ATOM 1257 OD1 ASN A 823 -4.021 6.743 68.737 1.00 38.97 O ATOM 1258 ND2 ASN A 823 -2.135 7.635 69.585 1.00 41.61 N ATOM 0 H ASN A 823 -1.161 4.382 65.791 1.00 30.10 H new ATOM 0 HA ASN A 823 -2.360 4.446 68.247 1.00 31.58 H new ATOM 0 HB2 ASN A 823 -1.024 6.409 67.769 1.00 34.73 H new ATOM 0 HB3 ASN A 823 -2.130 6.789 66.739 1.00 34.73 H new ATOM 0 HD21 ASN A 823 -2.558 7.998 70.240 1.00 41.61 H new ATOM 0 HD22 ASN A 823 -1.284 7.736 69.514 1.00 41.61 H new ATOM 1259 N GLN A 824 -4.138 3.484 66.626 1.00 28.32 N ATOM 1260 CA GLN A 824 -5.357 3.147 65.911 1.00 27.15 C ATOM 1261 C GLN A 824 -6.525 4.051 66.291 1.00 27.71 C ATOM 1262 O GLN A 824 -7.350 4.402 65.448 1.00 26.74 O ATOM 1263 CB GLN A 824 -5.721 1.686 66.192 1.00 28.44 C ATOM 1264 CG GLN A 824 -6.892 1.153 65.388 1.00 27.53 C ATOM 1265 CD GLN A 824 -6.606 1.123 63.905 1.00 27.94 C ATOM 1266 OE1 GLN A 824 -5.598 0.564 63.467 1.00 28.09 O ATOM 1267 NE2 GLN A 824 -7.494 1.722 63.118 1.00 26.18 N ATOM 0 H GLN A 824 -3.823 2.838 67.098 1.00 28.32 H new ATOM 0 HA GLN A 824 -5.189 3.279 64.965 1.00 27.15 H new ATOM 0 HB2 GLN A 824 -4.944 1.133 66.013 1.00 28.44 H new ATOM 0 HB3 GLN A 824 -5.925 1.593 67.136 1.00 28.44 H new ATOM 0 HG2 GLN A 824 -7.108 0.257 65.691 1.00 27.53 H new ATOM 0 HG3 GLN A 824 -7.672 1.705 65.553 1.00 27.53 H new ATOM 0 HE21 GLN A 824 -8.185 2.102 63.461 1.00 26.18 H new ATOM 0 HE22 GLN A 824 -7.377 1.730 62.266 1.00 26.18 H new ATOM 1268 N LYS A 825 -6.594 4.439 67.557 1.00 28.43 N ATOM 1269 CA LYS A 825 -7.695 5.282 68.006 1.00 30.66 C ATOM 1270 C LYS A 825 -7.744 6.627 67.286 1.00 30.28 C ATOM 1271 O LYS A 825 -8.818 7.066 66.867 1.00 29.61 O ATOM 1272 CB LYS A 825 -7.626 5.456 69.527 1.00 32.34 C ATOM 1273 CG LYS A 825 -7.825 4.129 70.253 1.00 34.92 C ATOM 1274 CD LYS A 825 -8.014 4.281 71.757 1.00 39.10 C ATOM 1275 CE LYS A 825 -8.273 2.921 72.398 1.00 39.94 C ATOM 1276 NZ LYS A 825 -8.517 2.976 73.872 1.00 43.34 N ATOM 0 H LYS A 825 -6.023 4.230 68.165 1.00 28.43 H new ATOM 0 HA LYS A 825 -8.524 4.833 67.777 1.00 30.66 H new ATOM 0 HB2 LYS A 825 -6.767 5.834 69.772 1.00 32.34 H new ATOM 0 HB3 LYS A 825 -8.305 6.087 69.812 1.00 32.34 H new ATOM 0 HG2 LYS A 825 -8.599 3.678 69.881 1.00 34.92 H new ATOM 0 HG3 LYS A 825 -7.058 3.559 70.087 1.00 34.92 H new ATOM 0 HD2 LYS A 825 -7.224 4.685 72.149 1.00 39.10 H new ATOM 0 HD3 LYS A 825 -8.757 4.877 71.937 1.00 39.10 H new ATOM 0 HE2 LYS A 825 -9.041 2.513 71.968 1.00 39.94 H new ATOM 0 HE3 LYS A 825 -7.512 2.344 72.227 1.00 39.94 H new ATOM 0 HZ1 LYS A 825 -8.660 2.153 74.180 1.00 43.34 H new ATOM 0 HZ2 LYS A 825 -7.806 3.325 74.278 1.00 43.34 H new ATOM 0 HZ3 LYS A 825 -9.230 3.482 74.036 1.00 43.34 H new ATOM 1277 N PHE A 826 -6.592 7.272 67.118 1.00 29.16 N ATOM 1278 CA PHE A 826 -6.554 8.552 66.417 1.00 30.81 C ATOM 1279 C PHE A 826 -7.003 8.359 64.970 1.00 28.06 C ATOM 1280 O PHE A 826 -7.696 9.206 64.414 1.00 28.97 O ATOM 1281 CB PHE A 826 -5.145 9.158 66.426 1.00 33.92 C ATOM 1282 CG PHE A 826 -4.702 9.686 67.768 1.00 39.79 C ATOM 1283 CD1 PHE A 826 -5.620 9.948 68.782 1.00 42.45 C ATOM 1284 CD2 PHE A 826 -3.355 9.958 68.003 1.00 42.15 C ATOM 1285 CE1 PHE A 826 -5.201 10.474 70.010 1.00 43.17 C ATOM 1286 CE2 PHE A 826 -2.927 10.481 69.223 1.00 42.88 C ATOM 1287 CZ PHE A 826 -3.853 10.740 70.228 1.00 43.88 C ATOM 0 H PHE A 826 -5.830 6.989 67.399 1.00 29.16 H new ATOM 0 HA PHE A 826 -7.153 9.160 66.878 1.00 30.81 H new ATOM 0 HB2 PHE A 826 -4.513 8.484 66.131 1.00 33.92 H new ATOM 0 HB3 PHE A 826 -5.111 9.880 65.779 1.00 33.92 H new ATOM 0 HD1 PHE A 826 -6.522 9.771 68.642 1.00 42.45 H new ATOM 0 HD2 PHE A 826 -2.731 9.788 67.335 1.00 42.15 H new ATOM 0 HE1 PHE A 826 -5.823 10.645 70.679 1.00 43.17 H new ATOM 0 HE2 PHE A 826 -2.025 10.656 69.364 1.00 42.88 H new ATOM 0 HZ PHE A 826 -3.572 11.090 71.043 1.00 43.88 H new ATOM 1288 N PHE A 827 -6.591 7.250 64.357 1.00 26.77 N ATOM 1289 CA PHE A 827 -6.976 6.959 62.980 1.00 24.97 C ATOM 1290 C PHE A 827 -8.494 6.801 62.886 1.00 24.69 C ATOM 1291 O PHE A 827 -9.127 7.344 61.982 1.00 22.98 O ATOM 1292 CB PHE A 827 -6.291 5.679 62.483 1.00 24.07 C ATOM 1293 CG PHE A 827 -6.785 5.199 61.137 1.00 24.98 C ATOM 1294 CD1 PHE A 827 -7.979 4.486 61.028 1.00 24.21 C ATOM 1295 CD2 PHE A 827 -6.055 5.461 59.977 1.00 23.97 C ATOM 1296 CE1 PHE A 827 -8.434 4.040 59.784 1.00 25.79 C ATOM 1297 CE2 PHE A 827 -6.501 5.022 58.729 1.00 24.42 C ATOM 1298 CZ PHE A 827 -7.694 4.308 58.634 1.00 25.60 C ATOM 0 H PHE A 827 -6.089 6.655 64.722 1.00 26.77 H new ATOM 0 HA PHE A 827 -6.693 7.699 62.420 1.00 24.97 H new ATOM 0 HB2 PHE A 827 -5.335 5.835 62.429 1.00 24.07 H new ATOM 0 HB3 PHE A 827 -6.428 4.976 63.137 1.00 24.07 H new ATOM 0 HD1 PHE A 827 -8.478 4.305 61.792 1.00 24.21 H new ATOM 0 HD2 PHE A 827 -5.258 5.936 60.036 1.00 23.97 H new ATOM 0 HE1 PHE A 827 -9.231 3.564 59.724 1.00 25.79 H new ATOM 0 HE2 PHE A 827 -6.004 5.205 57.964 1.00 24.42 H new ATOM 0 HZ PHE A 827 -7.995 4.011 57.806 1.00 25.60 H new ATOM 1299 N ASP A 828 -9.071 6.052 63.821 1.00 24.04 N ATOM 1300 CA ASP A 828 -10.513 5.830 63.812 1.00 26.32 C ATOM 1301 C ASP A 828 -11.258 7.153 63.929 1.00 26.34 C ATOM 1302 O ASP A 828 -12.275 7.368 63.265 1.00 26.78 O ATOM 1303 CB ASP A 828 -10.934 4.906 64.963 1.00 26.71 C ATOM 1304 CG ASP A 828 -10.291 3.530 64.881 1.00 27.66 C ATOM 1305 OD1 ASP A 828 -9.888 3.116 63.775 1.00 28.23 O ATOM 1306 OD2 ASP A 828 -10.208 2.851 65.925 1.00 29.44 O ATOM 0 H ASP A 828 -8.650 5.666 64.464 1.00 24.04 H new ATOM 0 HA ASP A 828 -10.740 5.406 62.970 1.00 26.32 H new ATOM 0 HB2 ASP A 828 -10.696 5.320 65.808 1.00 26.71 H new ATOM 0 HB3 ASP A 828 -11.899 4.808 64.957 1.00 26.71 H new ATOM 1307 N GLU A 829 -10.743 8.040 64.772 1.00 26.49 N ATOM 1308 CA GLU A 829 -11.358 9.344 64.981 1.00 29.82 C ATOM 1309 C GLU A 829 -11.301 10.172 63.700 1.00 29.24 C ATOM 1310 O GLU A 829 -12.279 10.810 63.313 1.00 27.63 O ATOM 1311 CB GLU A 829 -10.640 10.085 66.115 1.00 32.89 C ATOM 1312 CG GLU A 829 -11.374 11.320 66.619 1.00 40.71 C ATOM 1313 CD GLU A 829 -10.589 12.079 67.677 1.00 45.03 C ATOM 1314 OE1 GLU A 829 -9.994 13.129 67.341 1.00 46.02 O ATOM 1315 OE2 GLU A 829 -10.555 11.616 68.841 1.00 47.12 O ATOM 0 H GLU A 829 -10.032 7.904 65.236 1.00 26.49 H new ATOM 0 HA GLU A 829 -12.288 9.213 65.225 1.00 29.82 H new ATOM 0 HB2 GLU A 829 -10.511 9.473 66.857 1.00 32.89 H new ATOM 0 HB3 GLU A 829 -9.758 10.348 65.808 1.00 32.89 H new ATOM 0 HG2 GLU A 829 -11.556 11.911 65.871 1.00 40.71 H new ATOM 0 HG3 GLU A 829 -12.231 11.054 66.987 1.00 40.71 H new ATOM 1316 N LEU A 830 -10.149 10.150 63.040 1.00 27.74 N ATOM 1317 CA LEU A 830 -9.964 10.905 61.810 1.00 28.93 C ATOM 1318 C LEU A 830 -10.908 10.390 60.727 1.00 27.70 C ATOM 1319 O LEU A 830 -11.581 11.173 60.051 1.00 28.52 O ATOM 1320 CB LEU A 830 -8.507 10.790 61.350 1.00 30.02 C ATOM 1321 CG LEU A 830 -7.995 11.813 60.337 1.00 32.75 C ATOM 1322 CD1 LEU A 830 -8.252 13.232 60.836 1.00 33.59 C ATOM 1323 CD2 LEU A 830 -6.506 11.583 60.121 1.00 33.84 C ATOM 0 H LEU A 830 -9.459 9.701 63.290 1.00 27.74 H new ATOM 0 HA LEU A 830 -10.170 11.838 61.975 1.00 28.93 H new ATOM 0 HB2 LEU A 830 -7.942 10.841 62.136 1.00 30.02 H new ATOM 0 HB3 LEU A 830 -8.384 9.906 60.969 1.00 30.02 H new ATOM 0 HG LEU A 830 -8.466 11.705 59.496 1.00 32.75 H new ATOM 0 HD11 LEU A 830 -7.922 13.869 60.183 1.00 33.59 H new ATOM 0 HD12 LEU A 830 -9.205 13.363 60.963 1.00 33.59 H new ATOM 0 HD13 LEU A 830 -7.793 13.367 61.680 1.00 33.59 H new ATOM 0 HD21 LEU A 830 -6.169 12.227 59.479 1.00 33.84 H new ATOM 0 HD22 LEU A 830 -6.036 11.690 60.963 1.00 33.84 H new ATOM 0 HD23 LEU A 830 -6.363 10.685 59.783 1.00 33.84 H new ATOM 1324 N ARG A 831 -10.962 9.069 60.577 1.00 26.92 N ATOM 1325 CA ARG A 831 -11.835 8.438 59.592 1.00 26.97 C ATOM 1326 C ARG A 831 -13.292 8.822 59.850 1.00 28.01 C ATOM 1327 O ARG A 831 -14.044 9.125 58.923 1.00 26.91 O ATOM 1328 CB ARG A 831 -11.681 6.913 59.642 1.00 27.83 C ATOM 1329 CG ARG A 831 -12.565 6.169 58.652 1.00 29.77 C ATOM 1330 CD ARG A 831 -12.491 4.665 58.848 1.00 30.32 C ATOM 1331 NE ARG A 831 -13.607 3.979 58.203 1.00 30.36 N ATOM 1332 CZ ARG A 831 -13.729 3.820 56.890 1.00 30.71 C ATOM 1333 NH1 ARG A 831 -12.796 4.295 56.067 1.00 32.06 N ATOM 1334 NH2 ARG A 831 -14.783 3.187 56.398 1.00 27.24 N ATOM 0 H ARG A 831 -10.495 8.516 61.041 1.00 26.92 H new ATOM 0 HA ARG A 831 -11.579 8.751 58.710 1.00 26.97 H new ATOM 0 HB2 ARG A 831 -10.754 6.685 59.469 1.00 27.83 H new ATOM 0 HB3 ARG A 831 -11.886 6.606 60.539 1.00 27.83 H new ATOM 0 HG2 ARG A 831 -13.484 6.464 58.754 1.00 29.77 H new ATOM 0 HG3 ARG A 831 -12.295 6.391 57.747 1.00 29.77 H new ATOM 0 HD2 ARG A 831 -11.654 4.332 58.487 1.00 30.32 H new ATOM 0 HD3 ARG A 831 -12.491 4.462 59.797 1.00 30.32 H new ATOM 0 HE ARG A 831 -14.226 3.657 58.706 1.00 30.36 H new ATOM 0 HH11 ARG A 831 -12.111 4.707 56.385 1.00 32.06 H new ATOM 0 HH12 ARG A 831 -12.878 4.190 55.217 1.00 32.06 H new ATOM 0 HH21 ARG A 831 -15.386 2.880 56.928 1.00 27.24 H new ATOM 0 HH22 ARG A 831 -14.864 3.083 55.548 1.00 27.24 H new ATOM 1335 N MET A 832 -13.694 8.817 61.116 1.00 28.07 N ATOM 1336 CA MET A 832 -15.065 9.180 61.447 1.00 29.90 C ATOM 1337 C MET A 832 -15.347 10.616 61.026 1.00 28.82 C ATOM 1338 O MET A 832 -16.411 10.912 60.492 1.00 28.61 O ATOM 1339 CB MET A 832 -15.338 9.021 62.948 1.00 33.39 C ATOM 1340 CG MET A 832 -16.747 9.442 63.349 1.00 41.84 C ATOM 1341 SD MET A 832 -17.969 8.990 62.087 1.00 51.89 S ATOM 1342 CE MET A 832 -18.857 10.538 61.872 1.00 48.63 C ATOM 0 H MET A 832 -13.198 8.610 61.787 1.00 28.07 H new ATOM 0 HA MET A 832 -15.654 8.579 60.964 1.00 29.90 H new ATOM 0 HB2 MET A 832 -15.199 8.095 63.200 1.00 33.39 H new ATOM 0 HB3 MET A 832 -14.695 9.549 63.446 1.00 33.39 H new ATOM 0 HG2 MET A 832 -16.982 9.023 64.192 1.00 41.84 H new ATOM 0 HG3 MET A 832 -16.770 10.401 63.493 1.00 41.84 H new ATOM 0 HE1 MET A 832 -18.953 10.727 60.926 1.00 48.63 H new ATOM 0 HE2 MET A 832 -19.735 10.467 62.278 1.00 48.63 H new ATOM 0 HE3 MET A 832 -18.363 11.257 62.296 1.00 48.63 H new ATOM 1343 N ASN A 833 -14.392 11.512 61.249 1.00 28.19 N ATOM 1344 CA ASN A 833 -14.599 12.904 60.875 1.00 28.11 C ATOM 1345 C ASN A 833 -14.745 13.117 59.375 1.00 27.79 C ATOM 1346 O ASN A 833 -15.546 13.946 58.941 1.00 27.25 O ATOM 1347 CB ASN A 833 -13.479 13.785 61.424 1.00 31.53 C ATOM 1348 CG ASN A 833 -13.572 13.957 62.925 1.00 36.47 C ATOM 1349 OD1 ASN A 833 -14.657 14.197 63.461 1.00 39.21 O ATOM 1350 ND2 ASN A 833 -12.443 13.838 63.612 1.00 35.77 N ATOM 0 H ASN A 833 -13.630 11.339 61.609 1.00 28.19 H new ATOM 0 HA ASN A 833 -15.444 13.163 61.275 1.00 28.11 H new ATOM 0 HB2 ASN A 833 -12.621 13.394 61.197 1.00 31.53 H new ATOM 0 HB3 ASN A 833 -13.515 14.655 60.997 1.00 31.53 H new ATOM 0 HD21 ASN A 833 -12.448 13.929 64.467 1.00 35.77 H new ATOM 0 HD22 ASN A 833 -11.706 13.670 63.202 1.00 35.77 H new ATOM 1351 N TYR A 834 -13.988 12.368 58.579 1.00 25.31 N ATOM 1352 CA TYR A 834 -14.095 12.504 57.136 1.00 23.84 C ATOM 1353 C TYR A 834 -15.430 11.952 56.651 1.00 24.77 C ATOM 1354 O TYR A 834 -16.001 12.445 55.681 1.00 23.18 O ATOM 1355 CB TYR A 834 -12.920 11.807 56.446 1.00 23.93 C ATOM 1356 CG TYR A 834 -11.704 12.702 56.396 1.00 23.74 C ATOM 1357 CD1 TYR A 834 -10.914 12.907 57.524 1.00 25.71 C ATOM 1358 CD2 TYR A 834 -11.397 13.413 55.236 1.00 25.95 C ATOM 1359 CE1 TYR A 834 -9.847 13.803 57.503 1.00 24.66 C ATOM 1360 CE2 TYR A 834 -10.335 14.313 55.201 1.00 24.95 C ATOM 1361 CZ TYR A 834 -9.566 14.504 56.339 1.00 26.14 C ATOM 1362 OH TYR A 834 -8.537 15.418 56.313 1.00 25.35 O ATOM 0 H TYR A 834 -13.416 11.786 58.851 1.00 25.31 H new ATOM 0 HA TYR A 834 -14.059 13.445 56.905 1.00 23.84 H new ATOM 0 HB2 TYR A 834 -12.703 10.989 56.920 1.00 23.93 H new ATOM 0 HB3 TYR A 834 -13.175 11.554 55.545 1.00 23.93 H new ATOM 0 HD1 TYR A 834 -11.102 12.438 58.305 1.00 25.71 H new ATOM 0 HD2 TYR A 834 -11.911 13.284 54.472 1.00 25.95 H new ATOM 0 HE1 TYR A 834 -9.327 13.930 58.264 1.00 24.66 H new ATOM 0 HE2 TYR A 834 -10.143 14.782 54.421 1.00 24.95 H new ATOM 0 HH TYR A 834 -8.234 15.521 57.090 1.00 25.35 H new ATOM 1363 N ILE A 835 -15.931 10.929 57.332 1.00 25.01 N ATOM 1364 CA ILE A 835 -17.222 10.360 56.959 1.00 26.05 C ATOM 1365 C ILE A 835 -18.290 11.414 57.267 1.00 25.73 C ATOM 1366 O ILE A 835 -19.224 11.618 56.491 1.00 26.98 O ATOM 1367 CB ILE A 835 -17.494 9.053 57.743 1.00 27.00 C ATOM 1368 CG1 ILE A 835 -16.589 7.942 57.197 1.00 27.91 C ATOM 1369 CG2 ILE A 835 -18.971 8.660 57.636 1.00 28.68 C ATOM 1370 CD1 ILE A 835 -16.730 6.616 57.902 1.00 30.40 C ATOM 0 H ILE A 835 -15.547 10.553 58.004 1.00 25.01 H new ATOM 0 HA ILE A 835 -17.234 10.131 56.016 1.00 26.05 H new ATOM 0 HB ILE A 835 -17.294 9.191 58.682 1.00 27.00 H new ATOM 0 HG12 ILE A 835 -16.783 7.817 56.255 1.00 27.91 H new ATOM 0 HG13 ILE A 835 -15.666 8.232 57.260 1.00 27.91 H new ATOM 0 HG21 ILE A 835 -19.125 7.841 58.132 1.00 28.68 H new ATOM 0 HG22 ILE A 835 -19.522 9.368 58.004 1.00 28.68 H new ATOM 0 HG23 ILE A 835 -19.203 8.522 56.704 1.00 28.68 H new ATOM 0 HD11 ILE A 835 -16.128 5.970 57.500 1.00 30.40 H new ATOM 0 HD12 ILE A 835 -16.509 6.723 58.840 1.00 30.40 H new ATOM 0 HD13 ILE A 835 -17.644 6.301 57.819 1.00 30.40 H new ATOM 1371 N LYS A 836 -18.128 12.094 58.398 1.00 26.01 N ATOM 1372 CA LYS A 836 -19.058 13.141 58.807 1.00 27.93 C ATOM 1373 C LYS A 836 -19.076 14.277 57.786 1.00 27.31 C ATOM 1374 O LYS A 836 -20.131 14.837 57.485 1.00 26.07 O ATOM 1375 CB LYS A 836 -18.662 13.701 60.173 1.00 31.24 C ATOM 1376 CG LYS A 836 -19.541 14.849 60.637 1.00 36.25 C ATOM 1377 CD LYS A 836 -19.006 15.503 61.904 1.00 42.47 C ATOM 1378 CE LYS A 836 -19.010 14.543 63.087 1.00 45.17 C ATOM 1379 NZ LYS A 836 -18.497 15.210 64.322 1.00 47.92 N ATOM 0 H LYS A 836 -17.479 11.962 58.947 1.00 26.01 H new ATOM 0 HA LYS A 836 -19.943 12.748 58.862 1.00 27.93 H new ATOM 0 HB2 LYS A 836 -18.700 12.988 60.830 1.00 31.24 H new ATOM 0 HB3 LYS A 836 -17.741 14.003 60.136 1.00 31.24 H new ATOM 0 HG2 LYS A 836 -19.602 15.513 59.933 1.00 36.25 H new ATOM 0 HG3 LYS A 836 -20.440 14.522 60.798 1.00 36.25 H new ATOM 0 HD2 LYS A 836 -18.102 15.818 61.747 1.00 42.47 H new ATOM 0 HD3 LYS A 836 -19.545 16.281 62.118 1.00 42.47 H new ATOM 0 HE2 LYS A 836 -19.911 14.219 63.241 1.00 45.17 H new ATOM 0 HE3 LYS A 836 -18.462 13.770 62.882 1.00 45.17 H new ATOM 0 HZ1 LYS A 836 -18.508 14.632 64.998 1.00 47.92 H new ATOM 0 HZ2 LYS A 836 -17.663 15.489 64.184 1.00 47.92 H new ATOM 0 HZ3 LYS A 836 -19.014 15.907 64.520 1.00 47.92 H new ATOM 1380 N GLU A 837 -17.906 14.624 57.260 1.00 26.14 N ATOM 1381 CA GLU A 837 -17.825 15.686 56.268 1.00 25.92 C ATOM 1382 C GLU A 837 -18.542 15.267 54.986 1.00 25.65 C ATOM 1383 O GLU A 837 -19.176 16.092 54.322 1.00 24.85 O ATOM 1384 CB GLU A 837 -16.363 16.033 55.963 1.00 26.28 C ATOM 1385 CG GLU A 837 -15.627 16.737 57.098 1.00 28.82 C ATOM 1386 CD GLU A 837 -16.327 18.006 57.571 1.00 30.39 C ATOM 1387 OE1 GLU A 837 -16.897 18.736 56.733 1.00 31.58 O ATOM 1388 OE2 GLU A 837 -16.296 18.283 58.787 1.00 33.09 O ATOM 0 H GLU A 837 -17.154 14.260 57.463 1.00 26.14 H new ATOM 0 HA GLU A 837 -18.259 16.474 56.630 1.00 25.92 H new ATOM 0 HB2 GLU A 837 -15.888 15.216 55.743 1.00 26.28 H new ATOM 0 HB3 GLU A 837 -16.335 16.598 55.175 1.00 26.28 H new ATOM 0 HG2 GLU A 837 -15.538 16.126 57.846 1.00 28.82 H new ATOM 0 HG3 GLU A 837 -14.730 16.960 56.805 1.00 28.82 H new ATOM 1389 N LEU A 838 -18.443 13.986 54.634 1.00 24.75 N ATOM 1390 CA LEU A 838 -19.120 13.494 53.439 1.00 25.45 C ATOM 1391 C LEU A 838 -20.626 13.619 53.665 1.00 26.55 C ATOM 1392 O LEU A 838 -21.368 13.951 52.744 1.00 27.19 O ATOM 1393 CB LEU A 838 -18.753 12.030 53.160 1.00 24.95 C ATOM 1394 CG LEU A 838 -19.278 11.440 51.846 1.00 24.10 C ATOM 1395 CD1 LEU A 838 -18.799 12.287 50.670 1.00 25.53 C ATOM 1396 CD2 LEU A 838 -18.794 10.001 51.691 1.00 25.75 C ATOM 0 H LEU A 838 -17.995 13.394 55.068 1.00 24.75 H new ATOM 0 HA LEU A 838 -18.844 14.017 52.671 1.00 25.45 H new ATOM 0 HB2 LEU A 838 -17.786 11.952 53.165 1.00 24.95 H new ATOM 0 HB3 LEU A 838 -19.085 11.487 53.892 1.00 24.95 H new ATOM 0 HG LEU A 838 -20.248 11.443 51.861 1.00 24.10 H new ATOM 0 HD11 LEU A 838 -19.134 11.910 49.842 1.00 25.53 H new ATOM 0 HD12 LEU A 838 -19.129 13.194 50.768 1.00 25.53 H new ATOM 0 HD13 LEU A 838 -17.829 12.297 50.652 1.00 25.53 H new ATOM 0 HD21 LEU A 838 -19.130 9.634 50.858 1.00 25.75 H new ATOM 0 HD22 LEU A 838 -17.824 9.985 51.683 1.00 25.75 H new ATOM 0 HD23 LEU A 838 -19.120 9.468 52.433 1.00 25.75 H new ATOM 1397 N ASP A 839 -21.069 13.358 54.891 1.00 27.20 N ATOM 1398 CA ASP A 839 -22.491 13.466 55.220 1.00 29.54 C ATOM 1399 C ASP A 839 -22.960 14.886 54.964 1.00 30.51 C ATOM 1400 O ASP A 839 -24.019 15.111 54.378 1.00 30.87 O ATOM 1401 CB ASP A 839 -22.760 13.141 56.693 1.00 28.83 C ATOM 1402 CG ASP A 839 -22.650 11.666 57.004 1.00 29.62 C ATOM 1403 OD1 ASP A 839 -22.969 10.833 56.129 1.00 29.98 O ATOM 1404 OD2 ASP A 839 -22.269 11.337 58.144 1.00 32.11 O ATOM 0 H ASP A 839 -20.566 13.118 55.546 1.00 27.20 H new ATOM 0 HA ASP A 839 -22.968 12.830 54.664 1.00 29.54 H new ATOM 0 HB2 ASP A 839 -22.132 13.631 57.247 1.00 28.83 H new ATOM 0 HB3 ASP A 839 -23.648 13.451 56.930 1.00 28.83 H new ATOM 1405 N ARG A 840 -22.157 15.844 55.418 1.00 30.69 N ATOM 1406 CA ARG A 840 -22.482 17.254 55.263 1.00 32.10 C ATOM 1407 C ARG A 840 -22.577 17.650 53.805 1.00 31.26 C ATOM 1408 O ARG A 840 -23.512 18.338 53.408 1.00 31.32 O ATOM 1409 CB ARG A 840 -21.442 18.117 55.985 1.00 35.02 C ATOM 1410 CG ARG A 840 -21.423 17.881 57.483 1.00 40.62 C ATOM 1411 CD ARG A 840 -20.431 18.784 58.187 1.00 44.98 C ATOM 1412 NE ARG A 840 -20.363 18.486 59.614 1.00 49.37 N ATOM 1413 CZ ARG A 840 -19.552 19.103 60.466 1.00 51.08 C ATOM 1414 NH1 ARG A 840 -18.736 20.060 60.037 1.00 52.39 N ATOM 1415 NH2 ARG A 840 -19.551 18.757 61.746 1.00 52.20 N ATOM 0 H ARG A 840 -21.413 15.694 55.822 1.00 30.69 H new ATOM 0 HA ARG A 840 -23.353 17.404 55.663 1.00 32.10 H new ATOM 0 HB2 ARG A 840 -20.563 17.930 55.621 1.00 35.02 H new ATOM 0 HB3 ARG A 840 -21.627 19.053 55.811 1.00 35.02 H new ATOM 0 HG2 ARG A 840 -22.310 18.032 57.845 1.00 40.62 H new ATOM 0 HG3 ARG A 840 -21.198 16.954 57.661 1.00 40.62 H new ATOM 0 HD2 ARG A 840 -19.553 18.675 57.790 1.00 44.98 H new ATOM 0 HD3 ARG A 840 -20.687 19.711 58.060 1.00 44.98 H new ATOM 0 HE ARG A 840 -20.881 17.872 59.923 1.00 49.37 H new ATOM 0 HH11 ARG A 840 -18.732 20.281 59.206 1.00 52.39 H new ATOM 0 HH12 ARG A 840 -18.212 20.458 60.590 1.00 52.39 H new ATOM 0 HH21 ARG A 840 -20.075 18.134 62.023 1.00 52.20 H new ATOM 0 HH22 ARG A 840 -19.026 19.156 62.299 1.00 52.20 H new ATOM 1416 N ILE A 841 -21.614 17.203 53.006 1.00 30.09 N ATOM 1417 CA ILE A 841 -21.604 17.516 51.582 1.00 30.12 C ATOM 1418 C ILE A 841 -22.837 16.945 50.905 1.00 31.21 C ATOM 1419 O ILE A 841 -23.394 17.544 49.984 1.00 32.27 O ATOM 1420 CB ILE A 841 -20.346 16.951 50.904 1.00 29.88 C ATOM 1421 CG1 ILE A 841 -19.123 17.699 51.437 1.00 30.68 C ATOM 1422 CG2 ILE A 841 -20.451 17.075 49.381 1.00 29.46 C ATOM 1423 CD1 ILE A 841 -17.807 17.155 50.949 1.00 32.57 C ATOM 0 H ILE A 841 -20.956 16.716 53.270 1.00 30.09 H new ATOM 0 HA ILE A 841 -21.604 18.482 51.492 1.00 30.12 H new ATOM 0 HB ILE A 841 -20.258 16.007 51.110 1.00 29.88 H new ATOM 0 HG12 ILE A 841 -19.190 18.632 51.182 1.00 30.68 H new ATOM 0 HG13 ILE A 841 -19.135 17.669 52.406 1.00 30.68 H new ATOM 0 HG21 ILE A 841 -19.650 16.714 48.971 1.00 29.46 H new ATOM 0 HG22 ILE A 841 -21.225 16.580 49.068 1.00 29.46 H new ATOM 0 HG23 ILE A 841 -20.545 18.009 49.138 1.00 29.46 H new ATOM 0 HD11 ILE A 841 -17.081 17.676 51.326 1.00 32.57 H new ATOM 0 HD12 ILE A 841 -17.717 16.229 51.225 1.00 32.57 H new ATOM 0 HD13 ILE A 841 -17.774 17.208 49.981 1.00 32.57 H new ATOM 1424 N ILE A 842 -23.261 15.778 51.369 1.00 30.83 N ATOM 1425 CA ILE A 842 -24.437 15.122 50.814 1.00 31.17 C ATOM 1426 C ILE A 842 -25.713 15.858 51.205 1.00 33.30 C ATOM 1427 O ILE A 842 -26.634 15.988 50.398 1.00 34.50 O ATOM 1428 CB ILE A 842 -24.535 13.660 51.303 1.00 28.53 C ATOM 1429 CG1 ILE A 842 -23.428 12.823 50.654 1.00 26.07 C ATOM 1430 CG2 ILE A 842 -25.911 13.086 50.981 1.00 26.24 C ATOM 1431 CD1 ILE A 842 -23.393 11.369 51.124 1.00 25.32 C ATOM 0 H ILE A 842 -22.880 15.347 52.008 1.00 30.83 H new ATOM 0 HA ILE A 842 -24.343 15.135 49.849 1.00 31.17 H new ATOM 0 HB ILE A 842 -24.418 13.636 52.266 1.00 28.53 H new ATOM 0 HG12 ILE A 842 -23.545 12.839 49.691 1.00 26.07 H new ATOM 0 HG13 ILE A 842 -22.570 13.235 50.843 1.00 26.07 H new ATOM 0 HG21 ILE A 842 -25.960 12.169 51.293 1.00 26.24 H new ATOM 0 HG22 ILE A 842 -26.594 13.614 51.423 1.00 26.24 H new ATOM 0 HG23 ILE A 842 -26.055 13.109 50.022 1.00 26.24 H new ATOM 0 HD11 ILE A 842 -22.672 10.901 50.675 1.00 25.32 H new ATOM 0 HD12 ILE A 842 -23.248 11.342 52.083 1.00 25.32 H new ATOM 0 HD13 ILE A 842 -24.237 10.940 50.913 1.00 25.32 H new ATOM 1432 N ALA A 843 -25.757 16.330 52.448 1.00 36.02 N ATOM 1433 CA ALA A 843 -26.917 17.040 52.973 1.00 39.60 C ATOM 1434 C ALA A 843 -27.125 18.391 52.301 1.00 43.04 C ATOM 1435 O ALA A 843 -28.236 18.925 52.299 1.00 42.89 O ATOM 1436 CB ALA A 843 -26.770 17.225 54.471 1.00 40.39 C ATOM 0 H ALA A 843 -25.113 16.247 53.011 1.00 36.02 H new ATOM 0 HA ALA A 843 -27.699 16.500 52.780 1.00 39.60 H new ATOM 0 HB1 ALA A 843 -27.543 17.698 54.816 1.00 40.39 H new ATOM 0 HB2 ALA A 843 -26.704 16.357 54.899 1.00 40.39 H new ATOM 0 HB3 ALA A 843 -25.968 17.739 54.657 1.00 40.39 H new ATOM 1437 N CYS A 844 -26.058 18.946 51.737 1.00 44.63 N ATOM 1438 CA CYS A 844 -26.151 20.237 51.065 1.00 48.64 C ATOM 1439 C CYS A 844 -27.112 20.120 49.883 1.00 49.79 C ATOM 1440 O CYS A 844 -26.908 19.299 48.986 1.00 51.21 O ATOM 1441 CB CYS A 844 -24.769 20.681 50.580 1.00 48.32 C ATOM 1442 SG CYS A 844 -24.723 22.370 49.941 1.00 51.20 S ATOM 0 H CYS A 844 -25.274 18.593 51.732 1.00 44.63 H new ATOM 0 HA CYS A 844 -26.485 20.901 51.688 1.00 48.64 H new ATOM 0 HB2 CYS A 844 -24.139 20.605 51.314 1.00 48.32 H new ATOM 0 HB3 CYS A 844 -24.470 20.074 49.885 1.00 48.32 H new ATOM 0 HG CYS A 844 -23.607 22.634 49.587 1.00 51.20 H new ATOM 1443 N LYS A 845 -28.159 20.943 49.896 1.00 51.69 N ATOM 1444 CA LYS A 845 -29.178 20.950 48.845 1.00 52.01 C ATOM 1445 C LYS A 845 -30.138 19.767 48.933 1.00 52.37 C ATOM 1446 O LYS A 845 -31.007 19.599 48.076 1.00 52.44 O ATOM 1447 CB LYS A 845 -28.528 20.993 47.456 1.00 52.97 C ATOM 1448 CG LYS A 845 -28.285 22.402 46.930 1.00 53.73 C ATOM 1449 CD LYS A 845 -27.503 23.244 47.926 1.00 54.82 C ATOM 1450 CE LYS A 845 -27.390 24.685 47.461 1.00 55.29 C ATOM 1451 NZ LYS A 845 -26.642 25.525 48.437 1.00 55.61 N ATOM 0 H LYS A 845 -28.300 21.518 50.520 1.00 51.69 H new ATOM 0 HA LYS A 845 -29.703 21.754 48.984 1.00 52.01 H new ATOM 0 HB2 LYS A 845 -27.682 20.520 47.490 1.00 52.97 H new ATOM 0 HB3 LYS A 845 -29.094 20.517 46.829 1.00 52.97 H new ATOM 0 HG2 LYS A 845 -27.799 22.356 46.092 1.00 53.73 H new ATOM 0 HG3 LYS A 845 -29.135 22.829 46.741 1.00 53.73 H new ATOM 0 HD2 LYS A 845 -27.940 23.214 48.791 1.00 54.82 H new ATOM 0 HD3 LYS A 845 -26.616 22.869 48.043 1.00 54.82 H new ATOM 0 HE2 LYS A 845 -26.943 24.713 46.601 1.00 55.29 H new ATOM 0 HE3 LYS A 845 -28.278 25.053 47.331 1.00 55.29 H new ATOM 0 HZ1 LYS A 845 -26.594 26.361 48.135 1.00 55.61 H new ATOM 0 HZ2 LYS A 845 -27.064 25.517 49.221 1.00 55.61 H new ATOM 0 HZ3 LYS A 845 -25.820 25.200 48.540 1.00 55.61 H new ATOM 1452 N ARG A 846 -29.974 18.946 49.965 1.00 51.80 N ATOM 1453 CA ARG A 846 -30.853 17.802 50.173 1.00 51.93 C ATOM 1454 C ARG A 846 -31.601 17.983 51.484 1.00 53.90 C ATOM 1455 O ARG A 846 -31.015 17.903 52.563 1.00 54.61 O ATOM 1456 CB ARG A 846 -30.061 16.492 50.211 1.00 49.98 C ATOM 1457 CG ARG A 846 -29.541 16.033 48.860 1.00 45.63 C ATOM 1458 CD ARG A 846 -29.169 14.556 48.892 1.00 42.77 C ATOM 1459 NE ARG A 846 -28.738 14.080 47.582 1.00 40.94 N ATOM 1460 CZ ARG A 846 -27.566 14.372 47.027 1.00 40.75 C ATOM 1461 NH1 ARG A 846 -26.698 15.137 47.676 1.00 39.84 N ATOM 1462 NH2 ARG A 846 -27.270 13.913 45.818 1.00 39.11 N ATOM 0 H ARG A 846 -29.357 19.035 50.558 1.00 51.80 H new ATOM 0 HA ARG A 846 -31.478 17.754 49.433 1.00 51.93 H new ATOM 0 HB2 ARG A 846 -29.310 16.599 50.815 1.00 49.98 H new ATOM 0 HB3 ARG A 846 -30.626 15.796 50.581 1.00 49.98 H new ATOM 0 HG2 ARG A 846 -30.217 16.185 48.181 1.00 45.63 H new ATOM 0 HG3 ARG A 846 -28.765 16.560 48.612 1.00 45.63 H new ATOM 0 HD2 ARG A 846 -28.459 14.415 49.538 1.00 42.77 H new ATOM 0 HD3 ARG A 846 -29.932 14.036 49.191 1.00 42.77 H new ATOM 0 HE ARG A 846 -29.278 13.577 47.140 1.00 40.94 H new ATOM 0 HH11 ARG A 846 -26.894 15.444 48.455 1.00 39.84 H new ATOM 0 HH12 ARG A 846 -25.940 15.326 47.317 1.00 39.84 H new ATOM 0 HH21 ARG A 846 -27.837 13.426 45.392 1.00 39.11 H new ATOM 0 HH22 ARG A 846 -26.511 14.103 45.460 1.00 39.11 H new ATOM 1463 N LYS A 847 -32.901 18.232 51.383 1.00 55.43 N ATOM 1464 CA LYS A 847 -33.728 18.435 52.564 1.00 56.94 C ATOM 1465 C LYS A 847 -34.365 17.117 52.989 1.00 57.07 C ATOM 1466 O LYS A 847 -34.746 16.939 54.146 1.00 57.45 O ATOM 1467 CB LYS A 847 -34.816 19.469 52.263 1.00 58.68 C ATOM 1468 CG LYS A 847 -34.337 20.644 51.412 1.00 60.20 C ATOM 1469 CD LYS A 847 -33.122 21.336 52.016 1.00 61.69 C ATOM 1470 CE LYS A 847 -32.594 22.419 51.085 1.00 62.63 C ATOM 1471 NZ LYS A 847 -31.374 23.085 51.623 1.00 64.08 N ATOM 0 H LYS A 847 -33.325 18.288 50.637 1.00 55.43 H new ATOM 0 HA LYS A 847 -33.171 18.761 53.288 1.00 56.94 H new ATOM 0 HB2 LYS A 847 -35.550 19.029 51.807 1.00 58.68 H new ATOM 0 HB3 LYS A 847 -35.166 19.810 53.101 1.00 58.68 H new ATOM 0 HG2 LYS A 847 -34.117 20.328 50.522 1.00 60.20 H new ATOM 0 HG3 LYS A 847 -35.058 21.286 51.315 1.00 60.20 H new ATOM 0 HD2 LYS A 847 -33.360 21.727 52.871 1.00 61.69 H new ATOM 0 HD3 LYS A 847 -32.425 20.683 52.187 1.00 61.69 H new ATOM 0 HE2 LYS A 847 -32.392 22.028 50.220 1.00 62.63 H new ATOM 0 HE3 LYS A 847 -33.286 23.084 50.941 1.00 62.63 H new ATOM 0 HZ1 LYS A 847 -31.099 23.709 51.051 1.00 64.08 H new ATOM 0 HZ2 LYS A 847 -31.563 23.464 52.406 1.00 64.08 H new ATOM 0 HZ3 LYS A 847 -30.730 22.481 51.734 1.00 64.08 H new ATOM 1472 N ASN A 848 -34.470 16.192 52.041 1.00 56.80 N ATOM 1473 CA ASN A 848 -35.060 14.886 52.303 1.00 56.37 C ATOM 1474 C ASN A 848 -34.006 13.943 52.887 1.00 54.86 C ATOM 1475 O ASN A 848 -32.958 13.718 52.283 1.00 54.62 O ATOM 1476 CB ASN A 848 -35.621 14.304 51.002 1.00 58.11 C ATOM 1477 CG ASN A 848 -36.457 13.062 51.229 1.00 59.41 C ATOM 1478 OD1 ASN A 848 -35.992 12.086 51.816 1.00 60.51 O ATOM 1479 ND2 ASN A 848 -37.700 13.091 50.761 1.00 60.21 N ATOM 0 H ASN A 848 -34.202 16.304 51.231 1.00 56.80 H new ATOM 0 HA ASN A 848 -35.781 14.985 52.945 1.00 56.37 H new ATOM 0 HB2 ASN A 848 -36.161 14.976 50.558 1.00 58.11 H new ATOM 0 HB3 ASN A 848 -34.887 14.090 50.405 1.00 58.11 H new ATOM 0 HD21 ASN A 848 -38.214 12.409 50.864 1.00 60.21 H new ATOM 0 HD22 ASN A 848 -37.991 13.792 50.356 1.00 60.21 H new ATOM 1480 N PRO A 849 -34.273 13.382 54.077 1.00 53.39 N ATOM 1481 CA PRO A 849 -33.328 12.464 54.722 1.00 51.69 C ATOM 1482 C PRO A 849 -33.134 11.179 53.920 1.00 50.14 C ATOM 1483 O PRO A 849 -32.069 10.558 53.969 1.00 48.98 O ATOM 1484 CB PRO A 849 -33.973 12.212 56.081 1.00 52.43 C ATOM 1485 CG PRO A 849 -35.437 12.289 55.765 1.00 53.19 C ATOM 1486 CD PRO A 849 -35.505 13.511 54.875 1.00 53.01 C ATOM 0 HA PRO A 849 -32.431 12.827 54.792 1.00 51.69 H new ATOM 0 HB2 PRO A 849 -33.727 11.346 56.443 1.00 52.43 H new ATOM 0 HB3 PRO A 849 -33.709 12.878 56.735 1.00 52.43 H new ATOM 0 HG2 PRO A 849 -35.753 11.492 55.311 1.00 53.19 H new ATOM 0 HG3 PRO A 849 -35.976 12.392 56.565 1.00 53.19 H new ATOM 0 HD2 PRO A 849 -36.299 13.510 54.318 1.00 53.01 H new ATOM 0 HD3 PRO A 849 -35.520 14.334 55.389 1.00 53.01 H new ATOM 1487 N THR A 850 -34.172 10.790 53.184 1.00 47.69 N ATOM 1488 CA THR A 850 -34.134 9.586 52.363 1.00 44.97 C ATOM 1489 C THR A 850 -33.242 9.788 51.145 1.00 43.36 C ATOM 1490 O THR A 850 -32.575 8.855 50.696 1.00 42.01 O ATOM 1491 CB THR A 850 -35.548 9.188 51.884 1.00 45.00 C ATOM 1492 OG1 THR A 850 -36.343 8.804 53.011 1.00 44.84 O ATOM 1493 CG2 THR A 850 -35.478 8.028 50.900 1.00 45.06 C ATOM 0 H THR A 850 -34.917 11.217 53.147 1.00 47.69 H new ATOM 0 HA THR A 850 -33.774 8.876 52.917 1.00 44.97 H new ATOM 0 HB THR A 850 -35.949 9.951 51.439 1.00 45.00 H new ATOM 0 HG1 THR A 850 -37.112 8.589 52.751 1.00 44.84 H new ATOM 0 HG21 THR A 850 -36.374 7.794 50.612 1.00 45.06 H new ATOM 0 HG22 THR A 850 -34.949 8.288 50.130 1.00 45.06 H new ATOM 0 HG23 THR A 850 -35.067 7.262 51.331 1.00 45.06 H new ATOM 1494 N SER A 851 -33.236 11.003 50.604 1.00 41.72 N ATOM 1495 CA SER A 851 -32.404 11.292 49.444 1.00 40.90 C ATOM 1496 C SER A 851 -30.940 11.290 49.869 1.00 38.92 C ATOM 1497 O SER A 851 -30.062 10.935 49.087 1.00 38.79 O ATOM 1498 CB SER A 851 -32.773 12.647 48.831 1.00 41.31 C ATOM 1499 OG SER A 851 -32.570 13.704 49.752 1.00 44.41 O ATOM 0 H SER A 851 -33.702 11.667 50.891 1.00 41.72 H new ATOM 0 HA SER A 851 -32.552 10.609 48.771 1.00 40.90 H new ATOM 0 HB2 SER A 851 -32.238 12.801 48.037 1.00 41.31 H new ATOM 0 HB3 SER A 851 -33.701 12.635 48.550 1.00 41.31 H new ATOM 0 HG SER A 851 -32.696 13.423 50.534 1.00 44.41 H new ATOM 1500 N CYS A 852 -30.686 11.680 51.116 1.00 37.51 N ATOM 1501 CA CYS A 852 -29.326 11.703 51.640 1.00 36.81 C ATOM 1502 C CYS A 852 -28.838 10.272 51.845 1.00 36.45 C ATOM 1503 O CYS A 852 -27.715 9.931 51.478 1.00 32.28 O ATOM 1504 CB CYS A 852 -29.273 12.458 52.969 1.00 36.71 C ATOM 1505 SG CYS A 852 -29.500 14.248 52.826 1.00 37.57 S ATOM 0 H CYS A 852 -31.289 11.935 51.674 1.00 37.51 H new ATOM 0 HA CYS A 852 -28.754 12.158 51.003 1.00 36.81 H new ATOM 0 HB2 CYS A 852 -29.958 12.103 53.557 1.00 36.71 H new ATOM 0 HB3 CYS A 852 -28.418 12.285 53.392 1.00 36.71 H new ATOM 0 HG CYS A 852 -29.445 14.747 53.916 1.00 37.57 H new ATOM 1506 N SER A 853 -29.695 9.441 52.432 1.00 35.11 N ATOM 1507 CA SER A 853 -29.360 8.043 52.678 1.00 36.32 C ATOM 1508 C SER A 853 -29.071 7.344 51.361 1.00 35.12 C ATOM 1509 O SER A 853 -28.085 6.619 51.230 1.00 35.20 O ATOM 1510 CB SER A 853 -30.520 7.336 53.387 1.00 36.76 C ATOM 1511 OG SER A 853 -30.771 7.920 54.653 1.00 42.55 O ATOM 0 H SER A 853 -30.481 9.670 52.697 1.00 35.11 H new ATOM 0 HA SER A 853 -28.573 8.007 53.244 1.00 36.32 H new ATOM 0 HB2 SER A 853 -31.319 7.388 52.839 1.00 36.76 H new ATOM 0 HB3 SER A 853 -30.312 6.395 53.496 1.00 36.76 H new ATOM 0 HG SER A 853 -31.136 8.669 54.549 1.00 42.55 H new ATOM 1512 N ARG A 854 -29.941 7.560 50.383 1.00 34.00 N ATOM 1513 CA ARG A 854 -29.763 6.944 49.079 1.00 34.74 C ATOM 1514 C ARG A 854 -28.442 7.387 48.447 1.00 32.56 C ATOM 1515 O ARG A 854 -27.740 6.582 47.832 1.00 31.39 O ATOM 1516 CB ARG A 854 -30.938 7.301 48.167 1.00 38.20 C ATOM 1517 CG ARG A 854 -30.915 6.611 46.814 1.00 43.47 C ATOM 1518 CD ARG A 854 -30.583 5.120 46.936 1.00 48.77 C ATOM 1519 NE ARG A 854 -31.064 4.526 48.185 1.00 52.78 N ATOM 1520 CZ ARG A 854 -30.858 3.259 48.538 1.00 53.11 C ATOM 1521 NH1 ARG A 854 -30.186 2.445 47.734 1.00 53.05 N ATOM 1522 NH2 ARG A 854 -31.304 2.809 49.704 1.00 54.47 N ATOM 0 H ARG A 854 -30.638 8.058 50.455 1.00 34.00 H new ATOM 0 HA ARG A 854 -29.735 5.981 49.193 1.00 34.74 H new ATOM 0 HB2 ARG A 854 -31.765 7.074 48.620 1.00 38.20 H new ATOM 0 HB3 ARG A 854 -30.945 8.261 48.028 1.00 38.20 H new ATOM 0 HG2 ARG A 854 -31.778 6.715 46.384 1.00 43.47 H new ATOM 0 HG3 ARG A 854 -30.260 7.042 46.243 1.00 43.47 H new ATOM 0 HD2 ARG A 854 -30.974 4.645 46.186 1.00 48.77 H new ATOM 0 HD3 ARG A 854 -29.622 5.002 46.877 1.00 48.77 H new ATOM 0 HE ARG A 854 -31.508 5.027 48.725 1.00 52.78 H new ATOM 0 HH11 ARG A 854 -29.883 2.736 46.984 1.00 53.05 H new ATOM 0 HH12 ARG A 854 -30.054 1.627 47.963 1.00 53.05 H new ATOM 0 HH21 ARG A 854 -31.728 3.336 50.235 1.00 54.47 H new ATOM 0 HH22 ARG A 854 -31.169 1.990 49.929 1.00 54.47 H new ATOM 1523 N ARG A 855 -28.098 8.662 48.604 1.00 30.15 N ATOM 1524 CA ARG A 855 -26.846 9.164 48.042 1.00 27.90 C ATOM 1525 C ARG A 855 -25.648 8.532 48.750 1.00 26.35 C ATOM 1526 O ARG A 855 -24.667 8.152 48.108 1.00 26.79 O ATOM 1527 CB ARG A 855 -26.757 10.684 48.177 1.00 28.12 C ATOM 1528 CG ARG A 855 -25.540 11.291 47.466 1.00 26.93 C ATOM 1529 CD ARG A 855 -25.557 10.911 46.000 1.00 27.30 C ATOM 1530 NE ARG A 855 -24.537 11.597 45.214 1.00 23.43 N ATOM 1531 CZ ARG A 855 -24.419 11.471 43.897 1.00 23.40 C ATOM 1532 NH1 ARG A 855 -25.257 10.684 43.236 1.00 23.15 N ATOM 1533 NH2 ARG A 855 -23.475 12.134 43.236 1.00 22.99 N ATOM 0 H ARG A 855 -28.567 9.246 49.026 1.00 30.15 H new ATOM 0 HA ARG A 855 -26.831 8.926 47.102 1.00 27.90 H new ATOM 0 HB2 ARG A 855 -27.565 11.082 47.816 1.00 28.12 H new ATOM 0 HB3 ARG A 855 -26.722 10.917 49.118 1.00 28.12 H new ATOM 0 HG2 ARG A 855 -25.550 12.257 47.558 1.00 26.93 H new ATOM 0 HG3 ARG A 855 -24.722 10.975 47.881 1.00 26.93 H new ATOM 0 HD2 ARG A 855 -25.429 9.953 45.919 1.00 27.30 H new ATOM 0 HD3 ARG A 855 -26.431 11.112 45.630 1.00 27.30 H new ATOM 0 HE ARG A 855 -23.983 12.110 45.625 1.00 23.43 H new ATOM 0 HH11 ARG A 855 -25.873 10.259 43.660 1.00 23.15 H new ATOM 0 HH12 ARG A 855 -25.185 10.599 42.383 1.00 23.15 H new ATOM 0 HH21 ARG A 855 -22.934 12.650 43.661 1.00 22.99 H new ATOM 0 HH22 ARG A 855 -23.405 12.047 42.383 1.00 22.99 H new ATOM 1534 N PHE A 856 -25.727 8.430 50.071 1.00 25.39 N ATOM 1535 CA PHE A 856 -24.644 7.836 50.850 1.00 24.57 C ATOM 1536 C PHE A 856 -24.456 6.382 50.426 1.00 24.78 C ATOM 1537 O PHE A 856 -23.331 5.872 50.370 1.00 25.81 O ATOM 1538 CB PHE A 856 -24.958 7.906 52.348 1.00 24.45 C ATOM 1539 CG PHE A 856 -23.831 7.431 53.225 1.00 26.21 C ATOM 1540 CD1 PHE A 856 -22.721 8.240 53.452 1.00 27.86 C ATOM 1541 CD2 PHE A 856 -23.869 6.169 53.806 1.00 24.79 C ATOM 1542 CE1 PHE A 856 -21.660 7.795 54.250 1.00 27.57 C ATOM 1543 CE2 PHE A 856 -22.818 5.713 54.604 1.00 25.70 C ATOM 1544 CZ PHE A 856 -21.710 6.532 54.826 1.00 27.23 C ATOM 0 H PHE A 856 -26.398 8.698 50.537 1.00 25.39 H new ATOM 0 HA PHE A 856 -23.827 8.332 50.685 1.00 24.57 H new ATOM 0 HB2 PHE A 856 -25.176 8.822 52.582 1.00 24.45 H new ATOM 0 HB3 PHE A 856 -25.747 7.371 52.530 1.00 24.45 H new ATOM 0 HD1 PHE A 856 -22.684 9.087 53.069 1.00 27.86 H new ATOM 0 HD2 PHE A 856 -24.606 5.620 53.661 1.00 24.79 H new ATOM 0 HE1 PHE A 856 -20.923 8.344 54.394 1.00 27.57 H new ATOM 0 HE2 PHE A 856 -22.856 4.866 54.986 1.00 25.70 H new ATOM 0 HZ PHE A 856 -21.008 6.233 55.358 1.00 27.23 H new ATOM 1545 N TYR A 857 -25.567 5.716 50.125 1.00 23.81 N ATOM 1546 CA TYR A 857 -25.527 4.327 49.688 1.00 24.61 C ATOM 1547 C TYR A 857 -24.743 4.245 48.381 1.00 24.24 C ATOM 1548 O TYR A 857 -23.868 3.396 48.217 1.00 24.74 O ATOM 1549 CB TYR A 857 -26.949 3.799 49.466 1.00 26.63 C ATOM 1550 CG TYR A 857 -27.002 2.361 48.997 1.00 28.13 C ATOM 1551 CD1 TYR A 857 -26.870 1.308 49.901 1.00 30.63 C ATOM 1552 CD2 TYR A 857 -27.149 2.055 47.646 1.00 30.62 C ATOM 1553 CE1 TYR A 857 -26.880 -0.017 49.471 1.00 33.54 C ATOM 1554 CE2 TYR A 857 -27.159 0.733 47.203 1.00 33.97 C ATOM 1555 CZ TYR A 857 -27.023 -0.295 48.122 1.00 33.75 C ATOM 1556 OH TYR A 857 -27.014 -1.602 47.694 1.00 37.28 O ATOM 0 H TYR A 857 -26.357 6.053 50.168 1.00 23.81 H new ATOM 0 HA TYR A 857 -25.098 3.787 50.370 1.00 24.61 H new ATOM 0 HB2 TYR A 857 -27.447 3.878 50.294 1.00 26.63 H new ATOM 0 HB3 TYR A 857 -27.395 4.360 48.812 1.00 26.63 H new ATOM 0 HD1 TYR A 857 -26.774 1.493 50.807 1.00 30.63 H new ATOM 0 HD2 TYR A 857 -27.242 2.744 47.029 1.00 30.62 H new ATOM 0 HE1 TYR A 857 -26.791 -0.710 50.085 1.00 33.54 H new ATOM 0 HE2 TYR A 857 -27.256 0.543 46.298 1.00 33.97 H new ATOM 0 HH TYR A 857 -27.110 -1.625 46.860 1.00 37.28 H new ATOM 1557 N GLN A 858 -25.053 5.145 47.456 1.00 23.72 N ATOM 1558 CA GLN A 858 -24.392 5.161 46.159 1.00 23.68 C ATOM 1559 C GLN A 858 -22.905 5.442 46.257 1.00 21.94 C ATOM 1560 O GLN A 858 -22.099 4.768 45.622 1.00 21.41 O ATOM 1561 CB GLN A 858 -25.023 6.215 45.252 1.00 25.47 C ATOM 1562 CG GLN A 858 -26.492 5.975 44.940 1.00 28.15 C ATOM 1563 CD GLN A 858 -27.067 7.064 44.062 1.00 30.89 C ATOM 1564 OE1 GLN A 858 -27.080 8.240 44.437 1.00 31.49 O ATOM 1565 NE2 GLN A 858 -27.536 6.683 42.877 1.00 33.60 N ATOM 0 H GLN A 858 -25.647 5.758 47.561 1.00 23.72 H new ATOM 0 HA GLN A 858 -24.508 4.273 45.787 1.00 23.68 H new ATOM 0 HB2 GLN A 858 -24.930 7.085 45.672 1.00 25.47 H new ATOM 0 HB3 GLN A 858 -24.528 6.248 44.419 1.00 25.47 H new ATOM 0 HG2 GLN A 858 -26.593 5.117 44.498 1.00 28.15 H new ATOM 0 HG3 GLN A 858 -26.995 5.928 45.768 1.00 28.15 H new ATOM 0 HE21 GLN A 858 -27.510 5.854 42.651 1.00 33.60 H new ATOM 0 HE22 GLN A 858 -27.865 7.266 42.337 1.00 33.60 H new ATOM 1566 N LEU A 859 -22.543 6.440 47.050 1.00 22.22 N ATOM 1567 CA LEU A 859 -21.138 6.813 47.177 1.00 22.56 C ATOM 1568 C LEU A 859 -20.285 5.778 47.897 1.00 22.20 C ATOM 1569 O LEU A 859 -19.115 5.591 47.552 1.00 23.64 O ATOM 1570 CB LEU A 859 -21.009 8.181 47.861 1.00 21.79 C ATOM 1571 CG LEU A 859 -21.774 9.348 47.214 1.00 22.73 C ATOM 1572 CD1 LEU A 859 -21.341 10.669 47.841 1.00 21.53 C ATOM 1573 CD2 LEU A 859 -21.516 9.372 45.720 1.00 24.51 C ATOM 0 H LEU A 859 -23.087 6.911 47.520 1.00 22.22 H new ATOM 0 HA LEU A 859 -20.792 6.861 46.272 1.00 22.56 H new ATOM 0 HB2 LEU A 859 -21.312 8.091 48.778 1.00 21.79 H new ATOM 0 HB3 LEU A 859 -20.069 8.416 47.894 1.00 21.79 H new ATOM 0 HG LEU A 859 -22.724 9.225 47.367 1.00 22.73 H new ATOM 0 HD11 LEU A 859 -21.828 11.399 47.427 1.00 21.53 H new ATOM 0 HD12 LEU A 859 -21.530 10.653 48.792 1.00 21.53 H new ATOM 0 HD13 LEU A 859 -20.389 10.797 47.703 1.00 21.53 H new ATOM 0 HD21 LEU A 859 -22.001 10.110 45.319 1.00 24.51 H new ATOM 0 HD22 LEU A 859 -20.566 9.484 45.557 1.00 24.51 H new ATOM 0 HD23 LEU A 859 -21.815 8.537 45.326 1.00 24.51 H new ATOM 1574 N THR A 860 -20.851 5.108 48.896 1.00 22.06 N ATOM 1575 CA THR A 860 -20.088 4.092 49.618 1.00 22.23 C ATOM 1576 C THR A 860 -19.934 2.852 48.746 1.00 23.14 C ATOM 1577 O THR A 860 -18.938 2.129 48.841 1.00 22.47 O ATOM 1578 CB THR A 860 -20.751 3.722 50.973 1.00 22.42 C ATOM 1579 OG1 THR A 860 -22.133 3.404 50.769 1.00 23.74 O ATOM 1580 CG2 THR A 860 -20.626 4.874 51.947 1.00 22.97 C ATOM 0 H THR A 860 -21.659 5.222 49.168 1.00 22.06 H new ATOM 0 HA THR A 860 -19.213 4.460 49.818 1.00 22.23 H new ATOM 0 HB THR A 860 -20.298 2.948 51.343 1.00 22.42 H new ATOM 0 HG1 THR A 860 -22.227 2.570 50.740 1.00 23.74 H new ATOM 0 HG21 THR A 860 -21.043 4.633 52.789 1.00 22.97 H new ATOM 0 HG22 THR A 860 -19.688 5.072 52.096 1.00 22.97 H new ATOM 0 HG23 THR A 860 -21.067 5.657 51.581 1.00 22.97 H new ATOM 1581 N LYS A 861 -20.919 2.604 47.889 1.00 22.82 N ATOM 1582 CA LYS A 861 -20.833 1.475 46.975 1.00 23.09 C ATOM 1583 C LYS A 861 -19.686 1.768 46.000 1.00 23.42 C ATOM 1584 O LYS A 861 -18.867 0.893 45.703 1.00 22.62 O ATOM 1585 CB LYS A 861 -22.142 1.306 46.192 1.00 24.20 C ATOM 1586 CG LYS A 861 -23.216 0.497 46.923 1.00 25.04 C ATOM 1587 CD LYS A 861 -22.807 -0.966 47.021 1.00 28.96 C ATOM 1588 CE LYS A 861 -23.896 -1.816 47.664 1.00 31.18 C ATOM 1589 NZ LYS A 861 -23.544 -3.263 47.632 1.00 33.69 N ATOM 0 H LYS A 861 -21.637 3.072 47.822 1.00 22.82 H new ATOM 0 HA LYS A 861 -20.676 0.656 47.470 1.00 23.09 H new ATOM 0 HB2 LYS A 861 -22.498 2.184 45.986 1.00 24.20 H new ATOM 0 HB3 LYS A 861 -21.947 0.873 45.346 1.00 24.20 H new ATOM 0 HG2 LYS A 861 -23.353 0.860 47.812 1.00 25.04 H new ATOM 0 HG3 LYS A 861 -24.061 0.571 46.452 1.00 25.04 H new ATOM 0 HD2 LYS A 861 -22.612 -1.307 46.134 1.00 28.96 H new ATOM 0 HD3 LYS A 861 -21.991 -1.040 47.540 1.00 28.96 H new ATOM 0 HE2 LYS A 861 -24.029 -1.534 48.582 1.00 31.18 H new ATOM 0 HE3 LYS A 861 -24.736 -1.675 47.199 1.00 31.18 H new ATOM 0 HZ1 LYS A 861 -24.195 -3.736 48.013 1.00 33.69 H new ATOM 0 HZ2 LYS A 861 -23.442 -3.525 46.788 1.00 33.69 H new ATOM 0 HZ3 LYS A 861 -22.784 -3.394 48.076 1.00 33.69 H new ATOM 1590 N LEU A 862 -19.629 3.005 45.511 1.00 22.90 N ATOM 1591 CA LEU A 862 -18.582 3.396 44.569 1.00 23.94 C ATOM 1592 C LEU A 862 -17.207 3.263 45.221 1.00 23.74 C ATOM 1593 O LEU A 862 -16.276 2.736 44.613 1.00 24.10 O ATOM 1594 CB LEU A 862 -18.795 4.837 44.096 1.00 24.68 C ATOM 1595 CG LEU A 862 -17.826 5.341 43.019 1.00 27.26 C ATOM 1596 CD1 LEU A 862 -18.043 4.561 41.735 1.00 28.41 C ATOM 1597 CD2 LEU A 862 -18.038 6.825 42.777 1.00 24.84 C ATOM 0 H LEU A 862 -20.184 3.631 45.711 1.00 22.90 H new ATOM 0 HA LEU A 862 -18.627 2.805 43.801 1.00 23.94 H new ATOM 0 HB2 LEU A 862 -19.700 4.916 43.755 1.00 24.68 H new ATOM 0 HB3 LEU A 862 -18.730 5.424 44.865 1.00 24.68 H new ATOM 0 HG LEU A 862 -16.914 5.206 43.321 1.00 27.26 H new ATOM 0 HD11 LEU A 862 -17.430 4.880 41.055 1.00 28.41 H new ATOM 0 HD12 LEU A 862 -17.882 3.618 41.898 1.00 28.41 H new ATOM 0 HD13 LEU A 862 -18.956 4.685 41.431 1.00 28.41 H new ATOM 0 HD21 LEU A 862 -17.421 7.133 42.095 1.00 24.84 H new ATOM 0 HD22 LEU A 862 -18.949 6.978 42.481 1.00 24.84 H new ATOM 0 HD23 LEU A 862 -17.880 7.313 43.600 1.00 24.84 H new ATOM 1598 N LEU A 863 -17.085 3.748 46.454 1.00 22.86 N ATOM 1599 CA LEU A 863 -15.825 3.665 47.193 1.00 23.93 C ATOM 1600 C LEU A 863 -15.395 2.214 47.360 1.00 23.73 C ATOM 1601 O LEU A 863 -14.217 1.880 47.200 1.00 24.11 O ATOM 1602 CB LEU A 863 -15.969 4.323 48.570 1.00 21.27 C ATOM 1603 CG LEU A 863 -15.914 5.853 48.587 1.00 22.63 C ATOM 1604 CD1 LEU A 863 -16.332 6.369 49.954 1.00 23.65 C ATOM 1605 CD2 LEU A 863 -14.483 6.312 48.252 1.00 24.55 C ATOM 0 H LEU A 863 -17.724 4.132 46.884 1.00 22.86 H new ATOM 0 HA LEU A 863 -15.146 4.136 46.685 1.00 23.93 H new ATOM 0 HB2 LEU A 863 -16.813 4.042 48.957 1.00 21.27 H new ATOM 0 HB3 LEU A 863 -15.266 3.985 49.146 1.00 21.27 H new ATOM 0 HG LEU A 863 -16.525 6.210 47.924 1.00 22.63 H new ATOM 0 HD11 LEU A 863 -16.295 7.338 49.959 1.00 23.65 H new ATOM 0 HD12 LEU A 863 -17.237 6.079 50.147 1.00 23.65 H new ATOM 0 HD13 LEU A 863 -15.730 6.019 50.630 1.00 23.65 H new ATOM 0 HD21 LEU A 863 -14.443 7.281 48.262 1.00 24.55 H new ATOM 0 HD22 LEU A 863 -13.866 5.957 48.911 1.00 24.55 H new ATOM 0 HD23 LEU A 863 -14.237 5.987 47.372 1.00 24.55 H new ATOM 1606 N ASP A 864 -16.350 1.348 47.688 1.00 22.33 N ATOM 1607 CA ASP A 864 -16.051 -0.070 47.854 1.00 22.30 C ATOM 1608 C ASP A 864 -15.527 -0.672 46.551 1.00 23.73 C ATOM 1609 O ASP A 864 -14.614 -1.502 46.572 1.00 22.77 O ATOM 1610 CB ASP A 864 -17.301 -0.848 48.273 1.00 23.48 C ATOM 1611 CG ASP A 864 -17.574 -0.781 49.764 1.00 23.84 C ATOM 1612 OD1 ASP A 864 -16.838 -0.083 50.497 1.00 22.17 O ATOM 1613 OD2 ASP A 864 -18.538 -1.444 50.208 1.00 26.11 O ATOM 0 H ASP A 864 -17.173 1.560 47.818 1.00 22.33 H new ATOM 0 HA ASP A 864 -15.374 -0.140 48.545 1.00 22.30 H new ATOM 0 HB2 ASP A 864 -18.068 -0.499 47.793 1.00 23.48 H new ATOM 0 HB3 ASP A 864 -17.201 -1.776 48.010 1.00 23.48 H new ATOM 1614 N SER A 865 -16.102 -0.255 45.422 1.00 21.42 N ATOM 1615 CA SER A 865 -15.705 -0.799 44.121 1.00 23.71 C ATOM 1616 C SER A 865 -14.251 -0.511 43.762 1.00 22.01 C ATOM 1617 O SER A 865 -13.673 -1.177 42.902 1.00 22.86 O ATOM 1618 CB SER A 865 -16.623 -0.279 43.003 1.00 21.93 C ATOM 1619 OG SER A 865 -16.419 1.102 42.744 1.00 25.77 O ATOM 0 H SER A 865 -16.722 0.340 45.387 1.00 21.42 H new ATOM 0 HA SER A 865 -15.796 -1.761 44.201 1.00 23.71 H new ATOM 0 HB2 SER A 865 -16.462 -0.786 42.192 1.00 21.93 H new ATOM 0 HB3 SER A 865 -17.549 -0.427 43.251 1.00 21.93 H new ATOM 0 HG SER A 865 -16.191 1.490 43.453 1.00 25.77 H new ATOM 1620 N VAL A 866 -13.659 0.478 44.413 1.00 23.18 N ATOM 1621 CA VAL A 866 -12.265 0.812 44.139 1.00 22.06 C ATOM 1622 C VAL A 866 -11.312 -0.269 44.651 1.00 22.98 C ATOM 1623 O VAL A 866 -10.305 -0.575 44.008 1.00 22.72 O ATOM 1624 CB VAL A 866 -11.867 2.156 44.802 1.00 23.40 C ATOM 1625 CG1 VAL A 866 -10.371 2.434 44.569 1.00 22.07 C ATOM 1626 CG2 VAL A 866 -12.706 3.291 44.233 1.00 20.28 C ATOM 0 H VAL A 866 -14.039 0.965 45.011 1.00 23.18 H new ATOM 0 HA VAL A 866 -12.188 0.882 43.175 1.00 22.06 H new ATOM 0 HB VAL A 866 -12.031 2.096 45.756 1.00 23.40 H new ATOM 0 HG11 VAL A 866 -10.129 3.276 44.986 1.00 22.07 H new ATOM 0 HG12 VAL A 866 -9.844 1.718 44.957 1.00 22.07 H new ATOM 0 HG13 VAL A 866 -10.195 2.484 43.616 1.00 22.07 H new ATOM 0 HG21 VAL A 866 -12.449 4.126 44.654 1.00 20.28 H new ATOM 0 HG22 VAL A 866 -12.560 3.354 43.276 1.00 20.28 H new ATOM 0 HG23 VAL A 866 -13.645 3.118 44.406 1.00 20.28 H new ATOM 1627 N GLN A 867 -11.638 -0.857 45.801 1.00 22.53 N ATOM 1628 CA GLN A 867 -10.772 -1.864 46.422 1.00 24.47 C ATOM 1629 C GLN A 867 -10.461 -3.125 45.609 1.00 23.70 C ATOM 1630 O GLN A 867 -9.314 -3.563 45.565 1.00 23.53 O ATOM 1631 CB GLN A 867 -11.330 -2.252 47.799 1.00 22.58 C ATOM 1632 CG GLN A 867 -11.495 -1.074 48.771 1.00 23.71 C ATOM 1633 CD GLN A 867 -10.196 -0.328 49.048 1.00 22.24 C ATOM 1634 OE1 GLN A 867 -9.105 -0.889 48.934 1.00 24.68 O ATOM 1635 NE2 GLN A 867 -10.312 0.937 49.429 1.00 22.03 N ATOM 0 H GLN A 867 -12.358 -0.688 46.240 1.00 22.53 H new ATOM 0 HA GLN A 867 -9.913 -1.419 46.488 1.00 24.47 H new ATOM 0 HB2 GLN A 867 -12.192 -2.680 47.678 1.00 22.58 H new ATOM 0 HB3 GLN A 867 -10.741 -2.909 48.201 1.00 22.58 H new ATOM 0 HG2 GLN A 867 -12.145 -0.453 48.407 1.00 23.71 H new ATOM 0 HG3 GLN A 867 -11.855 -1.404 49.609 1.00 23.71 H new ATOM 0 HE21 GLN A 867 -11.091 1.296 49.498 1.00 22.03 H new ATOM 0 HE22 GLN A 867 -9.609 1.399 49.607 1.00 22.03 H new ATOM 1636 N PRO A 868 -11.475 -3.742 44.975 1.00 24.07 N ATOM 1637 CA PRO A 868 -11.199 -4.946 44.183 1.00 23.09 C ATOM 1638 C PRO A 868 -10.244 -4.624 43.029 1.00 22.44 C ATOM 1639 O PRO A 868 -9.405 -5.446 42.647 1.00 23.54 O ATOM 1640 CB PRO A 868 -12.584 -5.355 43.683 1.00 24.11 C ATOM 1641 CG PRO A 868 -13.484 -4.904 44.797 1.00 24.69 C ATOM 1642 CD PRO A 868 -12.928 -3.533 45.120 1.00 24.04 C ATOM 0 HA PRO A 868 -10.763 -5.653 44.684 1.00 23.09 H new ATOM 0 HB2 PRO A 868 -12.806 -4.923 42.843 1.00 24.11 H new ATOM 0 HB3 PRO A 868 -12.646 -6.312 43.535 1.00 24.11 H new ATOM 0 HG2 PRO A 868 -14.412 -4.862 44.519 1.00 24.69 H new ATOM 0 HG3 PRO A 868 -13.443 -5.501 45.560 1.00 24.69 H new ATOM 0 HD2 PRO A 868 -13.259 -2.855 44.510 1.00 24.04 H new ATOM 0 HD3 PRO A 868 -13.165 -3.248 46.016 1.00 24.04 H new ATOM 1643 N ILE A 869 -10.383 -3.423 42.477 1.00 20.64 N ATOM 1644 CA ILE A 869 -9.532 -2.986 41.376 1.00 21.58 C ATOM 1645 C ILE A 869 -8.105 -2.815 41.892 1.00 20.92 C ATOM 1646 O ILE A 869 -7.152 -3.302 41.283 1.00 21.60 O ATOM 1647 CB ILE A 869 -10.022 -1.641 40.793 1.00 22.87 C ATOM 1648 CG1 ILE A 869 -11.448 -1.804 40.249 1.00 22.69 C ATOM 1649 CG2 ILE A 869 -9.074 -1.164 39.693 1.00 23.58 C ATOM 1650 CD1 ILE A 869 -11.985 -0.553 39.591 1.00 23.78 C ATOM 0 H ILE A 869 -10.967 -2.844 42.727 1.00 20.64 H new ATOM 0 HA ILE A 869 -9.565 -3.655 40.675 1.00 21.58 H new ATOM 0 HB ILE A 869 -10.030 -0.972 41.495 1.00 22.87 H new ATOM 0 HG12 ILE A 869 -11.461 -2.531 39.607 1.00 22.69 H new ATOM 0 HG13 ILE A 869 -12.038 -2.058 40.976 1.00 22.69 H new ATOM 0 HG21 ILE A 869 -9.392 -0.320 39.335 1.00 23.58 H new ATOM 0 HG22 ILE A 869 -8.185 -1.044 40.061 1.00 23.58 H new ATOM 0 HG23 ILE A 869 -9.043 -1.824 38.983 1.00 23.58 H new ATOM 0 HD11 ILE A 869 -12.885 -0.717 39.269 1.00 23.78 H new ATOM 0 HD12 ILE A 869 -12.000 0.171 40.236 1.00 23.78 H new ATOM 0 HD13 ILE A 869 -11.415 -0.309 38.845 1.00 23.78 H new ATOM 1651 N ALA A 870 -7.966 -2.119 43.015 1.00 21.50 N ATOM 1652 CA ALA A 870 -6.651 -1.895 43.610 1.00 21.81 C ATOM 1653 C ALA A 870 -5.967 -3.226 43.893 1.00 22.36 C ATOM 1654 O ALA A 870 -4.776 -3.383 43.631 1.00 20.79 O ATOM 1655 CB ALA A 870 -6.785 -1.088 44.900 1.00 19.45 C ATOM 0 H ALA A 870 -8.620 -1.767 43.449 1.00 21.50 H new ATOM 0 HA ALA A 870 -6.108 -1.392 42.983 1.00 21.81 H new ATOM 0 HB1 ALA A 870 -5.906 -0.946 45.286 1.00 19.45 H new ATOM 0 HB2 ALA A 870 -7.195 -0.231 44.705 1.00 19.45 H new ATOM 0 HB3 ALA A 870 -7.339 -1.574 45.530 1.00 19.45 H new ATOM 1656 N ARG A 871 -6.718 -4.191 44.419 1.00 23.05 N ATOM 1657 CA ARG A 871 -6.133 -5.496 44.718 1.00 23.64 C ATOM 1658 C ARG A 871 -5.635 -6.207 43.464 1.00 22.79 C ATOM 1659 O ARG A 871 -4.577 -6.838 43.482 1.00 21.91 O ATOM 1660 CB ARG A 871 -7.123 -6.410 45.454 1.00 26.02 C ATOM 1661 CG ARG A 871 -6.440 -7.683 45.951 1.00 30.19 C ATOM 1662 CD ARG A 871 -7.382 -8.656 46.634 1.00 36.12 C ATOM 1663 NE ARG A 871 -6.692 -9.906 46.945 1.00 38.53 N ATOM 1664 CZ ARG A 871 -5.822 -10.060 47.940 1.00 38.83 C ATOM 1665 NH1 ARG A 871 -5.532 -9.042 48.736 1.00 39.49 N ATOM 1666 NH2 ARG A 871 -5.238 -11.237 48.133 1.00 39.07 N ATOM 0 H ARG A 871 -7.553 -4.114 44.608 1.00 23.05 H new ATOM 0 HA ARG A 871 -5.374 -5.318 45.296 1.00 23.64 H new ATOM 0 HB2 ARG A 871 -7.509 -5.933 46.205 1.00 26.02 H new ATOM 0 HB3 ARG A 871 -7.854 -6.643 44.860 1.00 26.02 H new ATOM 0 HG2 ARG A 871 -6.018 -8.128 45.200 1.00 30.19 H new ATOM 0 HG3 ARG A 871 -5.734 -7.441 46.570 1.00 30.19 H new ATOM 0 HD2 ARG A 871 -7.729 -8.260 47.449 1.00 36.12 H new ATOM 0 HD3 ARG A 871 -8.143 -8.835 46.060 1.00 36.12 H new ATOM 0 HE ARG A 871 -6.860 -10.589 46.451 1.00 38.53 H new ATOM 0 HH11 ARG A 871 -5.906 -8.278 48.611 1.00 39.49 H new ATOM 0 HH12 ARG A 871 -4.969 -9.145 49.378 1.00 39.49 H new ATOM 0 HH21 ARG A 871 -5.422 -11.898 47.615 1.00 39.07 H new ATOM 0 HH22 ARG A 871 -4.676 -11.338 48.776 1.00 39.07 H new ATOM 1667 N GLU A 872 -6.392 -6.131 42.376 1.00 22.74 N ATOM 1668 CA GLU A 872 -5.943 -6.777 41.145 1.00 23.87 C ATOM 1669 C GLU A 872 -4.669 -6.103 40.637 1.00 22.57 C ATOM 1670 O GLU A 872 -3.773 -6.763 40.106 1.00 23.12 O ATOM 1671 CB GLU A 872 -7.031 -6.723 40.065 1.00 27.73 C ATOM 1672 CG GLU A 872 -8.153 -7.723 40.279 1.00 33.87 C ATOM 1673 CD GLU A 872 -9.188 -7.689 39.170 1.00 39.48 C ATOM 1674 OE1 GLU A 872 -10.105 -8.541 39.189 1.00 43.44 O ATOM 1675 OE2 GLU A 872 -9.088 -6.812 38.284 1.00 40.05 O ATOM 0 H GLU A 872 -7.148 -5.723 42.326 1.00 22.74 H new ATOM 0 HA GLU A 872 -5.757 -7.709 41.342 1.00 23.87 H new ATOM 0 HB2 GLU A 872 -7.406 -5.829 40.039 1.00 27.73 H new ATOM 0 HB3 GLU A 872 -6.625 -6.885 39.199 1.00 27.73 H new ATOM 0 HG2 GLU A 872 -7.778 -8.616 40.339 1.00 33.87 H new ATOM 0 HG3 GLU A 872 -8.587 -7.540 41.127 1.00 33.87 H new ATOM 1676 N LEU A 873 -4.584 -4.788 40.804 1.00 21.11 N ATOM 1677 CA LEU A 873 -3.402 -4.061 40.357 1.00 21.50 C ATOM 1678 C LEU A 873 -2.223 -4.365 41.277 1.00 20.91 C ATOM 1679 O LEU A 873 -1.075 -4.451 40.828 1.00 21.01 O ATOM 1680 CB LEU A 873 -3.691 -2.559 40.305 1.00 20.34 C ATOM 1681 CG LEU A 873 -4.678 -2.198 39.182 1.00 20.06 C ATOM 1682 CD1 LEU A 873 -5.120 -0.754 39.322 1.00 19.47 C ATOM 1683 CD2 LEU A 873 -4.019 -2.426 37.810 1.00 20.95 C ATOM 0 H LEU A 873 -5.192 -4.302 41.170 1.00 21.11 H new ATOM 0 HA LEU A 873 -3.170 -4.351 39.461 1.00 21.50 H new ATOM 0 HB2 LEU A 873 -4.053 -2.271 41.157 1.00 20.34 H new ATOM 0 HB3 LEU A 873 -2.861 -2.076 40.172 1.00 20.34 H new ATOM 0 HG LEU A 873 -5.459 -2.769 39.251 1.00 20.06 H new ATOM 0 HD11 LEU A 873 -5.742 -0.535 38.610 1.00 19.47 H new ATOM 0 HD12 LEU A 873 -5.555 -0.630 40.180 1.00 19.47 H new ATOM 0 HD13 LEU A 873 -4.346 -0.172 39.265 1.00 19.47 H new ATOM 0 HD21 LEU A 873 -4.647 -2.196 37.107 1.00 20.95 H new ATOM 0 HD22 LEU A 873 -3.230 -1.867 37.733 1.00 20.95 H new ATOM 0 HD23 LEU A 873 -3.765 -3.358 37.724 1.00 20.95 H new ATOM 1684 N HIS A 874 -2.510 -4.525 42.564 1.00 19.96 N ATOM 1685 CA HIS A 874 -1.476 -4.870 43.535 1.00 22.79 C ATOM 1686 C HIS A 874 -0.856 -6.204 43.136 1.00 22.79 C ATOM 1687 O HIS A 874 0.366 -6.374 43.157 1.00 21.72 O ATOM 1688 CB HIS A 874 -2.083 -5.009 44.931 1.00 21.96 C ATOM 1689 CG HIS A 874 -2.290 -3.707 45.639 1.00 23.39 C ATOM 1690 ND1 HIS A 874 -3.312 -3.512 46.542 1.00 25.08 N ATOM 1691 CD2 HIS A 874 -1.577 -2.555 45.621 1.00 25.50 C ATOM 1692 CE1 HIS A 874 -3.222 -2.295 47.049 1.00 25.74 C ATOM 1693 NE2 HIS A 874 -2.178 -1.694 46.508 1.00 24.10 N ATOM 0 H HIS A 874 -3.298 -4.438 42.897 1.00 19.96 H new ATOM 0 HA HIS A 874 -0.805 -4.169 43.548 1.00 22.79 H new ATOM 0 HB2 HIS A 874 -2.936 -5.466 44.859 1.00 21.96 H new ATOM 0 HB3 HIS A 874 -1.505 -5.571 45.470 1.00 21.96 H new ATOM 0 HD1 HIS A 874 -3.914 -4.092 46.744 1.00 25.08 H new ATOM 0 HD2 HIS A 874 -0.823 -2.380 45.106 1.00 25.50 H new ATOM 0 HE1 HIS A 874 -3.796 -1.925 47.680 1.00 25.74 H new ATOM 1694 N GLN A 875 -1.712 -7.155 42.775 1.00 22.30 N ATOM 1695 CA GLN A 875 -1.251 -8.479 42.370 1.00 23.21 C ATOM 1696 C GLN A 875 -0.410 -8.394 41.098 1.00 23.03 C ATOM 1697 O GLN A 875 0.664 -9.005 40.996 1.00 22.14 O ATOM 1698 CB GLN A 875 -2.449 -9.403 42.130 1.00 25.79 C ATOM 1699 CG GLN A 875 -2.059 -10.842 41.839 1.00 30.88 C ATOM 1700 CD GLN A 875 -1.275 -11.468 42.984 1.00 34.84 C ATOM 1701 OE1 GLN A 875 -1.813 -11.694 44.068 1.00 37.85 O ATOM 1702 NE2 GLN A 875 0.005 -11.739 42.750 1.00 35.53 N ATOM 0 H GLN A 875 -2.566 -7.054 42.758 1.00 22.30 H new ATOM 0 HA GLN A 875 -0.702 -8.840 43.084 1.00 23.21 H new ATOM 0 HB2 GLN A 875 -3.024 -9.383 42.911 1.00 25.79 H new ATOM 0 HB3 GLN A 875 -2.968 -9.060 41.386 1.00 25.79 H new ATOM 0 HG2 GLN A 875 -2.859 -11.365 41.673 1.00 30.88 H new ATOM 0 HG3 GLN A 875 -1.526 -10.874 41.029 1.00 30.88 H new ATOM 0 HE21 GLN A 875 0.347 -11.567 41.980 1.00 35.53 H new ATOM 0 HE22 GLN A 875 0.491 -12.086 43.369 1.00 35.53 H new ATOM 1703 N PHE A 876 -0.902 -7.625 40.133 1.00 21.61 N ATOM 1704 CA PHE A 876 -0.219 -7.457 38.858 1.00 22.73 C ATOM 1705 C PHE A 876 1.155 -6.802 38.998 1.00 21.58 C ATOM 1706 O PHE A 876 2.147 -7.293 38.442 1.00 20.64 O ATOM 1707 CB PHE A 876 -1.105 -6.638 37.907 1.00 23.26 C ATOM 1708 CG PHE A 876 -0.519 -6.447 36.532 1.00 26.72 C ATOM 1709 CD1 PHE A 876 0.188 -5.290 36.215 1.00 28.98 C ATOM 1710 CD2 PHE A 876 -0.675 -7.421 35.555 1.00 28.00 C ATOM 1711 CE1 PHE A 876 0.726 -5.110 34.940 1.00 28.75 C ATOM 1712 CE2 PHE A 876 -0.140 -7.251 34.281 1.00 28.99 C ATOM 1713 CZ PHE A 876 0.560 -6.093 33.974 1.00 28.23 C ATOM 0 H PHE A 876 -1.639 -7.187 40.199 1.00 21.61 H new ATOM 0 HA PHE A 876 -0.065 -8.343 38.494 1.00 22.73 H new ATOM 0 HB2 PHE A 876 -1.966 -7.078 37.823 1.00 23.26 H new ATOM 0 HB3 PHE A 876 -1.269 -5.767 38.302 1.00 23.26 H new ATOM 0 HD1 PHE A 876 0.303 -4.630 36.860 1.00 28.98 H new ATOM 0 HD2 PHE A 876 -1.144 -8.199 35.755 1.00 28.00 H new ATOM 0 HE1 PHE A 876 1.195 -4.333 34.738 1.00 28.75 H new ATOM 0 HE2 PHE A 876 -0.252 -7.912 33.637 1.00 28.99 H new ATOM 0 HZ PHE A 876 0.917 -5.976 33.123 1.00 28.23 H new ATOM 1714 N THR A 877 1.220 -5.704 39.743 1.00 20.09 N ATOM 1715 CA THR A 877 2.484 -5.006 39.905 1.00 21.40 C ATOM 1716 C THR A 877 3.477 -5.831 40.717 1.00 22.07 C ATOM 1717 O THR A 877 4.681 -5.785 40.461 1.00 22.06 O ATOM 1718 CB THR A 877 2.295 -3.612 40.551 1.00 21.55 C ATOM 1719 OG1 THR A 877 3.506 -2.861 40.390 1.00 22.76 O ATOM 1720 CG2 THR A 877 1.968 -3.720 42.038 1.00 17.07 C ATOM 0 H THR A 877 0.553 -5.352 40.157 1.00 20.09 H new ATOM 0 HA THR A 877 2.846 -4.878 39.014 1.00 21.40 H new ATOM 0 HB THR A 877 1.552 -3.170 40.112 1.00 21.55 H new ATOM 0 HG1 THR A 877 3.479 -2.438 39.665 1.00 22.76 H new ATOM 0 HG21 THR A 877 1.856 -2.831 42.410 1.00 17.07 H new ATOM 0 HG22 THR A 877 1.147 -4.224 42.153 1.00 17.07 H new ATOM 0 HG23 THR A 877 2.692 -4.174 42.497 1.00 17.07 H new ATOM 1721 N PHE A 878 2.978 -6.588 41.692 1.00 21.76 N ATOM 1722 CA PHE A 878 3.859 -7.434 42.493 1.00 22.97 C ATOM 1723 C PHE A 878 4.510 -8.475 41.581 1.00 23.15 C ATOM 1724 O PHE A 878 5.724 -8.658 41.607 1.00 22.03 O ATOM 1725 CB PHE A 878 3.083 -8.153 43.601 1.00 21.89 C ATOM 1726 CG PHE A 878 3.886 -9.216 44.307 1.00 22.69 C ATOM 1727 CD1 PHE A 878 4.835 -8.870 45.268 1.00 21.62 C ATOM 1728 CD2 PHE A 878 3.726 -10.563 43.978 1.00 21.74 C ATOM 1729 CE1 PHE A 878 5.617 -9.857 45.886 1.00 22.51 C ATOM 1730 CE2 PHE A 878 4.500 -11.549 44.588 1.00 22.89 C ATOM 1731 CZ PHE A 878 5.449 -11.196 45.542 1.00 21.91 C ATOM 0 H PHE A 878 2.145 -6.626 41.903 1.00 21.76 H new ATOM 0 HA PHE A 878 4.532 -6.872 42.908 1.00 22.97 H new ATOM 0 HB2 PHE A 878 2.783 -7.499 44.252 1.00 21.89 H new ATOM 0 HB3 PHE A 878 2.289 -8.558 43.219 1.00 21.89 H new ATOM 0 HD1 PHE A 878 4.951 -7.977 45.501 1.00 21.62 H new ATOM 0 HD2 PHE A 878 3.093 -10.807 43.342 1.00 21.74 H new ATOM 0 HE1 PHE A 878 6.248 -9.617 46.526 1.00 22.51 H new ATOM 0 HE2 PHE A 878 4.382 -12.442 44.357 1.00 22.89 H new ATOM 0 HZ PHE A 878 5.969 -11.851 45.948 1.00 21.91 H new ATOM 1732 N ASP A 879 3.698 -9.156 40.777 1.00 22.40 N ATOM 1733 CA ASP A 879 4.220 -10.169 39.866 1.00 24.42 C ATOM 1734 C ASP A 879 5.217 -9.557 38.887 1.00 24.65 C ATOM 1735 O ASP A 879 6.259 -10.150 38.586 1.00 24.49 O ATOM 1736 CB ASP A 879 3.085 -10.831 39.081 1.00 28.11 C ATOM 1737 CG ASP A 879 2.129 -11.597 39.970 1.00 32.93 C ATOM 1738 OD1 ASP A 879 2.518 -11.953 41.103 1.00 35.02 O ATOM 1739 OD2 ASP A 879 0.988 -11.857 39.527 1.00 34.33 O ATOM 0 H ASP A 879 2.846 -9.047 40.744 1.00 22.40 H new ATOM 0 HA ASP A 879 4.671 -10.840 40.402 1.00 24.42 H new ATOM 0 HB2 ASP A 879 2.594 -10.151 38.595 1.00 28.11 H new ATOM 0 HB3 ASP A 879 3.462 -11.435 38.422 1.00 28.11 H new ATOM 1740 N LEU A 880 4.896 -8.363 38.398 1.00 22.15 N ATOM 1741 CA LEU A 880 5.762 -7.670 37.452 1.00 22.76 C ATOM 1742 C LEU A 880 7.122 -7.316 38.066 1.00 22.28 C ATOM 1743 O LEU A 880 8.154 -7.455 37.411 1.00 24.40 O ATOM 1744 CB LEU A 880 5.061 -6.406 36.939 1.00 22.83 C ATOM 1745 CG LEU A 880 5.811 -5.580 35.889 1.00 23.18 C ATOM 1746 CD1 LEU A 880 6.181 -6.448 34.695 1.00 24.39 C ATOM 1747 CD2 LEU A 880 4.933 -4.413 35.453 1.00 23.48 C ATOM 0 H LEU A 880 4.178 -7.936 38.603 1.00 22.15 H new ATOM 0 HA LEU A 880 5.932 -8.271 36.710 1.00 22.76 H new ATOM 0 HB2 LEU A 880 4.205 -6.666 36.565 1.00 22.83 H new ATOM 0 HB3 LEU A 880 4.876 -5.833 37.699 1.00 22.83 H new ATOM 0 HG LEU A 880 6.633 -5.237 36.274 1.00 23.18 H new ATOM 0 HD11 LEU A 880 6.655 -5.912 34.040 1.00 24.39 H new ATOM 0 HD12 LEU A 880 6.750 -7.177 34.988 1.00 24.39 H new ATOM 0 HD13 LEU A 880 5.375 -6.809 34.295 1.00 24.39 H new ATOM 0 HD21 LEU A 880 5.402 -3.886 34.788 1.00 23.48 H new ATOM 0 HD22 LEU A 880 4.108 -4.753 35.072 1.00 23.48 H new ATOM 0 HD23 LEU A 880 4.729 -3.857 36.221 1.00 23.48 H new ATOM 1748 N LEU A 881 7.134 -6.855 39.313 1.00 21.37 N ATOM 1749 CA LEU A 881 8.399 -6.512 39.967 1.00 21.86 C ATOM 1750 C LEU A 881 9.288 -7.749 40.072 1.00 23.18 C ATOM 1751 O LEU A 881 10.491 -7.696 39.788 1.00 21.72 O ATOM 1752 CB LEU A 881 8.155 -5.944 41.371 1.00 23.13 C ATOM 1753 CG LEU A 881 9.417 -5.690 42.212 1.00 23.79 C ATOM 1754 CD1 LEU A 881 10.333 -4.705 41.496 1.00 23.39 C ATOM 1755 CD2 LEU A 881 9.027 -5.163 43.589 1.00 24.79 C ATOM 0 H LEU A 881 6.432 -6.734 39.795 1.00 21.37 H new ATOM 0 HA LEU A 881 8.840 -5.837 39.428 1.00 21.86 H new ATOM 0 HB2 LEU A 881 7.669 -5.109 41.285 1.00 23.13 H new ATOM 0 HB3 LEU A 881 7.581 -6.557 41.856 1.00 23.13 H new ATOM 0 HG LEU A 881 9.897 -6.525 42.327 1.00 23.79 H new ATOM 0 HD11 LEU A 881 11.126 -4.551 42.033 1.00 23.39 H new ATOM 0 HD12 LEU A 881 10.592 -5.070 40.636 1.00 23.39 H new ATOM 0 HD13 LEU A 881 9.865 -3.866 41.363 1.00 23.39 H new ATOM 0 HD21 LEU A 881 9.827 -5.005 44.114 1.00 24.79 H new ATOM 0 HD22 LEU A 881 8.536 -4.332 43.491 1.00 24.79 H new ATOM 0 HD23 LEU A 881 8.469 -5.816 44.040 1.00 24.79 H new ATOM 1756 N ILE A 882 8.686 -8.859 40.487 1.00 23.05 N ATOM 1757 CA ILE A 882 9.400 -10.118 40.637 1.00 24.75 C ATOM 1758 C ILE A 882 10.065 -10.563 39.336 1.00 26.10 C ATOM 1759 O ILE A 882 11.151 -11.148 39.352 1.00 26.75 O ATOM 1760 CB ILE A 882 8.443 -11.239 41.128 1.00 26.11 C ATOM 1761 CG1 ILE A 882 7.920 -10.910 42.531 1.00 25.06 C ATOM 1762 CG2 ILE A 882 9.162 -12.586 41.131 1.00 26.99 C ATOM 1763 CD1 ILE A 882 9.003 -10.780 43.596 1.00 26.69 C ATOM 0 H ILE A 882 7.851 -8.902 40.689 1.00 23.05 H new ATOM 0 HA ILE A 882 10.094 -9.965 41.297 1.00 24.75 H new ATOM 0 HB ILE A 882 7.689 -11.294 40.520 1.00 26.11 H new ATOM 0 HG12 ILE A 882 7.421 -10.079 42.491 1.00 25.06 H new ATOM 0 HG13 ILE A 882 7.297 -11.603 42.802 1.00 25.06 H new ATOM 0 HG21 ILE A 882 8.555 -13.277 41.439 1.00 26.99 H new ATOM 0 HG22 ILE A 882 9.460 -12.796 40.232 1.00 26.99 H new ATOM 0 HG23 ILE A 882 9.929 -12.542 41.724 1.00 26.99 H new ATOM 0 HD11 ILE A 882 8.594 -10.572 44.450 1.00 26.69 H new ATOM 0 HD12 ILE A 882 9.490 -11.616 43.666 1.00 26.69 H new ATOM 0 HD13 ILE A 882 9.615 -10.069 43.350 1.00 26.69 H new ATOM 1764 N LYS A 883 9.425 -10.281 38.206 1.00 26.81 N ATOM 1765 CA LYS A 883 9.984 -10.681 36.917 1.00 29.04 C ATOM 1766 C LYS A 883 10.424 -9.496 36.067 1.00 28.98 C ATOM 1767 O LYS A 883 10.688 -9.651 34.877 1.00 30.29 O ATOM 1768 CB LYS A 883 8.956 -11.502 36.136 1.00 30.01 C ATOM 1769 CG LYS A 883 7.691 -10.736 35.782 1.00 32.35 C ATOM 1770 CD LYS A 883 6.696 -11.627 35.049 1.00 36.98 C ATOM 1771 CE LYS A 883 5.431 -10.869 34.673 1.00 39.58 C ATOM 1772 NZ LYS A 883 4.460 -11.748 33.953 1.00 42.02 N ATOM 0 H LYS A 883 8.674 -9.864 38.162 1.00 26.81 H new ATOM 0 HA LYS A 883 10.773 -11.212 37.109 1.00 29.04 H new ATOM 0 HB2 LYS A 883 9.367 -11.824 35.319 1.00 30.01 H new ATOM 0 HB3 LYS A 883 8.715 -12.282 36.659 1.00 30.01 H new ATOM 0 HG2 LYS A 883 7.283 -10.388 36.590 1.00 32.35 H new ATOM 0 HG3 LYS A 883 7.916 -9.973 35.227 1.00 32.35 H new ATOM 0 HD2 LYS A 883 7.110 -11.983 34.248 1.00 36.98 H new ATOM 0 HD3 LYS A 883 6.465 -12.384 35.610 1.00 36.98 H new ATOM 0 HE2 LYS A 883 5.015 -10.513 35.474 1.00 39.58 H new ATOM 0 HE3 LYS A 883 5.661 -10.111 34.113 1.00 39.58 H new ATOM 0 HZ1 LYS A 883 3.732 -11.280 33.746 1.00 42.02 H new ATOM 0 HZ2 LYS A 883 4.835 -12.057 33.207 1.00 42.02 H new ATOM 0 HZ3 LYS A 883 4.234 -12.432 34.476 1.00 42.02 H new ATOM 1773 N SER A 884 10.522 -8.322 36.680 1.00 29.34 N ATOM 1774 CA SER A 884 10.895 -7.104 35.962 1.00 30.36 C ATOM 1775 C SER A 884 12.149 -7.220 35.100 1.00 32.65 C ATOM 1776 O SER A 884 12.175 -6.730 33.969 1.00 29.07 O ATOM 1777 CB SER A 884 11.066 -5.949 36.950 1.00 29.95 C ATOM 1778 OG SER A 884 12.070 -6.241 37.900 1.00 31.30 O ATOM 0 H SER A 884 10.375 -8.207 37.520 1.00 29.34 H new ATOM 0 HA SER A 884 10.164 -6.938 35.346 1.00 30.36 H new ATOM 0 HB2 SER A 884 11.297 -5.139 36.469 1.00 29.95 H new ATOM 0 HB3 SER A 884 10.226 -5.780 37.404 1.00 29.95 H new ATOM 0 HG SER A 884 11.737 -6.680 38.534 1.00 31.30 H new ATOM 1779 N HIS A 885 13.189 -7.854 35.635 1.00 35.14 N ATOM 1780 CA HIS A 885 14.432 -8.014 34.890 1.00 39.26 C ATOM 1781 C HIS A 885 14.227 -8.903 33.662 1.00 39.62 C ATOM 1782 O HIS A 885 14.945 -8.779 32.675 1.00 41.49 O ATOM 1783 CB HIS A 885 15.525 -8.597 35.797 1.00 41.52 C ATOM 1784 CG HIS A 885 15.187 -9.938 36.368 1.00 45.35 C ATOM 1785 ND1 HIS A 885 14.045 -10.165 37.109 1.00 46.68 N ATOM 1786 CD2 HIS A 885 15.836 -11.125 36.303 1.00 46.11 C ATOM 1787 CE1 HIS A 885 14.007 -11.434 37.473 1.00 48.14 C ATOM 1788 NE2 HIS A 885 15.082 -12.039 36.997 1.00 47.82 N ATOM 0 H HIS A 885 13.195 -8.197 36.424 1.00 35.14 H new ATOM 0 HA HIS A 885 14.715 -7.139 34.582 1.00 39.26 H new ATOM 0 HB2 HIS A 885 16.349 -8.669 35.290 1.00 41.52 H new ATOM 0 HB3 HIS A 885 15.693 -7.978 36.525 1.00 41.52 H new ATOM 0 HD2 HIS A 885 16.642 -11.290 35.869 1.00 46.11 H new ATOM 0 HE1 HIS A 885 13.337 -11.834 37.979 1.00 48.14 H new ATOM 0 HE2 HIS A 885 15.277 -12.870 37.105 1.00 47.82 H new ATOM 1789 N MET A 886 13.231 -9.784 33.717 1.00 40.55 N ATOM 1790 CA MET A 886 12.943 -10.683 32.602 1.00 41.32 C ATOM 1791 C MET A 886 12.166 -10.013 31.467 1.00 40.61 C ATOM 1792 O MET A 886 12.295 -10.407 30.308 1.00 39.73 O ATOM 1793 CB MET A 886 12.143 -11.897 33.081 1.00 44.28 C ATOM 1794 CG MET A 886 12.808 -12.727 34.164 1.00 49.37 C ATOM 1795 SD MET A 886 11.788 -14.166 34.579 1.00 55.49 S ATOM 1796 CE MET A 886 13.026 -15.280 35.275 1.00 54.37 C ATOM 0 H MET A 886 12.708 -9.877 34.394 1.00 40.55 H new ATOM 0 HA MET A 886 13.808 -10.953 32.255 1.00 41.32 H new ATOM 0 HB2 MET A 886 11.284 -11.590 33.411 1.00 44.28 H new ATOM 0 HB3 MET A 886 11.965 -12.470 32.319 1.00 44.28 H new ATOM 0 HG2 MET A 886 13.682 -13.020 33.863 1.00 49.37 H new ATOM 0 HG3 MET A 886 12.947 -12.184 34.955 1.00 49.37 H new ATOM 0 HE1 MET A 886 12.601 -16.109 35.544 1.00 54.37 H new ATOM 0 HE2 MET A 886 13.705 -15.467 34.608 1.00 54.37 H new ATOM 0 HE3 MET A 886 13.439 -14.863 36.048 1.00 54.37 H new ATOM 1797 N VAL A 887 11.356 -9.009 31.797 1.00 38.44 N ATOM 1798 CA VAL A 887 10.554 -8.325 30.787 1.00 35.91 C ATOM 1799 C VAL A 887 11.006 -6.902 30.467 1.00 35.13 C ATOM 1800 O VAL A 887 10.302 -6.166 29.779 1.00 33.03 O ATOM 1801 CB VAL A 887 9.064 -8.281 31.198 1.00 36.41 C ATOM 1802 CG1 VAL A 887 8.475 -9.687 31.183 1.00 36.84 C ATOM 1803 CG2 VAL A 887 8.928 -7.662 32.583 1.00 36.86 C ATOM 0 H VAL A 887 11.257 -8.710 32.597 1.00 38.44 H new ATOM 0 HA VAL A 887 10.681 -8.853 29.983 1.00 35.91 H new ATOM 0 HB VAL A 887 8.575 -7.735 30.563 1.00 36.41 H new ATOM 0 HG11 VAL A 887 7.541 -9.650 31.442 1.00 36.84 H new ATOM 0 HG12 VAL A 887 8.548 -10.059 30.290 1.00 36.84 H new ATOM 0 HG13 VAL A 887 8.961 -10.248 31.807 1.00 36.84 H new ATOM 0 HG21 VAL A 887 7.992 -7.637 32.836 1.00 36.86 H new ATOM 0 HG22 VAL A 887 9.422 -8.195 33.226 1.00 36.86 H new ATOM 0 HG23 VAL A 887 9.284 -6.760 32.571 1.00 36.86 H new ATOM 1804 N SER A 888 12.172 -6.513 30.972 1.00 33.43 N ATOM 1805 CA SER A 888 12.714 -5.182 30.711 1.00 33.49 C ATOM 1806 C SER A 888 11.855 -4.026 31.228 1.00 31.92 C ATOM 1807 O SER A 888 11.746 -2.984 30.577 1.00 30.30 O ATOM 1808 CB SER A 888 12.948 -5.005 29.207 1.00 36.14 C ATOM 1809 OG SER A 888 13.834 -5.993 28.710 1.00 39.16 O ATOM 0 H SER A 888 12.668 -7.007 31.471 1.00 33.43 H new ATOM 0 HA SER A 888 13.546 -5.139 31.207 1.00 33.49 H new ATOM 0 HB2 SER A 888 12.102 -5.059 28.736 1.00 36.14 H new ATOM 0 HB3 SER A 888 13.313 -4.123 29.035 1.00 36.14 H new ATOM 0 HG SER A 888 13.947 -5.879 27.886 1.00 39.16 H new ATOM 1810 N VAL A 889 11.244 -4.206 32.393 1.00 30.18 N ATOM 1811 CA VAL A 889 10.433 -3.150 32.983 1.00 28.91 C ATOM 1812 C VAL A 889 11.189 -2.529 34.147 1.00 28.72 C ATOM 1813 O VAL A 889 11.635 -3.228 35.058 1.00 28.57 O ATOM 1814 CB VAL A 889 9.074 -3.680 33.487 1.00 27.70 C ATOM 1815 CG1 VAL A 889 8.384 -2.613 34.336 1.00 26.18 C ATOM 1816 CG2 VAL A 889 8.194 -4.045 32.295 1.00 25.30 C ATOM 0 H VAL A 889 11.286 -4.929 32.856 1.00 30.18 H new ATOM 0 HA VAL A 889 10.259 -2.489 32.295 1.00 28.91 H new ATOM 0 HB VAL A 889 9.219 -4.470 34.031 1.00 27.70 H new ATOM 0 HG11 VAL A 889 7.531 -2.951 34.650 1.00 26.18 H new ATOM 0 HG12 VAL A 889 8.944 -2.393 35.097 1.00 26.18 H new ATOM 0 HG13 VAL A 889 8.239 -1.817 33.801 1.00 26.18 H new ATOM 0 HG21 VAL A 889 7.340 -4.378 32.613 1.00 25.30 H new ATOM 0 HG22 VAL A 889 8.050 -3.258 31.746 1.00 25.30 H new ATOM 0 HG23 VAL A 889 8.632 -4.731 31.767 1.00 25.30 H new ATOM 1817 N ASP A 890 11.337 -1.212 34.114 1.00 28.30 N ATOM 1818 CA ASP A 890 12.050 -0.518 35.173 1.00 30.34 C ATOM 1819 C ASP A 890 11.137 -0.032 36.287 1.00 28.62 C ATOM 1820 O ASP A 890 10.070 0.541 36.035 1.00 27.84 O ATOM 1821 CB ASP A 890 12.826 0.675 34.606 1.00 32.66 C ATOM 1822 CG ASP A 890 13.869 0.261 33.582 1.00 38.77 C ATOM 1823 OD1 ASP A 890 14.580 -0.740 33.824 1.00 39.98 O ATOM 1824 OD2 ASP A 890 13.985 0.942 32.541 1.00 40.88 O ATOM 0 H ASP A 890 11.033 -0.704 33.490 1.00 28.30 H new ATOM 0 HA ASP A 890 12.661 -1.167 35.556 1.00 30.34 H new ATOM 0 HB2 ASP A 890 12.204 1.296 34.196 1.00 32.66 H new ATOM 0 HB3 ASP A 890 13.261 1.148 35.332 1.00 32.66 H new ATOM 1825 N PHE A 891 11.567 -0.277 37.520 1.00 28.13 N ATOM 1826 CA PHE A 891 10.842 0.160 38.705 1.00 26.25 C ATOM 1827 C PHE A 891 11.683 1.185 39.452 1.00 26.69 C ATOM 1828 O PHE A 891 12.826 0.903 39.826 1.00 25.10 O ATOM 1829 CB PHE A 891 10.565 -1.008 39.658 1.00 26.31 C ATOM 1830 CG PHE A 891 9.347 -1.810 39.307 1.00 24.43 C ATOM 1831 CD1 PHE A 891 9.400 -2.791 38.322 1.00 22.99 C ATOM 1832 CD2 PHE A 891 8.140 -1.584 39.969 1.00 24.85 C ATOM 1833 CE1 PHE A 891 8.268 -3.539 37.999 1.00 23.01 C ATOM 1834 CE2 PHE A 891 7.001 -2.327 39.654 1.00 22.95 C ATOM 1835 CZ PHE A 891 7.066 -3.304 38.669 1.00 23.14 C ATOM 0 H PHE A 891 12.293 -0.705 37.693 1.00 28.13 H new ATOM 0 HA PHE A 891 9.997 0.538 38.415 1.00 26.25 H new ATOM 0 HB2 PHE A 891 11.336 -1.596 39.666 1.00 26.31 H new ATOM 0 HB3 PHE A 891 10.464 -0.661 40.558 1.00 26.31 H new ATOM 0 HD1 PHE A 891 10.199 -2.950 37.874 1.00 22.99 H new ATOM 0 HD2 PHE A 891 8.094 -0.930 40.629 1.00 24.85 H new ATOM 0 HE1 PHE A 891 8.314 -4.193 37.339 1.00 23.01 H new ATOM 0 HE2 PHE A 891 6.202 -2.168 40.102 1.00 22.95 H new ATOM 0 HZ PHE A 891 6.309 -3.801 38.456 1.00 23.14 H new ATOM 1836 N PRO A 892 11.133 2.392 39.669 1.00 25.59 N ATOM 1837 CA PRO A 892 11.841 3.457 40.387 1.00 25.24 C ATOM 1838 C PRO A 892 12.031 3.057 41.851 1.00 25.57 C ATOM 1839 O PRO A 892 11.365 2.147 42.345 1.00 25.68 O ATOM 1840 CB PRO A 892 10.908 4.660 40.240 1.00 25.94 C ATOM 1841 CG PRO A 892 10.181 4.382 38.970 1.00 27.09 C ATOM 1842 CD PRO A 892 9.895 2.909 39.060 1.00 24.56 C ATOM 0 HA PRO A 892 12.730 3.642 40.046 1.00 25.24 H new ATOM 0 HB2 PRO A 892 10.299 4.734 40.991 1.00 25.94 H new ATOM 0 HB3 PRO A 892 11.403 5.493 40.193 1.00 25.94 H new ATOM 0 HG2 PRO A 892 9.365 4.903 38.902 1.00 27.09 H new ATOM 0 HG3 PRO A 892 10.721 4.596 38.193 1.00 27.09 H new ATOM 0 HD2 PRO A 892 9.116 2.723 39.608 1.00 24.56 H new ATOM 0 HD3 PRO A 892 9.729 2.518 38.188 1.00 24.56 H new ATOM 1843 N GLU A 893 12.920 3.764 42.540 1.00 26.75 N ATOM 1844 CA GLU A 893 13.247 3.495 43.939 1.00 26.45 C ATOM 1845 C GLU A 893 12.086 3.323 44.931 1.00 25.31 C ATOM 1846 O GLU A 893 11.956 2.276 45.559 1.00 25.38 O ATOM 1847 CB GLU A 893 14.188 4.586 44.450 1.00 28.85 C ATOM 1848 CG GLU A 893 14.888 4.245 45.745 1.00 33.87 C ATOM 1849 CD GLU A 893 15.949 5.268 46.115 1.00 37.54 C ATOM 1850 OE1 GLU A 893 16.551 5.135 47.199 1.00 41.59 O ATOM 1851 OE2 GLU A 893 16.185 6.204 45.321 1.00 38.92 O ATOM 0 H GLU A 893 13.358 4.424 42.204 1.00 26.75 H new ATOM 0 HA GLU A 893 13.654 2.615 43.914 1.00 26.45 H new ATOM 0 HB2 GLU A 893 14.857 4.766 43.771 1.00 28.85 H new ATOM 0 HB3 GLU A 893 13.681 5.404 44.574 1.00 28.85 H new ATOM 0 HG2 GLU A 893 14.234 4.189 46.459 1.00 33.87 H new ATOM 0 HG3 GLU A 893 15.299 3.370 45.667 1.00 33.87 H new ATOM 1852 N MET A 894 11.251 4.342 45.094 1.00 24.56 N ATOM 1853 CA MET A 894 10.151 4.226 46.046 1.00 24.43 C ATOM 1854 C MET A 894 9.162 3.125 45.682 1.00 24.24 C ATOM 1855 O MET A 894 8.748 2.347 46.541 1.00 23.98 O ATOM 1856 CB MET A 894 9.418 5.563 46.193 1.00 24.71 C ATOM 1857 CG MET A 894 10.288 6.680 46.780 1.00 25.24 C ATOM 1858 SD MET A 894 9.355 8.173 47.163 1.00 26.80 S ATOM 1859 CE MET A 894 8.904 8.696 45.521 1.00 25.13 C ATOM 0 H MET A 894 11.299 5.092 44.676 1.00 24.56 H new ATOM 0 HA MET A 894 10.550 3.980 46.895 1.00 24.43 H new ATOM 0 HB2 MET A 894 9.092 5.841 45.323 1.00 24.71 H new ATOM 0 HB3 MET A 894 8.641 5.437 46.760 1.00 24.71 H new ATOM 0 HG2 MET A 894 10.718 6.357 47.587 1.00 25.24 H new ATOM 0 HG3 MET A 894 10.993 6.898 46.151 1.00 25.24 H new ATOM 0 HE1 MET A 894 8.826 9.663 45.499 1.00 25.13 H new ATOM 0 HE2 MET A 894 9.586 8.413 44.892 1.00 25.13 H new ATOM 0 HE3 MET A 894 8.054 8.298 45.276 1.00 25.13 H new ATOM 1860 N MET A 895 8.786 3.060 44.410 1.00 22.82 N ATOM 1861 CA MET A 895 7.841 2.048 43.950 1.00 23.55 C ATOM 1862 C MET A 895 8.340 0.637 44.246 1.00 24.03 C ATOM 1863 O MET A 895 7.580 -0.212 44.708 1.00 23.97 O ATOM 1864 CB MET A 895 7.593 2.204 42.444 1.00 23.06 C ATOM 1865 CG MET A 895 6.823 3.461 42.062 1.00 23.04 C ATOM 1866 SD MET A 895 5.064 3.358 42.542 1.00 24.20 S ATOM 1867 CE MET A 895 4.445 2.349 41.235 1.00 25.32 C ATOM 0 H MET A 895 9.066 3.593 43.796 1.00 22.82 H new ATOM 0 HA MET A 895 7.010 2.180 44.433 1.00 23.55 H new ATOM 0 HB2 MET A 895 8.448 2.209 41.985 1.00 23.06 H new ATOM 0 HB3 MET A 895 7.104 1.429 42.125 1.00 23.06 H new ATOM 0 HG2 MET A 895 7.230 4.231 42.490 1.00 23.04 H new ATOM 0 HG3 MET A 895 6.888 3.601 41.104 1.00 23.04 H new ATOM 0 HE1 MET A 895 3.484 2.257 41.325 1.00 25.32 H new ATOM 0 HE2 MET A 895 4.652 2.762 40.382 1.00 25.32 H new ATOM 0 HE3 MET A 895 4.859 1.473 41.279 1.00 25.32 H new ATOM 1868 N ALA A 896 9.621 0.389 43.983 1.00 23.88 N ATOM 1869 CA ALA A 896 10.205 -0.928 44.210 1.00 23.83 C ATOM 1870 C ALA A 896 10.182 -1.298 45.685 1.00 23.87 C ATOM 1871 O ALA A 896 9.892 -2.441 46.048 1.00 24.40 O ATOM 1872 CB ALA A 896 11.645 -0.961 43.680 1.00 25.47 C ATOM 0 H ALA A 896 10.170 0.973 43.671 1.00 23.88 H new ATOM 0 HA ALA A 896 9.671 -1.580 43.731 1.00 23.83 H new ATOM 0 HB1 ALA A 896 12.027 -1.839 43.834 1.00 25.47 H new ATOM 0 HB2 ALA A 896 11.644 -0.772 42.729 1.00 25.47 H new ATOM 0 HB3 ALA A 896 12.175 -0.293 44.142 1.00 25.47 H new ATOM 1873 N GLU A 897 10.492 -0.324 46.532 1.00 24.98 N ATOM 1874 CA GLU A 897 10.512 -0.542 47.968 1.00 25.88 C ATOM 1875 C GLU A 897 9.114 -0.833 48.505 1.00 25.46 C ATOM 1876 O GLU A 897 8.910 -1.786 49.246 1.00 25.36 O ATOM 1877 CB GLU A 897 11.090 0.686 48.666 1.00 28.86 C ATOM 1878 CG GLU A 897 11.039 0.620 50.178 1.00 35.13 C ATOM 1879 CD GLU A 897 11.801 1.758 50.822 1.00 41.78 C ATOM 1880 OE1 GLU A 897 13.046 1.790 50.686 1.00 45.17 O ATOM 1881 OE2 GLU A 897 11.157 2.624 51.453 1.00 43.77 O ATOM 0 H GLU A 897 10.695 0.476 46.291 1.00 24.98 H new ATOM 0 HA GLU A 897 11.070 -1.315 48.149 1.00 25.88 H new ATOM 0 HB2 GLU A 897 12.012 0.800 48.388 1.00 28.86 H new ATOM 0 HB3 GLU A 897 10.605 1.472 48.370 1.00 28.86 H new ATOM 0 HG2 GLU A 897 10.115 0.644 50.471 1.00 35.13 H new ATOM 0 HG3 GLU A 897 11.409 -0.226 50.477 1.00 35.13 H new ATOM 1882 N ILE A 898 8.150 -0.010 48.120 1.00 24.58 N ATOM 1883 CA ILE A 898 6.784 -0.192 48.592 1.00 24.86 C ATOM 1884 C ILE A 898 6.136 -1.481 48.094 1.00 23.01 C ATOM 1885 O ILE A 898 5.447 -2.169 48.848 1.00 22.96 O ATOM 1886 CB ILE A 898 5.904 1.014 48.188 1.00 26.06 C ATOM 1887 CG1 ILE A 898 6.337 2.246 48.989 1.00 28.33 C ATOM 1888 CG2 ILE A 898 4.430 0.703 48.426 1.00 27.43 C ATOM 1889 CD1 ILE A 898 5.607 3.522 48.603 1.00 30.42 C ATOM 0 H ILE A 898 8.263 0.657 47.589 1.00 24.58 H new ATOM 0 HA ILE A 898 6.843 -0.256 49.558 1.00 24.86 H new ATOM 0 HB ILE A 898 6.020 1.195 47.242 1.00 26.06 H new ATOM 0 HG12 ILE A 898 6.192 2.074 49.933 1.00 28.33 H new ATOM 0 HG13 ILE A 898 7.290 2.380 48.868 1.00 28.33 H new ATOM 0 HG21 ILE A 898 3.892 1.468 48.168 1.00 27.43 H new ATOM 0 HG22 ILE A 898 4.172 -0.067 47.896 1.00 27.43 H new ATOM 0 HG23 ILE A 898 4.287 0.510 49.366 1.00 27.43 H new ATOM 0 HD11 ILE A 898 5.930 4.257 49.147 1.00 30.42 H new ATOM 0 HD12 ILE A 898 5.770 3.718 47.667 1.00 30.42 H new ATOM 0 HD13 ILE A 898 4.655 3.407 48.748 1.00 30.42 H new ATOM 1890 N ILE A 899 6.363 -1.817 46.831 1.00 21.29 N ATOM 1891 CA ILE A 899 5.761 -3.013 46.267 1.00 21.27 C ATOM 1892 C ILE A 899 6.401 -4.301 46.782 1.00 21.84 C ATOM 1893 O ILE A 899 5.764 -5.353 46.789 1.00 21.85 O ATOM 1894 CB ILE A 899 5.778 -2.936 44.716 1.00 20.22 C ATOM 1895 CG1 ILE A 899 4.973 -1.702 44.280 1.00 20.17 C ATOM 1896 CG2 ILE A 899 5.185 -4.204 44.106 1.00 20.20 C ATOM 1897 CD1 ILE A 899 5.124 -1.307 42.813 1.00 19.75 C ATOM 0 H ILE A 899 6.858 -1.370 46.289 1.00 21.29 H new ATOM 0 HA ILE A 899 4.839 -3.045 46.566 1.00 21.27 H new ATOM 0 HB ILE A 899 6.693 -2.860 44.403 1.00 20.22 H new ATOM 0 HG12 ILE A 899 4.034 -1.867 44.460 1.00 20.17 H new ATOM 0 HG13 ILE A 899 5.239 -0.949 44.831 1.00 20.17 H new ATOM 0 HG21 ILE A 899 5.204 -4.137 43.138 1.00 20.20 H new ATOM 0 HG22 ILE A 899 5.706 -4.973 44.387 1.00 20.20 H new ATOM 0 HG23 ILE A 899 4.268 -4.309 44.404 1.00 20.20 H new ATOM 0 HD11 ILE A 899 4.583 -0.523 42.632 1.00 19.75 H new ATOM 0 HD12 ILE A 899 6.055 -1.108 42.625 1.00 19.75 H new ATOM 0 HD13 ILE A 899 4.831 -2.039 42.249 1.00 19.75 H new ATOM 1898 N SER A 900 7.643 -4.219 47.253 1.00 21.41 N ATOM 1899 CA SER A 900 8.304 -5.407 47.778 1.00 22.55 C ATOM 1900 C SER A 900 8.147 -5.525 49.297 1.00 22.60 C ATOM 1901 O SER A 900 8.337 -6.600 49.862 1.00 22.55 O ATOM 1902 CB SER A 900 9.796 -5.395 47.416 1.00 21.87 C ATOM 1903 OG SER A 900 10.460 -4.324 48.057 1.00 22.00 O ATOM 0 H SER A 900 8.112 -3.499 47.277 1.00 21.41 H new ATOM 0 HA SER A 900 7.876 -6.176 47.370 1.00 22.55 H new ATOM 0 HB2 SER A 900 10.203 -6.236 47.677 1.00 21.87 H new ATOM 0 HB3 SER A 900 9.899 -5.316 46.455 1.00 21.87 H new ATOM 0 HG SER A 900 10.399 -3.633 47.584 1.00 22.00 H new ATOM 1904 N VAL A 901 7.777 -4.431 49.958 1.00 24.23 N ATOM 1905 CA VAL A 901 7.639 -4.453 51.412 1.00 25.12 C ATOM 1906 C VAL A 901 6.217 -4.306 51.945 1.00 26.44 C ATOM 1907 O VAL A 901 5.795 -5.086 52.798 1.00 28.22 O ATOM 1908 CB VAL A 901 8.529 -3.366 52.058 1.00 25.27 C ATOM 1909 CG1 VAL A 901 8.357 -3.372 53.574 1.00 28.54 C ATOM 1910 CG2 VAL A 901 9.982 -3.617 51.697 1.00 25.99 C ATOM 0 H VAL A 901 7.603 -3.674 49.589 1.00 24.23 H new ATOM 0 HA VAL A 901 7.926 -5.345 51.662 1.00 25.12 H new ATOM 0 HB VAL A 901 8.261 -2.497 51.721 1.00 25.27 H new ATOM 0 HG11 VAL A 901 8.920 -2.686 53.966 1.00 28.54 H new ATOM 0 HG12 VAL A 901 7.430 -3.194 53.795 1.00 28.54 H new ATOM 0 HG13 VAL A 901 8.612 -4.239 53.925 1.00 28.54 H new ATOM 0 HG21 VAL A 901 10.539 -2.934 52.103 1.00 25.99 H new ATOM 0 HG22 VAL A 901 10.251 -4.490 52.024 1.00 25.99 H new ATOM 0 HG23 VAL A 901 10.086 -3.587 50.733 1.00 25.99 H new ATOM 1911 N GLN A 902 5.476 -3.316 51.463 1.00 25.48 N ATOM 1912 CA GLN A 902 4.114 -3.132 51.954 1.00 26.14 C ATOM 1913 C GLN A 902 3.051 -3.869 51.167 1.00 24.44 C ATOM 1914 O GLN A 902 2.172 -4.496 51.757 1.00 25.97 O ATOM 1915 CB GLN A 902 3.751 -1.646 52.022 1.00 28.06 C ATOM 1916 CG GLN A 902 4.252 -0.968 53.281 1.00 32.86 C ATOM 1917 CD GLN A 902 5.731 -0.686 53.233 1.00 33.12 C ATOM 1918 OE1 GLN A 902 6.389 -0.581 54.269 1.00 36.67 O ATOM 1919 NE2 GLN A 902 6.266 -0.543 52.028 1.00 34.65 N ATOM 0 H GLN A 902 5.733 -2.752 50.867 1.00 25.48 H new ATOM 0 HA GLN A 902 4.120 -3.523 52.842 1.00 26.14 H new ATOM 0 HB2 GLN A 902 4.121 -1.193 51.248 1.00 28.06 H new ATOM 0 HB3 GLN A 902 2.787 -1.552 51.972 1.00 28.06 H new ATOM 0 HG2 GLN A 902 3.771 -0.136 53.410 1.00 32.86 H new ATOM 0 HG3 GLN A 902 4.057 -1.530 54.047 1.00 32.86 H new ATOM 0 HE21 GLN A 902 5.774 -0.624 51.327 1.00 34.65 H new ATOM 0 HE22 GLN A 902 7.105 -0.370 51.948 1.00 34.65 H new ATOM 1920 N VAL A 903 3.124 -3.806 49.841 1.00 23.07 N ATOM 1921 CA VAL A 903 2.128 -4.480 49.019 1.00 22.76 C ATOM 1922 C VAL A 903 1.974 -5.962 49.364 1.00 23.33 C ATOM 1923 O VAL A 903 0.854 -6.484 49.374 1.00 21.26 O ATOM 1924 CB VAL A 903 2.429 -4.304 47.511 1.00 23.14 C ATOM 1925 CG1 VAL A 903 1.514 -5.205 46.682 1.00 23.26 C ATOM 1926 CG2 VAL A 903 2.194 -2.843 47.115 1.00 24.39 C ATOM 0 H VAL A 903 3.733 -3.385 49.404 1.00 23.07 H new ATOM 0 HA VAL A 903 1.281 -4.052 49.220 1.00 22.76 H new ATOM 0 HB VAL A 903 3.352 -4.548 47.342 1.00 23.14 H new ATOM 0 HG11 VAL A 903 1.711 -5.087 45.740 1.00 23.26 H new ATOM 0 HG12 VAL A 903 1.661 -6.131 46.929 1.00 23.26 H new ATOM 0 HG13 VAL A 903 0.588 -4.969 46.851 1.00 23.26 H new ATOM 0 HG21 VAL A 903 2.382 -2.729 46.170 1.00 24.39 H new ATOM 0 HG22 VAL A 903 1.271 -2.604 47.292 1.00 24.39 H new ATOM 0 HG23 VAL A 903 2.781 -2.269 47.632 1.00 24.39 H new ATOM 1927 N PRO A 904 3.088 -6.665 49.659 1.00 21.84 N ATOM 1928 CA PRO A 904 2.952 -8.086 49.998 1.00 21.60 C ATOM 1929 C PRO A 904 2.149 -8.306 51.287 1.00 21.62 C ATOM 1930 O PRO A 904 1.528 -9.352 51.464 1.00 23.04 O ATOM 1931 CB PRO A 904 4.407 -8.550 50.134 1.00 22.15 C ATOM 1932 CG PRO A 904 5.130 -7.669 49.163 1.00 20.90 C ATOM 1933 CD PRO A 904 4.508 -6.313 49.465 1.00 23.15 C ATOM 0 HA PRO A 904 2.456 -8.586 49.331 1.00 21.60 H new ATOM 0 HB2 PRO A 904 4.738 -8.436 51.039 1.00 22.15 H new ATOM 0 HB3 PRO A 904 4.507 -9.489 49.912 1.00 22.15 H new ATOM 0 HG2 PRO A 904 6.089 -7.672 49.311 1.00 20.90 H new ATOM 0 HG3 PRO A 904 4.984 -7.941 48.244 1.00 20.90 H new ATOM 0 HD2 PRO A 904 4.893 -5.905 50.257 1.00 23.15 H new ATOM 0 HD3 PRO A 904 4.631 -5.686 48.735 1.00 23.15 H new ATOM 1934 N LYS A 905 2.175 -7.326 52.188 1.00 21.48 N ATOM 1935 CA LYS A 905 1.434 -7.425 53.444 1.00 22.04 C ATOM 1936 C LYS A 905 -0.062 -7.412 53.129 1.00 22.92 C ATOM 1937 O LYS A 905 -0.869 -8.027 53.830 1.00 22.06 O ATOM 1938 CB LYS A 905 1.772 -6.250 54.369 1.00 24.11 C ATOM 1939 CG LYS A 905 3.185 -6.265 54.943 1.00 26.15 C ATOM 1940 CD LYS A 905 3.361 -5.139 55.956 1.00 29.63 C ATOM 1941 CE LYS A 905 4.717 -5.202 56.640 1.00 30.80 C ATOM 1942 NZ LYS A 905 5.824 -4.948 55.684 1.00 35.42 N ATOM 0 H LYS A 905 2.616 -6.594 52.091 1.00 21.48 H new ATOM 0 HA LYS A 905 1.679 -8.248 53.895 1.00 22.04 H new ATOM 0 HB2 LYS A 905 1.646 -5.423 53.878 1.00 24.11 H new ATOM 0 HB3 LYS A 905 1.139 -6.243 55.104 1.00 24.11 H new ATOM 0 HG2 LYS A 905 3.359 -7.120 55.368 1.00 26.15 H new ATOM 0 HG3 LYS A 905 3.832 -6.167 54.227 1.00 26.15 H new ATOM 0 HD2 LYS A 905 3.264 -4.284 55.509 1.00 29.63 H new ATOM 0 HD3 LYS A 905 2.659 -5.192 56.624 1.00 29.63 H new ATOM 0 HE2 LYS A 905 4.750 -4.548 57.355 1.00 30.80 H new ATOM 0 HE3 LYS A 905 4.834 -6.074 57.048 1.00 30.80 H new ATOM 0 HZ1 LYS A 905 6.387 -5.637 55.691 1.00 35.42 H new ATOM 0 HZ2 LYS A 905 5.492 -4.846 54.865 1.00 35.42 H new ATOM 0 HZ3 LYS A 905 6.258 -4.208 55.922 1.00 35.42 H new ATOM 1943 N ILE A 906 -0.418 -6.699 52.068 1.00 23.63 N ATOM 1944 CA ILE A 906 -1.808 -6.606 51.626 1.00 23.60 C ATOM 1945 C ILE A 906 -2.212 -7.912 50.942 1.00 24.46 C ATOM 1946 O ILE A 906 -3.248 -8.506 51.250 1.00 23.52 O ATOM 1947 CB ILE A 906 -1.984 -5.463 50.612 1.00 24.97 C ATOM 1948 CG1 ILE A 906 -1.651 -4.122 51.275 1.00 24.63 C ATOM 1949 CG2 ILE A 906 -3.411 -5.489 50.038 1.00 25.84 C ATOM 1950 CD1 ILE A 906 -1.736 -2.928 50.322 1.00 25.37 C ATOM 0 H ILE A 906 0.137 -6.255 51.583 1.00 23.63 H new ATOM 0 HA ILE A 906 -2.362 -6.437 52.404 1.00 23.60 H new ATOM 0 HB ILE A 906 -1.370 -5.582 49.871 1.00 24.97 H new ATOM 0 HG12 ILE A 906 -2.259 -3.977 52.017 1.00 24.63 H new ATOM 0 HG13 ILE A 906 -0.756 -4.167 51.646 1.00 24.63 H new ATOM 0 HG21 ILE A 906 -3.516 -4.766 49.399 1.00 25.84 H new ATOM 0 HG22 ILE A 906 -3.566 -6.337 49.594 1.00 25.84 H new ATOM 0 HG23 ILE A 906 -4.052 -5.380 50.758 1.00 25.84 H new ATOM 0 HD11 ILE A 906 -1.515 -2.114 50.802 1.00 25.37 H new ATOM 0 HD12 ILE A 906 -1.111 -3.052 49.591 1.00 25.37 H new ATOM 0 HD13 ILE A 906 -2.637 -2.860 49.968 1.00 25.37 H new ATOM 1951 N LEU A 907 -1.378 -8.361 50.012 1.00 23.12 N ATOM 1952 CA LEU A 907 -1.668 -9.584 49.282 1.00 23.51 C ATOM 1953 C LEU A 907 -1.713 -10.821 50.179 1.00 23.75 C ATOM 1954 O LEU A 907 -2.447 -11.769 49.889 1.00 24.16 O ATOM 1955 CB LEU A 907 -0.645 -9.770 48.157 1.00 23.61 C ATOM 1956 CG LEU A 907 -0.681 -8.661 47.094 1.00 25.34 C ATOM 1957 CD1 LEU A 907 0.411 -8.877 46.066 1.00 23.42 C ATOM 1958 CD2 LEU A 907 -2.056 -8.648 46.414 1.00 24.11 C ATOM 0 H LEU A 907 -0.643 -7.974 49.790 1.00 23.12 H new ATOM 0 HA LEU A 907 -2.557 -9.489 48.906 1.00 23.51 H new ATOM 0 HB2 LEU A 907 0.244 -9.807 48.543 1.00 23.61 H new ATOM 0 HB3 LEU A 907 -0.803 -10.624 47.726 1.00 23.61 H new ATOM 0 HG LEU A 907 -0.529 -7.805 47.524 1.00 25.34 H new ATOM 0 HD11 LEU A 907 0.376 -8.170 45.403 1.00 23.42 H new ATOM 0 HD12 LEU A 907 1.276 -8.865 46.505 1.00 23.42 H new ATOM 0 HD13 LEU A 907 0.282 -9.734 45.631 1.00 23.42 H new ATOM 0 HD21 LEU A 907 -2.079 -7.948 45.743 1.00 24.11 H new ATOM 0 HD22 LEU A 907 -2.216 -9.506 45.991 1.00 24.11 H new ATOM 0 HD23 LEU A 907 -2.744 -8.482 47.077 1.00 24.11 H new ATOM 1959 N SER A 908 -0.952 -10.809 51.274 1.00 23.28 N ATOM 1960 CA SER A 908 -0.941 -11.959 52.177 1.00 23.29 C ATOM 1961 C SER A 908 -2.039 -11.893 53.241 1.00 24.96 C ATOM 1962 O SER A 908 -2.093 -12.740 54.135 1.00 25.24 O ATOM 1963 CB SER A 908 0.428 -12.110 52.850 1.00 23.12 C ATOM 1964 OG SER A 908 0.667 -11.074 53.781 1.00 24.07 O ATOM 0 H SER A 908 -0.443 -10.157 51.509 1.00 23.28 H new ATOM 0 HA SER A 908 -1.120 -12.738 51.627 1.00 23.29 H new ATOM 0 HB2 SER A 908 0.475 -12.968 53.300 1.00 23.12 H new ATOM 0 HB3 SER A 908 1.124 -12.106 52.174 1.00 23.12 H new ATOM 0 HG SER A 908 0.947 -10.393 53.377 1.00 24.07 H new ATOM 1965 N GLY A 909 -2.899 -10.880 53.147 1.00 25.51 N ATOM 1966 CA GLY A 909 -4.002 -10.744 54.086 1.00 25.09 C ATOM 1967 C GLY A 909 -3.740 -10.083 55.427 1.00 24.67 C ATOM 1968 O GLY A 909 -4.628 -10.042 56.282 1.00 25.80 O ATOM 0 H GLY A 909 -2.859 -10.264 52.548 1.00 25.51 H new ATOM 0 HA2 GLY A 909 -4.705 -10.243 53.643 1.00 25.09 H new ATOM 0 HA3 GLY A 909 -4.352 -11.632 54.259 1.00 25.09 H new ATOM 1969 N LYS A 910 -2.535 -9.565 55.625 1.00 23.06 N ATOM 1970 CA LYS A 910 -2.189 -8.906 56.875 1.00 23.73 C ATOM 1971 C LYS A 910 -2.724 -7.475 56.926 1.00 23.95 C ATOM 1972 O LYS A 910 -2.919 -6.915 58.006 1.00 24.18 O ATOM 1973 CB LYS A 910 -0.667 -8.921 57.060 1.00 25.61 C ATOM 1974 CG LYS A 910 -0.110 -10.341 57.133 1.00 27.58 C ATOM 1975 CD LYS A 910 1.408 -10.400 56.938 1.00 31.61 C ATOM 1976 CE LYS A 910 2.164 -9.853 58.124 1.00 33.42 C ATOM 1977 NZ LYS A 910 3.629 -10.123 57.994 1.00 35.08 N ATOM 0 H LYS A 910 -1.901 -9.585 55.045 1.00 23.06 H new ATOM 0 HA LYS A 910 -2.606 -9.394 57.602 1.00 23.73 H new ATOM 0 HB2 LYS A 910 -0.248 -8.448 56.324 1.00 25.61 H new ATOM 0 HB3 LYS A 910 -0.437 -8.443 57.872 1.00 25.61 H new ATOM 0 HG2 LYS A 910 -0.336 -10.728 57.994 1.00 27.58 H new ATOM 0 HG3 LYS A 910 -0.539 -10.887 56.456 1.00 27.58 H new ATOM 0 HD2 LYS A 910 1.676 -11.319 56.783 1.00 31.61 H new ATOM 0 HD3 LYS A 910 1.649 -9.897 56.144 1.00 31.61 H new ATOM 0 HE2 LYS A 910 2.013 -8.898 58.196 1.00 33.42 H new ATOM 0 HE3 LYS A 910 1.828 -10.256 58.940 1.00 33.42 H new ATOM 0 HZ1 LYS A 910 4.056 -9.793 58.702 1.00 35.08 H new ATOM 0 HZ2 LYS A 910 3.766 -11.001 57.948 1.00 35.08 H new ATOM 0 HZ3 LYS A 910 3.938 -9.736 57.255 1.00 35.08 H new ATOM 1978 N VAL A 911 -2.951 -6.887 55.756 1.00 22.32 N ATOM 1979 CA VAL A 911 -3.481 -5.529 55.663 1.00 22.79 C ATOM 1980 C VAL A 911 -4.738 -5.660 54.813 1.00 21.83 C ATOM 1981 O VAL A 911 -4.698 -6.250 53.735 1.00 20.54 O ATOM 1982 CB VAL A 911 -2.478 -4.573 54.977 1.00 22.74 C ATOM 1983 CG1 VAL A 911 -3.083 -3.182 54.855 1.00 23.97 C ATOM 1984 CG2 VAL A 911 -1.178 -4.519 55.783 1.00 25.48 C ATOM 0 H VAL A 911 -2.803 -7.261 54.996 1.00 22.32 H new ATOM 0 HA VAL A 911 -3.655 -5.157 56.542 1.00 22.79 H new ATOM 0 HB VAL A 911 -2.281 -4.904 54.087 1.00 22.74 H new ATOM 0 HG11 VAL A 911 -2.448 -2.589 54.424 1.00 23.97 H new ATOM 0 HG12 VAL A 911 -3.894 -3.227 54.325 1.00 23.97 H new ATOM 0 HG13 VAL A 911 -3.294 -2.842 55.739 1.00 23.97 H new ATOM 0 HG21 VAL A 911 -0.552 -3.918 55.349 1.00 25.48 H new ATOM 0 HG22 VAL A 911 -1.366 -4.198 56.679 1.00 25.48 H new ATOM 0 HG23 VAL A 911 -0.791 -5.407 55.833 1.00 25.48 H new ATOM 1985 N LYS A 912 -5.850 -5.127 55.306 1.00 22.46 N ATOM 1986 CA LYS A 912 -7.111 -5.253 54.586 1.00 23.53 C ATOM 1987 C LYS A 912 -7.902 -3.962 54.437 1.00 23.91 C ATOM 1988 O LYS A 912 -7.850 -3.076 55.292 1.00 24.02 O ATOM 1989 CB LYS A 912 -8.004 -6.272 55.292 1.00 25.02 C ATOM 1990 CG LYS A 912 -7.336 -7.600 55.600 1.00 29.21 C ATOM 1991 CD LYS A 912 -8.288 -8.535 56.338 1.00 34.96 C ATOM 1992 CE LYS A 912 -9.485 -8.888 55.470 1.00 39.25 C ATOM 1993 NZ LYS A 912 -10.440 -9.811 56.148 1.00 45.39 N ATOM 0 H LYS A 912 -5.896 -4.693 56.047 1.00 22.46 H new ATOM 0 HA LYS A 912 -6.862 -5.532 53.691 1.00 23.53 H new ATOM 0 HB2 LYS A 912 -8.322 -5.884 56.122 1.00 25.02 H new ATOM 0 HB3 LYS A 912 -8.784 -6.437 54.739 1.00 25.02 H new ATOM 0 HG2 LYS A 912 -7.043 -8.017 54.775 1.00 29.21 H new ATOM 0 HG3 LYS A 912 -6.543 -7.450 56.139 1.00 29.21 H new ATOM 0 HD2 LYS A 912 -7.819 -9.345 56.593 1.00 34.96 H new ATOM 0 HD3 LYS A 912 -8.591 -8.113 57.157 1.00 34.96 H new ATOM 0 HE2 LYS A 912 -9.950 -8.074 55.222 1.00 39.25 H new ATOM 0 HE3 LYS A 912 -9.173 -9.299 54.648 1.00 39.25 H new ATOM 0 HZ1 LYS A 912 -11.121 -9.987 55.602 1.00 45.39 H new ATOM 0 HZ2 LYS A 912 -10.023 -10.569 56.356 1.00 45.39 H new ATOM 0 HZ3 LYS A 912 -10.747 -9.428 56.890 1.00 45.39 H new ATOM 1994 N PRO A 913 -8.656 -3.849 53.338 1.00 23.70 N ATOM 1995 CA PRO A 913 -9.471 -2.663 53.084 1.00 25.09 C ATOM 1996 C PRO A 913 -10.655 -2.663 54.039 1.00 25.51 C ATOM 1997 O PRO A 913 -11.069 -3.717 54.531 1.00 25.57 O ATOM 1998 CB PRO A 913 -9.934 -2.859 51.643 1.00 26.36 C ATOM 1999 CG PRO A 913 -8.865 -3.736 51.047 1.00 26.42 C ATOM 2000 CD PRO A 913 -8.616 -4.714 52.147 1.00 24.81 C ATOM 0 HA PRO A 913 -9.003 -1.823 53.211 1.00 25.09 H new ATOM 0 HB2 PRO A 913 -10.806 -3.281 51.602 1.00 26.36 H new ATOM 0 HB3 PRO A 913 -10.006 -2.014 51.173 1.00 26.36 H new ATOM 0 HG2 PRO A 913 -9.165 -4.172 50.234 1.00 26.42 H new ATOM 0 HG3 PRO A 913 -8.067 -3.233 50.821 1.00 26.42 H new ATOM 0 HD2 PRO A 913 -9.294 -5.407 52.178 1.00 24.81 H new ATOM 0 HD3 PRO A 913 -7.760 -5.160 52.050 1.00 24.81 H new ATOM 2001 N ILE A 914 -11.187 -1.478 54.302 1.00 25.25 N ATOM 2002 CA ILE A 914 -12.352 -1.344 55.158 1.00 26.83 C ATOM 2003 C ILE A 914 -13.522 -1.139 54.200 1.00 27.23 C ATOM 2004 O ILE A 914 -13.649 -0.084 53.580 1.00 26.97 O ATOM 2005 CB ILE A 914 -12.246 -0.118 56.091 1.00 27.21 C ATOM 2006 CG1 ILE A 914 -11.016 -0.256 56.996 1.00 28.61 C ATOM 2007 CG2 ILE A 914 -13.512 -0.008 56.935 1.00 28.45 C ATOM 2008 CD1 ILE A 914 -10.725 0.977 57.840 1.00 29.54 C ATOM 0 H ILE A 914 -10.885 -0.735 53.992 1.00 25.25 H new ATOM 0 HA ILE A 914 -12.449 -2.122 55.729 1.00 26.83 H new ATOM 0 HB ILE A 914 -12.151 0.686 55.557 1.00 27.21 H new ATOM 0 HG12 ILE A 914 -11.143 -1.017 57.585 1.00 28.61 H new ATOM 0 HG13 ILE A 914 -10.241 -0.450 56.445 1.00 28.61 H new ATOM 0 HG21 ILE A 914 -13.445 0.762 57.521 1.00 28.45 H new ATOM 0 HG22 ILE A 914 -14.281 0.095 56.353 1.00 28.45 H new ATOM 0 HG23 ILE A 914 -13.616 -0.811 57.469 1.00 28.45 H new ATOM 0 HD11 ILE A 914 -9.938 0.818 58.384 1.00 29.54 H new ATOM 0 HD12 ILE A 914 -10.568 1.738 57.259 1.00 29.54 H new ATOM 0 HD13 ILE A 914 -11.484 1.162 58.416 1.00 29.54 H new ATOM 2009 N TYR A 915 -14.356 -2.160 54.053 1.00 28.31 N ATOM 2010 CA TYR A 915 -15.503 -2.067 53.163 1.00 29.31 C ATOM 2011 C TYR A 915 -16.718 -1.538 53.913 1.00 29.49 C ATOM 2012 O TYR A 915 -16.875 -1.802 55.101 1.00 32.04 O ATOM 2013 CB TYR A 915 -15.855 -3.439 52.585 1.00 30.62 C ATOM 2014 CG TYR A 915 -14.882 -3.976 51.561 1.00 32.17 C ATOM 2015 CD1 TYR A 915 -13.772 -4.733 51.943 1.00 32.73 C ATOM 2016 CD2 TYR A 915 -15.079 -3.735 50.201 1.00 31.21 C ATOM 2017 CE1 TYR A 915 -12.889 -5.235 50.991 1.00 32.64 C ATOM 2018 CE2 TYR A 915 -14.205 -4.230 49.249 1.00 32.82 C ATOM 2019 CZ TYR A 915 -13.113 -4.978 49.647 1.00 33.32 C ATOM 2020 OH TYR A 915 -12.247 -5.462 48.694 1.00 36.83 O ATOM 0 H TYR A 915 -14.276 -2.914 54.459 1.00 28.31 H new ATOM 0 HA TYR A 915 -15.266 -1.460 52.444 1.00 29.31 H new ATOM 0 HB2 TYR A 915 -15.918 -4.075 53.315 1.00 30.62 H new ATOM 0 HB3 TYR A 915 -16.734 -3.387 52.178 1.00 30.62 H new ATOM 0 HD1 TYR A 915 -13.621 -4.904 52.845 1.00 32.73 H new ATOM 0 HD2 TYR A 915 -15.812 -3.232 49.929 1.00 31.21 H new ATOM 0 HE1 TYR A 915 -12.154 -5.739 51.255 1.00 32.64 H new ATOM 0 HE2 TYR A 915 -14.352 -4.060 48.346 1.00 32.82 H new ATOM 0 HH TYR A 915 -12.510 -5.229 47.931 1.00 36.83 H new ATOM 2021 N PHE A 916 -17.575 -0.789 53.230 1.00 27.15 N ATOM 2022 CA PHE A 916 -18.780 -0.276 53.874 1.00 26.71 C ATOM 2023 C PHE A 916 -19.859 -1.352 53.860 1.00 26.18 C ATOM 2024 O PHE A 916 -20.554 -1.552 54.852 1.00 25.78 O ATOM 2025 CB PHE A 916 -19.313 0.971 53.155 1.00 26.27 C ATOM 2026 CG PHE A 916 -18.590 2.233 53.511 1.00 27.90 C ATOM 2027 CD1 PHE A 916 -17.515 2.684 52.745 1.00 27.42 C ATOM 2028 CD2 PHE A 916 -18.973 2.967 54.630 1.00 27.12 C ATOM 2029 CE1 PHE A 916 -16.833 3.850 53.093 1.00 27.29 C ATOM 2030 CE2 PHE A 916 -18.298 4.133 54.986 1.00 27.02 C ATOM 2031 CZ PHE A 916 -17.227 4.575 54.217 1.00 27.80 C ATOM 0 H PHE A 916 -17.481 -0.568 52.404 1.00 27.15 H new ATOM 0 HA PHE A 916 -18.552 -0.033 54.785 1.00 26.71 H new ATOM 0 HB2 PHE A 916 -19.251 0.832 52.197 1.00 26.27 H new ATOM 0 HB3 PHE A 916 -20.254 1.077 53.366 1.00 26.27 H new ATOM 0 HD1 PHE A 916 -17.250 2.202 51.995 1.00 27.42 H new ATOM 0 HD2 PHE A 916 -19.689 2.675 55.147 1.00 27.12 H new ATOM 0 HE1 PHE A 916 -16.117 4.143 52.577 1.00 27.29 H new ATOM 0 HE2 PHE A 916 -18.563 4.614 55.736 1.00 27.02 H new ATOM 0 HZ PHE A 916 -16.774 5.353 54.452 1.00 27.80 H new ATOM 2032 N HIS A 917 -19.976 -2.052 52.734 1.00 27.08 N ATOM 2033 CA HIS A 917 -20.990 -3.093 52.553 1.00 30.02 C ATOM 2034 C HIS A 917 -20.441 -4.516 52.663 1.00 33.83 C ATOM 2035 O HIS A 917 -19.290 -4.714 53.053 1.00 36.79 O ATOM 2036 CB HIS A 917 -21.666 -2.894 51.192 1.00 28.98 C ATOM 2037 CG HIS A 917 -22.256 -1.531 51.013 1.00 28.19 C ATOM 2038 ND1 HIS A 917 -23.504 -1.191 51.489 1.00 27.11 N ATOM 2039 CD2 HIS A 917 -21.738 -0.402 50.475 1.00 26.58 C ATOM 2040 CE1 HIS A 917 -23.728 0.089 51.256 1.00 26.98 C ATOM 2041 NE2 HIS A 917 -22.671 0.592 50.643 1.00 26.42 N ATOM 0 H HIS A 917 -19.468 -1.937 52.050 1.00 27.08 H new ATOM 0 HA HIS A 917 -21.628 -2.999 53.277 1.00 30.02 H new ATOM 0 HB2 HIS A 917 -21.016 -3.052 50.490 1.00 28.98 H new ATOM 0 HB3 HIS A 917 -22.365 -3.558 51.086 1.00 28.98 H new ATOM 0 HD1 HIS A 917 -24.051 -1.729 51.877 1.00 27.11 H new ATOM 0 HD2 HIS A 917 -20.906 -0.316 50.068 1.00 26.58 H new ATOM 0 HE1 HIS A 917 -24.499 0.557 51.484 1.00 26.98 H new ATOM 2042 N THR A 918 -21.277 -5.498 52.328 1.00 35.28 N ATOM 2043 CA THR A 918 -20.906 -6.915 52.382 1.00 40.82 C ATOM 2044 C THR A 918 -20.523 -7.327 53.812 1.00 41.22 C ATOM 2045 O THR A 918 -19.743 -8.282 53.996 1.00 42.78 O ATOM 2046 CB THR A 918 -19.740 -7.209 51.373 1.00 42.85 C ATOM 2047 OG1 THR A 918 -20.245 -7.111 50.036 1.00 45.45 O ATOM 2048 CG2 THR A 918 -19.152 -8.602 51.564 1.00 44.24 C ATOM 0 H THR A 918 -22.083 -5.361 52.061 1.00 35.28 H new ATOM 0 HA THR A 918 -21.674 -7.447 52.121 1.00 40.82 H new ATOM 0 HB THR A 918 -19.039 -6.559 51.536 1.00 42.85 H new ATOM 0 HG1 THR A 918 -19.626 -7.266 49.490 1.00 45.45 H new ATOM 0 HG21 THR A 918 -18.437 -8.742 50.923 1.00 44.24 H new ATOM 0 HG22 THR A 918 -18.800 -8.684 52.464 1.00 44.24 H new ATOM 0 HG23 THR A 918 -19.844 -9.267 51.426 1.00 44.24 H new TER 2049 THR A 918 ATOM 2050 N SER B 99 14.963 5.503 54.052 1.00 42.11 N ATOM 2051 CA SER B 99 14.705 5.326 52.598 1.00 40.44 C ATOM 2052 C SER B 99 14.242 6.634 51.967 1.00 39.41 C ATOM 2053 O SER B 99 13.965 7.614 52.662 1.00 40.25 O ATOM 2054 CB SER B 99 13.637 4.252 52.375 1.00 40.51 C ATOM 2055 OG SER B 99 12.373 4.680 52.853 1.00 41.49 O ATOM 0 HA SER B 99 15.535 5.050 52.179 1.00 40.44 H new ATOM 0 HB2 SER B 99 13.575 4.045 51.429 1.00 40.51 H new ATOM 0 HB3 SER B 99 13.897 3.435 52.828 1.00 40.51 H new ATOM 0 HG SER B 99 11.773 4.178 52.547 1.00 41.49 H new ATOM 2056 N LYS B 100 14.160 6.630 50.641 1.00 38.21 N ATOM 2057 CA LYS B 100 13.740 7.792 49.867 1.00 36.51 C ATOM 2058 C LYS B 100 12.322 8.242 50.235 1.00 34.18 C ATOM 2059 O LYS B 100 12.044 9.439 50.306 1.00 33.65 O ATOM 2060 CB LYS B 100 13.808 7.461 48.373 1.00 37.85 C ATOM 2061 CG LYS B 100 13.584 8.640 47.434 1.00 40.64 C ATOM 2062 CD LYS B 100 13.595 8.178 45.973 1.00 42.28 C ATOM 2063 CE LYS B 100 13.334 9.323 45.000 1.00 44.01 C ATOM 2064 NZ LYS B 100 13.132 8.830 43.596 1.00 44.56 N ATOM 0 H LYS B 100 14.349 5.943 50.159 1.00 38.21 H new ATOM 0 HA LYS B 100 14.343 8.523 50.075 1.00 36.51 H new ATOM 0 HB2 LYS B 100 14.677 7.075 48.182 1.00 37.85 H new ATOM 0 HB3 LYS B 100 13.145 6.780 48.177 1.00 37.85 H new ATOM 0 HG2 LYS B 100 12.736 9.065 47.637 1.00 40.64 H new ATOM 0 HG3 LYS B 100 14.275 9.306 47.573 1.00 40.64 H new ATOM 0 HD2 LYS B 100 14.453 7.774 45.771 1.00 42.28 H new ATOM 0 HD3 LYS B 100 12.922 7.491 45.848 1.00 42.28 H new ATOM 0 HE2 LYS B 100 12.549 9.817 45.285 1.00 44.01 H new ATOM 0 HE3 LYS B 100 14.081 9.941 45.021 1.00 44.01 H new ATOM 0 HZ1 LYS B 100 12.897 9.511 43.073 1.00 44.56 H new ATOM 0 HZ2 LYS B 100 13.889 8.473 43.295 1.00 44.56 H new ATOM 0 HZ3 LYS B 100 12.490 8.214 43.587 1.00 44.56 H new ATOM 2065 N PHE B 101 11.427 7.283 50.455 1.00 32.58 N ATOM 2066 CA PHE B 101 10.037 7.596 50.807 1.00 30.42 C ATOM 2067 C PHE B 101 9.987 8.234 52.198 1.00 31.44 C ATOM 2068 O PHE B 101 9.395 9.298 52.393 1.00 29.41 O ATOM 2069 CB PHE B 101 9.197 6.316 50.781 1.00 29.85 C ATOM 2070 CG PHE B 101 7.751 6.522 51.146 1.00 27.12 C ATOM 2071 CD1 PHE B 101 6.874 7.133 50.258 1.00 25.86 C ATOM 2072 CD2 PHE B 101 7.265 6.085 52.374 1.00 27.33 C ATOM 2073 CE1 PHE B 101 5.524 7.303 50.588 1.00 23.77 C ATOM 2074 CE2 PHE B 101 5.921 6.249 52.716 1.00 26.44 C ATOM 2075 CZ PHE B 101 5.050 6.860 51.817 1.00 24.92 C ATOM 0 H PHE B 101 11.601 6.442 50.406 1.00 32.58 H new ATOM 0 HA PHE B 101 9.675 8.223 50.161 1.00 30.42 H new ATOM 0 HB2 PHE B 101 9.244 5.928 49.893 1.00 29.85 H new ATOM 0 HB3 PHE B 101 9.587 5.672 51.393 1.00 29.85 H new ATOM 0 HD1 PHE B 101 7.187 7.432 49.435 1.00 25.86 H new ATOM 0 HD2 PHE B 101 7.844 5.677 52.977 1.00 27.33 H new ATOM 0 HE1 PHE B 101 4.945 7.712 49.986 1.00 23.77 H new ATOM 0 HE2 PHE B 101 5.609 5.952 53.540 1.00 26.44 H new ATOM 0 HZ PHE B 101 4.154 6.971 52.039 1.00 24.92 H new ATOM 2076 N ALA B 102 10.630 7.579 53.158 1.00 32.66 N ATOM 2077 CA ALA B 102 10.677 8.070 54.529 1.00 34.59 C ATOM 2078 C ALA B 102 11.270 9.480 54.602 1.00 35.65 C ATOM 2079 O ALA B 102 10.899 10.276 55.470 1.00 35.58 O ATOM 2080 CB ALA B 102 11.492 7.110 55.395 1.00 34.94 C ATOM 0 H ALA B 102 11.050 6.839 53.033 1.00 32.66 H new ATOM 0 HA ALA B 102 9.768 8.115 54.863 1.00 34.59 H new ATOM 0 HB1 ALA B 102 11.521 7.441 56.306 1.00 34.94 H new ATOM 0 HB2 ALA B 102 11.079 6.233 55.383 1.00 34.94 H new ATOM 0 HB3 ALA B 102 12.395 7.046 55.046 1.00 34.94 H new ATOM 2081 N ALA B 103 12.182 9.792 53.684 1.00 36.35 N ATOM 2082 CA ALA B 103 12.823 11.103 53.666 1.00 36.41 C ATOM 2083 C ALA B 103 11.832 12.236 53.425 1.00 37.23 C ATOM 2084 O ALA B 103 12.123 13.402 53.707 1.00 36.85 O ATOM 2085 CB ALA B 103 13.927 11.138 52.604 1.00 37.08 C ATOM 0 H ALA B 103 12.443 9.258 53.063 1.00 36.35 H new ATOM 0 HA ALA B 103 13.209 11.242 54.545 1.00 36.41 H new ATOM 0 HB1 ALA B 103 14.346 12.013 52.601 1.00 37.08 H new ATOM 0 HB2 ALA B 103 14.593 10.462 52.807 1.00 37.08 H new ATOM 0 HB3 ALA B 103 13.542 10.961 51.731 1.00 37.08 H new ATOM 2086 N LEU B 104 10.659 11.896 52.904 1.00 36.48 N ATOM 2087 CA LEU B 104 9.635 12.897 52.639 1.00 36.83 C ATOM 2088 C LEU B 104 9.088 13.490 53.934 1.00 37.35 C ATOM 2089 O LEU B 104 8.346 14.471 53.907 1.00 38.27 O ATOM 2090 CB LEU B 104 8.492 12.284 51.821 1.00 36.21 C ATOM 2091 CG LEU B 104 8.862 11.860 50.396 1.00 35.70 C ATOM 2092 CD1 LEU B 104 7.672 11.189 49.727 1.00 36.29 C ATOM 2093 CD2 LEU B 104 9.300 13.079 49.597 1.00 36.74 C ATOM 0 H LEU B 104 10.437 11.091 52.697 1.00 36.48 H new ATOM 0 HA LEU B 104 10.046 13.613 52.129 1.00 36.83 H new ATOM 0 HB2 LEU B 104 8.154 11.509 52.296 1.00 36.21 H new ATOM 0 HB3 LEU B 104 7.767 12.927 51.774 1.00 36.21 H new ATOM 0 HG LEU B 104 9.595 11.226 50.431 1.00 35.70 H new ATOM 0 HD11 LEU B 104 7.914 10.924 48.826 1.00 36.29 H new ATOM 0 HD12 LEU B 104 7.414 10.405 50.236 1.00 36.29 H new ATOM 0 HD13 LEU B 104 6.928 11.810 49.692 1.00 36.29 H new ATOM 0 HD21 LEU B 104 9.534 12.808 48.695 1.00 36.74 H new ATOM 0 HD22 LEU B 104 8.574 13.722 49.563 1.00 36.74 H new ATOM 0 HD23 LEU B 104 10.071 13.485 50.022 1.00 36.74 H new ATOM 2094 N TRP B 105 9.468 12.894 55.062 1.00 37.78 N ATOM 2095 CA TRP B 105 9.034 13.351 56.380 1.00 39.49 C ATOM 2096 C TRP B 105 10.141 14.081 57.147 1.00 43.76 C ATOM 2097 O TRP B 105 9.875 14.745 58.152 1.00 44.56 O ATOM 2098 CB TRP B 105 8.539 12.161 57.211 1.00 35.61 C ATOM 2099 CG TRP B 105 7.085 11.837 56.996 1.00 31.45 C ATOM 2100 CD1 TRP B 105 6.025 12.265 57.750 1.00 31.25 C ATOM 2101 CD2 TRP B 105 6.529 11.055 55.932 1.00 29.10 C ATOM 2102 NE1 TRP B 105 4.842 11.799 57.218 1.00 28.90 N ATOM 2103 CE2 TRP B 105 5.123 11.054 56.102 1.00 28.96 C ATOM 2104 CE3 TRP B 105 7.080 10.357 54.848 1.00 26.42 C ATOM 2105 CZ2 TRP B 105 4.262 10.379 55.228 1.00 26.64 C ATOM 2106 CZ3 TRP B 105 6.222 9.687 53.977 1.00 26.23 C ATOM 2107 CH2 TRP B 105 4.826 9.704 54.176 1.00 25.84 C ATOM 0 H TRP B 105 9.988 12.209 55.084 1.00 37.78 H new ATOM 0 HA TRP B 105 8.313 13.984 56.235 1.00 39.49 H new ATOM 0 HB2 TRP B 105 9.072 11.380 56.993 1.00 35.61 H new ATOM 0 HB3 TRP B 105 8.685 12.350 58.151 1.00 35.61 H new ATOM 0 HD1 TRP B 105 6.094 12.794 58.512 1.00 31.25 H new ATOM 0 HE1 TRP B 105 4.057 11.951 57.534 1.00 28.90 H new ATOM 0 HE3 TRP B 105 8.000 10.341 54.713 1.00 26.42 H new ATOM 0 HZ2 TRP B 105 3.341 10.388 55.356 1.00 26.64 H new ATOM 0 HZ3 TRP B 105 6.576 9.222 53.254 1.00 26.23 H new ATOM 0 HH2 TRP B 105 4.276 9.248 53.581 1.00 25.84 H new ATOM 2108 N ASP B 106 11.380 13.956 56.682 1.00 46.47 N ATOM 2109 CA ASP B 106 12.492 14.615 57.358 1.00 50.91 C ATOM 2110 C ASP B 106 12.343 16.131 57.328 1.00 51.87 C ATOM 2111 O ASP B 106 11.742 16.648 56.361 1.00 53.10 O ATOM 2112 CB ASP B 106 13.821 14.228 56.710 1.00 52.35 C ATOM 2113 CG ASP B 106 14.088 12.741 56.774 1.00 54.13 C ATOM 2114 OD1 ASP B 106 13.920 12.147 57.858 1.00 56.05 O ATOM 2115 OD2 ASP B 106 14.476 12.162 55.741 1.00 56.26 O ATOM 0 H ASP B 106 11.597 13.500 55.986 1.00 46.47 H new ATOM 0 HA ASP B 106 12.482 14.320 58.282 1.00 50.91 H new ATOM 0 HB2 ASP B 106 13.820 14.513 55.783 1.00 52.35 H new ATOM 0 HB3 ASP B 106 14.543 14.702 57.152 1.00 52.35 H new TER 2116 ASP B 106 HETATM 2117 C1 DHT A 200 -0.067 5.487 38.154 1.00 19.26 C HETATM 2118 C2 DHT A 200 -0.855 6.736 38.577 1.00 19.55 C HETATM 2119 C3 DHT A 200 -2.287 6.576 37.983 1.00 20.05 C HETATM 2120 O3 DHT A 200 -2.755 7.504 37.334 1.00 20.69 O HETATM 2121 C4 DHT A 200 -3.002 5.277 38.221 1.00 18.99 C HETATM 2122 C5 DHT A 200 -2.155 4.063 37.741 1.00 18.63 C HETATM 2123 C6 DHT A 200 -2.866 2.691 37.984 1.00 17.17 C HETATM 2124 C7 DHT A 200 -1.984 1.544 37.460 1.00 16.62 C HETATM 2125 C8 DHT A 200 -0.564 1.520 38.145 1.00 18.64 C HETATM 2126 C9 DHT A 200 0.135 2.906 37.921 1.00 18.98 C HETATM 2127 C10 DHT A 200 -0.719 4.115 38.465 1.00 18.34 C HETATM 2128 C11 DHT A 200 1.565 2.850 38.577 1.00 18.73 C HETATM 2129 C12 DHT A 200 2.466 1.705 38.133 1.00 17.41 C HETATM 2130 C13 DHT A 200 1.770 0.327 38.226 1.00 19.43 C HETATM 2131 C14 DHT A 200 0.343 0.411 37.570 1.00 19.82 C HETATM 2132 C15 DHT A 200 -0.142 -1.046 37.690 1.00 21.37 C HETATM 2133 C16 DHT A 200 1.128 -1.839 37.261 1.00 20.06 C HETATM 2134 C17 DHT A 200 2.299 -0.817 37.379 1.00 20.63 C HETATM 2135 O17 DHT A 200 3.451 -1.471 37.948 1.00 22.01 O HETATM 2136 C18 DHT A 200 1.681 -0.088 39.749 1.00 19.45 C HETATM 2137 C19 DHT A 200 -0.887 3.951 40.035 1.00 18.18 C HETATM 0 H193 DHT A 200 -0.017 3.998 40.460 1.00 18.18 H new HETATM 0 H192 DHT A 200 -1.452 4.662 40.376 1.00 18.18 H new HETATM 0 H191 DHT A 200 -1.295 3.093 40.229 1.00 18.18 H new HETATM 0 H183 DHT A 200 2.575 -0.143 40.122 1.00 19.45 H new HETATM 0 H182 DHT A 200 1.168 0.576 40.236 1.00 19.45 H new HETATM 0 H181 DHT A 200 1.246 -0.952 39.824 1.00 19.45 H new HETATM 0 H162 DHT A 200 1.273 -2.607 37.835 1.00 20.06 H new HETATM 0 H161 DHT A 200 1.044 -2.174 36.355 1.00 20.06 H new HETATM 0 H152 DHT A 200 -0.420 -1.264 38.593 1.00 21.37 H new HETATM 0 H151 DHT A 200 -0.898 -1.227 37.110 1.00 21.37 H new HETATM 0 H122 DHT A 200 2.751 1.858 37.218 1.00 17.41 H new HETATM 0 H121 DHT A 200 3.266 1.697 38.681 1.00 17.41 H new HETATM 0 H112 DHT A 200 2.020 3.686 38.388 1.00 18.73 H new HETATM 0 H111 DHT A 200 1.457 2.797 39.539 1.00 18.73 H new HETATM 0 HO7 DHT A 200 4.126 -0.980 37.856 1.00 22.01 H new HETATM 0 H9 DHT A 200 0.218 3.067 36.968 1.00 18.98 H new HETATM 0 H8 DHT A 200 -0.696 1.341 39.089 1.00 18.64 H new HETATM 0 H72 DHT A 200 -2.431 0.698 37.617 1.00 16.62 H new HETATM 0 H71 DHT A 200 -1.876 1.634 36.500 1.00 16.62 H new HETATM 0 H62 DHT A 200 -3.038 2.570 38.931 1.00 17.17 H new HETATM 0 H61 DHT A 200 -3.726 2.679 37.535 1.00 17.17 H new HETATM 0 H5 DHT A 200 -2.043 4.131 36.780 1.00 18.63 H new HETATM 0 H42 DHT A 200 -3.198 5.183 39.166 1.00 18.99 H new HETATM 0 H41 DHT A 200 -3.852 5.284 37.754 1.00 18.99 H new HETATM 0 H22 DHT A 200 -0.888 6.813 39.543 1.00 19.55 H new HETATM 0 H21 DHT A 200 -0.431 7.542 38.243 1.00 19.55 H new HETATM 0 H17 DHT A 200 2.593 -0.469 36.522 1.00 20.63 H new HETATM 0 H14 DHT A 200 0.338 0.710 36.647 1.00 19.82 H new HETATM 0 H12 DHT A 200 0.091 5.538 37.198 1.00 19.26 H new HETATM 0 H11 DHT A 200 0.801 5.515 38.587 1.00 19.26 H new HETATM 2138 O HOH A 1 -3.680 9.454 39.862 1.00 19.53 O HETATM 2139 O HOH A 2 -7.883 17.325 47.696 1.00 19.37 O HETATM 2140 O HOH A 3 -0.884 12.220 36.092 1.00 18.46 O HETATM 2141 O HOH A 4 -9.235 14.865 48.139 1.00 22.74 O HETATM 2142 O HOH A 5 -5.287 19.737 60.916 1.00 27.37 O HETATM 2143 O HOH A 6 -4.551 0.863 47.671 1.00 19.56 O HETATM 2144 O HOH A 7 -21.356 20.957 44.846 1.00 27.05 O HETATM 2145 O HOH A 8 5.175 16.235 36.002 1.00 29.82 O HETATM 2146 O HOH A 9 6.111 12.874 27.627 1.00 26.72 O HETATM 2147 O HOH A 10 -5.990 -7.603 51.908 1.00 29.74 O HETATM 2148 O HOH A 11 -0.400 9.293 25.475 1.00 25.85 O HETATM 2149 O HOH A 12 -10.003 3.012 22.903 1.00 32.35 O HETATM 2150 O HOH A 13 9.055 4.058 28.793 1.00 26.70 O HETATM 2151 O HOH A 14 -10.103 26.431 48.148 1.00 23.54 O HETATM 2152 O HOH A 15 -20.410 8.245 32.235 1.00 27.95 O HETATM 2153 O HOH A 16 -16.473 22.420 54.171 1.00 37.56 O HETATM 2154 O HOH A 17 -7.760 -6.492 63.648 1.00 31.79 O HETATM 2155 O HOH A 18 -17.753 18.758 54.365 1.00 34.74 O HETATM 2156 O HOH A 19 -7.881 -3.068 47.799 1.00 27.64 O HETATM 2157 O HOH A 20 -14.179 0.493 50.943 1.00 28.12 O HETATM 2158 O HOH A 21 -12.908 2.170 49.584 1.00 27.61 O HETATM 2159 O HOH A 22 -0.787 19.364 46.705 1.00 29.27 O HETATM 2160 O HOH A 23 -5.670 -4.460 47.879 1.00 26.83 O HETATM 2161 O HOH A 24 -16.568 0.934 39.749 1.00 31.80 O HETATM 2162 O HOH A 25 -14.210 -4.330 55.852 1.00 29.90 O HETATM 2163 O HOH A 26 -21.532 18.297 46.178 1.00 33.78 O HETATM 2164 O HOH A 27 -4.919 12.694 46.040 1.00 26.51 O HETATM 2165 O HOH A 28 -15.472 -0.827 38.018 1.00 31.03 O HETATM 2166 O HOH A 29 8.003 -4.979 25.540 1.00 30.29 O HETATM 2167 O HOH A 30 -2.162 17.877 57.973 1.00 31.46 O HETATM 2168 O HOH A 31 -2.201 14.495 36.539 1.00 29.89 O HETATM 2169 O HOH A 32 8.847 6.061 26.679 1.00 26.72 O HETATM 2170 O HOH A 33 -17.927 -5.901 55.691 1.00 41.27 O HETATM 2171 O HOH A 34 -26.034 13.475 54.672 1.00 29.23 O HETATM 2172 O HOH A 35 8.282 14.872 31.964 1.00 40.26 O HETATM 2173 O HOH A 36 -7.155 0.927 48.126 1.00 31.13 O HETATM 2174 O HOH A 37 -19.392 -1.747 45.573 1.00 28.57 O HETATM 2175 O HOH A 38 -2.471 14.803 39.418 1.00 31.53 O HETATM 2176 O HOH A 39 12.308 7.378 23.762 1.00 31.93 O HETATM 2177 O HOH A 40 -13.697 4.151 51.563 1.00 32.32 O HETATM 2178 O HOH A 41 -2.785 22.127 55.137 1.00 24.58 O HETATM 2179 O HOH A 42 -16.099 23.031 56.823 1.00 37.51 O HETATM 2180 O HOH A 43 -20.025 14.013 37.494 1.00 32.59 O HETATM 2181 O HOH A 44 7.966 4.797 24.382 1.00 24.76 O HETATM 2182 O HOH A 45 -2.760 -14.358 49.882 1.00 26.13 O HETATM 2183 O HOH A 46 -17.199 14.558 31.164 1.00 34.25 O HETATM 2184 O HOH A 47 -1.459 -6.920 60.426 1.00 29.77 O HETATM 2185 O HOH A 48 -4.654 -8.137 29.703 1.00 36.44 O HETATM 2186 O HOH A 49 1.899 -6.916 25.304 1.00 33.34 O HETATM 2187 O HOH A 50 10.672 10.182 27.028 1.00 26.55 O HETATM 2188 O HOH A 51 -13.867 2.680 53.899 1.00 38.49 O HETATM 2189 O HOH A 52 -5.771 3.601 55.088 1.00 34.77 O HETATM 2190 O HOH A 53 -14.385 22.410 45.048 1.00 37.27 O HETATM 2191 O HOH A 54 -5.865 14.453 39.036 1.00 39.81 O HETATM 2192 O HOH A 55 5.448 3.067 59.230 1.00 32.43 O HETATM 2193 O HOH A 56 -30.418 13.609 37.047 1.00 34.10 O HETATM 2194 O HOH A 57 -2.133 7.204 64.333 1.00 37.84 O HETATM 2195 O HOH A 58 -8.049 2.466 50.600 1.00 35.20 O HETATM 2196 O HOH A 59 2.349 1.527 18.341 1.00 43.22 O HETATM 2197 O HOH A 60 9.228 11.169 42.065 1.00 35.75 O HETATM 2198 O HOH A 61 -22.673 3.086 43.169 1.00 36.78 O HETATM 2199 O HOH A 62 -25.289 10.897 54.459 1.00 31.13 O HETATM 2200 O HOH A 63 10.279 3.388 35.279 1.00 36.68 O HETATM 2201 O HOH A 64 -1.412 0.850 47.597 1.00 29.37 O HETATM 2202 O HOH A 65 6.508 14.402 41.508 1.00 34.86 O HETATM 2203 O HOH A 66 -11.621 3.718 68.161 1.00 35.27 O HETATM 2204 O HOH A 67 -6.557 -8.929 31.223 1.00 37.05 O HETATM 2205 O HOH A 68 14.317 5.737 41.163 1.00 38.74 O HETATM 2206 O HOH A 69 2.351 -9.018 36.079 1.00 32.09 O HETATM 2207 O HOH A 70 -3.114 -13.520 56.833 1.00 38.80 O HETATM 2208 O HOH A 71 -24.929 15.144 44.712 1.00 37.42 O HETATM 2209 O HOH A 72 1.889 1.649 61.578 1.00 32.70 O HETATM 2210 O HOH A 73 -9.834 -8.071 43.466 1.00 39.39 O HETATM 2211 O HOH A 74 -6.567 -2.389 62.438 1.00 43.71 O HETATM 2212 O HOH A 75 13.885 -1.779 37.909 1.00 34.43 O HETATM 2213 O HOH A 76 -1.067 11.782 24.969 1.00 34.52 O HETATM 2214 O HOH A 77 -24.357 3.543 38.303 1.00 45.65 O HETATM 2215 O HOH A 78 -0.934 21.882 37.292 1.00 45.50 O HETATM 2216 O HOH A 80 -18.176 9.001 30.965 1.00 39.63 O HETATM 2217 O HOH A 81 6.061 -12.940 38.903 1.00 29.33 O HETATM 2218 O HOH A 82 -25.115 14.729 42.045 1.00 28.96 O HETATM 2219 O HOH A 83 1.180 -12.135 45.518 1.00 34.52 O HETATM 2220 O HOH A 84 -14.700 -2.919 41.014 1.00 37.18 O HETATM 2221 O HOH A 85 -16.007 4.738 27.474 1.00 39.60 O HETATM 2222 O HOH A 86 -4.161 -9.076 38.605 1.00 32.89 O HETATM 2223 O HOH A 87 10.740 10.801 39.682 1.00 34.65 O HETATM 2224 O HOH A 88 9.322 3.524 49.135 1.00 35.98 O HETATM 2225 O HOH A 89 -1.354 3.798 20.488 1.00 41.34 O HETATM 2226 O HOH A 90 -7.067 -6.670 49.309 1.00 34.66 O HETATM 2227 O HOH A 91 3.582 -10.206 32.038 1.00 53.69 O HETATM 2228 O HOH A 92 -19.815 -2.870 48.115 1.00 33.76 O HETATM 2229 O HOH A 93 -4.106 15.944 34.470 1.00 42.35 O HETATM 2230 O HOH A 94 -3.754 13.187 40.981 1.00 38.13 O HETATM 2231 O HOH A 95 -2.645 11.005 42.378 1.00 32.64 O HETATM 2232 O HOH A 96 5.185 0.854 57.330 1.00 38.49 O HETATM 2233 O HOH A 97 4.604 12.811 25.141 1.00 34.49 O HETATM 2234 O HOH A 98 6.936 15.001 29.316 1.00 35.56 O HETATM 2235 O HOH A 99 -27.415 12.987 41.996 1.00 42.02 O HETATM 2236 O HOH A 100 9.036 -6.820 27.601 1.00 38.13 O HETATM 2237 O HOH A 101 -6.764 3.832 48.785 1.00 38.22 O HETATM 2238 O HOH A 102 13.248 10.442 27.496 1.00 40.20 O HETATM 2239 O HOH A 103 4.390 4.872 22.741 1.00 27.57 O HETATM 2240 O HOH A 104 6.054 2.744 23.949 1.00 42.20 O HETATM 2241 O HOH A 105 5.595 -5.303 23.559 1.00 37.93 O HETATM 2242 O HOH A 106 11.271 2.734 28.067 1.00 41.26 O HETATM 2243 O HOH A 107 8.334 7.778 31.642 1.00 31.03 O HETATM 2244 O HOH A 108 11.933 5.452 35.841 1.00 45.76 O HETATM 2245 O HOH A 109 -4.521 10.605 44.363 1.00 33.31 O HETATM 2246 O HOH A 110 3.502 14.859 62.026 1.00 42.90 O HETATM 2247 O HOH A 111 -8.551 15.824 38.324 1.00 40.82 O HETATM 2248 O HOH A 112 -11.984 -6.057 55.402 1.00 42.35 O HETATM 2249 O HOH A 113 4.843 16.483 29.224 1.00 34.98 O HETATM 2250 O HOH A 114 -4.028 5.735 18.275 1.00 43.57 O HETATM 2251 O HOH A 115 -25.822 16.634 39.381 1.00 36.02 O HETATM 2252 O HOH A 116 -7.725 -9.625 52.162 1.00 44.40 O HETATM 2253 O HOH A 117 -10.646 -8.157 45.975 1.00 43.13 O HETATM 2254 O HOH A 118 14.238 3.809 49.220 1.00 39.11 O HETATM 2255 O HOH A 119 11.561 7.263 26.797 1.00 41.02 O HETATM 2256 O HOH A 120 -6.007 23.658 43.559 1.00 49.37 O HETATM 2257 O HOH A 121 -12.144 -8.487 41.765 1.00 46.51 O HETATM 2258 O HOH A 122 0.549 20.332 42.392 1.00 52.15 O HETATM 2259 O HOH A 123 -11.081 18.259 40.362 1.00 50.37 O HETATM 2260 O HOH A 124 10.472 13.275 31.778 1.00 53.60 O HETATM 2261 O HOH A 125 2.675 5.221 19.776 1.00 47.65 O HETATM 2262 O HOH A 126 0.924 17.738 45.891 1.00 39.86 O HETATM 2263 O HOH A 127 -2.616 18.838 60.402 1.00 38.52 O HETATM 2264 O HOH A 128 8.632 2.603 51.681 1.00 40.87 O HETATM 2265 O HOH A 129 -12.848 -8.332 31.873 1.00 40.17 O HETATM 2266 O HOH A 130 4.549 10.511 65.616 1.00 43.61 O HETATM 2267 O HOH A 131 -4.208 17.444 32.425 1.00 40.99 O HETATM 2268 O HOH A 132 -4.794 3.131 69.808 1.00 39.71 O HETATM 2269 O HOH A 133 -11.304 3.057 70.991 1.00 41.95 O HETATM 2270 O HOH A 134 -16.112 16.449 60.634 1.00 43.24 O HETATM 2271 O HOH A 135 -13.201 21.208 59.969 1.00 50.32 O HETATM 2272 O HOH A 136 -4.497 -11.552 44.331 1.00 44.96 O HETATM 2273 O HOH A 137 -3.073 1.474 68.717 1.00 42.97 O HETATM 2274 O HOH A 138 -34.905 6.339 54.504 1.00 55.40 O HETATM 2275 O HOH A 139 5.924 17.862 31.990 1.00 40.12 O HETATM 2276 O HOH A 140 11.384 10.635 30.534 1.00 45.84 O HETATM 2277 O HOH A 141 -5.117 -15.086 49.323 1.00 42.43 O HETATM 2278 O HOH A 142 1.660 19.882 56.171 1.00 46.20 O HETATM 2279 O HOH A 143 -29.062 9.754 44.475 1.00 38.64 O HETATM 2280 O HOH A 144 -9.774 -6.857 49.366 1.00 46.27 O HETATM 2281 O HOH A 145 -7.790 -10.040 43.046 1.00 43.81 O HETATM 2282 O HOH B 79 11.840 4.714 49.305 1.00 32.87 O CONECT 2117 2118 2127 CONECT 2118 2117 2119 CONECT 2119 2118 2120 2121 CONECT 2120 2119 CONECT 2121 2119 2122 CONECT 2122 2121 2123 2127 CONECT 2123 2122 2124 CONECT 2124 2123 2125 CONECT 2125 2124 2126 2131 CONECT 2126 2125 2127 2128 CONECT 2127 2117 2122 2126 2137 CONECT 2128 2126 2129 CONECT 2129 2128 2130 CONECT 2130 2129 2131 2134 2136 CONECT 2131 2125 2130 2132 CONECT 2132 2131 2133 CONECT 2133 2132 2134 CONECT 2134 2130 2133 2135 CONECT 2135 2134 CONECT 2136 2130 CONECT 2137 2127 END