USER MOD reduce.3.24.130724 H: found=0, std=0, add=981, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 985 hydrogens (4 hets) HEADER DE NOVO PROTEIN 08-AUG-06 2HZ8 TITLE QM/MM STRUCTURE REFINED FROM NMR-STRUCTURE OF A SINGLE TITLE 2 CHAIN DIIRON PROTEIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: DE NOVO DESIGNED DIIRON PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS FOUR-HELIX BUNDLE, DE NOVO PROTEIN EXPDTA SOLUTION NMR AUTHOR J.R.CALHOUN,W.LIU,K.SPIEGEL,M.DAL PERARO,M.L.KLEIN,A.J.WAND, AUTHOR 2 W.F.DEGRADO REVDAT 2 11-MAR-08 2HZ8 1 JRNL VERSN REVDAT 1 17-JUL-07 2HZ8 0 JRNL AUTH J.R.CALHOUN,W.LIU,K.SPIEGEL,M.DAL PERARO,M.L.KLEIN, JRNL AUTH 2 K.G.VALENTINE,A.J.WAND,W.F.DEGRADO JRNL TITL SOLUTION NMR STRUCTURE OF A DESIGNED JRNL TITL 2 METALLOPROTEIN AND COMPLEMENTARY MOLECULAR JRNL TITL 3 DYNAMICS REFINEMENT. JRNL REF STRUCTURE V. 16 210 2008 JRNL REFN ISSN 0969-2126 JRNL PMID 18275812 JRNL DOI 10.1016/J.STR.2007.11.011 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.R.CALHOUN,H.KONO,S.LAHR,W.WANG,W.F.DEGRADO, REMARK 1 AUTH 2 J.G.SAVEN REMARK 1 TITL COMPUTATIONAL DESIGN AND CHARACTERIZATION OF A REMARK 1 TITL 2 MONOMERIC HELICAL DINUCLEAR METALLOPROTEIN. REMARK 1 REF J.MOL.BIOL. V. 334 1101 2003 REMARK 1 REFN ISSN 0022-2836 REMARK 1 PMID 14643669 REMARK 1 DOI 10.1016/J.JMB.2003.10.004 REMARK 1 REFERENCE 2 REMARK 1 AUTH J.R.CALHOUN,F.NASTRI,O.MAGLOI,V.PAVONE,A.LOMBARDI, REMARK 1 AUTH 2 W.F.DEGRADO REMARK 1 TITL ARTIFICIAL DIIRON PROTEINS: FROM STRUCTURE TO REMARK 1 TITL 2 FUNCTION. REMARK 1 REF BIOPOLYMERS V. 80 264 2005 REMARK 1 REFN ISSN 0006-3525 REMARK 1 PMID 15700297 REMARK 1 DOI 10.1002/BIP.20230 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1, NAMD VERSION 2.6, AMBER VERSION 8, QM/ REMARK 3 MM (VERSION 3.10), BASED ON CPMD AND GROMOS REMARK 3 AUTHORS : A. BRUNGER, P. ADAMS, M. CLORE, P.GROS, M. REMARK 3 NILGES, AND R. REED (CNS), LAXMIKANT, K, SKEEL, REMARK 3 R, BHANDARKAR, M, BRUNNER, R, GURSOY, A, REMARK 3 KRAWETZ, N, PHILLIPS, J, SHINOZAKI, A, REMARK 3 VARADARAJAN, K,SCHULTEN, K (NAMD), CASE, D. A., REMARK 3 CHEATHAM, T. E., 3RD, DARDEN, T., GOHLKE, H., REMARK 3 LUO, R., MERZ, K. M., JR., ONUFRIEV, A., REMARK 3 SIMMERLING, C., WANG, B., WOODS, R. J. (AMBER), REMARK 3 CPMD: HUTTER, J, ALAVI, A, DEUTSCH, T, BALLONE, REMARK 3 P, BERNASCONI, M, FOCHER, P, GOEDECKER, S; REMARK 3 GROMOS SCOTT WRP, HUHNENBERGER, PH, TIRONI, TG, REMARK 3 MARK, AE, BILLETER SR, FENNEN J, TORDA AE, HUBER REMARK 3 T, KRUGER P, VAN GUNSTEREN WF: LAIO, A., REMARK 3 VANDEVONDELE, J., ROTHLISBERGER, U. (QM/MM) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: AVERAGE OVER LAST PS OF 5PS QM/MM REMARK 3 TRAJECTORY. TWO METAL-SITE WATER MOLECULES ARE INCLUDED IN THE REMARK 3 AVERAGE. OTHER SOLVENT MOLECULES AND COUNTER IONS ARE REMARK 3 EXCLUDED. ATOMS INCLUDED IN THE QM-PART ARE INDICATED WITH A REMARK 3 VALUE OF 1 IN THE BETA-FACTOR COLUMN, WHEREAS ATOMS IN THE MM- REMARK 3 PART ARE INDICATED WITH A VALUE OF 0 IN THE BETA-FACTOR COLUMN. REMARK 4 REMARK 4 2HZ8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-AUG-06. REMARK 100 THE RCSB ID CODE IS RCSB038937. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 308 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : 10 MM NACL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2 MM DUE FERRI SINGLE CHAIN U REMARK 210 -15N, 13C, 2.5 MM ZN(II), 50 REMARK 210 MM DUETERATED SODIUM ACETATE REMARK 210 10 MM NACL, 5% D2O; 2 MM DUE REMARK 210 FERRI SINGLE CHAIN U-15N, 10% REMARK 210 13C, 2.5 MM ZN(II), 50 MM REMARK 210 DUETERATED SODIUM ACETATE 10 REMARK 210 MM NACL, 5% D2O; 2 MM DUE REMARK 210 FERRI SINGLE CHAIN U-15N, 13C, REMARK 210 2.5 MM ZN(II), 50 MM REMARK 210 DUETERATED SODIUM ACETATE 10 REMARK 210 MM NACL, 5% D2O REMARK 210 DIHEXANOYLPHOSPHATIDYLCHOLINE, REMARK 210 DIMYRISTOYLPHOSPHATIDYLCHOLINE REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY, 4D_13C/ REMARK 210 15N-SEPARATED_NOESY, 4D_13C- REMARK 210 SEPARATED_NOESY, HNHA, IPAP- REMARK 210 15N HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ, 500 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE LINUX9, SPARKY 3.110, REMARK 210 VNMR 6.1B REMARK 210 METHOD USED : 1. STEP: CLASSICAL MOLECULAR REMARK 210 DYNAMICS SIMULATION STARTING REMARK 210 FROM NMR-STRUCTURE, USING NON- REMARK 210 BONDED MODEL FOR METAL-SITE. REMARK 210 2. STEP: QM/MM MD FOR REMARK 210 RELAXATION OF LOCAL REMARK 210 FRUSTRATIONS AT THE METAL SITE. REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : DYNAMICAL AVERAGE OF 300K REMARK 210 TRAJECTORY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS FIRST DETERMINED USING TRIPLE- REMARK 210 RESONANCE SPECTRSCOPY. THE STRUCTURE WAS THEN FURTHER REFINED REMARK 210 USING CLASSICAL MD FOLLOWED BY 5 PS OF CAR PARRINELLO HYBRID REMARK 210 QM/MM DYNAMICS. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU A 72 CD GLU A 72 OE1 -0.072 REMARK 500 GLU A 72 CD GLU A 72 OE2 -0.073 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 5 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 ARG A 35 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES REMARK 500 ARG A 106 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 90 25.26 -140.13 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 117 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 11 OE1 REMARK 620 2 GLU A 74 OE2 124.5 REMARK 620 3 GLU A 104 OE1 97.4 111.8 REMARK 620 4 HIS A 107 ND1 107.2 104.9 110.7 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 116 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 44 OE1 REMARK 620 2 GLU A 74 OE1 95.8 REMARK 620 3 HIS A 77 ND1 120.2 99.2 REMARK 620 4 GLU A 104 OE2 132.3 106.8 97.3 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 116 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 117 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1U7J RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF FOUR HELIX-BUNDLE MODEL REMARK 900 RELATED ID: 1NVO RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF FOUR HELIX-BUNDLE MODEL REMARK 900 RELATED ID: 1JMB RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL REMARK 900 RELATED ID: 1JMO RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL REMARK 900 RELATED ID: 1EC5 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL REMARK 900 RELATED ID: 1MFT RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL: DUE FERRI REMARK 900 (II) TURN MUTANT REMARK 999 REMARK 999 SEQUENCE REMARK 999 NO SUITABLE DATABASE REFERENCES WERE REMARK 999 FOUND AT TIME OF PROCESSING DBREF 2HZ8 A 1 115 PDB 2HZ8 2HZ8 1 115 SEQRES 1 A 115 MET ASP GLU LEU ARG GLU LEU LEU LYS ALA GLU GLN GLN SEQRES 2 A 115 ALA ILE LYS ILE TYR LYS GLU VAL LEU LYS LYS ALA LYS SEQRES 3 A 115 GLU GLY ASP GLU GLN GLU LEU ALA ARG LEU ILE GLN GLU SEQRES 4 A 115 ILE VAL LYS ALA GLU LYS GLN ALA VAL LYS VAL TYR LYS SEQRES 5 A 115 GLU ALA ALA GLU LYS ALA ARG ASN PRO GLU LYS ARG GLN SEQRES 6 A 115 VAL ILE ASP LYS ILE LEU GLU ASP GLU GLU LYS HIS ILE SEQRES 7 A 115 GLU TRP LEU LYS ALA ALA SER LYS GLN GLY ASN ALA GLU SEQRES 8 A 115 GLN PHE ALA SER LEU VAL GLN GLN ILE LEU GLN ASP GLU SEQRES 9 A 115 GLN ARG HIS VAL GLU GLU ILE GLU LYS LYS ASN HET ZN A 116 1 HET ZN A 117 1 HETNAM ZN ZINC ION FORMUL 2 ZN 2(ZN 2+) FORMUL 4 HOH *2(H2 O) HELIX 1 1 GLU A 3 GLY A 28 1 26 HELIX 2 2 ASP A 29 ALA A 34 1 6 HELIX 3 3 LEU A 36 LYS A 57 1 22 HELIX 4 4 VAL A 66 GLN A 87 1 22 HELIX 5 5 GLN A 92 ILE A 111 1 20 LINK OE1 GLU A 11 ZN ZN A 117 1555 1555 1.98 LINK OE1 GLU A 44 ZN ZN A 116 1555 1555 2.01 LINK OE1 GLU A 74 ZN ZN A 116 1555 1555 2.11 LINK OE2 GLU A 74 ZN ZN A 117 1555 1555 2.00 LINK ND1 HIS A 77 ZN ZN A 116 1555 1555 2.04 LINK OE1 GLU A 104 ZN ZN A 117 1555 1555 2.06 LINK OE2 GLU A 104 ZN ZN A 116 1555 1555 2.07 LINK ND1 HIS A 107 ZN ZN A 117 1555 1555 2.10 SITE *** AC1 4 GLU A 44 GLU A 74 HIS A 77 GLU A 104 SITE *** AC2 4 GLU A 11 GLU A 74 GLU A 104 HIS A 107 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 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 NoAdj-H: A 77 HIS HD1 : A 77 HIS ND1 : A 116 ZNZN :(H bumps) USER MOD NoAdj-H: A 107 HIS HD1 : A 107 HIS ND1 : A 117 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl -146:sc= 0 (180deg=-0.0116) USER MOD Single : A 1 MET N :NH3+ -133:sc= 1.78 (180deg=1.02) USER MOD Single : A 9 LYS NZ :NH3+ -155:sc= 1.68 (180deg=1.37) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -156:sc= 0.833 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= 2.19 (180deg=2.13) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 42 LYS NZ :NH3+ -134:sc= 1.29 (180deg=0.0297) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 14:sc= 0.879 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.579 K(o=0.58,f=-4.4!) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= 1.15 (180deg=0.726) USER MOD Single : A 65 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.9!) USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.22) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -158:sc= 0.824 (180deg=-0.0558) USER MOD Single : A 85 SER OG : rot 68:sc= 1.26 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0.345 K(o=0.35,f=-0.31) USER MOD Single : A 89 ASN : amide:sc= 0.217 K(o=0.22,f=-1.7!) USER MOD Single : A 92 GLN : amide:sc= 1.04 K(o=1,f=-0.34) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 113 LYS NZ :NH3+ 167:sc= 1.25 (180deg=0.672) USER MOD Single : A 114 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.24) USER MOD Single : A 115 ASN : amide:sc= -0.207 X(o=-0.21,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.996 -3.486 4.183 1.00 0.00 N ATOM 2 CA MET A 1 20.066 -2.583 5.341 1.00 0.00 C ATOM 3 C MET A 1 19.231 -1.319 5.131 1.00 0.00 C ATOM 4 O MET A 1 18.448 -0.984 6.009 1.00 0.00 O ATOM 5 CB MET A 1 21.525 -2.294 5.723 1.00 0.00 C ATOM 6 CG MET A 1 21.709 -1.679 7.106 1.00 0.00 C ATOM 7 SD MET A 1 21.314 0.066 7.284 1.00 0.00 S ATOM 8 CE MET A 1 22.711 0.816 6.488 1.00 0.00 C ATOM 0 H1 MET A 1 19.817 -4.457 4.510 1.00 0.00 H new ATOM 0 H2 MET A 1 19.224 -3.185 3.554 1.00 0.00 H new ATOM 0 H3 MET A 1 20.897 -3.456 3.664 1.00 0.00 H new ATOM 0 HA MET A 1 19.616 -3.089 6.195 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.090 -3.225 5.675 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.955 -1.622 4.981 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.093 -2.239 7.810 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.747 -1.823 7.405 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.954 1.754 6.988 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.566 0.143 6.543 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.472 1.013 5.443 1.00 0.00 H new ATOM 20 N ASP A 2 19.361 -0.624 4.001 1.00 0.00 N ATOM 21 CA ASP A 2 18.735 0.679 3.714 1.00 0.00 C ATOM 22 C ASP A 2 17.643 0.635 2.621 1.00 0.00 C ATOM 23 O ASP A 2 17.370 1.629 1.953 1.00 0.00 O ATOM 24 CB ASP A 2 19.815 1.743 3.448 1.00 0.00 C ATOM 25 CG ASP A 2 20.590 1.593 2.144 1.00 0.00 C ATOM 26 OD1 ASP A 2 20.764 0.499 1.641 1.00 0.00 O ATOM 27 OD2 ASP A 2 21.125 2.563 1.625 1.00 0.00 O ATOM 0 H ASP A 2 19.928 -0.963 3.224 1.00 0.00 H new ATOM 0 HA ASP A 2 18.186 0.968 4.610 1.00 0.00 H new ATOM 0 HB2 ASP A 2 19.341 2.724 3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 2 20.525 1.726 4.274 1.00 0.00 H new ATOM 32 N GLU A 3 16.987 -0.509 2.441 1.00 0.00 N ATOM 33 CA GLU A 3 15.836 -0.703 1.541 1.00 0.00 C ATOM 34 C GLU A 3 14.689 0.292 1.774 1.00 0.00 C ATOM 35 O GLU A 3 13.984 0.636 0.829 1.00 0.00 O ATOM 36 CB GLU A 3 15.270 -2.126 1.677 1.00 0.00 C ATOM 37 CG GLU A 3 16.137 -3.231 1.073 1.00 0.00 C ATOM 38 CD GLU A 3 17.480 -3.414 1.768 1.00 0.00 C ATOM 39 OE1 GLU A 3 17.544 -3.398 3.008 1.00 0.00 O ATOM 40 OE2 GLU A 3 18.489 -3.570 1.063 1.00 0.00 O ATOM 0 H GLU A 3 17.247 -1.363 2.934 1.00 0.00 H new ATOM 0 HA GLU A 3 16.229 -0.531 0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 3 15.120 -2.341 2.735 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.289 -2.156 1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 3 15.588 -4.172 1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 3 16.312 -3.007 0.021 1.00 0.00 H new ATOM 47 N LEU A 4 14.513 0.798 2.998 1.00 0.00 N ATOM 48 CA LEU A 4 13.484 1.785 3.338 1.00 0.00 C ATOM 49 C LEU A 4 13.497 3.070 2.487 1.00 0.00 C ATOM 50 O LEU A 4 12.483 3.752 2.399 1.00 0.00 O ATOM 51 CB LEU A 4 13.474 2.062 4.849 1.00 0.00 C ATOM 52 CG LEU A 4 14.432 3.119 5.396 1.00 0.00 C ATOM 53 CD1 LEU A 4 14.184 3.267 6.889 1.00 0.00 C ATOM 54 CD2 LEU A 4 15.898 2.803 5.183 1.00 0.00 C ATOM 0 H LEU A 4 15.091 0.529 3.794 1.00 0.00 H new ATOM 0 HA LEU A 4 12.533 1.325 3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.462 2.355 5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 4 13.686 1.123 5.361 1.00 0.00 H new ATOM 0 HG LEU A 4 14.229 4.037 4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 4 14.860 4.018 7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 4 13.153 3.577 7.058 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.362 2.312 7.384 1.00 0.00 H new ATOM 0 HD21 LEU A 4 16.507 3.604 5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 4 16.144 1.864 5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 4 16.099 2.713 4.116 1.00 0.00 H new ATOM 66 N ARG A 5 14.614 3.391 1.828 1.00 0.00 N ATOM 67 CA ARG A 5 14.743 4.505 0.872 1.00 0.00 C ATOM 68 C ARG A 5 14.050 4.250 -0.468 1.00 0.00 C ATOM 69 O ARG A 5 13.649 5.186 -1.127 1.00 0.00 O ATOM 70 CB ARG A 5 16.226 4.829 0.658 1.00 0.00 C ATOM 71 CG ARG A 5 16.878 5.348 1.939 1.00 0.00 C ATOM 72 CD ARG A 5 18.298 5.829 1.745 1.00 0.00 C ATOM 73 NE ARG A 5 18.773 6.482 2.955 1.00 0.00 N ATOM 74 CZ ARG A 5 19.601 7.479 3.069 1.00 0.00 C ATOM 75 NH1 ARG A 5 20.248 7.985 2.079 1.00 0.00 N ATOM 76 NH2 ARG A 5 19.789 8.002 4.229 1.00 0.00 N ATOM 0 H ARG A 5 15.483 2.869 1.946 1.00 0.00 H new ATOM 0 HA ARG A 5 14.230 5.360 1.313 1.00 0.00 H new ATOM 0 HB2 ARG A 5 16.749 3.935 0.319 1.00 0.00 H new ATOM 0 HB3 ARG A 5 16.326 5.575 -0.130 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.277 6.166 2.336 1.00 0.00 H new ATOM 0 HG3 ARG A 5 16.871 4.555 2.687 1.00 0.00 H new ATOM 0 HD2 ARG A 5 18.945 4.987 1.498 1.00 0.00 H new ATOM 0 HD3 ARG A 5 18.344 6.523 0.906 1.00 0.00 H new ATOM 0 HE ARG A 5 18.408 6.108 3.831 1.00 0.00 H new ATOM 0 HH11 ARG A 5 20.125 7.604 1.141 1.00 0.00 H new ATOM 0 HH12 ARG A 5 20.884 8.768 2.232 1.00 0.00 H new ATOM 0 HH21 ARG A 5 19.293 7.634 5.041 1.00 0.00 H new ATOM 0 HH22 ARG A 5 20.435 8.784 4.337 1.00 0.00 H new ATOM 90 N GLU A 6 13.851 3.002 -0.856 1.00 0.00 N ATOM 91 CA GLU A 6 13.067 2.608 -2.032 1.00 0.00 C ATOM 92 C GLU A 6 11.637 2.203 -1.659 1.00 0.00 C ATOM 93 O GLU A 6 10.728 2.341 -2.465 1.00 0.00 O ATOM 94 CB GLU A 6 13.750 1.459 -2.778 1.00 0.00 C ATOM 95 CG GLU A 6 15.177 1.755 -3.229 1.00 0.00 C ATOM 96 CD GLU A 6 15.285 2.998 -4.106 1.00 0.00 C ATOM 97 OE1 GLU A 6 14.852 2.961 -5.267 1.00 0.00 O ATOM 98 OE2 GLU A 6 15.812 4.026 -3.646 1.00 0.00 O ATOM 0 H GLU A 6 14.239 2.205 -0.351 1.00 0.00 H new ATOM 0 HA GLU A 6 13.012 3.480 -2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.761 0.580 -2.133 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.152 1.205 -3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.810 1.882 -2.351 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.563 0.896 -3.778 1.00 0.00 H new ATOM 105 N LEU A 7 11.405 1.757 -0.429 1.00 0.00 N ATOM 106 CA LEU A 7 10.058 1.557 0.109 1.00 0.00 C ATOM 107 C LEU A 7 9.317 2.885 0.319 1.00 0.00 C ATOM 108 O LEU A 7 8.126 2.940 0.077 1.00 0.00 O ATOM 109 CB LEU A 7 10.123 0.731 1.401 1.00 0.00 C ATOM 110 CG LEU A 7 10.592 -0.711 1.210 1.00 0.00 C ATOM 111 CD1 LEU A 7 10.781 -1.407 2.538 1.00 0.00 C ATOM 112 CD2 LEU A 7 9.621 -1.503 0.393 1.00 0.00 C ATOM 0 H LEU A 7 12.148 1.522 0.229 1.00 0.00 H new ATOM 0 HA LEU A 7 9.480 0.999 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.794 1.228 2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.134 0.720 1.860 1.00 0.00 H new ATOM 0 HG LEU A 7 11.546 -0.658 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 7 11.115 -2.431 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 7 11.529 -0.874 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.836 -1.419 3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.988 -2.523 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.653 -1.520 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.513 -1.044 -0.590 1.00 0.00 H new ATOM 124 N LEU A 8 10.006 3.974 0.659 1.00 0.00 N ATOM 125 CA LEU A 8 9.444 5.331 0.653 1.00 0.00 C ATOM 126 C LEU A 8 8.837 5.703 -0.705 1.00 0.00 C ATOM 127 O LEU A 8 7.706 6.169 -0.767 1.00 0.00 O ATOM 128 CB LEU A 8 10.536 6.325 1.089 1.00 0.00 C ATOM 129 CG LEU A 8 10.156 7.805 1.039 1.00 0.00 C ATOM 130 CD1 LEU A 8 8.962 8.139 1.896 1.00 0.00 C ATOM 131 CD2 LEU A 8 11.325 8.653 1.506 1.00 0.00 C ATOM 0 H LEU A 8 10.983 3.942 0.951 1.00 0.00 H new ATOM 0 HA LEU A 8 8.618 5.373 1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.834 6.082 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.410 6.174 0.456 1.00 0.00 H new ATOM 0 HG LEU A 8 9.898 8.019 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.744 9.204 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.099 7.566 1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.178 7.889 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.048 9.707 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.585 8.383 2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.183 8.480 0.856 1.00 0.00 H new ATOM 143 N LYS A 9 9.557 5.433 -1.793 1.00 0.00 N ATOM 144 CA LYS A 9 9.082 5.644 -3.167 1.00 0.00 C ATOM 145 C LYS A 9 7.852 4.789 -3.472 1.00 0.00 C ATOM 146 O LYS A 9 6.897 5.289 -4.046 1.00 0.00 O ATOM 147 CB LYS A 9 10.206 5.372 -4.175 1.00 0.00 C ATOM 148 CG LYS A 9 11.458 6.206 -3.921 1.00 0.00 C ATOM 149 CD LYS A 9 12.543 5.890 -4.943 1.00 0.00 C ATOM 150 CE LYS A 9 13.765 6.777 -4.768 1.00 0.00 C ATOM 151 NZ LYS A 9 14.512 6.483 -3.535 1.00 0.00 N ATOM 0 H LYS A 9 10.503 5.055 -1.748 1.00 0.00 H new ATOM 0 HA LYS A 9 8.784 6.688 -3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.469 4.315 -4.140 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.840 5.576 -5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.208 7.266 -3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.832 6.010 -2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.837 4.845 -4.848 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.143 6.019 -5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.425 6.651 -5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.452 7.821 -4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.043 7.328 -3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.847 6.213 -2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.175 5.700 -3.709 1.00 0.00 H new ATOM 165 N ALA A 10 7.835 3.534 -3.030 1.00 0.00 N ATOM 166 CA ALA A 10 6.692 2.640 -3.181 1.00 0.00 C ATOM 167 C ALA A 10 5.429 3.129 -2.447 1.00 0.00 C ATOM 168 O ALA A 10 4.352 3.069 -3.020 1.00 0.00 O ATOM 169 CB ALA A 10 7.099 1.237 -2.746 1.00 0.00 C ATOM 0 H ALA A 10 8.626 3.104 -2.550 1.00 0.00 H new ATOM 0 HA ALA A 10 6.411 2.628 -4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.250 0.562 -2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.923 0.888 -3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.415 1.257 -1.703 1.00 0.00 H new ATOM 175 N GLU A 11 5.542 3.659 -1.225 1.00 0.00 N ATOM 176 CA GLU A 11 4.424 4.246 -0.505 1.00 0.00 C ATOM 177 C GLU A 11 3.899 5.542 -1.153 1.00 1.00 C ATOM 178 O GLU A 11 2.694 5.696 -1.313 1.00 1.00 O ATOM 179 CB GLU A 11 4.857 4.502 0.944 1.00 1.00 C ATOM 180 CG GLU A 11 5.237 3.266 1.808 1.00 1.00 C ATOM 181 CD GLU A 11 4.242 2.104 1.799 1.00 1.00 C ATOM 182 OE1 GLU A 11 3.064 2.344 2.218 1.00 1.00 O ATOM 183 OE2 GLU A 11 4.603 0.998 1.434 1.00 1.00 O ATOM 0 H GLU A 11 6.422 3.689 -0.710 1.00 0.00 H new ATOM 0 HA GLU A 11 3.594 3.541 -0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.714 5.176 0.925 1.00 1.00 H new ATOM 0 HB3 GLU A 11 4.048 5.030 1.449 1.00 1.00 H new ATOM 0 HG2 GLU A 11 6.203 2.893 1.466 1.00 1.00 H new ATOM 0 HG3 GLU A 11 5.369 3.596 2.838 1.00 1.00 H new ATOM 190 N GLN A 12 4.787 6.438 -1.599 1.00 0.00 N ATOM 191 CA GLN A 12 4.415 7.637 -2.361 1.00 0.00 C ATOM 192 C GLN A 12 3.680 7.281 -3.663 1.00 0.00 C ATOM 193 O GLN A 12 2.655 7.875 -3.982 1.00 0.00 O ATOM 194 CB GLN A 12 5.660 8.486 -2.667 1.00 0.00 C ATOM 195 CG GLN A 12 6.231 9.207 -1.439 1.00 0.00 C ATOM 196 CD GLN A 12 7.452 10.044 -1.733 1.00 0.00 C ATOM 197 OE1 GLN A 12 8.090 9.934 -2.751 1.00 0.00 O ATOM 198 NE2 GLN A 12 7.817 10.955 -0.880 1.00 0.00 N ATOM 0 H GLN A 12 5.791 6.351 -1.441 1.00 0.00 H new ATOM 0 HA GLN A 12 3.730 8.218 -1.743 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.432 7.844 -3.092 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.407 9.226 -3.427 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.458 9.847 -1.014 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.485 8.466 -0.681 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.300 11.075 -0.009 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.621 11.550 -1.082 1.00 0.00 H new ATOM 207 N GLN A 13 4.161 6.274 -4.393 1.00 0.00 N ATOM 208 CA GLN A 13 3.508 5.737 -5.589 1.00 0.00 C ATOM 209 C GLN A 13 2.138 5.115 -5.282 1.00 0.00 C ATOM 210 O GLN A 13 1.197 5.332 -6.040 1.00 0.00 O ATOM 211 CB GLN A 13 4.430 4.704 -6.243 1.00 0.00 C ATOM 212 CG GLN A 13 5.634 5.342 -6.931 1.00 0.00 C ATOM 213 CD GLN A 13 6.750 4.359 -7.206 1.00 0.00 C ATOM 214 OE1 GLN A 13 6.554 3.175 -7.368 1.00 0.00 O ATOM 215 NE2 GLN A 13 7.969 4.810 -7.293 1.00 0.00 N ATOM 0 H GLN A 13 5.034 5.798 -4.165 1.00 0.00 H new ATOM 0 HA GLN A 13 3.327 6.565 -6.274 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.779 4.003 -5.485 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.863 4.127 -6.973 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.312 5.790 -7.871 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.015 6.150 -6.307 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.156 5.804 -7.160 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.737 4.169 -7.494 1.00 0.00 H new ATOM 224 N ALA A 14 2.000 4.379 -4.175 1.00 0.00 N ATOM 225 CA ALA A 14 0.740 3.764 -3.761 1.00 0.00 C ATOM 226 C ALA A 14 -0.350 4.812 -3.487 1.00 0.00 C ATOM 227 O ALA A 14 -1.464 4.681 -3.976 1.00 0.00 O ATOM 228 CB ALA A 14 0.979 2.872 -2.542 1.00 0.00 C ATOM 0 H ALA A 14 2.772 4.193 -3.535 1.00 0.00 H new ATOM 0 HA ALA A 14 0.374 3.148 -4.582 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.038 2.415 -2.236 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.696 2.091 -2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.374 3.473 -1.723 1.00 0.00 H new ATOM 234 N ILE A 15 -0.024 5.888 -2.772 1.00 0.00 N ATOM 235 CA ILE A 15 -0.929 7.022 -2.537 1.00 0.00 C ATOM 236 C ILE A 15 -1.410 7.617 -3.866 1.00 0.00 C ATOM 237 O ILE A 15 -2.606 7.813 -4.054 1.00 0.00 O ATOM 238 CB ILE A 15 -0.239 8.079 -1.645 1.00 0.00 C ATOM 239 CG1 ILE A 15 0.018 7.520 -0.232 1.00 0.00 C ATOM 240 CG2 ILE A 15 -1.070 9.365 -1.541 1.00 0.00 C ATOM 241 CD1 ILE A 15 1.069 8.317 0.535 1.00 0.00 C ATOM 0 H ILE A 15 0.889 6.002 -2.331 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.813 6.667 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 15 0.713 8.321 -2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.916 7.522 0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.341 6.482 -0.310 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.551 10.083 -0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.206 9.792 -2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.044 9.135 -1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.209 7.878 1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.013 8.293 -0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.737 9.350 0.640 1.00 0.00 H new ATOM 253 N LYS A 16 -0.498 7.863 -4.809 1.00 0.00 N ATOM 254 CA LYS A 16 -0.791 8.468 -6.118 1.00 0.00 C ATOM 255 C LYS A 16 -1.694 7.625 -7.019 1.00 0.00 C ATOM 256 O LYS A 16 -2.438 8.193 -7.787 1.00 0.00 O ATOM 257 CB LYS A 16 0.519 8.816 -6.829 1.00 0.00 C ATOM 258 CG LYS A 16 1.251 9.982 -6.170 1.00 0.00 C ATOM 259 CD LYS A 16 2.681 10.072 -6.676 1.00 0.00 C ATOM 260 CE LYS A 16 3.458 11.115 -5.940 1.00 0.00 C ATOM 261 NZ LYS A 16 4.829 11.240 -6.443 1.00 0.00 N ATOM 0 H LYS A 16 0.490 7.643 -4.684 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.363 9.374 -5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.169 7.941 -6.835 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.309 9.065 -7.869 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.726 10.914 -6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.250 9.854 -5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.170 9.105 -6.562 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.677 10.304 -7.741 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.950 12.075 -6.030 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.483 10.866 -4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.331 11.974 -5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.323 10.331 -6.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.807 11.503 -7.449 1.00 0.00 H new ATOM 275 N ILE A 17 -1.685 6.307 -6.938 1.00 0.00 N ATOM 276 CA ILE A 17 -2.642 5.455 -7.666 1.00 0.00 C ATOM 277 C ILE A 17 -3.980 5.329 -6.929 1.00 0.00 C ATOM 278 O ILE A 17 -5.023 5.438 -7.566 1.00 0.00 O ATOM 279 CB ILE A 17 -2.033 4.096 -8.074 1.00 0.00 C ATOM 280 CG1 ILE A 17 -2.966 3.253 -8.960 1.00 0.00 C ATOM 281 CG2 ILE A 17 -1.588 3.245 -6.885 1.00 0.00 C ATOM 282 CD1 ILE A 17 -3.290 3.876 -10.306 1.00 0.00 C ATOM 0 H ILE A 17 -1.019 5.785 -6.369 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.868 5.962 -8.604 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.152 4.375 -8.652 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.506 2.279 -9.126 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.897 3.078 -8.421 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.170 2.305 -7.246 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.831 3.783 -6.315 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.445 3.039 -6.244 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.953 3.214 -10.863 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.782 4.837 -10.153 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.369 4.025 -10.869 1.00 0.00 H new ATOM 294 N TYR A 18 -3.995 5.212 -5.597 1.00 0.00 N ATOM 295 CA TYR A 18 -5.243 5.240 -4.827 1.00 0.00 C ATOM 296 C TYR A 18 -6.025 6.555 -5.009 1.00 0.00 C ATOM 297 O TYR A 18 -7.248 6.519 -5.088 1.00 0.00 O ATOM 298 CB TYR A 18 -4.989 4.931 -3.347 1.00 0.00 C ATOM 299 CG TYR A 18 -5.030 3.462 -2.974 1.00 0.00 C ATOM 300 CD1 TYR A 18 -6.261 2.812 -2.894 1.00 0.00 C ATOM 301 CD2 TYR A 18 -3.875 2.749 -2.672 1.00 0.00 C ATOM 302 CE1 TYR A 18 -6.339 1.454 -2.554 1.00 0.00 C ATOM 303 CE2 TYR A 18 -3.945 1.389 -2.331 1.00 0.00 C ATOM 304 CZ TYR A 18 -5.178 0.735 -2.283 1.00 0.00 C ATOM 305 OH TYR A 18 -5.260 -0.574 -1.965 1.00 0.00 O ATOM 0 H TYR A 18 -3.156 5.097 -5.029 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.878 4.451 -5.229 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.013 5.331 -3.072 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.731 5.461 -2.750 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.168 3.363 -3.097 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.916 3.246 -2.700 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -7.301 0.965 -2.502 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.040 0.845 -2.104 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.465 -0.837 -1.456 1.00 0.00 H new ATOM 315 N LYS A 19 -5.341 7.698 -5.156 1.00 0.00 N ATOM 316 CA LYS A 19 -5.940 8.998 -5.513 1.00 0.00 C ATOM 317 C LYS A 19 -6.694 8.988 -6.848 1.00 0.00 C ATOM 318 O LYS A 19 -7.733 9.608 -6.946 1.00 0.00 O ATOM 319 CB LYS A 19 -4.859 10.092 -5.516 1.00 0.00 C ATOM 320 CG LYS A 19 -4.557 10.634 -4.123 1.00 0.00 C ATOM 321 CD LYS A 19 -3.414 11.625 -4.096 1.00 0.00 C ATOM 322 CE LYS A 19 -3.181 12.126 -2.689 1.00 0.00 C ATOM 323 NZ LYS A 19 -2.063 13.055 -2.578 1.00 0.00 N ATOM 0 H LYS A 19 -4.330 7.749 -5.027 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.688 9.212 -4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.944 9.690 -5.950 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.182 10.912 -6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.452 11.113 -3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.321 9.801 -3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.507 11.154 -4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.637 12.464 -4.755 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.087 12.616 -2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.001 11.274 -2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.960 13.358 -1.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.189 12.585 -2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.241 13.886 -3.178 1.00 0.00 H new ATOM 337 N GLU A 20 -6.211 8.273 -7.852 1.00 0.00 N ATOM 338 CA GLU A 20 -6.888 8.106 -9.144 1.00 0.00 C ATOM 339 C GLU A 20 -8.079 7.144 -9.030 1.00 0.00 C ATOM 340 O GLU A 20 -9.187 7.486 -9.431 1.00 0.00 O ATOM 341 CB GLU A 20 -5.874 7.611 -10.189 1.00 0.00 C ATOM 342 CG GLU A 20 -6.377 7.575 -11.633 1.00 0.00 C ATOM 343 CD GLU A 20 -6.461 8.949 -12.271 1.00 0.00 C ATOM 344 OE1 GLU A 20 -7.393 9.678 -12.032 1.00 0.00 O ATOM 345 OE2 GLU A 20 -5.590 9.331 -13.025 1.00 0.00 O ATOM 0 H GLU A 20 -5.320 7.780 -7.798 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.286 9.070 -9.461 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.993 8.251 -10.146 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.552 6.608 -9.910 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.714 6.946 -12.226 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.363 7.110 -11.656 1.00 0.00 H new ATOM 352 N VAL A 21 -7.882 5.964 -8.429 1.00 0.00 N ATOM 353 CA VAL A 21 -8.939 4.951 -8.270 1.00 0.00 C ATOM 354 C VAL A 21 -10.130 5.482 -7.473 1.00 0.00 C ATOM 355 O VAL A 21 -11.261 5.172 -7.820 1.00 0.00 O ATOM 356 CB VAL A 21 -8.397 3.643 -7.670 1.00 0.00 C ATOM 357 CG1 VAL A 21 -9.469 2.601 -7.476 1.00 0.00 C ATOM 358 CG2 VAL A 21 -7.356 3.010 -8.566 1.00 0.00 C ATOM 0 H VAL A 21 -6.983 5.682 -8.037 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.302 4.721 -9.272 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.975 3.935 -6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.028 1.700 -7.050 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.232 2.986 -6.800 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.923 2.363 -8.438 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.996 2.088 -8.110 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.799 2.786 -9.536 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.522 3.699 -8.698 1.00 0.00 H new ATOM 368 N LEU A 22 -9.914 6.338 -6.471 1.00 0.00 N ATOM 369 CA LEU A 22 -10.983 7.009 -5.727 1.00 0.00 C ATOM 370 C LEU A 22 -11.890 7.846 -6.644 1.00 0.00 C ATOM 371 O LEU A 22 -13.107 7.721 -6.569 1.00 0.00 O ATOM 372 CB LEU A 22 -10.342 7.819 -4.583 1.00 0.00 C ATOM 373 CG LEU A 22 -11.262 8.475 -3.541 1.00 0.00 C ATOM 374 CD1 LEU A 22 -11.924 9.753 -4.031 1.00 0.00 C ATOM 375 CD2 LEU A 22 -12.331 7.536 -3.009 1.00 0.00 C ATOM 0 H LEU A 22 -8.979 6.588 -6.149 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.654 6.270 -5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.659 7.157 -4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.737 8.606 -5.033 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.585 8.731 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.558 10.160 -3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.158 10.483 -4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -12.532 9.534 -4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.946 8.061 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.958 7.195 -3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.857 6.677 -2.534 1.00 0.00 H new ATOM 387 N LYS A 23 -11.326 8.637 -7.564 1.00 0.00 N ATOM 388 CA LYS A 23 -12.111 9.392 -8.556 1.00 0.00 C ATOM 389 C LYS A 23 -12.922 8.470 -9.462 1.00 0.00 C ATOM 390 O LYS A 23 -14.087 8.752 -9.698 1.00 0.00 O ATOM 391 CB LYS A 23 -11.228 10.306 -9.415 1.00 0.00 C ATOM 392 CG LYS A 23 -10.524 11.407 -8.635 1.00 0.00 C ATOM 393 CD LYS A 23 -9.751 12.304 -9.588 1.00 0.00 C ATOM 394 CE LYS A 23 -8.961 13.368 -8.845 1.00 0.00 C ATOM 395 NZ LYS A 23 -8.108 14.136 -9.760 1.00 0.00 N ATOM 0 H LYS A 23 -10.318 8.774 -7.645 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.799 10.013 -7.983 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.478 9.697 -9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.843 10.762 -10.191 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.255 11.996 -8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.845 10.969 -7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.071 11.698 -10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.444 12.783 -10.280 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.647 14.042 -8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.345 12.898 -8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.581 14.854 -9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.438 13.495 -10.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.700 14.604 -10.476 1.00 0.00 H new ATOM 409 N LYS A 24 -12.345 7.360 -9.929 1.00 0.00 N ATOM 410 CA LYS A 24 -13.033 6.362 -10.768 1.00 0.00 C ATOM 411 C LYS A 24 -14.150 5.628 -10.022 1.00 0.00 C ATOM 412 O LYS A 24 -15.214 5.426 -10.584 1.00 0.00 O ATOM 413 CB LYS A 24 -12.031 5.349 -11.350 1.00 0.00 C ATOM 414 CG LYS A 24 -10.862 5.933 -12.153 1.00 0.00 C ATOM 415 CD LYS A 24 -11.224 6.988 -13.199 1.00 0.00 C ATOM 416 CE LYS A 24 -12.205 6.465 -14.222 1.00 0.00 C ATOM 417 NZ LYS A 24 -12.528 7.441 -15.261 1.00 0.00 N ATOM 0 H LYS A 24 -11.373 7.121 -9.735 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.499 6.916 -11.583 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.622 4.762 -10.528 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.577 4.659 -11.993 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.152 6.373 -11.453 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.348 5.114 -12.656 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.650 7.859 -12.701 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.318 7.322 -13.705 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.792 5.571 -14.688 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.123 6.165 -13.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.178 7.012 -15.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.981 8.272 -14.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.655 7.735 -15.745 1.00 0.00 H new ATOM 431 N ALA A 25 -13.944 5.289 -8.754 1.00 0.00 N ATOM 432 CA ALA A 25 -14.949 4.691 -7.881 1.00 0.00 C ATOM 433 C ALA A 25 -16.148 5.623 -7.635 1.00 0.00 C ATOM 434 O ALA A 25 -17.274 5.155 -7.630 1.00 0.00 O ATOM 435 CB ALA A 25 -14.283 4.261 -6.574 1.00 0.00 C ATOM 0 H ALA A 25 -13.046 5.427 -8.291 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.361 3.813 -8.379 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -15.028 3.813 -5.916 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.501 3.532 -6.787 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -13.844 5.131 -6.086 1.00 0.00 H new ATOM 441 N LYS A 26 -15.931 6.932 -7.496 1.00 0.00 N ATOM 442 CA LYS A 26 -17.008 7.933 -7.397 1.00 0.00 C ATOM 443 C LYS A 26 -17.661 8.278 -8.736 1.00 0.00 C ATOM 444 O LYS A 26 -18.846 8.553 -8.759 1.00 0.00 O ATOM 445 CB LYS A 26 -16.495 9.195 -6.695 1.00 0.00 C ATOM 446 CG LYS A 26 -16.205 8.937 -5.219 1.00 0.00 C ATOM 447 CD LYS A 26 -15.923 10.222 -4.456 1.00 0.00 C ATOM 448 CE LYS A 26 -15.599 9.901 -3.015 1.00 0.00 C ATOM 449 NZ LYS A 26 -15.334 11.101 -2.220 1.00 0.00 N ATOM 0 H LYS A 26 -14.996 7.336 -7.448 1.00 0.00 H new ATOM 0 HA LYS A 26 -17.796 7.476 -6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -15.588 9.544 -7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -17.235 9.990 -6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.056 8.427 -4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.349 8.268 -5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.090 10.754 -4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -16.789 10.883 -4.505 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -16.430 9.352 -2.573 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.729 9.245 -2.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.117 10.828 -1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.524 11.613 -2.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -16.172 11.716 -2.230 1.00 0.00 H new ATOM 463 N GLU A 27 -16.933 8.215 -9.845 1.00 0.00 N ATOM 464 CA GLU A 27 -17.469 8.336 -11.212 1.00 0.00 C ATOM 465 C GLU A 27 -18.363 7.145 -11.607 1.00 0.00 C ATOM 466 O GLU A 27 -19.201 7.258 -12.487 1.00 0.00 O ATOM 467 CB GLU A 27 -16.295 8.474 -12.197 1.00 0.00 C ATOM 468 CG GLU A 27 -16.651 9.026 -13.554 1.00 0.00 C ATOM 469 CD GLU A 27 -15.520 8.995 -14.560 1.00 0.00 C ATOM 470 OE1 GLU A 27 -14.355 9.173 -14.200 1.00 0.00 O ATOM 471 OE2 GLU A 27 -15.784 8.779 -15.746 1.00 0.00 O ATOM 0 H GLU A 27 -15.923 8.074 -9.826 1.00 0.00 H new ATOM 0 HA GLU A 27 -18.102 9.223 -11.248 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.540 9.119 -11.748 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.838 7.494 -12.331 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.492 8.459 -13.954 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.988 10.056 -13.436 1.00 0.00 H new ATOM 478 N GLY A 28 -18.189 5.993 -10.965 1.00 0.00 N ATOM 479 CA GLY A 28 -18.841 4.737 -11.315 1.00 0.00 C ATOM 480 C GLY A 28 -18.402 4.170 -12.662 1.00 0.00 C ATOM 481 O GLY A 28 -19.157 3.475 -13.313 1.00 0.00 O ATOM 0 H GLY A 28 -17.569 5.907 -10.160 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -18.634 4.002 -10.537 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -19.920 4.890 -11.330 1.00 0.00 H new ATOM 485 N ASP A 29 -17.198 4.495 -13.112 1.00 0.00 N ATOM 486 CA ASP A 29 -16.621 4.083 -14.391 1.00 0.00 C ATOM 487 C ASP A 29 -16.067 2.655 -14.323 1.00 0.00 C ATOM 488 O ASP A 29 -14.880 2.411 -14.497 1.00 0.00 O ATOM 489 CB ASP A 29 -15.587 5.118 -14.837 1.00 0.00 C ATOM 490 CG ASP A 29 -15.151 4.981 -16.289 1.00 0.00 C ATOM 491 OD1 ASP A 29 -15.860 4.399 -17.119 1.00 0.00 O ATOM 492 OD2 ASP A 29 -14.128 5.563 -16.641 1.00 0.00 O ATOM 0 H ASP A 29 -16.563 5.082 -12.571 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.401 4.050 -15.152 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.000 6.115 -14.686 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.709 5.036 -14.197 1.00 0.00 H new ATOM 497 N GLU A 30 -16.922 1.694 -13.994 1.00 0.00 N ATOM 498 CA GLU A 30 -16.540 0.312 -13.684 1.00 0.00 C ATOM 499 C GLU A 30 -15.845 -0.444 -14.827 1.00 0.00 C ATOM 500 O GLU A 30 -15.252 -1.483 -14.611 1.00 0.00 O ATOM 501 CB GLU A 30 -17.737 -0.502 -13.185 1.00 0.00 C ATOM 502 CG GLU A 30 -18.517 0.147 -12.051 1.00 0.00 C ATOM 503 CD GLU A 30 -19.331 -0.851 -11.246 1.00 0.00 C ATOM 504 OE1 GLU A 30 -19.907 -1.789 -11.815 1.00 0.00 O ATOM 505 OE2 GLU A 30 -19.374 -0.713 -10.009 1.00 0.00 O ATOM 0 H GLU A 30 -17.928 1.853 -13.932 1.00 0.00 H new ATOM 0 HA GLU A 30 -15.798 0.415 -12.892 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -18.414 -0.677 -14.021 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -17.383 -1.478 -12.853 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -17.822 0.661 -11.387 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.184 0.904 -12.463 1.00 0.00 H new ATOM 512 N GLN A 31 -15.887 0.074 -16.035 1.00 0.00 N ATOM 513 CA GLN A 31 -15.147 -0.431 -17.191 1.00 0.00 C ATOM 514 C GLN A 31 -13.680 0.036 -17.220 1.00 0.00 C ATOM 515 O GLN A 31 -12.867 -0.601 -17.862 1.00 0.00 O ATOM 516 CB GLN A 31 -15.890 -0.045 -18.472 1.00 0.00 C ATOM 517 CG GLN A 31 -17.283 -0.665 -18.533 1.00 0.00 C ATOM 518 CD GLN A 31 -18.025 -0.309 -19.802 1.00 0.00 C ATOM 519 OE1 GLN A 31 -18.130 -1.081 -20.717 1.00 0.00 O ATOM 520 NE2 GLN A 31 -18.558 0.863 -19.905 1.00 0.00 N ATOM 0 H GLN A 31 -16.457 0.890 -16.257 1.00 0.00 H new ATOM 0 HA GLN A 31 -15.100 -1.517 -17.112 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.973 1.040 -18.530 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.311 -0.367 -19.338 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -17.197 -1.749 -18.459 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -17.863 -0.332 -17.672 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -18.477 1.529 -19.137 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -19.060 1.122 -20.754 1.00 0.00 H new ATOM 529 N GLU A 32 -13.314 1.091 -16.497 1.00 0.00 N ATOM 530 CA GLU A 32 -11.924 1.392 -16.139 1.00 0.00 C ATOM 531 C GLU A 32 -11.481 0.545 -14.944 1.00 0.00 C ATOM 532 O GLU A 32 -10.406 -0.035 -14.974 1.00 0.00 O ATOM 533 CB GLU A 32 -11.774 2.883 -15.813 1.00 0.00 C ATOM 534 CG GLU A 32 -10.337 3.361 -15.635 1.00 0.00 C ATOM 535 CD GLU A 32 -9.698 3.807 -16.926 1.00 0.00 C ATOM 536 OE1 GLU A 32 -9.433 2.983 -17.810 1.00 0.00 O ATOM 537 OE2 GLU A 32 -9.480 5.002 -17.079 1.00 0.00 O ATOM 0 H GLU A 32 -13.982 1.773 -16.136 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.288 1.150 -16.990 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.238 3.463 -16.611 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.328 3.098 -14.899 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.321 4.187 -14.924 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.744 2.556 -15.202 1.00 0.00 H new ATOM 544 N LEU A 33 -12.317 0.408 -13.910 1.00 0.00 N ATOM 545 CA LEU A 33 -11.994 -0.375 -12.712 1.00 0.00 C ATOM 546 C LEU A 33 -11.648 -1.839 -13.031 1.00 0.00 C ATOM 547 O LEU A 33 -10.693 -2.369 -12.473 1.00 0.00 O ATOM 548 CB LEU A 33 -13.133 -0.291 -11.686 1.00 0.00 C ATOM 549 CG LEU A 33 -13.430 1.106 -11.112 1.00 0.00 C ATOM 550 CD1 LEU A 33 -14.582 1.020 -10.118 1.00 0.00 C ATOM 551 CD2 LEU A 33 -12.233 1.711 -10.386 1.00 0.00 C ATOM 0 H LEU A 33 -13.241 0.839 -13.880 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.097 0.068 -12.279 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.042 -0.670 -12.152 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.897 -0.959 -10.857 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.679 1.743 -11.960 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.789 2.011 -9.714 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -15.471 0.641 -10.623 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -14.312 0.346 -9.305 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.500 2.696 -10.002 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.945 1.064 -9.557 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.397 1.806 -11.079 1.00 0.00 H new ATOM 563 N ALA A 34 -12.344 -2.458 -13.987 1.00 0.00 N ATOM 564 CA ALA A 34 -12.066 -3.801 -14.501 1.00 0.00 C ATOM 565 C ALA A 34 -10.678 -3.996 -15.149 1.00 0.00 C ATOM 566 O ALA A 34 -10.290 -5.120 -15.448 1.00 0.00 O ATOM 567 CB ALA A 34 -13.170 -4.179 -15.467 1.00 0.00 C ATOM 0 H ALA A 34 -13.146 -2.022 -14.441 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.042 -4.464 -13.636 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.982 -5.177 -15.862 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -14.128 -4.169 -14.947 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.196 -3.463 -16.288 1.00 0.00 H new ATOM 573 N ARG A 35 -9.920 -2.920 -15.347 1.00 0.00 N ATOM 574 CA ARG A 35 -8.545 -2.907 -15.862 1.00 0.00 C ATOM 575 C ARG A 35 -7.606 -2.000 -15.050 1.00 0.00 C ATOM 576 O ARG A 35 -6.543 -1.655 -15.536 1.00 0.00 O ATOM 577 CB ARG A 35 -8.562 -2.577 -17.367 1.00 0.00 C ATOM 578 CG ARG A 35 -9.073 -1.168 -17.686 1.00 0.00 C ATOM 579 CD ARG A 35 -9.032 -0.840 -19.169 1.00 0.00 C ATOM 580 NE ARG A 35 -9.303 0.578 -19.402 1.00 0.00 N ATOM 581 CZ ARG A 35 -9.448 1.212 -20.537 1.00 0.00 C ATOM 582 NH1 ARG A 35 -9.482 0.644 -21.691 1.00 0.00 N ATOM 583 NH2 ARG A 35 -9.571 2.491 -20.520 1.00 0.00 N ATOM 0 H ARG A 35 -10.263 -1.981 -15.143 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.123 -3.904 -15.739 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.553 -2.686 -17.765 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.188 -3.306 -17.882 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.097 -1.070 -17.327 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.473 -0.439 -17.142 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.054 -1.098 -19.575 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.767 -1.446 -19.699 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.391 1.152 -18.564 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.393 -0.369 -21.763 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.598 1.207 -22.533 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.555 2.993 -19.632 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.685 3.004 -21.394 1.00 0.00 H new ATOM 597 N LEU A 36 -7.973 -1.613 -13.829 1.00 0.00 N ATOM 598 CA LEU A 36 -7.217 -0.670 -12.988 1.00 0.00 C ATOM 599 C LEU A 36 -7.127 -1.070 -11.505 1.00 0.00 C ATOM 600 O LEU A 36 -6.115 -0.783 -10.876 1.00 0.00 O ATOM 601 CB LEU A 36 -7.821 0.736 -13.160 1.00 0.00 C ATOM 602 CG LEU A 36 -7.001 1.890 -12.568 1.00 0.00 C ATOM 603 CD1 LEU A 36 -5.658 2.042 -13.239 1.00 0.00 C ATOM 604 CD2 LEU A 36 -7.749 3.202 -12.729 1.00 0.00 C ATOM 0 H LEU A 36 -8.824 -1.952 -13.381 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.183 -0.685 -13.331 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.961 0.923 -14.225 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.810 0.745 -12.702 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.847 1.651 -11.516 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.116 2.871 -12.785 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.084 1.123 -13.117 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.802 2.241 -14.301 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.157 4.013 -12.305 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.922 3.394 -13.788 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.706 3.142 -12.210 1.00 0.00 H new ATOM 616 N ILE A 37 -8.100 -1.794 -10.943 1.00 0.00 N ATOM 617 CA ILE A 37 -7.991 -2.356 -9.579 1.00 0.00 C ATOM 618 C ILE A 37 -6.781 -3.299 -9.461 1.00 0.00 C ATOM 619 O ILE A 37 -6.101 -3.311 -8.441 1.00 0.00 O ATOM 620 CB ILE A 37 -9.320 -3.006 -9.130 1.00 0.00 C ATOM 621 CG1 ILE A 37 -10.385 -1.909 -8.956 1.00 0.00 C ATOM 622 CG2 ILE A 37 -9.167 -3.801 -7.832 1.00 0.00 C ATOM 623 CD1 ILE A 37 -11.774 -2.383 -8.590 1.00 0.00 C ATOM 0 H ILE A 37 -8.981 -2.010 -11.410 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.807 -1.537 -8.883 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.628 -3.712 -9.902 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.044 -1.219 -8.185 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.449 -1.343 -9.885 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.127 -4.238 -7.558 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.434 -4.595 -7.976 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.830 -3.137 -7.036 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.438 -1.524 -8.494 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.149 -3.047 -9.369 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.737 -2.920 -7.642 1.00 0.00 H new ATOM 635 N GLN A 38 -6.424 -3.992 -10.540 1.00 0.00 N ATOM 636 CA GLN A 38 -5.177 -4.743 -10.694 1.00 0.00 C ATOM 637 C GLN A 38 -3.899 -3.980 -10.304 1.00 0.00 C ATOM 638 O GLN A 38 -2.927 -4.599 -9.881 1.00 0.00 O ATOM 639 CB GLN A 38 -5.079 -5.259 -12.131 1.00 0.00 C ATOM 640 CG GLN A 38 -5.071 -4.185 -13.210 1.00 0.00 C ATOM 641 CD GLN A 38 -4.972 -4.756 -14.603 1.00 0.00 C ATOM 642 OE1 GLN A 38 -5.542 -5.706 -14.949 1.00 0.00 O ATOM 643 NE2 GLN A 38 -4.253 -4.204 -15.460 1.00 0.00 N ATOM 0 H GLN A 38 -7.020 -4.049 -11.366 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.229 -5.567 -9.982 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.169 -5.852 -12.225 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.918 -5.930 -12.316 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.981 -3.590 -13.130 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.232 -3.510 -13.038 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.726 -3.365 -15.219 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.192 -4.592 -16.401 1.00 0.00 H new ATOM 652 N GLU A 39 -3.884 -2.653 -10.424 1.00 0.00 N ATOM 653 CA GLU A 39 -2.724 -1.819 -10.114 1.00 0.00 C ATOM 654 C GLU A 39 -2.612 -1.493 -8.617 1.00 0.00 C ATOM 655 O GLU A 39 -1.506 -1.467 -8.090 1.00 0.00 O ATOM 656 CB GLU A 39 -2.788 -0.542 -10.969 1.00 0.00 C ATOM 657 CG GLU A 39 -1.470 0.236 -11.030 1.00 0.00 C ATOM 658 CD GLU A 39 -0.311 -0.586 -11.592 1.00 0.00 C ATOM 659 OE1 GLU A 39 -0.488 -1.345 -12.542 1.00 0.00 O ATOM 660 OE2 GLU A 39 0.798 -0.505 -11.058 1.00 0.00 O ATOM 0 H GLU A 39 -4.691 -2.119 -10.745 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.821 -2.378 -10.359 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.086 -0.811 -11.982 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.565 0.111 -10.571 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.608 1.125 -11.645 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.211 0.579 -10.028 1.00 0.00 H new ATOM 667 N ILE A 40 -3.726 -1.321 -7.905 1.00 0.00 N ATOM 668 CA ILE A 40 -3.717 -1.224 -6.434 1.00 0.00 C ATOM 669 C ILE A 40 -3.550 -2.592 -5.767 1.00 0.00 C ATOM 670 O ILE A 40 -2.857 -2.682 -4.765 1.00 0.00 O ATOM 671 CB ILE A 40 -4.918 -0.444 -5.857 1.00 0.00 C ATOM 672 CG1 ILE A 40 -6.294 -0.980 -6.285 1.00 0.00 C ATOM 673 CG2 ILE A 40 -4.755 1.037 -6.208 1.00 0.00 C ATOM 674 CD1 ILE A 40 -7.469 -0.412 -5.506 1.00 0.00 C ATOM 0 H ILE A 40 -4.654 -1.245 -8.321 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.836 -0.631 -6.188 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.905 -0.583 -4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.439 -0.764 -7.343 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.295 -2.065 -6.178 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.597 1.601 -5.806 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.827 1.413 -5.777 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.724 1.153 -7.291 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.397 -0.848 -5.877 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.354 -0.651 -4.449 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.500 0.670 -5.632 1.00 0.00 H new ATOM 686 N VAL A 41 -4.063 -3.672 -6.365 1.00 0.00 N ATOM 687 CA VAL A 41 -3.705 -5.049 -5.983 1.00 0.00 C ATOM 688 C VAL A 41 -2.198 -5.260 -6.121 1.00 0.00 C ATOM 689 O VAL A 41 -1.576 -5.731 -5.178 1.00 0.00 O ATOM 690 CB VAL A 41 -4.506 -6.092 -6.786 1.00 0.00 C ATOM 691 CG1 VAL A 41 -4.013 -7.521 -6.583 1.00 0.00 C ATOM 692 CG2 VAL A 41 -5.981 -6.068 -6.390 1.00 0.00 C ATOM 0 H VAL A 41 -4.738 -3.620 -7.128 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.974 -5.193 -4.936 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.366 -5.813 -7.830 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.621 -8.203 -7.177 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.972 -7.595 -6.898 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.093 -7.787 -5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.526 -6.813 -6.970 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.076 -6.295 -5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.395 -5.079 -6.589 1.00 0.00 H new ATOM 702 N LYS A 42 -1.580 -4.839 -7.233 1.00 0.00 N ATOM 703 CA LYS A 42 -0.121 -4.899 -7.410 1.00 0.00 C ATOM 704 C LYS A 42 0.645 -4.036 -6.406 1.00 0.00 C ATOM 705 O LYS A 42 1.693 -4.463 -5.965 1.00 0.00 O ATOM 706 CB LYS A 42 0.268 -4.602 -8.862 1.00 0.00 C ATOM 707 CG LYS A 42 1.739 -4.883 -9.151 1.00 0.00 C ATOM 708 CD LYS A 42 2.065 -5.012 -10.637 1.00 0.00 C ATOM 709 CE LYS A 42 1.665 -3.799 -11.465 1.00 0.00 C ATOM 710 NZ LYS A 42 2.535 -2.639 -11.253 1.00 0.00 N ATOM 0 H LYS A 42 -2.075 -4.448 -8.034 1.00 0.00 H new ATOM 0 HA LYS A 42 0.183 -5.923 -7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.350 -5.204 -9.529 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.052 -3.557 -9.084 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.342 -4.081 -8.725 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.029 -5.803 -8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.136 -5.180 -10.750 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.561 -5.893 -11.034 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.681 -4.068 -12.521 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.639 -3.524 -11.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.953 -1.787 -11.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.116 -2.791 -10.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.155 -2.514 -12.079 1.00 0.00 H new ATOM 724 N ALA A 43 0.124 -2.885 -5.983 1.00 0.00 N ATOM 725 CA ALA A 43 0.752 -2.058 -4.950 1.00 0.00 C ATOM 726 C ALA A 43 0.883 -2.792 -3.604 1.00 0.00 C ATOM 727 O ALA A 43 1.932 -2.733 -2.982 1.00 0.00 O ATOM 728 CB ALA A 43 -0.014 -0.744 -4.793 1.00 0.00 C ATOM 0 H ALA A 43 -0.747 -2.498 -6.347 1.00 0.00 H new ATOM 0 HA ALA A 43 1.768 -1.839 -5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.461 -0.136 -4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.006 -0.203 -5.739 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.044 -0.955 -4.505 1.00 0.00 H new ATOM 734 N GLU A 44 -0.145 -3.525 -3.172 1.00 0.00 N ATOM 735 CA GLU A 44 -0.078 -4.378 -1.999 1.00 0.00 C ATOM 736 C GLU A 44 0.756 -5.653 -2.230 1.00 1.00 C ATOM 737 O GLU A 44 1.573 -6.010 -1.398 1.00 1.00 O ATOM 738 CB GLU A 44 -1.510 -4.746 -1.597 1.00 1.00 C ATOM 739 CG GLU A 44 -2.560 -3.620 -1.419 1.00 1.00 C ATOM 740 CD GLU A 44 -2.280 -2.467 -0.458 1.00 1.00 C ATOM 741 OE1 GLU A 44 -1.387 -2.625 0.466 1.00 1.00 O ATOM 742 OE2 GLU A 44 -2.969 -1.439 -0.519 1.00 1.00 O ATOM 0 H GLU A 44 -1.053 -3.539 -3.636 1.00 0.00 H new ATOM 0 HA GLU A 44 0.425 -3.829 -1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.894 -5.437 -2.348 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -1.456 -5.295 -0.657 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -2.742 -3.187 -2.402 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -3.490 -4.090 -1.101 1.00 1.00 H new ATOM 749 N LYS A 45 0.597 -6.315 -3.379 1.00 0.00 N ATOM 750 CA LYS A 45 1.305 -7.543 -3.773 1.00 0.00 C ATOM 751 C LYS A 45 2.821 -7.366 -3.827 1.00 0.00 C ATOM 752 O LYS A 45 3.555 -8.223 -3.347 1.00 0.00 O ATOM 753 CB LYS A 45 0.740 -8.022 -5.112 1.00 0.00 C ATOM 754 CG LYS A 45 1.142 -9.433 -5.478 1.00 0.00 C ATOM 755 CD LYS A 45 0.629 -9.868 -6.830 1.00 0.00 C ATOM 756 CE LYS A 45 1.033 -11.294 -7.098 1.00 0.00 C ATOM 757 NZ LYS A 45 0.788 -11.718 -8.472 1.00 0.00 N ATOM 0 H LYS A 45 -0.057 -5.998 -4.094 1.00 0.00 H new ATOM 0 HA LYS A 45 1.136 -8.301 -3.009 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.348 -7.962 -5.078 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.072 -7.345 -5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.229 -9.508 -5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.769 -10.119 -4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.457 -9.776 -6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.028 -9.216 -7.607 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.093 -11.412 -6.873 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.488 -11.951 -6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.088 -12.707 -8.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.227 -11.636 -8.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.328 -11.113 -9.123 1.00 0.00 H new ATOM 771 N GLN A 46 3.290 -6.247 -4.372 1.00 0.00 N ATOM 772 CA GLN A 46 4.686 -5.826 -4.318 1.00 0.00 C ATOM 773 C GLN A 46 5.125 -5.553 -2.884 1.00 0.00 C ATOM 774 O GLN A 46 6.180 -5.978 -2.507 1.00 0.00 O ATOM 775 CB GLN A 46 4.896 -4.569 -5.169 1.00 0.00 C ATOM 776 CG GLN A 46 4.924 -4.819 -6.675 1.00 0.00 C ATOM 777 CD GLN A 46 6.215 -5.444 -7.172 1.00 0.00 C ATOM 778 OE1 GLN A 46 7.291 -5.216 -6.677 1.00 0.00 O ATOM 779 NE2 GLN A 46 6.171 -6.286 -8.147 1.00 0.00 N ATOM 0 H GLN A 46 2.694 -5.591 -4.877 1.00 0.00 H new ATOM 0 HA GLN A 46 5.294 -6.638 -4.716 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.100 -3.858 -4.947 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.834 -4.099 -4.874 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.091 -5.470 -6.941 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.767 -3.873 -7.193 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.280 -6.505 -8.592 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.028 -6.733 -8.474 1.00 0.00 H new ATOM 788 N ALA A 47 4.332 -4.875 -2.071 1.00 0.00 N ATOM 789 CA ALA A 47 4.706 -4.531 -0.706 1.00 0.00 C ATOM 790 C ALA A 47 4.910 -5.770 0.173 1.00 0.00 C ATOM 791 O ALA A 47 5.974 -5.910 0.768 1.00 0.00 O ATOM 792 CB ALA A 47 3.684 -3.563 -0.115 1.00 0.00 C ATOM 0 H ALA A 47 3.405 -4.545 -2.339 1.00 0.00 H new ATOM 0 HA ALA A 47 5.674 -4.030 -0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.970 -3.310 0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.651 -2.656 -0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.700 -4.031 -0.110 1.00 0.00 H new ATOM 798 N VAL A 48 3.965 -6.715 0.210 1.00 0.00 N ATOM 799 CA VAL A 48 4.111 -7.935 1.027 1.00 0.00 C ATOM 800 C VAL A 48 5.325 -8.786 0.652 1.00 0.00 C ATOM 801 O VAL A 48 5.862 -9.462 1.501 1.00 0.00 O ATOM 802 CB VAL A 48 2.849 -8.809 1.081 1.00 0.00 C ATOM 803 CG1 VAL A 48 1.682 -8.067 1.717 1.00 0.00 C ATOM 804 CG2 VAL A 48 2.427 -9.360 -0.273 1.00 0.00 C ATOM 0 H VAL A 48 3.091 -6.663 -0.313 1.00 0.00 H new ATOM 0 HA VAL A 48 4.277 -7.543 2.030 1.00 0.00 H new ATOM 0 HB VAL A 48 3.122 -9.661 1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.806 -8.716 1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.945 -7.779 2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.457 -7.174 1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.529 -9.967 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.220 -8.534 -0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.229 -9.974 -0.682 1.00 0.00 H new ATOM 814 N LYS A 49 5.799 -8.735 -0.588 1.00 0.00 N ATOM 815 CA LYS A 49 7.032 -9.403 -1.020 1.00 0.00 C ATOM 816 C LYS A 49 8.283 -8.614 -0.654 1.00 0.00 C ATOM 817 O LYS A 49 9.180 -9.176 -0.039 1.00 0.00 O ATOM 818 CB LYS A 49 6.954 -9.706 -2.515 1.00 0.00 C ATOM 819 CG LYS A 49 8.151 -10.428 -3.049 1.00 0.00 C ATOM 820 CD LYS A 49 8.012 -11.055 -4.392 1.00 0.00 C ATOM 821 CE LYS A 49 9.167 -11.625 -4.961 1.00 0.00 C ATOM 822 NZ LYS A 49 9.163 -12.374 -6.138 1.00 0.00 N ATOM 0 H LYS A 49 5.334 -8.222 -1.337 1.00 0.00 H new ATOM 0 HA LYS A 49 7.118 -10.346 -0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.064 -10.305 -2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.833 -8.770 -3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.983 -9.725 -3.087 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.424 -11.207 -2.337 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.251 -11.832 -4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.635 -10.298 -5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.865 -10.803 -5.124 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.602 -12.265 -4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.131 -12.686 -6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.550 -13.206 -6.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.805 -11.790 -6.920 1.00 0.00 H new ATOM 836 N VAL A 50 8.350 -7.329 -1.000 1.00 0.00 N ATOM 837 CA VAL A 50 9.554 -6.508 -0.795 1.00 0.00 C ATOM 838 C VAL A 50 9.803 -6.235 0.684 1.00 0.00 C ATOM 839 O VAL A 50 10.938 -6.366 1.113 1.00 0.00 O ATOM 840 CB VAL A 50 9.529 -5.198 -1.600 1.00 0.00 C ATOM 841 CG1 VAL A 50 10.831 -4.410 -1.467 1.00 0.00 C ATOM 842 CG2 VAL A 50 9.347 -5.452 -3.084 1.00 0.00 C ATOM 0 H VAL A 50 7.575 -6.824 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 50 10.388 -7.096 -1.177 1.00 0.00 H new ATOM 0 HB VAL A 50 8.692 -4.635 -1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.763 -3.494 -2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.999 -4.159 -0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.661 -5.014 -1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.335 -4.501 -3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.171 -6.064 -3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.405 -5.974 -3.251 1.00 0.00 H new ATOM 852 N TYR A 51 8.782 -5.940 1.496 1.00 0.00 N ATOM 853 CA TYR A 51 8.951 -5.755 2.943 1.00 0.00 C ATOM 854 C TYR A 51 9.412 -7.043 3.650 1.00 0.00 C ATOM 855 O TYR A 51 10.252 -6.973 4.534 1.00 0.00 O ATOM 856 CB TYR A 51 7.667 -5.221 3.597 1.00 0.00 C ATOM 857 CG TYR A 51 7.413 -3.728 3.491 1.00 0.00 C ATOM 858 CD1 TYR A 51 6.791 -3.177 2.396 1.00 0.00 C ATOM 859 CD2 TYR A 51 7.746 -2.888 4.530 1.00 0.00 C ATOM 860 CE1 TYR A 51 6.506 -1.806 2.323 1.00 0.00 C ATOM 861 CE2 TYR A 51 7.498 -1.509 4.455 1.00 0.00 C ATOM 862 CZ TYR A 51 6.882 -0.964 3.341 1.00 0.00 C ATOM 863 OH TYR A 51 6.651 0.362 3.249 1.00 0.00 O ATOM 0 H TYR A 51 7.822 -5.823 1.173 1.00 0.00 H new ATOM 0 HA TYR A 51 9.739 -5.011 3.065 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.818 -5.742 3.154 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.688 -5.488 4.654 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.515 -3.816 1.571 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.206 -3.297 5.417 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.988 -1.410 1.462 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.790 -0.867 5.273 1.00 0.00 H new ATOM 0 HH TYR A 51 6.022 0.535 2.517 1.00 0.00 H new ATOM 873 N LYS A 52 8.928 -8.225 3.249 1.00 0.00 N ATOM 874 CA LYS A 52 9.398 -9.514 3.793 1.00 0.00 C ATOM 875 C LYS A 52 10.858 -9.808 3.429 1.00 0.00 C ATOM 876 O LYS A 52 11.613 -10.289 4.266 1.00 0.00 O ATOM 877 CB LYS A 52 8.461 -10.647 3.347 1.00 0.00 C ATOM 878 CG LYS A 52 8.793 -11.968 4.021 1.00 0.00 C ATOM 879 CD LYS A 52 8.041 -13.162 3.492 1.00 0.00 C ATOM 880 CE LYS A 52 8.406 -14.418 4.211 1.00 0.00 C ATOM 881 NZ LYS A 52 8.021 -15.630 3.506 1.00 0.00 N ATOM 0 H LYS A 52 8.201 -8.319 2.540 1.00 0.00 H new ATOM 0 HA LYS A 52 9.369 -9.446 4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.431 -10.374 3.575 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.528 -10.766 2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.862 -12.154 3.914 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.591 -11.875 5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.969 -12.987 3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.250 -13.280 2.429 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.483 -14.431 4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.933 -14.414 5.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.305 -16.461 4.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.990 -15.640 3.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.492 -15.657 2.579 1.00 0.00 H new ATOM 895 N GLU A 53 11.268 -9.499 2.203 1.00 0.00 N ATOM 896 CA GLU A 53 12.660 -9.612 1.763 1.00 0.00 C ATOM 897 C GLU A 53 13.560 -8.571 2.452 1.00 0.00 C ATOM 898 O GLU A 53 14.663 -8.892 2.873 1.00 0.00 O ATOM 899 CB GLU A 53 12.699 -9.474 0.236 1.00 0.00 C ATOM 900 CG GLU A 53 14.014 -9.915 -0.402 1.00 0.00 C ATOM 901 CD GLU A 53 14.214 -11.420 -0.399 1.00 0.00 C ATOM 902 OE1 GLU A 53 13.385 -12.135 -0.945 1.00 0.00 O ATOM 903 OE2 GLU A 53 15.221 -11.915 0.109 1.00 0.00 O ATOM 0 H GLU A 53 10.638 -9.159 1.476 1.00 0.00 H new ATOM 0 HA GLU A 53 13.054 -10.587 2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.887 -10.062 -0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.512 -8.433 -0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.049 -9.554 -1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 53 14.842 -9.445 0.129 1.00 0.00 H new ATOM 910 N ALA A 54 13.074 -7.343 2.648 1.00 0.00 N ATOM 911 CA ALA A 54 13.765 -6.284 3.374 1.00 0.00 C ATOM 912 C ALA A 54 13.979 -6.607 4.856 1.00 0.00 C ATOM 913 O ALA A 54 15.020 -6.244 5.394 1.00 0.00 O ATOM 914 CB ALA A 54 13.013 -4.972 3.202 1.00 0.00 C ATOM 0 H ALA A 54 12.162 -7.053 2.294 1.00 0.00 H new ATOM 0 HA ALA A 54 14.763 -6.194 2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.531 -4.182 3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.967 -4.715 2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 54 12.001 -5.078 3.594 1.00 0.00 H new ATOM 920 N ALA A 55 13.059 -7.327 5.503 1.00 0.00 N ATOM 921 CA ALA A 55 13.256 -7.865 6.848 1.00 0.00 C ATOM 922 C ALA A 55 14.402 -8.888 6.917 1.00 0.00 C ATOM 923 O ALA A 55 15.112 -8.931 7.898 1.00 0.00 O ATOM 924 CB ALA A 55 11.949 -8.469 7.353 1.00 0.00 C ATOM 0 H ALA A 55 12.149 -7.554 5.103 1.00 0.00 H new ATOM 0 HA ALA A 55 13.549 -7.039 7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 55 12.097 -8.870 8.356 1.00 0.00 H new ATOM 0 HB2 ALA A 55 11.179 -7.698 7.380 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.636 -9.271 6.684 1.00 0.00 H new ATOM 930 N GLU A 56 14.633 -9.678 5.876 1.00 0.00 N ATOM 931 CA GLU A 56 15.776 -10.592 5.783 1.00 0.00 C ATOM 932 C GLU A 56 17.098 -9.853 5.515 1.00 0.00 C ATOM 933 O GLU A 56 18.150 -10.271 5.985 1.00 0.00 O ATOM 934 CB GLU A 56 15.485 -11.656 4.718 1.00 0.00 C ATOM 935 CG GLU A 56 16.437 -12.833 4.775 1.00 0.00 C ATOM 936 CD GLU A 56 16.101 -13.921 3.771 1.00 0.00 C ATOM 937 OE1 GLU A 56 15.014 -14.482 3.814 1.00 0.00 O ATOM 938 OE2 GLU A 56 16.932 -14.257 2.934 1.00 0.00 O ATOM 0 H GLU A 56 14.025 -9.706 5.057 1.00 0.00 H new ATOM 0 HA GLU A 56 15.907 -11.083 6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.464 -12.016 4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.543 -11.198 3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.452 -12.480 4.593 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.422 -13.257 5.779 1.00 0.00 H new ATOM 945 N LYS A 57 17.050 -8.723 4.808 1.00 0.00 N ATOM 946 CA LYS A 57 18.184 -7.818 4.546 1.00 0.00 C ATOM 947 C LYS A 57 18.476 -6.826 5.681 1.00 0.00 C ATOM 948 O LYS A 57 19.428 -6.065 5.588 1.00 0.00 O ATOM 949 CB LYS A 57 17.920 -7.053 3.248 1.00 0.00 C ATOM 950 CG LYS A 57 17.865 -7.959 2.024 1.00 0.00 C ATOM 951 CD LYS A 57 17.467 -7.175 0.790 1.00 0.00 C ATOM 952 CE LYS A 57 17.529 -8.030 -0.462 1.00 0.00 C ATOM 953 NZ LYS A 57 17.113 -7.261 -1.638 1.00 0.00 N ATOM 0 H LYS A 57 16.184 -8.394 4.381 1.00 0.00 H new ATOM 0 HA LYS A 57 19.071 -8.446 4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 57 16.977 -6.513 3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 57 18.702 -6.307 3.107 1.00 0.00 H new ATOM 0 HG2 LYS A 57 18.838 -8.424 1.866 1.00 0.00 H new ATOM 0 HG3 LYS A 57 17.151 -8.765 2.194 1.00 0.00 H new ATOM 0 HD2 LYS A 57 16.456 -6.787 0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 57 18.127 -6.315 0.677 1.00 0.00 H new ATOM 0 HE2 LYS A 57 18.544 -8.401 -0.605 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.885 -8.901 -0.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.163 -7.865 -2.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.136 -6.928 -1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.744 -6.443 -1.759 1.00 0.00 H new ATOM 967 N ALA A 58 17.671 -6.804 6.731 1.00 0.00 N ATOM 968 CA ALA A 58 17.817 -5.896 7.855 1.00 0.00 C ATOM 969 C ALA A 58 19.096 -6.154 8.652 1.00 0.00 C ATOM 970 O ALA A 58 19.396 -7.297 8.977 1.00 0.00 O ATOM 971 CB ALA A 58 16.590 -6.021 8.736 1.00 0.00 C ATOM 0 H ALA A 58 16.876 -7.436 6.827 1.00 0.00 H new ATOM 0 HA ALA A 58 17.902 -4.879 7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 58 16.682 -5.345 9.586 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.701 -5.761 8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.503 -7.046 9.095 1.00 0.00 H new ATOM 977 N ARG A 59 19.835 -5.093 8.985 1.00 0.00 N ATOM 978 CA ARG A 59 21.091 -5.122 9.757 1.00 0.00 C ATOM 979 C ARG A 59 21.250 -3.926 10.709 1.00 0.00 C ATOM 980 O ARG A 59 22.303 -3.759 11.307 1.00 0.00 O ATOM 981 CB ARG A 59 22.302 -5.230 8.813 1.00 0.00 C ATOM 982 CG ARG A 59 22.403 -6.491 7.942 1.00 0.00 C ATOM 983 CD ARG A 59 22.575 -7.789 8.732 1.00 0.00 C ATOM 984 NE ARG A 59 22.718 -8.955 7.848 1.00 0.00 N ATOM 985 CZ ARG A 59 21.775 -9.668 7.278 1.00 0.00 C ATOM 986 NH1 ARG A 59 20.518 -9.455 7.472 1.00 0.00 N ATOM 987 NH2 ARG A 59 22.090 -10.622 6.465 1.00 0.00 N ATOM 0 H ARG A 59 19.567 -4.147 8.715 1.00 0.00 H new ATOM 0 HA ARG A 59 21.044 -6.010 10.388 1.00 0.00 H new ATOM 0 HB2 ARG A 59 22.294 -4.363 8.152 1.00 0.00 H new ATOM 0 HB3 ARG A 59 23.207 -5.163 9.416 1.00 0.00 H new ATOM 0 HG2 ARG A 59 21.505 -6.568 7.330 1.00 0.00 H new ATOM 0 HG3 ARG A 59 23.246 -6.380 7.259 1.00 0.00 H new ATOM 0 HD2 ARG A 59 23.453 -7.710 9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 59 21.715 -7.933 9.386 1.00 0.00 H new ATOM 0 HE ARG A 59 23.675 -9.248 7.652 1.00 0.00 H new ATOM 0 HH11 ARG A 59 20.218 -8.703 8.093 1.00 0.00 H new ATOM 0 HH12 ARG A 59 19.824 -10.038 7.005 1.00 0.00 H new ATOM 0 HH21 ARG A 59 23.071 -10.820 6.267 1.00 0.00 H new ATOM 0 HH22 ARG A 59 21.358 -11.177 6.022 1.00 0.00 H new ATOM 1001 N ASN A 60 20.229 -3.094 10.866 1.00 0.00 N ATOM 1002 CA ASN A 60 20.220 -1.929 11.748 1.00 0.00 C ATOM 1003 C ASN A 60 18.843 -1.777 12.433 1.00 0.00 C ATOM 1004 O ASN A 60 17.854 -1.597 11.734 1.00 0.00 O ATOM 1005 CB ASN A 60 20.576 -0.691 10.917 1.00 0.00 C ATOM 1006 CG ASN A 60 20.466 0.574 11.732 1.00 0.00 C ATOM 1007 OD1 ASN A 60 19.501 1.304 11.677 1.00 0.00 O ATOM 1008 ND2 ASN A 60 21.422 0.844 12.557 1.00 0.00 N ATOM 0 H ASN A 60 19.349 -3.215 10.364 1.00 0.00 H new ATOM 0 HA ASN A 60 20.957 -2.052 12.541 1.00 0.00 H new ATOM 0 HB2 ASN A 60 21.591 -0.790 10.532 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.913 -0.628 10.054 1.00 0.00 H new ATOM 0 HD21 ASN A 60 21.361 1.667 13.156 1.00 0.00 H new ATOM 0 HD22 ASN A 60 22.238 0.234 12.609 1.00 0.00 H new ATOM 1015 N PRO A 61 18.750 -1.826 13.774 1.00 0.00 N ATOM 1016 CA PRO A 61 17.490 -1.733 14.510 1.00 0.00 C ATOM 1017 C PRO A 61 16.603 -0.531 14.180 1.00 0.00 C ATOM 1018 O PRO A 61 15.400 -0.674 14.173 1.00 0.00 O ATOM 1019 CB PRO A 61 17.870 -1.732 15.987 1.00 0.00 C ATOM 1020 CG PRO A 61 19.178 -2.470 16.014 1.00 0.00 C ATOM 1021 CD PRO A 61 19.821 -2.123 14.689 1.00 0.00 C ATOM 0 HA PRO A 61 16.868 -2.579 14.218 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.973 -0.718 16.374 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.116 -2.230 16.596 1.00 0.00 H new ATOM 0 HG2 PRO A 61 19.797 -2.154 16.853 1.00 0.00 H new ATOM 0 HG3 PRO A 61 19.028 -3.545 16.116 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.488 -1.267 14.795 1.00 0.00 H new ATOM 0 HD3 PRO A 61 20.424 -2.954 14.322 1.00 0.00 H new ATOM 1029 N GLU A 62 17.158 0.640 13.893 1.00 0.00 N ATOM 1030 CA GLU A 62 16.378 1.837 13.565 1.00 0.00 C ATOM 1031 C GLU A 62 15.839 1.819 12.133 1.00 0.00 C ATOM 1032 O GLU A 62 14.679 2.129 11.926 1.00 0.00 O ATOM 1033 CB GLU A 62 17.184 3.104 13.873 1.00 0.00 C ATOM 1034 CG GLU A 62 17.057 3.434 15.346 1.00 0.00 C ATOM 1035 CD GLU A 62 17.976 4.528 15.837 1.00 0.00 C ATOM 1036 OE1 GLU A 62 17.746 5.696 15.527 1.00 0.00 O ATOM 1037 OE2 GLU A 62 18.908 4.218 16.584 1.00 0.00 O ATOM 0 H GLU A 62 18.167 0.792 13.880 1.00 0.00 H new ATOM 0 HA GLU A 62 15.495 1.839 14.204 1.00 0.00 H new ATOM 0 HB2 GLU A 62 18.232 2.955 13.611 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.820 3.936 13.270 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.027 3.727 15.550 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.252 2.530 15.923 1.00 0.00 H new ATOM 1044 N LYS A 63 16.602 1.351 11.147 1.00 0.00 N ATOM 1045 CA LYS A 63 16.104 1.090 9.782 1.00 0.00 C ATOM 1046 C LYS A 63 15.213 -0.157 9.673 1.00 0.00 C ATOM 1047 O LYS A 63 14.601 -0.377 8.631 1.00 0.00 O ATOM 1048 CB LYS A 63 17.278 1.080 8.795 1.00 0.00 C ATOM 1049 CG LYS A 63 17.726 2.513 8.516 1.00 0.00 C ATOM 1050 CD LYS A 63 18.966 2.604 7.633 1.00 0.00 C ATOM 1051 CE LYS A 63 19.137 3.979 6.991 1.00 0.00 C ATOM 1052 NZ LYS A 63 19.173 5.080 7.965 1.00 0.00 N ATOM 0 H LYS A 63 17.592 1.138 11.266 1.00 0.00 H new ATOM 0 HA LYS A 63 15.436 1.909 9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 63 18.106 0.503 9.206 1.00 0.00 H new ATOM 0 HB3 LYS A 63 16.981 0.594 7.866 1.00 0.00 H new ATOM 0 HG2 LYS A 63 16.909 3.054 8.038 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.927 3.013 9.463 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.849 2.375 8.230 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.905 1.848 6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 63 20.059 3.988 6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.318 4.149 6.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.571 5.929 7.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.208 5.283 8.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.766 4.808 8.775 1.00 0.00 H new ATOM 1066 N ARG A 64 15.073 -0.929 10.752 1.00 0.00 N ATOM 1067 CA ARG A 64 14.112 -2.033 10.935 1.00 0.00 C ATOM 1068 C ARG A 64 12.884 -1.641 11.770 1.00 0.00 C ATOM 1069 O ARG A 64 11.970 -2.426 11.881 1.00 0.00 O ATOM 1070 CB ARG A 64 14.864 -3.227 11.544 1.00 0.00 C ATOM 1071 CG ARG A 64 14.116 -4.545 11.454 1.00 0.00 C ATOM 1072 CD ARG A 64 14.838 -5.676 12.148 1.00 0.00 C ATOM 1073 NE ARG A 64 14.037 -6.895 12.171 1.00 0.00 N ATOM 1074 CZ ARG A 64 14.306 -8.012 12.791 1.00 0.00 C ATOM 1075 NH1 ARG A 64 15.389 -8.204 13.459 1.00 0.00 N ATOM 1076 NH2 ARG A 64 13.462 -8.975 12.748 1.00 0.00 N ATOM 0 H ARG A 64 15.661 -0.797 11.575 1.00 0.00 H new ATOM 0 HA ARG A 64 13.705 -2.304 9.961 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.825 -3.332 11.040 1.00 0.00 H new ATOM 0 HB3 ARG A 64 15.075 -3.013 12.592 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.126 -4.427 11.895 1.00 0.00 H new ATOM 0 HG3 ARG A 64 13.969 -4.803 10.405 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.782 -5.871 11.640 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.080 -5.381 13.169 1.00 0.00 H new ATOM 0 HE ARG A 64 13.166 -6.872 11.641 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.087 -7.463 13.522 1.00 0.00 H new ATOM 0 HH12 ARG A 64 15.549 -9.097 13.925 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.589 -8.865 12.232 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.663 -9.851 13.229 1.00 0.00 H new ATOM 1090 N GLN A 65 12.833 -0.455 12.363 1.00 0.00 N ATOM 1091 CA GLN A 65 11.839 -0.057 13.375 1.00 0.00 C ATOM 1092 C GLN A 65 10.374 0.009 12.899 1.00 0.00 C ATOM 1093 O GLN A 65 9.482 0.068 13.739 1.00 0.00 O ATOM 1094 CB GLN A 65 12.306 1.253 14.033 1.00 0.00 C ATOM 1095 CG GLN A 65 11.621 1.600 15.340 1.00 0.00 C ATOM 1096 CD GLN A 65 12.375 2.596 16.192 1.00 0.00 C ATOM 1097 OE1 GLN A 65 13.360 3.155 15.825 1.00 0.00 O ATOM 1098 NE2 GLN A 65 11.967 2.846 17.394 1.00 0.00 N ATOM 0 H GLN A 65 13.500 0.287 12.152 1.00 0.00 H new ATOM 0 HA GLN A 65 11.803 -0.863 14.108 1.00 0.00 H new ATOM 0 HB2 GLN A 65 13.380 1.189 14.210 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.147 2.071 13.330 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.631 2.001 15.123 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.475 0.685 15.914 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.128 2.391 17.753 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.485 3.498 17.983 1.00 0.00 H new ATOM 1107 N VAL A 66 10.092 -0.052 11.593 1.00 0.00 N ATOM 1108 CA VAL A 66 8.719 -0.050 11.048 1.00 0.00 C ATOM 1109 C VAL A 66 8.434 -1.102 9.967 1.00 0.00 C ATOM 1110 O VAL A 66 7.268 -1.271 9.633 1.00 0.00 O ATOM 1111 CB VAL A 66 8.274 1.348 10.569 1.00 0.00 C ATOM 1112 CG1 VAL A 66 8.456 2.419 11.632 1.00 0.00 C ATOM 1113 CG2 VAL A 66 8.960 1.807 9.294 1.00 0.00 C ATOM 0 H VAL A 66 10.813 -0.105 10.873 1.00 0.00 H new ATOM 0 HA VAL A 66 8.114 -0.341 11.906 1.00 0.00 H new ATOM 0 HB VAL A 66 7.212 1.223 10.359 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.127 3.381 11.239 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.864 2.164 12.511 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.508 2.481 11.909 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.595 2.797 9.021 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.037 1.849 9.455 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.740 1.105 8.490 1.00 0.00 H new ATOM 1123 N ILE A 67 9.426 -1.839 9.447 1.00 0.00 N ATOM 1124 CA ILE A 67 9.236 -2.848 8.380 1.00 0.00 C ATOM 1125 C ILE A 67 8.078 -3.806 8.695 1.00 0.00 C ATOM 1126 O ILE A 67 7.124 -3.890 7.939 1.00 0.00 O ATOM 1127 CB ILE A 67 10.539 -3.640 8.081 1.00 0.00 C ATOM 1128 CG1 ILE A 67 11.715 -2.799 7.584 1.00 0.00 C ATOM 1129 CG2 ILE A 67 10.323 -4.773 7.097 1.00 0.00 C ATOM 1130 CD1 ILE A 67 11.469 -1.909 6.391 1.00 0.00 C ATOM 0 H ILE A 67 10.395 -1.755 9.754 1.00 0.00 H new ATOM 0 HA ILE A 67 8.975 -2.293 7.479 1.00 0.00 H new ATOM 0 HB ILE A 67 10.805 -4.032 9.063 1.00 0.00 H new ATOM 0 HG12 ILE A 67 12.055 -2.173 8.409 1.00 0.00 H new ATOM 0 HG13 ILE A 67 12.534 -3.475 7.338 1.00 0.00 H new ATOM 0 HG21 ILE A 67 11.267 -5.291 6.926 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.593 -5.473 7.503 1.00 0.00 H new ATOM 0 HG23 ILE A 67 9.954 -4.370 6.154 1.00 0.00 H new ATOM 0 HD11 ILE A 67 12.384 -1.370 6.144 1.00 0.00 H new ATOM 0 HD12 ILE A 67 11.166 -2.518 5.539 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.679 -1.195 6.626 1.00 0.00 H new ATOM 1142 N ASP A 68 8.123 -4.488 9.832 1.00 0.00 N ATOM 1143 CA ASP A 68 7.099 -5.447 10.252 1.00 0.00 C ATOM 1144 C ASP A 68 5.746 -4.794 10.582 1.00 0.00 C ATOM 1145 O ASP A 68 4.710 -5.413 10.392 1.00 0.00 O ATOM 1146 CB ASP A 68 7.631 -6.222 11.453 1.00 0.00 C ATOM 1147 CG ASP A 68 6.708 -7.344 11.879 1.00 0.00 C ATOM 1148 OD1 ASP A 68 6.682 -8.380 11.214 1.00 0.00 O ATOM 1149 OD2 ASP A 68 6.027 -7.195 12.883 1.00 0.00 O ATOM 0 H ASP A 68 8.885 -4.391 10.503 1.00 0.00 H new ATOM 0 HA ASP A 68 6.902 -6.116 9.414 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.610 -6.635 11.209 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.773 -5.537 12.289 1.00 0.00 H new ATOM 1154 N LYS A 69 5.745 -3.542 11.044 1.00 0.00 N ATOM 1155 CA LYS A 69 4.541 -2.773 11.397 1.00 0.00 C ATOM 1156 C LYS A 69 3.761 -2.349 10.159 1.00 0.00 C ATOM 1157 O LYS A 69 2.561 -2.509 10.129 1.00 0.00 O ATOM 1158 CB LYS A 69 4.909 -1.552 12.258 1.00 0.00 C ATOM 1159 CG LYS A 69 5.608 -1.925 13.572 1.00 0.00 C ATOM 1160 CD LYS A 69 6.039 -0.686 14.349 1.00 0.00 C ATOM 1161 CE LYS A 69 6.861 -1.072 15.572 1.00 0.00 C ATOM 1162 NZ LYS A 69 7.789 -0.004 15.969 1.00 0.00 N ATOM 0 H LYS A 69 6.607 -3.016 11.189 1.00 0.00 H new ATOM 0 HA LYS A 69 3.893 -3.425 11.983 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.559 -0.893 11.683 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.003 -0.989 12.483 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.935 -2.524 14.185 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.480 -2.543 13.358 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.625 -0.032 13.703 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.159 -0.122 14.660 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.192 -1.298 16.402 1.00 0.00 H new ATOM 0 HE3 LYS A 69 7.424 -1.981 15.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.305 -0.293 16.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.466 0.172 15.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.254 0.866 16.165 1.00 0.00 H new ATOM 1176 N ILE A 70 4.432 -1.864 9.123 1.00 0.00 N ATOM 1177 CA ILE A 70 3.816 -1.555 7.829 1.00 0.00 C ATOM 1178 C ILE A 70 3.387 -2.843 7.119 1.00 0.00 C ATOM 1179 O ILE A 70 2.257 -2.919 6.655 1.00 0.00 O ATOM 1180 CB ILE A 70 4.749 -0.681 6.962 1.00 0.00 C ATOM 1181 CG1 ILE A 70 4.954 0.696 7.625 1.00 0.00 C ATOM 1182 CG2 ILE A 70 4.157 -0.531 5.553 1.00 0.00 C ATOM 1183 CD1 ILE A 70 5.995 1.578 6.956 1.00 0.00 C ATOM 0 H ILE A 70 5.433 -1.670 9.153 1.00 0.00 H new ATOM 0 HA ILE A 70 2.915 -0.967 8.001 1.00 0.00 H new ATOM 0 HB ILE A 70 5.723 -1.164 6.878 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.001 1.225 7.633 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.242 0.543 8.665 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.818 0.086 4.944 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.055 -1.515 5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.177 -0.058 5.618 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.069 2.524 7.492 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.962 1.075 6.972 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.702 1.768 5.924 1.00 0.00 H new ATOM 1195 N LEU A 71 4.229 -3.879 7.093 1.00 0.00 N ATOM 1196 CA LEU A 71 3.910 -5.193 6.520 1.00 0.00 C ATOM 1197 C LEU A 71 2.634 -5.809 7.113 1.00 0.00 C ATOM 1198 O LEU A 71 1.831 -6.350 6.377 1.00 0.00 O ATOM 1199 CB LEU A 71 5.134 -6.098 6.698 1.00 0.00 C ATOM 1200 CG LEU A 71 5.021 -7.540 6.189 1.00 0.00 C ATOM 1201 CD1 LEU A 71 4.702 -7.629 4.714 1.00 0.00 C ATOM 1202 CD2 LEU A 71 6.334 -8.250 6.429 1.00 0.00 C ATOM 0 H LEU A 71 5.172 -3.829 7.478 1.00 0.00 H new ATOM 0 HA LEU A 71 3.690 -5.078 5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.978 -5.627 6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.376 -6.133 7.760 1.00 0.00 H new ATOM 0 HG LEU A 71 4.199 -8.003 6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.636 -8.676 4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.750 -7.136 4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.490 -7.139 4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.263 -9.277 6.070 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.130 -7.733 5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.556 -8.253 7.496 1.00 0.00 H new ATOM 1214 N GLU A 72 2.401 -5.656 8.415 1.00 0.00 N ATOM 1215 CA GLU A 72 1.185 -6.114 9.098 1.00 0.00 C ATOM 1216 C GLU A 72 -0.096 -5.403 8.622 1.00 0.00 C ATOM 1217 O GLU A 72 -1.152 -5.986 8.674 1.00 0.00 O ATOM 1218 CB GLU A 72 1.393 -5.984 10.615 1.00 0.00 C ATOM 1219 CG GLU A 72 0.348 -6.696 11.459 1.00 0.00 C ATOM 1220 CD GLU A 72 0.804 -6.799 12.914 1.00 0.00 C ATOM 1221 OE1 GLU A 72 1.531 -7.660 13.263 1.00 0.00 O ATOM 1222 OE2 GLU A 72 0.457 -6.020 13.728 1.00 0.00 O ATOM 0 H GLU A 72 3.065 -5.201 9.041 1.00 0.00 H new ATOM 0 HA GLU A 72 1.024 -7.160 8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.377 -6.379 10.869 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.396 -4.926 10.879 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.598 -6.156 11.407 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.168 -7.693 11.058 1.00 0.00 H new ATOM 1229 N ASP A 73 -0.023 -4.188 8.099 1.00 0.00 N ATOM 1230 CA ASP A 73 -1.143 -3.544 7.398 1.00 0.00 C ATOM 1231 C ASP A 73 -1.299 -4.042 5.957 1.00 0.00 C ATOM 1232 O ASP A 73 -2.417 -4.232 5.501 1.00 0.00 O ATOM 1233 CB ASP A 73 -0.960 -2.025 7.338 1.00 0.00 C ATOM 1234 CG ASP A 73 -1.186 -1.289 8.633 1.00 0.00 C ATOM 1235 OD1 ASP A 73 -2.186 -1.523 9.292 1.00 0.00 O ATOM 1236 OD2 ASP A 73 -0.408 -0.394 8.941 1.00 0.00 O ATOM 0 H ASP A 73 0.817 -3.611 8.145 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.032 -3.805 7.971 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.052 -1.813 6.992 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.643 -1.624 6.589 1.00 0.00 H new ATOM 1241 N GLU A 74 -0.209 -4.258 5.219 1.00 0.00 N ATOM 1242 CA GLU A 74 -0.287 -4.727 3.847 1.00 0.00 C ATOM 1243 C GLU A 74 -0.839 -6.161 3.747 1.00 1.00 C ATOM 1244 O GLU A 74 -1.692 -6.433 2.910 1.00 1.00 O ATOM 1245 CB GLU A 74 1.097 -4.603 3.202 1.00 1.00 C ATOM 1246 CG GLU A 74 1.871 -3.259 3.287 1.00 1.00 C ATOM 1247 CD GLU A 74 1.174 -1.923 2.983 1.00 1.00 C ATOM 1248 OE1 GLU A 74 -0.078 -1.787 3.100 1.00 1.00 O ATOM 1249 OE2 GLU A 74 1.981 -0.962 2.724 1.00 1.00 O ATOM 0 H GLU A 74 0.742 -4.112 5.558 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.996 -4.102 3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.731 -5.372 3.643 1.00 1.00 H new ATOM 0 HB3 GLU A 74 0.987 -4.848 2.146 1.00 1.00 H new ATOM 0 HG2 GLU A 74 2.274 -3.186 4.297 1.00 1.00 H new ATOM 0 HG3 GLU A 74 2.721 -3.337 2.609 1.00 1.00 H new ATOM 1256 N GLU A 75 -0.458 -7.041 4.675 1.00 0.00 N ATOM 1257 CA GLU A 75 -1.043 -8.377 4.847 1.00 0.00 C ATOM 1258 C GLU A 75 -2.534 -8.360 5.201 1.00 0.00 C ATOM 1259 O GLU A 75 -3.214 -9.347 4.994 1.00 0.00 O ATOM 1260 CB GLU A 75 -0.295 -9.165 5.922 1.00 0.00 C ATOM 1261 CG GLU A 75 1.064 -9.681 5.463 1.00 0.00 C ATOM 1262 CD GLU A 75 1.741 -10.559 6.483 1.00 0.00 C ATOM 1263 OE1 GLU A 75 1.424 -10.552 7.664 1.00 0.00 O ATOM 1264 OE2 GLU A 75 2.610 -11.294 6.105 1.00 0.00 O ATOM 0 H GLU A 75 0.284 -6.842 5.346 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.942 -8.859 3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.157 -8.530 6.797 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.909 -10.010 6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.939 -10.242 4.537 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.710 -8.833 5.237 1.00 0.00 H new ATOM 1271 N LYS A 76 -3.064 -7.263 5.712 1.00 0.00 N ATOM 1272 CA LYS A 76 -4.504 -7.061 5.921 1.00 0.00 C ATOM 1273 C LYS A 76 -5.182 -6.571 4.651 1.00 0.00 C ATOM 1274 O LYS A 76 -6.142 -7.186 4.207 1.00 0.00 O ATOM 1275 CB LYS A 76 -4.771 -6.107 7.091 1.00 0.00 C ATOM 1276 CG LYS A 76 -4.359 -6.702 8.434 1.00 0.00 C ATOM 1277 CD LYS A 76 -4.408 -5.687 9.572 1.00 0.00 C ATOM 1278 CE LYS A 76 -3.768 -6.269 10.821 1.00 0.00 C ATOM 1279 NZ LYS A 76 -3.795 -5.330 11.948 1.00 0.00 N ATOM 0 H LYS A 76 -2.500 -6.464 6.003 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.936 -8.028 6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.228 -5.176 6.928 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.832 -5.857 7.118 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.015 -7.539 8.672 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.348 -7.102 8.354 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.887 -4.775 9.279 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.442 -5.411 9.779 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.289 -7.185 11.101 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.736 -6.543 10.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.348 -5.770 12.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.276 -4.466 11.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.781 -5.087 12.174 1.00 0.00 H new ATOM 1293 N HIS A 77 -4.648 -5.504 4.032 1.00 0.00 N ATOM 1294 CA HIS A 77 -5.138 -4.910 2.888 1.00 1.00 C ATOM 1295 C HIS A 77 -5.275 -5.817 1.563 1.00 1.00 C ATOM 1296 O HIS A 77 -6.271 -5.753 0.858 1.00 1.00 O ATOM 1297 CB HIS A 77 -4.259 -3.718 2.448 1.00 1.00 C ATOM 1298 CG HIS A 77 -4.131 -2.607 3.446 1.00 1.00 C ATOM 1299 ND1 HIS A 77 -3.229 -1.562 3.259 1.00 1.00 N ATOM 1300 CD2 HIS A 77 -4.742 -2.410 4.648 1.00 1.00 C ATOM 1301 CE1 HIS A 77 -3.313 -0.774 4.327 1.00 1.00 C ATOM 1302 NE2 HIS A 77 -4.220 -1.253 5.185 1.00 1.00 N ATOM 0 H HIS A 77 -3.808 -5.043 4.382 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.142 -4.644 3.220 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -3.261 -4.091 2.216 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -4.669 -3.308 1.525 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -5.494 -3.042 5.096 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -2.732 0.124 4.479 1.00 1.00 H new ATOM 0 HE2 HIS A 77 -4.480 -0.836 6.079 1.00 1.00 H new ATOM 1310 N ILE A 78 -4.286 -6.678 1.349 1.00 0.00 N ATOM 1311 CA ILE A 78 -4.281 -7.644 0.247 1.00 0.00 C ATOM 1312 C ILE A 78 -5.430 -8.662 0.336 1.00 0.00 C ATOM 1313 O ILE A 78 -5.862 -9.178 -0.676 1.00 0.00 O ATOM 1314 CB ILE A 78 -2.891 -8.298 0.141 1.00 0.00 C ATOM 1315 CG1 ILE A 78 -2.676 -8.921 -1.244 1.00 0.00 C ATOM 1316 CG2 ILE A 78 -2.640 -9.302 1.262 1.00 0.00 C ATOM 1317 CD1 ILE A 78 -1.237 -9.326 -1.508 1.00 0.00 C ATOM 0 H ILE A 78 -3.456 -6.729 1.939 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.472 -7.108 -0.683 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.151 -7.507 0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.316 -9.798 -1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.991 -8.209 -2.007 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.647 -9.737 1.145 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.703 -8.795 2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.390 -10.092 1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.158 -9.759 -2.505 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.594 -8.448 -1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.924 -10.062 -0.767 1.00 0.00 H new ATOM 1329 N GLU A 79 -5.966 -8.917 1.526 1.00 0.00 N ATOM 1330 CA GLU A 79 -7.150 -9.749 1.755 1.00 0.00 C ATOM 1331 C GLU A 79 -8.454 -8.946 1.683 1.00 0.00 C ATOM 1332 O GLU A 79 -9.455 -9.463 1.209 1.00 0.00 O ATOM 1333 CB GLU A 79 -7.071 -10.431 3.125 1.00 0.00 C ATOM 1334 CG GLU A 79 -5.794 -11.227 3.398 1.00 0.00 C ATOM 1335 CD GLU A 79 -5.509 -12.339 2.397 1.00 0.00 C ATOM 1336 OE1 GLU A 79 -6.429 -12.996 1.895 1.00 0.00 O ATOM 1337 OE2 GLU A 79 -4.338 -12.607 2.116 1.00 0.00 O ATOM 0 H GLU A 79 -5.577 -8.538 2.389 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.161 -10.494 0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.173 -9.668 3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -7.924 -11.102 3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.949 -10.539 3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.860 -11.663 4.395 1.00 0.00 H new ATOM 1344 N TRP A 80 -8.457 -7.679 2.106 1.00 0.00 N ATOM 1345 CA TRP A 80 -9.617 -6.792 1.974 1.00 0.00 C ATOM 1346 C TRP A 80 -9.994 -6.576 0.506 1.00 0.00 C ATOM 1347 O TRP A 80 -11.165 -6.640 0.161 1.00 0.00 O ATOM 1348 CB TRP A 80 -9.354 -5.429 2.625 1.00 0.00 C ATOM 1349 CG TRP A 80 -8.996 -5.363 4.075 1.00 0.00 C ATOM 1350 CD1 TRP A 80 -9.060 -6.351 4.986 1.00 0.00 C ATOM 1351 CD2 TRP A 80 -8.542 -4.193 4.807 1.00 0.00 C ATOM 1352 NE1 TRP A 80 -8.643 -5.880 6.212 1.00 0.00 N ATOM 1353 CE2 TRP A 80 -8.309 -4.554 6.157 1.00 0.00 C ATOM 1354 CE3 TRP A 80 -8.328 -2.852 4.460 1.00 0.00 C ATOM 1355 CZ2 TRP A 80 -7.860 -3.637 7.109 1.00 0.00 C ATOM 1356 CZ3 TRP A 80 -7.901 -1.916 5.413 1.00 0.00 C ATOM 1357 CH2 TRP A 80 -7.653 -2.311 6.727 1.00 0.00 C ATOM 0 H TRP A 80 -7.652 -7.238 2.551 1.00 0.00 H new ATOM 0 HA TRP A 80 -10.444 -7.283 2.487 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -8.549 -4.951 2.068 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -10.247 -4.820 2.481 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -9.388 -7.360 4.787 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -8.590 -6.450 7.057 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -8.495 -2.534 3.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -7.676 -3.949 8.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -7.763 -0.884 5.128 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -7.300 -1.590 7.450 1.00 0.00 H new ATOM 1368 N LEU A 81 -9.004 -6.381 -0.368 1.00 0.00 N ATOM 1369 CA LEU A 81 -9.201 -6.250 -1.813 1.00 0.00 C ATOM 1370 C LEU A 81 -9.828 -7.498 -2.452 1.00 0.00 C ATOM 1371 O LEU A 81 -10.596 -7.359 -3.385 1.00 0.00 O ATOM 1372 CB LEU A 81 -7.868 -5.894 -2.495 1.00 0.00 C ATOM 1373 CG LEU A 81 -7.399 -4.461 -2.264 1.00 0.00 C ATOM 1374 CD1 LEU A 81 -5.996 -4.277 -2.800 1.00 0.00 C ATOM 1375 CD2 LEU A 81 -8.271 -3.442 -2.933 1.00 0.00 C ATOM 0 H LEU A 81 -8.026 -6.308 -0.086 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.915 -5.441 -1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.098 -6.577 -2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.968 -6.061 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.442 -4.305 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.673 -3.250 -2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.318 -4.961 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.985 -4.488 -3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.884 -2.443 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.277 -3.618 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.287 -3.523 -2.547 1.00 0.00 H new ATOM 1387 N LYS A 82 -9.559 -8.700 -1.947 1.00 0.00 N ATOM 1388 CA LYS A 82 -10.224 -9.938 -2.392 1.00 0.00 C ATOM 1389 C LYS A 82 -11.700 -9.923 -2.024 1.00 0.00 C ATOM 1390 O LYS A 82 -12.533 -10.097 -2.898 1.00 0.00 O ATOM 1391 CB LYS A 82 -9.563 -11.189 -1.796 1.00 0.00 C ATOM 1392 CG LYS A 82 -8.098 -11.348 -2.192 1.00 0.00 C ATOM 1393 CD LYS A 82 -7.454 -12.475 -1.390 1.00 0.00 C ATOM 1394 CE LYS A 82 -5.946 -12.516 -1.593 1.00 0.00 C ATOM 1395 NZ LYS A 82 -5.316 -13.499 -0.711 1.00 0.00 N ATOM 0 H LYS A 82 -8.869 -8.851 -1.211 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.121 -9.979 -3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.635 -11.146 -0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.116 -12.071 -2.118 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.023 -11.562 -3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.563 -10.415 -2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.676 -12.342 -0.331 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -7.888 -13.429 -1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.724 -12.761 -2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.524 -11.529 -1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.311 -13.261 -0.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.790 -13.489 0.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.399 -14.446 -1.132 1.00 0.00 H new ATOM 1409 N ALA A 83 -12.026 -9.659 -0.760 1.00 0.00 N ATOM 1410 CA ALA A 83 -13.401 -9.562 -0.276 1.00 0.00 C ATOM 1411 C ALA A 83 -14.210 -8.502 -1.035 1.00 0.00 C ATOM 1412 O ALA A 83 -15.269 -8.798 -1.569 1.00 0.00 O ATOM 1413 CB ALA A 83 -13.377 -9.290 1.225 1.00 0.00 C ATOM 0 H ALA A 83 -11.330 -9.504 -0.031 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.908 -10.509 -0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.399 -9.216 1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.863 -10.105 1.734 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.852 -8.354 1.417 1.00 0.00 H new ATOM 1419 N ALA A 84 -13.667 -7.300 -1.186 1.00 0.00 N ATOM 1420 CA ALA A 84 -14.255 -6.218 -1.967 1.00 0.00 C ATOM 1421 C ALA A 84 -14.467 -6.551 -3.453 1.00 0.00 C ATOM 1422 O ALA A 84 -15.282 -5.944 -4.101 1.00 0.00 O ATOM 1423 CB ALA A 84 -13.384 -4.987 -1.796 1.00 0.00 C ATOM 0 H ALA A 84 -12.779 -7.043 -0.755 1.00 0.00 H new ATOM 0 HA ALA A 84 -15.261 -6.041 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.803 -4.162 -2.372 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.346 -4.712 -0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.376 -5.202 -2.151 1.00 0.00 H new ATOM 1429 N SER A 85 -13.779 -7.529 -3.987 1.00 0.00 N ATOM 1430 CA SER A 85 -13.858 -7.978 -5.382 1.00 0.00 C ATOM 1431 C SER A 85 -14.693 -9.240 -5.603 1.00 0.00 C ATOM 1432 O SER A 85 -14.884 -9.637 -6.745 1.00 0.00 O ATOM 1433 CB SER A 85 -12.458 -8.218 -5.933 1.00 0.00 C ATOM 1434 OG SER A 85 -11.650 -7.075 -5.787 1.00 0.00 O ATOM 0 H SER A 85 -13.108 -8.072 -3.443 1.00 0.00 H new ATOM 0 HA SER A 85 -14.366 -7.172 -5.911 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.999 -9.059 -5.414 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.521 -8.490 -6.987 1.00 0.00 H new ATOM 0 HG SER A 85 -11.472 -6.920 -4.836 1.00 0.00 H new ATOM 1440 N LYS A 86 -15.204 -9.880 -4.555 1.00 0.00 N ATOM 1441 CA LYS A 86 -15.937 -11.156 -4.652 1.00 0.00 C ATOM 1442 C LYS A 86 -17.228 -11.254 -3.837 1.00 0.00 C ATOM 1443 O LYS A 86 -17.979 -12.196 -4.028 1.00 0.00 O ATOM 1444 CB LYS A 86 -14.982 -12.316 -4.350 1.00 0.00 C ATOM 1445 CG LYS A 86 -14.735 -12.567 -2.871 1.00 0.00 C ATOM 1446 CD LYS A 86 -13.593 -13.554 -2.665 1.00 0.00 C ATOM 1447 CE LYS A 86 -13.437 -13.879 -1.254 1.00 0.00 C ATOM 1448 NZ LYS A 86 -12.574 -15.016 -0.979 1.00 0.00 N ATOM 0 H LYS A 86 -15.124 -9.530 -3.600 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.294 -11.213 -5.680 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.384 -13.225 -4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -14.026 -12.118 -4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.500 -11.626 -2.374 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.643 -12.955 -2.408 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.786 -14.464 -3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.666 -13.129 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.039 -13.006 -0.737 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.422 -14.078 -0.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.523 -15.172 0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.960 -15.865 -1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.621 -14.826 -1.348 1.00 0.00 H new ATOM 1462 N GLN A 87 -17.531 -10.296 -2.976 1.00 0.00 N ATOM 1463 CA GLN A 87 -18.817 -10.211 -2.278 1.00 0.00 C ATOM 1464 C GLN A 87 -20.019 -9.965 -3.205 1.00 0.00 C ATOM 1465 O GLN A 87 -21.138 -10.127 -2.793 1.00 0.00 O ATOM 1466 CB GLN A 87 -18.752 -9.180 -1.140 1.00 0.00 C ATOM 1467 CG GLN A 87 -18.548 -7.721 -1.558 1.00 0.00 C ATOM 1468 CD GLN A 87 -18.729 -6.733 -0.419 1.00 0.00 C ATOM 1469 OE1 GLN A 87 -18.695 -7.039 0.742 1.00 0.00 O ATOM 1470 NE2 GLN A 87 -18.975 -5.511 -0.698 1.00 0.00 N ATOM 0 H GLN A 87 -16.887 -9.543 -2.735 1.00 0.00 H new ATOM 0 HA GLN A 87 -18.993 -11.196 -1.846 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -19.676 -9.245 -0.566 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -17.940 -9.461 -0.470 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -17.546 -7.607 -1.972 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.251 -7.478 -2.354 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -19.013 -5.208 -1.671 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -19.133 -4.838 0.052 1.00 0.00 H new ATOM 1479 N GLY A 88 -19.795 -9.573 -4.445 1.00 0.00 N ATOM 1480 CA GLY A 88 -20.821 -9.323 -5.452 1.00 0.00 C ATOM 1481 C GLY A 88 -21.507 -7.975 -5.323 1.00 0.00 C ATOM 1482 O GLY A 88 -22.639 -7.834 -5.751 1.00 0.00 O ATOM 0 H GLY A 88 -18.852 -9.412 -4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -20.368 -9.394 -6.441 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -21.574 -10.108 -5.389 1.00 0.00 H new ATOM 1486 N ASN A 89 -20.861 -7.005 -4.689 1.00 0.00 N ATOM 1487 CA ASN A 89 -21.439 -5.723 -4.294 1.00 0.00 C ATOM 1488 C ASN A 89 -20.363 -4.635 -4.182 1.00 0.00 C ATOM 1489 O ASN A 89 -19.268 -4.896 -3.708 1.00 0.00 O ATOM 1490 CB ASN A 89 -22.149 -5.933 -2.955 1.00 0.00 C ATOM 1491 CG ASN A 89 -22.846 -4.693 -2.457 1.00 0.00 C ATOM 1492 OD1 ASN A 89 -22.247 -3.800 -1.899 1.00 0.00 O ATOM 1493 ND2 ASN A 89 -24.122 -4.601 -2.655 1.00 0.00 N ATOM 0 H ASN A 89 -19.880 -7.092 -4.424 1.00 0.00 H new ATOM 0 HA ASN A 89 -22.146 -5.382 -5.051 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -22.879 -6.736 -3.059 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -21.421 -6.258 -2.211 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -24.629 -3.773 -2.341 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -24.621 -5.356 -3.125 1.00 0.00 H new ATOM 1500 N ALA A 90 -20.701 -3.406 -4.553 1.00 0.00 N ATOM 1501 CA ALA A 90 -19.827 -2.237 -4.512 1.00 0.00 C ATOM 1502 C ALA A 90 -20.548 -0.956 -4.044 1.00 0.00 C ATOM 1503 O ALA A 90 -20.138 0.144 -4.372 1.00 0.00 O ATOM 1504 CB ALA A 90 -19.169 -2.093 -5.879 1.00 0.00 C ATOM 0 H ALA A 90 -21.632 -3.186 -4.906 1.00 0.00 H new ATOM 0 HA ALA A 90 -19.056 -2.388 -3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -18.509 -1.225 -5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -18.589 -2.989 -6.100 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -19.938 -1.962 -6.641 1.00 0.00 H new ATOM 1510 N GLU A 91 -21.625 -1.076 -3.274 1.00 0.00 N ATOM 1511 CA GLU A 91 -22.408 0.039 -2.725 1.00 0.00 C ATOM 1512 C GLU A 91 -21.564 1.108 -2.012 1.00 0.00 C ATOM 1513 O GLU A 91 -21.832 2.291 -2.142 1.00 0.00 O ATOM 1514 CB GLU A 91 -23.465 -0.531 -1.766 1.00 0.00 C ATOM 1515 CG GLU A 91 -24.521 0.490 -1.328 1.00 0.00 C ATOM 1516 CD GLU A 91 -25.273 0.046 -0.081 1.00 0.00 C ATOM 1517 OE1 GLU A 91 -26.152 -0.795 -0.155 1.00 0.00 O ATOM 1518 OE2 GLU A 91 -25.013 0.561 1.000 1.00 0.00 O ATOM 0 H GLU A 91 -21.995 -1.986 -3.001 1.00 0.00 H new ATOM 0 HA GLU A 91 -22.873 0.552 -3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -23.964 -1.371 -2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -22.964 -0.924 -0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -24.039 1.449 -1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -25.230 0.647 -2.141 1.00 0.00 H new ATOM 1525 N GLN A 92 -20.530 0.700 -1.287 1.00 0.00 N ATOM 1526 CA GLN A 92 -19.726 1.528 -0.381 1.00 0.00 C ATOM 1527 C GLN A 92 -18.214 1.400 -0.658 1.00 0.00 C ATOM 1528 O GLN A 92 -17.391 1.691 0.201 1.00 0.00 O ATOM 1529 CB GLN A 92 -20.091 1.191 1.077 1.00 0.00 C ATOM 1530 CG GLN A 92 -21.567 1.351 1.391 1.00 0.00 C ATOM 1531 CD GLN A 92 -21.959 1.162 2.833 1.00 0.00 C ATOM 1532 OE1 GLN A 92 -21.174 1.109 3.744 1.00 0.00 O ATOM 1533 NE2 GLN A 92 -23.203 1.051 3.101 1.00 0.00 N ATOM 0 H GLN A 92 -20.208 -0.268 -1.313 1.00 0.00 H new ATOM 0 HA GLN A 92 -19.962 2.577 -0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -19.793 0.164 1.288 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -19.515 1.833 1.744 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -21.879 2.347 1.078 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -22.126 0.637 0.786 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -23.892 1.092 2.350 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -23.507 0.921 4.066 1.00 0.00 H new ATOM 1542 N PHE A 93 -17.835 0.950 -1.855 1.00 0.00 N ATOM 1543 CA PHE A 93 -16.454 0.672 -2.257 1.00 0.00 C ATOM 1544 C PHE A 93 -15.511 1.879 -2.135 1.00 0.00 C ATOM 1545 O PHE A 93 -14.432 1.748 -1.569 1.00 0.00 O ATOM 1546 CB PHE A 93 -16.472 0.103 -3.679 1.00 0.00 C ATOM 1547 CG PHE A 93 -15.122 -0.141 -4.308 1.00 0.00 C ATOM 1548 CD1 PHE A 93 -14.243 -1.061 -3.757 1.00 0.00 C ATOM 1549 CD2 PHE A 93 -14.746 0.549 -5.453 1.00 0.00 C ATOM 1550 CE1 PHE A 93 -12.995 -1.276 -4.338 1.00 0.00 C ATOM 1551 CE2 PHE A 93 -13.497 0.333 -6.035 1.00 0.00 C ATOM 1552 CZ PHE A 93 -12.621 -0.577 -5.474 1.00 0.00 C ATOM 0 H PHE A 93 -18.506 0.762 -2.600 1.00 0.00 H new ATOM 0 HA PHE A 93 -16.042 -0.059 -1.561 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -17.021 -0.839 -3.666 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -17.030 0.788 -4.317 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -14.527 -1.613 -2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -15.427 1.260 -5.897 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -12.315 -1.992 -3.900 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -13.214 0.877 -6.924 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.651 -0.742 -5.919 1.00 0.00 H new ATOM 1562 N ALA A 94 -15.919 3.068 -2.583 1.00 0.00 N ATOM 1563 CA ALA A 94 -15.126 4.294 -2.487 1.00 0.00 C ATOM 1564 C ALA A 94 -14.701 4.642 -1.049 1.00 0.00 C ATOM 1565 O ALA A 94 -13.609 5.161 -0.841 1.00 0.00 O ATOM 1566 CB ALA A 94 -15.912 5.443 -3.115 1.00 0.00 C ATOM 0 H ALA A 94 -16.825 3.208 -3.030 1.00 0.00 H new ATOM 0 HA ALA A 94 -14.197 4.127 -3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -15.329 6.362 -3.048 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -16.114 5.216 -4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -16.855 5.572 -2.583 1.00 0.00 H new ATOM 1572 N SER A 95 -15.525 4.313 -0.050 1.00 0.00 N ATOM 1573 CA SER A 95 -15.190 4.504 1.362 1.00 0.00 C ATOM 1574 C SER A 95 -14.005 3.634 1.790 1.00 0.00 C ATOM 1575 O SER A 95 -13.113 4.134 2.458 1.00 0.00 O ATOM 1576 CB SER A 95 -16.398 4.226 2.260 1.00 0.00 C ATOM 1577 OG SER A 95 -17.497 5.019 1.881 1.00 0.00 O ATOM 0 H SER A 95 -16.448 3.905 -0.200 1.00 0.00 H new ATOM 0 HA SER A 95 -14.900 5.548 1.479 1.00 0.00 H new ATOM 0 HB2 SER A 95 -16.667 3.171 2.199 1.00 0.00 H new ATOM 0 HB3 SER A 95 -16.139 4.429 3.299 1.00 0.00 H new ATOM 0 HG SER A 95 -18.258 4.824 2.467 1.00 0.00 H new ATOM 1583 N LEU A 96 -13.945 2.374 1.350 1.00 0.00 N ATOM 1584 CA LEU A 96 -12.814 1.465 1.584 1.00 0.00 C ATOM 1585 C LEU A 96 -11.561 1.887 0.808 1.00 0.00 C ATOM 1586 O LEU A 96 -10.469 1.866 1.364 1.00 0.00 O ATOM 1587 CB LEU A 96 -13.226 0.027 1.228 1.00 0.00 C ATOM 1588 CG LEU A 96 -12.145 -1.041 1.460 1.00 0.00 C ATOM 1589 CD1 LEU A 96 -11.766 -1.196 2.912 1.00 0.00 C ATOM 1590 CD2 LEU A 96 -12.625 -2.380 0.959 1.00 0.00 C ATOM 0 H LEU A 96 -14.697 1.946 0.809 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.554 1.514 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -14.106 -0.237 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -13.521 0.000 0.179 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.265 -0.703 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.999 -1.965 3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -11.380 -0.249 3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -12.644 -1.486 3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.852 -3.130 1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -13.531 -2.665 1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -12.840 -2.314 -0.108 1.00 0.00 H new ATOM 1602 N VAL A 97 -11.707 2.321 -0.446 1.00 0.00 N ATOM 1603 CA VAL A 97 -10.601 2.869 -1.252 1.00 0.00 C ATOM 1604 C VAL A 97 -9.933 4.037 -0.524 1.00 0.00 C ATOM 1605 O VAL A 97 -8.721 4.055 -0.387 1.00 0.00 O ATOM 1606 CB VAL A 97 -11.090 3.279 -2.656 1.00 0.00 C ATOM 1607 CG1 VAL A 97 -10.040 3.987 -3.498 1.00 0.00 C ATOM 1608 CG2 VAL A 97 -11.533 2.066 -3.463 1.00 0.00 C ATOM 0 H VAL A 97 -12.600 2.304 -0.939 1.00 0.00 H new ATOM 0 HA VAL A 97 -9.852 2.088 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 97 -11.913 3.965 -2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -10.464 4.241 -4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -9.721 4.898 -2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.182 3.330 -3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -11.872 2.388 -4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.695 1.378 -3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -12.349 1.563 -2.945 1.00 0.00 H new ATOM 1618 N GLN A 98 -10.711 4.972 0.017 1.00 0.00 N ATOM 1619 CA GLN A 98 -10.202 6.082 0.822 1.00 0.00 C ATOM 1620 C GLN A 98 -9.641 5.633 2.183 1.00 0.00 C ATOM 1621 O GLN A 98 -8.639 6.166 2.630 1.00 0.00 O ATOM 1622 CB GLN A 98 -11.306 7.132 0.982 1.00 0.00 C ATOM 1623 CG GLN A 98 -10.788 8.431 1.583 1.00 0.00 C ATOM 1624 CD GLN A 98 -11.792 9.558 1.620 1.00 0.00 C ATOM 1625 OE1 GLN A 98 -12.934 9.423 1.262 1.00 0.00 O ATOM 1626 NE2 GLN A 98 -11.407 10.738 2.033 1.00 0.00 N ATOM 0 H GLN A 98 -11.725 4.981 -0.092 1.00 0.00 H new ATOM 0 HA GLN A 98 -9.355 6.521 0.295 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -11.752 7.337 0.009 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -12.096 6.731 1.617 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -10.447 8.234 2.599 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -9.918 8.757 1.013 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -10.446 10.882 2.342 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -12.068 11.515 2.046 1.00 0.00 H new ATOM 1635 N GLN A 99 -10.231 4.630 2.826 1.00 0.00 N ATOM 1636 CA GLN A 99 -9.750 4.064 4.091 1.00 0.00 C ATOM 1637 C GLN A 99 -8.367 3.404 3.962 1.00 0.00 C ATOM 1638 O GLN A 99 -7.574 3.465 4.899 1.00 0.00 O ATOM 1639 CB GLN A 99 -10.808 3.084 4.611 1.00 0.00 C ATOM 1640 CG GLN A 99 -10.602 2.589 6.013 1.00 0.00 C ATOM 1641 CD GLN A 99 -11.800 1.846 6.568 1.00 0.00 C ATOM 1642 OE1 GLN A 99 -12.599 1.282 5.871 1.00 0.00 O ATOM 1643 NE2 GLN A 99 -11.980 1.832 7.841 1.00 0.00 N ATOM 0 H GLN A 99 -11.075 4.175 2.478 1.00 0.00 H new ATOM 0 HA GLN A 99 -9.610 4.872 4.809 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.783 3.567 4.555 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -10.840 2.224 3.942 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -9.733 1.931 6.035 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.377 3.436 6.661 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.316 2.303 8.455 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.787 1.349 8.237 1.00 0.00 H new ATOM 1652 N ILE A 100 -8.047 2.807 2.812 1.00 0.00 N ATOM 1653 CA ILE A 100 -6.703 2.298 2.507 1.00 0.00 C ATOM 1654 C ILE A 100 -5.765 3.442 2.089 1.00 0.00 C ATOM 1655 O ILE A 100 -4.657 3.509 2.605 1.00 0.00 O ATOM 1656 CB ILE A 100 -6.736 1.164 1.455 1.00 0.00 C ATOM 1657 CG1 ILE A 100 -7.588 -0.037 1.920 1.00 0.00 C ATOM 1658 CG2 ILE A 100 -5.299 0.684 1.204 1.00 0.00 C ATOM 1659 CD1 ILE A 100 -7.953 -1.005 0.793 1.00 0.00 C ATOM 0 H ILE A 100 -8.718 2.661 2.058 1.00 0.00 H new ATOM 0 HA ILE A 100 -6.303 1.859 3.421 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.187 1.561 0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.043 -0.581 2.692 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.504 0.335 2.379 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.307 -0.116 0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.697 1.514 0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.872 0.313 2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.551 -1.823 1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -8.526 -0.477 0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.042 -1.406 0.349 1.00 0.00 H new ATOM 1671 N LEU A 101 -6.201 4.386 1.244 1.00 0.00 N ATOM 1672 CA LEU A 101 -5.440 5.592 0.865 1.00 0.00 C ATOM 1673 C LEU A 101 -4.902 6.332 2.104 1.00 0.00 C ATOM 1674 O LEU A 101 -3.703 6.573 2.215 1.00 0.00 O ATOM 1675 CB LEU A 101 -6.360 6.477 -0.001 1.00 0.00 C ATOM 1676 CG LEU A 101 -5.747 7.634 -0.800 1.00 0.00 C ATOM 1677 CD1 LEU A 101 -6.839 8.268 -1.655 1.00 0.00 C ATOM 1678 CD2 LEU A 101 -5.138 8.729 0.044 1.00 0.00 C ATOM 0 H LEU A 101 -7.114 4.334 0.792 1.00 0.00 H new ATOM 0 HA LEU A 101 -4.558 5.318 0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.872 5.825 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.122 6.898 0.654 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.940 7.197 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -6.418 9.093 -2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -7.247 7.522 -2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -7.634 8.643 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.730 9.504 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.904 9.161 0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -4.340 8.313 0.659 1.00 0.00 H new ATOM 1690 N GLN A 102 -5.775 6.594 3.076 1.00 0.00 N ATOM 1691 CA GLN A 102 -5.454 7.207 4.368 1.00 0.00 C ATOM 1692 C GLN A 102 -4.481 6.389 5.234 1.00 0.00 C ATOM 1693 O GLN A 102 -3.848 6.940 6.111 1.00 0.00 O ATOM 1694 CB GLN A 102 -6.755 7.437 5.141 1.00 0.00 C ATOM 1695 CG GLN A 102 -7.607 8.575 4.574 1.00 0.00 C ATOM 1696 CD GLN A 102 -8.967 8.681 5.238 1.00 0.00 C ATOM 1697 OE1 GLN A 102 -9.392 7.863 6.018 1.00 0.00 O ATOM 1698 NE2 GLN A 102 -9.714 9.700 4.952 1.00 0.00 N ATOM 0 H GLN A 102 -6.767 6.376 2.983 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.943 8.144 4.149 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -7.340 6.517 5.134 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -6.516 7.656 6.182 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -7.074 9.518 4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -7.742 8.423 3.503 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -9.382 10.408 4.297 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -10.634 9.795 5.382 1.00 0.00 H new ATOM 1707 N ASP A 103 -4.338 5.091 5.011 1.00 0.00 N ATOM 1708 CA ASP A 103 -3.384 4.227 5.712 1.00 0.00 C ATOM 1709 C ASP A 103 -2.001 4.237 5.056 1.00 0.00 C ATOM 1710 O ASP A 103 -0.989 4.276 5.749 1.00 0.00 O ATOM 1711 CB ASP A 103 -3.942 2.808 5.775 1.00 0.00 C ATOM 1712 CG ASP A 103 -3.226 1.971 6.822 1.00 0.00 C ATOM 1713 OD1 ASP A 103 -3.416 2.224 7.992 1.00 0.00 O ATOM 1714 OD2 ASP A 103 -2.462 1.089 6.489 1.00 0.00 O ATOM 0 H ASP A 103 -4.895 4.590 4.319 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.252 4.616 6.722 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.007 2.845 6.004 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -3.842 2.334 4.799 1.00 0.00 H new ATOM 1719 N GLU A 104 -1.944 4.290 3.723 1.00 0.00 N ATOM 1720 CA GLU A 104 -0.720 4.555 2.990 1.00 0.00 C ATOM 1721 C GLU A 104 -0.157 5.960 3.306 1.00 1.00 C ATOM 1722 O GLU A 104 1.036 6.103 3.554 1.00 1.00 O ATOM 1723 CB GLU A 104 -1.001 4.360 1.493 1.00 1.00 C ATOM 1724 CG GLU A 104 -1.654 3.026 1.009 1.00 1.00 C ATOM 1725 CD GLU A 104 -1.030 1.716 1.484 1.00 1.00 C ATOM 1726 OE1 GLU A 104 0.235 1.595 1.433 1.00 1.00 O ATOM 1727 OE2 GLU A 104 -1.821 0.808 1.869 1.00 1.00 O ATOM 0 H GLU A 104 -2.757 4.148 3.124 1.00 0.00 H new ATOM 0 HA GLU A 104 0.055 3.854 3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -1.646 5.177 1.171 1.00 1.00 H new ATOM 0 HB3 GLU A 104 -0.055 4.473 0.964 1.00 1.00 H new ATOM 0 HG2 GLU A 104 -2.699 3.032 1.320 1.00 1.00 H new ATOM 0 HG3 GLU A 104 -1.646 3.025 -0.081 1.00 1.00 H new ATOM 1734 N GLN A 105 -1.026 6.968 3.449 1.00 0.00 N ATOM 1735 CA GLN A 105 -0.696 8.315 3.941 1.00 0.00 C ATOM 1736 C GLN A 105 -0.115 8.377 5.367 1.00 0.00 C ATOM 1737 O GLN A 105 0.362 9.433 5.768 1.00 0.00 O ATOM 1738 CB GLN A 105 -1.920 9.239 3.851 1.00 0.00 C ATOM 1739 CG GLN A 105 -2.176 9.806 2.472 1.00 0.00 C ATOM 1740 CD GLN A 105 -3.280 10.849 2.502 1.00 0.00 C ATOM 1741 OE1 GLN A 105 -4.311 10.687 3.095 1.00 0.00 O ATOM 1742 NE2 GLN A 105 -3.109 11.973 1.896 1.00 0.00 N ATOM 0 H GLN A 105 -2.014 6.866 3.218 1.00 0.00 H new ATOM 0 HA GLN A 105 0.102 8.654 3.281 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.802 8.685 4.172 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -1.789 10.064 4.551 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.261 10.253 2.084 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.451 9.001 1.791 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -2.246 12.149 1.381 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.836 12.687 1.931 1.00 0.00 H new ATOM 1751 N ARG A 106 -0.103 7.287 6.139 1.00 0.00 N ATOM 1752 CA ARG A 106 0.670 7.195 7.392 1.00 0.00 C ATOM 1753 C ARG A 106 1.922 6.341 7.241 1.00 0.00 C ATOM 1754 O ARG A 106 2.960 6.715 7.765 1.00 0.00 O ATOM 1755 CB ARG A 106 -0.183 6.708 8.562 1.00 0.00 C ATOM 1756 CG ARG A 106 -1.531 7.392 8.785 1.00 0.00 C ATOM 1757 CD ARG A 106 -1.541 8.916 8.770 1.00 0.00 C ATOM 1758 NE ARG A 106 -0.625 9.497 9.757 1.00 0.00 N ATOM 1759 CZ ARG A 106 0.369 10.325 9.553 1.00 0.00 C ATOM 1760 NH1 ARG A 106 0.723 10.732 8.406 1.00 0.00 N ATOM 1761 NH2 ARG A 106 1.062 10.770 10.525 1.00 0.00 N ATOM 0 H ARG A 106 -0.627 6.440 5.918 1.00 0.00 H new ATOM 0 HA ARG A 106 0.994 8.211 7.619 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.365 5.642 8.425 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.404 6.816 9.474 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.221 7.041 8.018 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.926 7.059 9.745 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.267 9.267 7.775 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.553 9.271 8.966 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.782 9.221 10.726 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.224 10.414 7.575 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.507 11.378 8.314 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.846 10.482 11.479 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.833 11.414 10.349 1.00 0.00 H new ATOM 1775 N HIS A 107 1.880 5.253 6.448 1.00 0.00 N ATOM 1776 CA HIS A 107 2.997 4.524 6.098 1.00 1.00 C ATOM 1777 C HIS A 107 4.225 5.330 5.427 1.00 1.00 C ATOM 1778 O HIS A 107 5.379 5.106 5.762 1.00 1.00 O ATOM 1779 CB HIS A 107 2.688 3.424 5.085 1.00 1.00 C ATOM 1780 CG HIS A 107 1.779 2.350 5.591 1.00 1.00 C ATOM 1781 ND1 HIS A 107 1.142 1.455 4.726 1.00 1.00 N ATOM 1782 CD2 HIS A 107 1.393 2.055 6.871 1.00 1.00 C ATOM 1783 CE1 HIS A 107 0.384 0.667 5.496 1.00 1.00 C ATOM 1784 NE2 HIS A 107 0.513 1.001 6.789 1.00 1.00 N ATOM 0 H HIS A 107 1.015 4.890 6.048 1.00 0.00 H new ATOM 0 HA HIS A 107 3.297 4.158 7.080 1.00 1.00 H new ATOM 0 HB2 HIS A 107 2.237 3.877 4.202 1.00 1.00 H new ATOM 0 HB3 HIS A 107 3.625 2.968 4.766 1.00 1.00 H new ATOM 0 HD2 HIS A 107 1.717 2.554 7.772 1.00 1.00 H new ATOM 0 HE1 HIS A 107 -0.246 -0.129 5.127 1.00 1.00 H new ATOM 0 HE2 HIS A 107 0.041 0.552 7.574 1.00 1.00 H new ATOM 1792 N VAL A 108 3.878 6.294 4.580 1.00 0.00 N ATOM 1793 CA VAL A 108 4.821 7.230 3.951 1.00 0.00 C ATOM 1794 C VAL A 108 5.564 8.128 4.952 1.00 0.00 C ATOM 1795 O VAL A 108 6.614 8.659 4.643 1.00 0.00 O ATOM 1796 CB VAL A 108 4.080 8.044 2.875 1.00 0.00 C ATOM 1797 CG1 VAL A 108 3.185 9.113 3.436 1.00 0.00 C ATOM 1798 CG2 VAL A 108 4.989 8.669 1.869 1.00 0.00 C ATOM 0 H VAL A 108 2.910 6.455 4.301 1.00 0.00 H new ATOM 0 HA VAL A 108 5.610 6.642 3.482 1.00 0.00 H new ATOM 0 HB VAL A 108 3.463 7.295 2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.697 9.644 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.429 8.656 4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.779 9.815 4.021 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.399 9.227 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 108 5.678 9.347 2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.555 7.891 1.357 1.00 0.00 H new ATOM 1808 N GLU A 109 5.050 8.300 6.164 1.00 0.00 N ATOM 1809 CA GLU A 109 5.691 9.047 7.251 1.00 0.00 C ATOM 1810 C GLU A 109 6.490 8.116 8.173 1.00 0.00 C ATOM 1811 O GLU A 109 7.604 8.441 8.567 1.00 0.00 O ATOM 1812 CB GLU A 109 4.613 9.805 8.035 1.00 0.00 C ATOM 1813 CG GLU A 109 5.204 10.866 8.953 1.00 0.00 C ATOM 1814 CD GLU A 109 4.153 11.443 9.888 1.00 0.00 C ATOM 1815 OE1 GLU A 109 3.266 12.182 9.436 1.00 0.00 O ATOM 1816 OE2 GLU A 109 4.207 11.177 11.103 1.00 0.00 O ATOM 0 H GLU A 109 4.145 7.912 6.431 1.00 0.00 H new ATOM 0 HA GLU A 109 6.400 9.758 6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.923 10.277 7.336 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.033 9.098 8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.014 10.431 9.539 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.638 11.666 8.354 1.00 0.00 H new ATOM 1823 N GLU A 110 5.959 6.931 8.471 1.00 0.00 N ATOM 1824 CA GLU A 110 6.637 5.902 9.262 1.00 0.00 C ATOM 1825 C GLU A 110 7.897 5.365 8.567 1.00 0.00 C ATOM 1826 O GLU A 110 8.948 5.273 9.194 1.00 0.00 O ATOM 1827 CB GLU A 110 5.657 4.756 9.566 1.00 0.00 C ATOM 1828 CG GLU A 110 4.528 5.131 10.530 1.00 0.00 C ATOM 1829 CD GLU A 110 5.034 5.624 11.876 1.00 0.00 C ATOM 1830 OE1 GLU A 110 5.821 4.928 12.526 1.00 0.00 O ATOM 1831 OE2 GLU A 110 4.632 6.710 12.321 1.00 0.00 O ATOM 0 H GLU A 110 5.027 6.653 8.164 1.00 0.00 H new ATOM 0 HA GLU A 110 6.965 6.362 10.194 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.219 4.410 8.630 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.214 3.919 9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 110 3.911 5.906 10.074 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.887 4.263 10.685 1.00 0.00 H new ATOM 1838 N ILE A 111 7.839 5.061 7.268 1.00 0.00 N ATOM 1839 CA ILE A 111 8.984 4.567 6.486 1.00 0.00 C ATOM 1840 C ILE A 111 10.101 5.613 6.339 1.00 0.00 C ATOM 1841 O ILE A 111 11.268 5.268 6.233 1.00 0.00 O ATOM 1842 CB ILE A 111 8.492 4.011 5.132 1.00 0.00 C ATOM 1843 CG1 ILE A 111 9.456 3.020 4.470 1.00 0.00 C ATOM 1844 CG2 ILE A 111 8.175 5.120 4.134 1.00 0.00 C ATOM 1845 CD1 ILE A 111 9.709 1.755 5.272 1.00 0.00 C ATOM 0 H ILE A 111 6.984 5.151 6.718 1.00 0.00 H new ATOM 0 HA ILE A 111 9.446 3.748 7.037 1.00 0.00 H new ATOM 0 HB ILE A 111 7.582 3.469 5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 111 9.058 2.743 3.494 1.00 0.00 H new ATOM 0 HG13 ILE A 111 10.408 3.521 4.295 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.833 4.680 3.197 1.00 0.00 H new ATOM 0 HG22 ILE A 111 7.393 5.762 4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 111 9.072 5.712 3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 111 10.402 1.112 4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 111 10.139 2.017 6.239 1.00 0.00 H new ATOM 0 HD13 ILE A 111 8.768 1.227 5.425 1.00 0.00 H new ATOM 1857 N GLU A 112 9.766 6.894 6.413 1.00 0.00 N ATOM 1858 CA GLU A 112 10.679 8.041 6.346 1.00 0.00 C ATOM 1859 C GLU A 112 11.384 8.347 7.685 1.00 0.00 C ATOM 1860 O GLU A 112 12.452 8.945 7.696 1.00 0.00 O ATOM 1861 CB GLU A 112 9.840 9.230 5.866 1.00 0.00 C ATOM 1862 CG GLU A 112 10.596 10.537 5.655 1.00 0.00 C ATOM 1863 CD GLU A 112 9.623 11.665 5.354 1.00 0.00 C ATOM 1864 OE1 GLU A 112 8.764 11.969 6.166 1.00 0.00 O ATOM 1865 OE2 GLU A 112 9.706 12.280 4.325 1.00 0.00 O ATOM 0 H GLU A 112 8.795 7.184 6.528 1.00 0.00 H new ATOM 0 HA GLU A 112 11.496 7.820 5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.359 8.955 4.927 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.045 9.405 6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.177 10.777 6.545 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.303 10.428 4.832 1.00 0.00 H new ATOM 1872 N LYS A 113 10.819 7.919 8.817 1.00 0.00 N ATOM 1873 CA LYS A 113 11.250 8.242 10.191 1.00 0.00 C ATOM 1874 C LYS A 113 12.741 8.017 10.486 1.00 0.00 C ATOM 1875 O LYS A 113 13.329 8.783 11.211 1.00 0.00 O ATOM 1876 CB LYS A 113 10.335 7.459 11.141 1.00 0.00 C ATOM 1877 CG LYS A 113 10.522 7.716 12.631 1.00 0.00 C ATOM 1878 CD LYS A 113 9.535 6.891 13.466 1.00 0.00 C ATOM 1879 CE LYS A 113 8.145 7.485 13.467 1.00 0.00 C ATOM 1880 NZ LYS A 113 7.158 6.639 14.138 1.00 0.00 N ATOM 0 H LYS A 113 10.005 7.305 8.805 1.00 0.00 H new ATOM 0 HA LYS A 113 11.150 9.317 10.338 1.00 0.00 H new ATOM 0 HB2 LYS A 113 9.301 7.686 10.883 1.00 0.00 H new ATOM 0 HB3 LYS A 113 10.483 6.395 10.957 1.00 0.00 H new ATOM 0 HG2 LYS A 113 11.543 7.467 12.920 1.00 0.00 H new ATOM 0 HG3 LYS A 113 10.381 8.776 12.840 1.00 0.00 H new ATOM 0 HD2 LYS A 113 9.493 5.875 13.074 1.00 0.00 H new ATOM 0 HD3 LYS A 113 9.899 6.823 14.491 1.00 0.00 H new ATOM 0 HE2 LYS A 113 8.173 8.458 13.957 1.00 0.00 H new ATOM 0 HE3 LYS A 113 7.829 7.655 12.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 6.287 7.184 14.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 6.944 5.815 13.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 7.540 6.316 15.050 1.00 0.00 H new ATOM 1894 N LYS A 114 13.360 6.996 9.918 1.00 0.00 N ATOM 1895 CA LYS A 114 14.749 6.554 10.160 1.00 0.00 C ATOM 1896 C LYS A 114 15.568 6.391 8.864 1.00 0.00 C ATOM 1897 O LYS A 114 16.515 5.615 8.819 1.00 0.00 O ATOM 1898 CB LYS A 114 14.720 5.262 10.992 1.00 0.00 C ATOM 1899 CG LYS A 114 14.042 5.360 12.368 1.00 0.00 C ATOM 1900 CD LYS A 114 14.781 6.260 13.348 1.00 0.00 C ATOM 1901 CE LYS A 114 14.281 6.064 14.760 1.00 0.00 C ATOM 1902 NZ LYS A 114 15.132 6.734 15.757 1.00 0.00 N ATOM 0 H LYS A 114 12.888 6.408 9.231 1.00 0.00 H new ATOM 0 HA LYS A 114 15.265 7.335 10.719 1.00 0.00 H new ATOM 0 HB2 LYS A 114 14.211 4.492 10.413 1.00 0.00 H new ATOM 0 HB3 LYS A 114 15.746 4.925 11.138 1.00 0.00 H new ATOM 0 HG2 LYS A 114 13.027 5.735 12.238 1.00 0.00 H new ATOM 0 HG3 LYS A 114 13.960 4.361 12.796 1.00 0.00 H new ATOM 0 HD2 LYS A 114 15.849 6.047 13.306 1.00 0.00 H new ATOM 0 HD3 LYS A 114 14.652 7.302 13.056 1.00 0.00 H new ATOM 0 HE2 LYS A 114 13.264 6.448 14.838 1.00 0.00 H new ATOM 0 HE3 LYS A 114 14.237 4.998 14.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 14.756 6.555 16.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 16.101 6.363 15.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 15.140 7.758 15.574 1.00 0.00 H new ATOM 1916 N ASN A 115 15.181 7.115 7.811 1.00 0.00 N ATOM 1917 CA ASN A 115 15.767 7.157 6.463 1.00 0.00 C ATOM 1918 C ASN A 115 17.281 7.155 6.403 1.00 0.00 C ATOM 1919 O ASN A 115 17.927 7.881 7.144 1.00 0.00 O ATOM 1920 CB ASN A 115 15.158 8.356 5.751 1.00 0.00 C ATOM 1921 CG ASN A 115 15.525 8.509 4.306 1.00 0.00 C ATOM 1922 OD1 ASN A 115 16.458 9.153 3.966 1.00 0.00 O ATOM 1923 ND2 ASN A 115 14.774 7.959 3.412 1.00 0.00 N ATOM 1924 OXT ASN A 115 17.851 6.417 5.615 1.00 0.00 O ATOM 0 H ASN A 115 14.380 7.742 7.883 1.00 0.00 H new ATOM 0 HA ASN A 115 15.520 6.223 5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 115 14.073 8.287 5.826 1.00 0.00 H new ATOM 0 HB3 ASN A 115 15.457 9.260 6.281 1.00 0.00 H new ATOM 0 HD21 ASN A 115 14.987 8.081 2.422 1.00 0.00 H new ATOM 0 HD22 ASN A 115 13.968 7.402 3.696 1.00 0.00 H new TER 1931 ASN A 115 HETATM 1932 ZN ZN A 116 -1.736 -1.262 1.902 1.00 1.00 ZN HETATM 1933 ZN ZN A 117 1.702 1.013 2.750 1.00 1.00 ZN HETATM 1934 O HOH A 118 1.033 -0.221 -1.085 1.00 1.00 O HETATM 1937 O HOH A 119 3.830 0.160 -1.339 1.00 1.00 O CONECT 182 1933 CONECT 741 1932 CONECT 1248 1932 CONECT 1249 1933 CONECT 1299 1932 CONECT 1726 1933 CONECT 1727 1932 CONECT 1781 1933 CONECT 1932 741 1248 1299 1727 CONECT 1933 182 1249 1726 1781 END