USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 722 hydrogens (0 hets) HEADER TRANSFERASE 06-DEC-99 1DK3 TITLE REFINED SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF DNA TITLE 2 POLYMERASE BETA COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA POLYMERASE BETA; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINAL DOMAIN, RESIDUES 1-87; COMPND 5 EC: 2.7.7.7; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: NORWAY RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PRSET-8K KEYWDS DNA-BINDING, DEOXYRIBOSE 5'-PHOSPHATE LYASE, KEYWDS 2 NUCLEOTIDYLTRANSFERASE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR M.W.MACIEJEWSKI,R.PRASAD,D.-J.LIU,S.H.WILSON,G.P.MULLEN REVDAT 3 24-FEB-09 1DK3 1 VERSN REVDAT 2 01-APR-03 1DK3 1 JRNL REVDAT 1 14-FEB-00 1DK3 0 JRNL AUTH M.W.MACIEJEWSKI,D.LIU,R.PRASAD,S.H.WILSON, JRNL AUTH 2 G.P.MULLEN JRNL TITL BACKBONE DYNAMICS AND REFINED SOLUTION STRUCTURE JRNL TITL 2 OF THE N-TERMINAL DOMAIN OF DNA POLYMERASE BETA. JRNL TITL 3 CORRELATION WITH DNA BINDING AND DRP LYASE JRNL TITL 4 ACTIVITY. JRNL REF J.MOL.BIOL. V. 296 229 2000 JRNL REFN ISSN 0022-2836 JRNL PMID 10656829 JRNL DOI 10.1006/JMBI.1999.3455 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH D.-J.LIU,R.PRASAD,S.H.WILSON,E.F.DEROSE,G.P.MULLEN REMARK 1 TITL THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE REMARK 1 TITL 2 N-TERMINAL DOMAIN OF DNA POLYMERASE BETA AND REMARK 1 TITL 3 MAPPING OF THE SSDNA INTERACTION INTERFACE REMARK 1 REF BIOCHEMISTRY V. 35 6188 1996 REMARK 1 REFN ISSN 0006-2960 REMARK 1 DOI 10.1021/BI952656O REMARK 1 REFERENCE 2 REMARK 1 AUTH D.-J.LIU,E.F.DEROSE,R.PRASAD,S.H.WILSON,G.P.MULLEN REMARK 1 TITL ASSIGNMENTS OF 1H, 15N, AND 13C RESONANCES FOR THE REMARK 1 TITL 2 BACKBONE AND SIDE CHAINS OF THE N-TERMINAL DOMAIN REMARK 1 TITL 3 OF DNA POLYMERASE BETA. DETERMINATION OF THE REMARK 1 TITL 4 SECONDARY STRUCTURE AND TERTIARY CONTACTS. REMARK 1 REF BIOCHEMISTRY V. 33 9537 1994 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 4.0 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE NMR RESTRAINTS INCLUDED 921 REMARK 3 USEFUL NOE DETERMINED UPPER DISTANCE RESTRAINTS, 41 HYDROGEN REMARK 3 BONDS, AND 135 PHI AND CHI TORSION ANGLE RESTRAINTS. REMARK 3 STRUCTURES WERE CALCULATED IN THE PROGRAM DYANA USING TORSION REMARK 3 ANGLE DYNAMICS. THE CALCULATION STARTED WITH 100 RANDOMIZED REMARK 3 STRUCTURES. THE 50 STRUCTURES WITH THE LOWEST TARGET FUNCTION REMARK 3 WERE THEN REFINED WITHIN XPLOR USING SIMULATED ANNEALING. THE REMARK 3 25 LOWEST ENERGY STRUCTURAL CONFORMERS WERE SELECTED TO REMARK 3 REPRESENT THE ENSEMBLE.THE 25 REFINED STRUCTURAL CONFORMERS REMARK 3 DISPLAYED NO NOE VIOLATIONS >0.3 ANGSTROMS AND NO DIHEDRAL REMARK 3 ANGLE VIOLATIONS >3 DEGREES. THE MINIMIZED AVERAGE STRUCTURE REMARK 3 WAS CALCULATED FROM THE MEAN POSITION OF THE COORDINATES FOR REMARK 3 THE 25 STRUCTURAL CONFORMERS AND WAS REFINED BY POWELL ENERGY REMARK 3 MINIMIZATION IN XPLOR USING FULL NMR RESTRAINTS. REMARK 4 REMARK 4 1DK3 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-DEC-99. REMARK 100 THE RCSB ID CODE IS RCSB010148. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300; 298 REMARK 210 PH : 6.7; 6.8 REMARK 210 IONIC STRENGTH : 400; 100 REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 2.8 MM RAT DNA POLYMERASE REMARK 210 BETA N-TERMINAL DOMAIN (2-87) REMARK 210 U-15N,13C; 5MM TRIS- D11; REMARK 210 400MM NACL; 2 MM RAT DNA REMARK 210 POLYMERASE BETA N-TERMINAL REMARK 210 DOMAIN (2-87) U-15N; 5MM TRIS- REMARK 210 D11; 100MM NACL; 4 MM RAT DNA REMARK 210 POLYMERASE BETA N-TERMINAL REMARK 210 DOMAIN (2-87) U-15N; 5MM TRIS- REMARK 210 D11; 400MM NACL; 2.8 MM RAT REMARK 210 DNA POLYMERASE BETA N-TERMINAL REMARK 210 DOMAIN (2-87) U-15N,13C; 5MM REMARK 210 TRIS- D11; 400MM NACL; 1.4 MM REMARK 210 RAT DNA POLYMERASE BETA N- REMARK 210 TERMINAL DOMAIN (2-87); 5MM REMARK 210 TRIS-D11; 400MM NACL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 3D_15N-SEPARATED_ REMARK 210 NOESY, 3D_13C-SEPARATED_NOESY, REMARK 210 HMQC-J REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : GN500, UNITYPLUS REMARK 210 SPECTROMETER MANUFACTURER : GE, VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : VNMR 4.3, FELIX 95, XEASY REMARK 210 1.3.13, DYANA 1.5 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS AND REMARK 210 SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: PROTEOLYTIC PROCESSING REMOVES THE N-TERMINAL MET IN A REMARK 210 BACTERIAL EXPRESSION SYSTEM (SEE KUMAR ET AL., (1990) J. BIOL. REMARK 210 CHEM. 265, 2124-2131). 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: 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 SER A 2 99.50 60.10 REMARK 500 LYS A 3 -40.85 84.83 REMARK 500 LEU A 11 -72.79 -89.60 REMARK 500 ASN A 12 44.28 -104.73 REMARK 500 SER A 30 -70.48 -77.27 REMARK 500 ALA A 32 57.26 -150.81 REMARK 500 ALA A 78 -79.46 -61.80 REMARK 500 ARG A 83 -179.31 -63.43 REMARK 500 LYS A 84 34.78 -98.54 REMARK 500 GLU A 86 34.51 -98.65 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1BNO RELATED DB: PDB REMARK 900 THIS IS THE PREVIOUS MINIMIZED AVERAGE STRUCTURE. REMARK 900 RELATED ID: 1BNP RELATED DB: PDB REMARK 900 THIS IS A PREVIOUS GROUP OF 55 STRUCTURAL CONFORMERS. DBREF 1DK3 A 1 87 UNP P06766 DPOB_RAT 1 87 SEQRES 1 A 87 MET SER LYS ARG LYS ALA PRO GLN GLU THR LEU ASN GLY SEQRES 2 A 87 GLY ILE THR ASP MET LEU VAL GLU LEU ALA ASN PHE GLU SEQRES 3 A 87 LYS ASN VAL SER GLN ALA ILE HIS LYS TYR ASN ALA TYR SEQRES 4 A 87 ARG LYS ALA ALA SER VAL ILE ALA LYS TYR PRO HIS LYS SEQRES 5 A 87 ILE LYS SER GLY ALA GLU ALA LYS LYS LEU PRO GLY VAL SEQRES 6 A 87 GLY THR LYS ILE ALA GLU LYS ILE ASP GLU PHE LEU ALA SEQRES 7 A 87 THR GLY LYS LEU ARG LYS LEU GLU LYS HELIX 1 1 GLY A 14 VAL A 29 1 16 HELIX 2 2 ILE A 33 LYS A 48 1 16 HELIX 3 3 SER A 55 LYS A 61 1 7 HELIX 4 4 THR A 67 THR A 79 1 13 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 Set 1.1: A 39 TYR OH : rot 30:sc= 0.417 USER MOD Set 1.2: A 72 LYS NZ :NH3+ -161:sc= 0.451 (180deg=0) USER MOD Set 2.1: A 24 ASN : amide:sc= 0 X(o=-1.5,f=-1.6) USER MOD Set 2.2: A 28 ASN : amide:sc= -1.48 K(o=-1.5,f=-4.3!) USER MOD Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.0496) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0217 (180deg=-0.211) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.642 X(o=-0.64,f=-0.64) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0667 USER MOD Single : A 12 ASN : amide:sc= -2.09 K(o=-2.1,f=-7.2!) USER MOD Single : A 16 THR OG1 : rot -146:sc= -1.41! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.531 X(o=-0.53,f=-0.22) USER MOD Single : A 34 HIS : no HD1:sc= -5.05 K(o=-5.1,f=-6.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.184 K(o=-0.18,f=-1.8!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -3.16 K(o=-3.2,f=-4!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 136:sc= 0.38 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -153:sc= -0.0861 (180deg=-0.527) USER MOD Single : A 87 LYS NZ :NH3+ -108:sc=-0.00318 (180deg=-0.0199) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.180 7.508 -23.193 1.00 13.85 N ATOM 2 CA MET A 1 13.848 6.614 -22.206 1.00 13.58 C ATOM 3 C MET A 1 12.873 5.519 -21.768 1.00 12.94 C ATOM 4 O MET A 1 12.926 5.039 -20.651 1.00 12.81 O ATOM 5 CB MET A 1 14.278 7.432 -20.986 1.00 13.85 C ATOM 6 CG MET A 1 15.711 7.929 -21.184 1.00 14.40 C ATOM 7 SD MET A 1 16.493 8.173 -19.570 1.00 14.95 S ATOM 8 CE MET A 1 15.588 9.669 -19.103 1.00 15.36 C ATOM 0 H1 MET A 1 13.751 8.367 -23.325 1.00 13.85 H new ATOM 0 H2 MET A 1 13.086 7.012 -24.102 1.00 13.85 H new ATOM 0 H3 MET A 1 12.237 7.769 -22.842 1.00 13.85 H new ATOM 0 HA MET A 1 14.725 6.157 -22.665 1.00 13.58 H new ATOM 0 HB2 MET A 1 13.605 8.278 -20.846 1.00 13.85 H new ATOM 0 HB3 MET A 1 14.215 6.822 -20.085 1.00 13.85 H new ATOM 0 HG2 MET A 1 16.280 7.207 -21.770 1.00 14.40 H new ATOM 0 HG3 MET A 1 15.709 8.864 -21.744 1.00 14.40 H new ATOM 0 HE1 MET A 1 16.015 10.082 -18.189 1.00 15.36 H new ATOM 0 HE2 MET A 1 15.664 10.405 -19.904 1.00 15.36 H new ATOM 0 HE3 MET A 1 14.540 9.422 -18.935 1.00 15.36 H new ATOM 18 N SER A 2 11.982 5.121 -22.643 1.00 12.73 N ATOM 19 CA SER A 2 10.994 4.054 -22.292 1.00 12.33 C ATOM 20 C SER A 2 10.145 4.509 -21.100 1.00 11.91 C ATOM 21 O SER A 2 10.570 4.426 -19.967 1.00 11.92 O ATOM 22 CB SER A 2 11.734 2.765 -21.928 1.00 12.54 C ATOM 23 OG SER A 2 10.815 1.681 -21.927 1.00 12.64 O ATOM 0 H SER A 2 11.896 5.491 -23.590 1.00 12.73 H new ATOM 0 HA SER A 2 10.346 3.870 -23.149 1.00 12.33 H new ATOM 0 HB2 SER A 2 12.535 2.577 -22.643 1.00 12.54 H new ATOM 0 HB3 SER A 2 12.199 2.864 -20.947 1.00 12.54 H new ATOM 0 HG SER A 2 11.286 0.853 -21.696 1.00 12.64 H new ATOM 29 N LYS A 3 8.949 4.991 -21.365 1.00 11.77 N ATOM 30 CA LYS A 3 8.012 5.473 -20.286 1.00 11.63 C ATOM 31 C LYS A 3 8.321 6.942 -19.914 1.00 11.13 C ATOM 32 O LYS A 3 7.417 7.730 -19.710 1.00 11.11 O ATOM 33 CB LYS A 3 8.036 4.519 -19.048 1.00 12.17 C ATOM 34 CG LYS A 3 8.905 5.052 -17.890 1.00 12.58 C ATOM 35 CD LYS A 3 8.067 5.986 -17.014 1.00 13.31 C ATOM 36 CE LYS A 3 8.527 5.872 -15.560 1.00 13.88 C ATOM 37 NZ LYS A 3 7.599 6.641 -14.683 1.00 14.52 N ATOM 0 H LYS A 3 8.572 5.073 -22.309 1.00 11.77 H new ATOM 0 HA LYS A 3 6.993 5.449 -20.672 1.00 11.63 H new ATOM 0 HB2 LYS A 3 7.017 4.371 -18.691 1.00 12.17 H new ATOM 0 HB3 LYS A 3 8.411 3.543 -19.356 1.00 12.17 H new ATOM 0 HG2 LYS A 3 9.286 4.222 -17.295 1.00 12.58 H new ATOM 0 HG3 LYS A 3 9.770 5.585 -18.285 1.00 12.58 H new ATOM 0 HD2 LYS A 3 8.170 7.015 -17.359 1.00 13.31 H new ATOM 0 HD3 LYS A 3 7.011 5.727 -17.094 1.00 13.31 H new ATOM 0 HE2 LYS A 3 8.549 4.826 -15.255 1.00 13.88 H new ATOM 0 HE3 LYS A 3 9.542 6.255 -15.458 1.00 13.88 H new ATOM 0 HZ1 LYS A 3 7.912 6.564 -13.694 1.00 14.52 H new ATOM 0 HZ2 LYS A 3 7.600 7.641 -14.969 1.00 14.52 H new ATOM 0 HZ3 LYS A 3 6.637 6.256 -14.773 1.00 14.52 H new ATOM 51 N ARG A 4 9.577 7.312 -19.825 1.00 10.94 N ATOM 52 CA ARG A 4 9.922 8.720 -19.469 1.00 10.68 C ATOM 53 C ARG A 4 10.300 9.489 -20.737 1.00 10.14 C ATOM 54 O ARG A 4 11.463 9.619 -21.069 1.00 10.05 O ATOM 55 CB ARG A 4 11.105 8.725 -18.498 1.00 10.84 C ATOM 56 CG ARG A 4 11.334 10.146 -17.979 1.00 11.22 C ATOM 57 CD ARG A 4 10.268 10.487 -16.936 1.00 11.66 C ATOM 58 NE ARG A 4 10.439 9.603 -15.741 1.00 12.03 N ATOM 59 CZ ARG A 4 9.601 9.651 -14.724 1.00 12.65 C ATOM 60 NH1 ARG A 4 8.579 10.476 -14.714 1.00 12.97 N ATOM 61 NH2 ARG A 4 9.792 8.861 -13.703 1.00 13.13 N ATOM 0 H ARG A 4 10.376 6.698 -19.984 1.00 10.94 H new ATOM 0 HA ARG A 4 9.063 9.197 -18.998 1.00 10.68 H new ATOM 0 HB2 ARG A 4 10.908 8.050 -17.665 1.00 10.84 H new ATOM 0 HB3 ARG A 4 12.002 8.361 -18.999 1.00 10.84 H new ATOM 0 HG2 ARG A 4 12.328 10.228 -17.539 1.00 11.22 H new ATOM 0 HG3 ARG A 4 11.291 10.857 -18.804 1.00 11.22 H new ATOM 0 HD2 ARG A 4 10.352 11.533 -16.643 1.00 11.66 H new ATOM 0 HD3 ARG A 4 9.273 10.354 -17.361 1.00 11.66 H new ATOM 0 HE ARG A 4 11.221 8.949 -15.712 1.00 12.03 H new ATOM 0 HH11 ARG A 4 8.419 11.099 -15.505 1.00 12.97 H new ATOM 0 HH12 ARG A 4 7.945 10.493 -13.915 1.00 12.97 H new ATOM 0 HH21 ARG A 4 10.582 8.216 -13.698 1.00 13.13 H new ATOM 0 HH22 ARG A 4 9.151 8.888 -12.910 1.00 13.13 H new ATOM 75 N LYS A 5 9.324 9.998 -21.444 1.00 10.00 N ATOM 76 CA LYS A 5 9.615 10.761 -22.693 1.00 9.70 C ATOM 77 C LYS A 5 9.694 12.254 -22.372 1.00 9.02 C ATOM 78 O LYS A 5 9.174 12.710 -21.371 1.00 9.11 O ATOM 79 CB LYS A 5 8.500 10.516 -23.712 1.00 10.19 C ATOM 80 CG LYS A 5 8.735 9.178 -24.416 1.00 10.68 C ATOM 81 CD LYS A 5 7.393 8.584 -24.845 1.00 11.20 C ATOM 82 CE LYS A 5 6.777 9.453 -25.943 1.00 11.91 C ATOM 83 NZ LYS A 5 5.367 9.032 -26.178 1.00 12.62 N ATOM 0 H LYS A 5 8.335 9.917 -21.208 1.00 10.00 H new ATOM 0 HA LYS A 5 10.566 10.428 -23.109 1.00 9.70 H new ATOM 0 HB2 LYS A 5 7.531 10.511 -23.212 1.00 10.19 H new ATOM 0 HB3 LYS A 5 8.477 11.324 -24.443 1.00 10.19 H new ATOM 0 HG2 LYS A 5 9.376 9.320 -25.286 1.00 10.68 H new ATOM 0 HG3 LYS A 5 9.252 8.490 -23.748 1.00 10.68 H new ATOM 0 HD2 LYS A 5 7.534 7.566 -25.208 1.00 11.20 H new ATOM 0 HD3 LYS A 5 6.719 8.527 -23.990 1.00 11.20 H new ATOM 0 HE2 LYS A 5 6.810 10.503 -25.652 1.00 11.91 H new ATOM 0 HE3 LYS A 5 7.354 9.358 -26.863 1.00 11.91 H new ATOM 0 HZ1 LYS A 5 4.948 9.623 -26.924 1.00 12.62 H new ATOM 0 HZ2 LYS A 5 5.347 8.035 -26.473 1.00 12.62 H new ATOM 0 HZ3 LYS A 5 4.820 9.144 -25.300 1.00 12.62 H new ATOM 97 N ALA A 6 10.340 13.018 -23.217 1.00 8.54 N ATOM 98 CA ALA A 6 10.459 14.485 -22.970 1.00 8.01 C ATOM 99 C ALA A 6 9.060 15.121 -22.984 1.00 7.34 C ATOM 100 O ALA A 6 8.099 14.469 -23.340 1.00 7.30 O ATOM 101 CB ALA A 6 11.318 15.118 -24.066 1.00 7.91 C ATOM 0 H ALA A 6 10.791 12.686 -24.070 1.00 8.54 H new ATOM 0 HA ALA A 6 10.926 14.654 -22.000 1.00 8.01 H new ATOM 0 HB1 ALA A 6 11.405 16.190 -23.886 1.00 7.91 H new ATOM 0 HB2 ALA A 6 12.310 14.666 -24.057 1.00 7.91 H new ATOM 0 HB3 ALA A 6 10.851 14.950 -25.037 1.00 7.91 H new ATOM 107 N PRO A 7 8.977 16.381 -22.598 1.00 7.12 N ATOM 108 CA PRO A 7 7.692 17.147 -22.554 1.00 6.74 C ATOM 109 C PRO A 7 7.398 17.780 -23.917 1.00 6.05 C ATOM 110 O PRO A 7 8.202 18.520 -24.452 1.00 6.07 O ATOM 111 CB PRO A 7 7.960 18.217 -21.504 1.00 7.22 C ATOM 112 CG PRO A 7 9.465 18.424 -21.443 1.00 7.63 C ATOM 113 CD PRO A 7 10.131 17.238 -22.148 1.00 7.58 C ATOM 0 HA PRO A 7 6.827 16.527 -22.318 1.00 6.74 H new ATOM 0 HB2 PRO A 7 7.455 19.147 -21.765 1.00 7.22 H new ATOM 0 HB3 PRO A 7 7.575 17.907 -20.532 1.00 7.22 H new ATOM 0 HG2 PRO A 7 9.742 19.360 -21.927 1.00 7.63 H new ATOM 0 HG3 PRO A 7 9.800 18.490 -20.408 1.00 7.63 H new ATOM 0 HD2 PRO A 7 10.737 17.566 -22.993 1.00 7.58 H new ATOM 0 HD3 PRO A 7 10.792 16.694 -21.474 1.00 7.58 H new ATOM 121 N GLN A 8 6.251 17.492 -24.478 1.00 5.81 N ATOM 122 CA GLN A 8 5.895 18.072 -25.806 1.00 5.50 C ATOM 123 C GLN A 8 5.795 19.594 -25.688 1.00 4.85 C ATOM 124 O GLN A 8 6.508 20.323 -26.353 1.00 4.94 O ATOM 125 CB GLN A 8 4.549 17.507 -26.265 1.00 5.94 C ATOM 126 CG GLN A 8 4.770 16.164 -26.964 1.00 6.47 C ATOM 127 CD GLN A 8 5.222 15.122 -25.939 1.00 7.02 C ATOM 128 OE1 GLN A 8 4.458 14.727 -25.081 1.00 7.32 O ATOM 129 NE2 GLN A 8 6.440 14.658 -25.993 1.00 7.50 N ATOM 0 H GLN A 8 5.545 16.878 -24.072 1.00 5.81 H new ATOM 0 HA GLN A 8 6.665 17.814 -26.533 1.00 5.50 H new ATOM 0 HB2 GLN A 8 3.886 17.379 -25.410 1.00 5.94 H new ATOM 0 HB3 GLN A 8 4.062 18.207 -26.944 1.00 5.94 H new ATOM 0 HG2 GLN A 8 3.849 15.838 -27.448 1.00 6.47 H new ATOM 0 HG3 GLN A 8 5.521 16.269 -27.747 1.00 6.47 H new ATOM 0 HE21 GLN A 8 7.081 14.990 -26.714 1.00 7.50 H new ATOM 0 HE22 GLN A 8 6.752 13.963 -25.315 1.00 7.50 H new ATOM 138 N GLU A 9 4.916 20.075 -24.847 1.00 4.52 N ATOM 139 CA GLU A 9 4.762 21.550 -24.678 1.00 4.06 C ATOM 140 C GLU A 9 5.559 22.009 -23.455 1.00 3.52 C ATOM 141 O GLU A 9 5.066 21.995 -22.342 1.00 4.02 O ATOM 142 CB GLU A 9 3.284 21.889 -24.480 1.00 4.67 C ATOM 143 CG GLU A 9 2.490 21.457 -25.714 1.00 5.48 C ATOM 144 CD GLU A 9 2.465 22.599 -26.731 1.00 6.03 C ATOM 145 OE1 GLU A 9 3.385 22.677 -27.528 1.00 6.48 O ATOM 146 OE2 GLU A 9 1.525 23.376 -26.696 1.00 6.31 O ATOM 0 H GLU A 9 4.297 19.507 -24.269 1.00 4.52 H new ATOM 0 HA GLU A 9 5.135 22.059 -25.567 1.00 4.06 H new ATOM 0 HB2 GLU A 9 2.900 21.385 -23.593 1.00 4.67 H new ATOM 0 HB3 GLU A 9 3.165 22.960 -24.315 1.00 4.67 H new ATOM 0 HG2 GLU A 9 2.942 20.570 -26.158 1.00 5.48 H new ATOM 0 HG3 GLU A 9 1.473 21.187 -25.429 1.00 5.48 H new ATOM 153 N THR A 10 6.787 22.415 -23.655 1.00 2.99 N ATOM 154 CA THR A 10 7.626 22.877 -22.510 1.00 2.94 C ATOM 155 C THR A 10 6.995 24.124 -21.887 1.00 2.24 C ATOM 156 O THR A 10 7.124 25.219 -22.403 1.00 2.54 O ATOM 157 CB THR A 10 9.032 23.213 -23.011 1.00 3.64 C ATOM 158 OG1 THR A 10 8.952 23.727 -24.334 1.00 3.77 O ATOM 159 CG2 THR A 10 9.894 21.950 -23.003 1.00 4.31 C ATOM 0 H THR A 10 7.246 22.446 -24.566 1.00 2.99 H new ATOM 0 HA THR A 10 7.686 22.087 -21.761 1.00 2.94 H new ATOM 0 HB THR A 10 9.482 23.961 -22.358 1.00 3.64 H new ATOM 0 HG1 THR A 10 9.852 23.944 -24.656 1.00 3.77 H new ATOM 0 HG21 THR A 10 10.895 22.191 -23.360 1.00 4.31 H new ATOM 0 HG22 THR A 10 9.955 21.558 -21.988 1.00 4.31 H new ATOM 0 HG23 THR A 10 9.447 21.200 -23.655 1.00 4.31 H new ATOM 167 N LEU A 11 6.315 23.964 -20.780 1.00 1.65 N ATOM 168 CA LEU A 11 5.671 25.134 -20.114 1.00 1.20 C ATOM 169 C LEU A 11 6.654 25.763 -19.124 1.00 1.16 C ATOM 170 O LEU A 11 7.188 26.830 -19.360 1.00 1.94 O ATOM 171 CB LEU A 11 4.420 24.671 -19.364 1.00 1.26 C ATOM 172 CG LEU A 11 3.351 24.235 -20.367 1.00 1.25 C ATOM 173 CD1 LEU A 11 2.157 23.643 -19.615 1.00 1.37 C ATOM 174 CD2 LEU A 11 2.889 25.447 -21.180 1.00 1.99 C ATOM 0 H LEU A 11 6.178 23.070 -20.308 1.00 1.65 H new ATOM 0 HA LEU A 11 5.391 25.871 -20.867 1.00 1.20 H new ATOM 0 HB2 LEU A 11 4.668 23.844 -18.699 1.00 1.26 H new ATOM 0 HB3 LEU A 11 4.039 25.479 -18.739 1.00 1.26 H new ATOM 0 HG LEU A 11 3.768 23.484 -21.038 1.00 1.25 H new ATOM 0 HD11 LEU A 11 1.395 23.332 -20.330 1.00 1.37 H new ATOM 0 HD12 LEU A 11 2.484 22.780 -19.035 1.00 1.37 H new ATOM 0 HD13 LEU A 11 1.741 24.395 -18.944 1.00 1.37 H new ATOM 0 HD21 LEU A 11 2.127 25.137 -21.895 1.00 1.99 H new ATOM 0 HD22 LEU A 11 2.472 26.198 -20.509 1.00 1.99 H new ATOM 0 HD23 LEU A 11 3.738 25.871 -21.716 1.00 1.99 H new ATOM 186 N ASN A 12 6.893 25.106 -18.018 1.00 0.77 N ATOM 187 CA ASN A 12 7.839 25.656 -17.003 1.00 0.72 C ATOM 188 C ASN A 12 9.160 24.882 -17.070 1.00 0.61 C ATOM 189 O ASN A 12 9.727 24.510 -16.059 1.00 0.65 O ATOM 190 CB ASN A 12 7.229 25.512 -15.605 1.00 0.93 C ATOM 191 CG ASN A 12 5.827 26.126 -15.587 1.00 0.94 C ATOM 192 OD1 ASN A 12 4.990 25.784 -16.399 1.00 1.99 O ATOM 193 ND2 ASN A 12 5.532 27.024 -14.687 1.00 0.86 N ATOM 0 H ASN A 12 6.472 24.210 -17.774 1.00 0.77 H new ATOM 0 HA ASN A 12 8.024 26.710 -17.209 1.00 0.72 H new ATOM 0 HB2 ASN A 12 7.179 24.459 -15.326 1.00 0.93 H new ATOM 0 HB3 ASN A 12 7.862 26.007 -14.869 1.00 0.93 H new ATOM 0 HD21 ASN A 12 4.600 27.438 -14.666 1.00 0.86 H new ATOM 0 HD22 ASN A 12 6.234 27.312 -14.005 1.00 0.86 H new ATOM 200 N GLY A 13 9.649 24.636 -18.259 1.00 0.63 N ATOM 201 CA GLY A 13 10.930 23.884 -18.409 1.00 0.64 C ATOM 202 C GLY A 13 12.125 24.849 -18.418 1.00 0.55 C ATOM 203 O GLY A 13 13.261 24.428 -18.298 1.00 0.59 O ATOM 0 H GLY A 13 9.214 24.925 -19.135 1.00 0.63 H new ATOM 0 HA2 GLY A 13 11.037 23.171 -17.591 1.00 0.64 H new ATOM 0 HA3 GLY A 13 10.914 23.308 -19.334 1.00 0.64 H new ATOM 207 N GLY A 14 11.887 26.134 -18.555 1.00 0.50 N ATOM 208 CA GLY A 14 13.017 27.108 -18.566 1.00 0.51 C ATOM 209 C GLY A 14 13.275 27.581 -17.139 1.00 0.43 C ATOM 210 O GLY A 14 14.401 27.811 -16.740 1.00 0.47 O ATOM 0 H GLY A 14 10.959 26.545 -18.659 1.00 0.50 H new ATOM 0 HA2 GLY A 14 13.913 26.642 -18.976 1.00 0.51 H new ATOM 0 HA3 GLY A 14 12.777 27.956 -19.207 1.00 0.51 H new ATOM 214 N ILE A 15 12.229 27.722 -16.370 1.00 0.38 N ATOM 215 CA ILE A 15 12.381 28.176 -14.962 1.00 0.36 C ATOM 216 C ILE A 15 13.057 27.078 -14.150 1.00 0.32 C ATOM 217 O ILE A 15 14.100 27.276 -13.558 1.00 0.31 O ATOM 218 CB ILE A 15 11.003 28.438 -14.354 1.00 0.38 C ATOM 219 CG1 ILE A 15 10.179 29.355 -15.267 1.00 0.44 C ATOM 220 CG2 ILE A 15 11.169 29.094 -12.984 1.00 0.44 C ATOM 221 CD1 ILE A 15 8.732 28.866 -15.283 1.00 0.50 C ATOM 0 H ILE A 15 11.269 27.540 -16.662 1.00 0.38 H new ATOM 0 HA ILE A 15 12.978 29.088 -14.945 1.00 0.36 H new ATOM 0 HB ILE A 15 10.478 27.489 -14.247 1.00 0.38 H new ATOM 0 HG12 ILE A 15 10.225 30.384 -14.909 1.00 0.44 H new ATOM 0 HG13 ILE A 15 10.590 29.350 -16.277 1.00 0.44 H new ATOM 0 HG21 ILE A 15 10.187 29.282 -12.549 1.00 0.44 H new ATOM 0 HG22 ILE A 15 11.735 28.431 -12.330 1.00 0.44 H new ATOM 0 HG23 ILE A 15 11.703 30.038 -13.095 1.00 0.44 H new ATOM 0 HD11 ILE A 15 8.137 29.511 -15.929 1.00 0.50 H new ATOM 0 HD12 ILE A 15 8.698 27.844 -15.660 1.00 0.50 H new ATOM 0 HD13 ILE A 15 8.327 28.894 -14.271 1.00 0.50 H new ATOM 233 N THR A 16 12.451 25.917 -14.110 1.00 0.33 N ATOM 234 CA THR A 16 13.023 24.784 -13.326 1.00 0.33 C ATOM 235 C THR A 16 14.486 24.539 -13.722 1.00 0.31 C ATOM 236 O THR A 16 15.290 24.108 -12.919 1.00 0.32 O ATOM 237 CB THR A 16 12.205 23.517 -13.594 1.00 0.40 C ATOM 238 OG1 THR A 16 12.797 22.421 -12.910 1.00 0.67 O ATOM 239 CG2 THR A 16 12.175 23.227 -15.096 1.00 0.65 C ATOM 0 H THR A 16 11.577 25.706 -14.592 1.00 0.33 H new ATOM 0 HA THR A 16 12.984 25.035 -12.266 1.00 0.33 H new ATOM 0 HB THR A 16 11.185 23.663 -13.238 1.00 0.40 H new ATOM 0 HG1 THR A 16 12.678 21.604 -13.437 1.00 0.67 H new ATOM 0 HG21 THR A 16 11.592 22.325 -15.281 1.00 0.65 H new ATOM 0 HG22 THR A 16 11.719 24.067 -15.620 1.00 0.65 H new ATOM 0 HG23 THR A 16 13.193 23.082 -15.459 1.00 0.65 H new ATOM 247 N ASP A 17 14.830 24.813 -14.954 1.00 0.33 N ATOM 248 CA ASP A 17 16.234 24.597 -15.410 1.00 0.34 C ATOM 249 C ASP A 17 17.171 25.560 -14.675 1.00 0.31 C ATOM 250 O ASP A 17 18.328 25.257 -14.447 1.00 0.32 O ATOM 251 CB ASP A 17 16.325 24.850 -16.916 1.00 0.39 C ATOM 252 CG ASP A 17 17.427 23.975 -17.516 1.00 0.89 C ATOM 253 OD1 ASP A 17 17.525 22.825 -17.120 1.00 1.47 O ATOM 254 OD2 ASP A 17 18.155 24.470 -18.361 1.00 1.67 O ATOM 0 H ASP A 17 14.196 25.178 -15.665 1.00 0.33 H new ATOM 0 HA ASP A 17 16.529 23.570 -15.193 1.00 0.34 H new ATOM 0 HB2 ASP A 17 15.370 24.627 -17.391 1.00 0.39 H new ATOM 0 HB3 ASP A 17 16.537 25.902 -17.106 1.00 0.39 H new ATOM 259 N MET A 18 16.680 26.716 -14.303 1.00 0.31 N ATOM 260 CA MET A 18 17.539 27.702 -13.585 1.00 0.32 C ATOM 261 C MET A 18 17.437 27.483 -12.073 1.00 0.28 C ATOM 262 O MET A 18 18.324 27.858 -11.326 1.00 0.30 O ATOM 263 CB MET A 18 17.076 29.121 -13.924 1.00 0.37 C ATOM 264 CG MET A 18 17.714 29.566 -15.241 1.00 0.81 C ATOM 265 SD MET A 18 19.322 30.326 -14.905 1.00 1.36 S ATOM 266 CE MET A 18 19.463 31.252 -16.454 1.00 1.91 C ATOM 0 H MET A 18 15.720 27.018 -14.467 1.00 0.31 H new ATOM 0 HA MET A 18 18.575 27.567 -13.897 1.00 0.32 H new ATOM 0 HB2 MET A 18 15.989 29.150 -14.006 1.00 0.37 H new ATOM 0 HB3 MET A 18 17.354 29.806 -13.123 1.00 0.37 H new ATOM 0 HG2 MET A 18 17.836 28.711 -15.906 1.00 0.81 H new ATOM 0 HG3 MET A 18 17.063 30.276 -15.751 1.00 0.81 H new ATOM 0 HE1 MET A 18 20.401 31.807 -16.462 1.00 1.91 H new ATOM 0 HE2 MET A 18 19.444 30.559 -17.295 1.00 1.91 H new ATOM 0 HE3 MET A 18 18.629 31.949 -16.539 1.00 1.91 H new ATOM 276 N LEU A 19 16.369 26.874 -11.615 1.00 0.27 N ATOM 277 CA LEU A 19 16.214 26.631 -10.154 1.00 0.28 C ATOM 278 C LEU A 19 16.862 25.297 -9.805 1.00 0.24 C ATOM 279 O LEU A 19 17.412 25.123 -8.735 1.00 0.28 O ATOM 280 CB LEU A 19 14.727 26.592 -9.796 1.00 0.34 C ATOM 281 CG LEU A 19 14.153 28.017 -9.825 1.00 0.35 C ATOM 282 CD1 LEU A 19 13.318 28.214 -11.092 1.00 0.58 C ATOM 283 CD2 LEU A 19 13.267 28.240 -8.594 1.00 0.34 C ATOM 0 H LEU A 19 15.600 26.536 -12.194 1.00 0.27 H new ATOM 0 HA LEU A 19 16.694 27.432 -9.592 1.00 0.28 H new ATOM 0 HB2 LEU A 19 14.189 25.958 -10.501 1.00 0.34 H new ATOM 0 HB3 LEU A 19 14.592 26.155 -8.807 1.00 0.34 H new ATOM 0 HG LEU A 19 14.975 28.733 -9.818 1.00 0.35 H new ATOM 0 HD11 LEU A 19 12.913 29.226 -11.107 1.00 0.58 H new ATOM 0 HD12 LEU A 19 13.946 28.061 -11.969 1.00 0.58 H new ATOM 0 HD13 LEU A 19 12.498 27.495 -11.103 1.00 0.58 H new ATOM 0 HD21 LEU A 19 12.861 29.251 -8.616 1.00 0.34 H new ATOM 0 HD22 LEU A 19 12.449 27.520 -8.600 1.00 0.34 H new ATOM 0 HD23 LEU A 19 13.861 28.107 -7.690 1.00 0.34 H new ATOM 295 N VAL A 20 16.803 24.359 -10.711 1.00 0.21 N ATOM 296 CA VAL A 20 17.415 23.028 -10.463 1.00 0.21 C ATOM 297 C VAL A 20 18.930 23.129 -10.667 1.00 0.21 C ATOM 298 O VAL A 20 19.699 22.443 -10.019 1.00 0.23 O ATOM 299 CB VAL A 20 16.817 22.017 -11.446 1.00 0.26 C ATOM 300 CG1 VAL A 20 17.418 20.636 -11.202 1.00 0.29 C ATOM 301 CG2 VAL A 20 15.302 21.948 -11.241 1.00 0.28 C ATOM 0 H VAL A 20 16.352 24.462 -11.620 1.00 0.21 H new ATOM 0 HA VAL A 20 17.213 22.701 -9.443 1.00 0.21 H new ATOM 0 HB VAL A 20 17.041 22.333 -12.465 1.00 0.26 H new ATOM 0 HG11 VAL A 20 16.988 19.923 -11.905 1.00 0.29 H new ATOM 0 HG12 VAL A 20 18.498 20.679 -11.344 1.00 0.29 H new ATOM 0 HG13 VAL A 20 17.198 20.319 -10.183 1.00 0.29 H new ATOM 0 HG21 VAL A 20 14.873 21.229 -11.939 1.00 0.28 H new ATOM 0 HG22 VAL A 20 15.087 21.635 -10.219 1.00 0.28 H new ATOM 0 HG23 VAL A 20 14.866 22.931 -11.418 1.00 0.28 H new ATOM 311 N GLU A 21 19.361 23.983 -11.561 1.00 0.22 N ATOM 312 CA GLU A 21 20.824 24.138 -11.812 1.00 0.24 C ATOM 313 C GLU A 21 21.483 24.796 -10.598 1.00 0.22 C ATOM 314 O GLU A 21 22.350 24.219 -9.963 1.00 0.22 O ATOM 315 CB GLU A 21 21.040 25.015 -13.048 1.00 0.29 C ATOM 316 CG GLU A 21 22.520 24.997 -13.434 1.00 0.80 C ATOM 317 CD GLU A 21 22.762 25.989 -14.574 1.00 1.46 C ATOM 318 OE1 GLU A 21 22.040 25.921 -15.555 1.00 2.15 O ATOM 319 OE2 GLU A 21 23.665 26.799 -14.445 1.00 2.11 O ATOM 0 H GLU A 21 18.760 24.581 -12.129 1.00 0.22 H new ATOM 0 HA GLU A 21 21.269 23.157 -11.980 1.00 0.24 H new ATOM 0 HB2 GLU A 21 20.433 24.650 -13.876 1.00 0.29 H new ATOM 0 HB3 GLU A 21 20.719 26.036 -12.843 1.00 0.29 H new ATOM 0 HG2 GLU A 21 23.135 25.259 -12.573 1.00 0.80 H new ATOM 0 HG3 GLU A 21 22.814 23.994 -13.742 1.00 0.80 H new ATOM 326 N LEU A 22 21.078 26.000 -10.265 1.00 0.23 N ATOM 327 CA LEU A 22 21.686 26.688 -9.089 1.00 0.23 C ATOM 328 C LEU A 22 21.401 25.870 -7.823 1.00 0.20 C ATOM 329 O LEU A 22 22.194 25.840 -6.903 1.00 0.22 O ATOM 330 CB LEU A 22 21.113 28.113 -8.958 1.00 0.27 C ATOM 331 CG LEU A 22 19.628 28.071 -8.573 1.00 0.31 C ATOM 332 CD1 LEU A 22 19.493 28.009 -7.045 1.00 0.73 C ATOM 333 CD2 LEU A 22 18.932 29.331 -9.094 1.00 0.60 C ATOM 0 H LEU A 22 20.357 26.530 -10.755 1.00 0.23 H new ATOM 0 HA LEU A 22 22.765 26.766 -9.225 1.00 0.23 H new ATOM 0 HB2 LEU A 22 21.673 28.667 -8.205 1.00 0.27 H new ATOM 0 HB3 LEU A 22 21.234 28.646 -9.901 1.00 0.27 H new ATOM 0 HG LEU A 22 19.165 27.188 -9.013 1.00 0.31 H new ATOM 0 HD11 LEU A 22 18.438 27.979 -6.774 1.00 0.73 H new ATOM 0 HD12 LEU A 22 19.989 27.113 -6.672 1.00 0.73 H new ATOM 0 HD13 LEU A 22 19.957 28.891 -6.603 1.00 0.73 H new ATOM 0 HD21 LEU A 22 17.877 29.303 -8.821 1.00 0.60 H new ATOM 0 HD22 LEU A 22 19.397 30.212 -8.653 1.00 0.60 H new ATOM 0 HD23 LEU A 22 19.025 29.376 -10.179 1.00 0.60 H new ATOM 345 N ALA A 23 20.269 25.198 -7.779 1.00 0.19 N ATOM 346 CA ALA A 23 19.915 24.368 -6.581 1.00 0.18 C ATOM 347 C ALA A 23 21.067 23.413 -6.262 1.00 0.19 C ATOM 348 O ALA A 23 21.460 23.258 -5.121 1.00 0.21 O ATOM 349 CB ALA A 23 18.653 23.555 -6.875 1.00 0.20 C ATOM 0 H ALA A 23 19.574 25.190 -8.526 1.00 0.19 H new ATOM 0 HA ALA A 23 19.736 25.024 -5.729 1.00 0.18 H new ATOM 0 HB1 ALA A 23 18.397 22.952 -6.003 1.00 0.20 H new ATOM 0 HB2 ALA A 23 17.829 24.231 -7.103 1.00 0.20 H new ATOM 0 HB3 ALA A 23 18.832 22.901 -7.728 1.00 0.20 H new ATOM 355 N ASN A 24 21.626 22.793 -7.273 1.00 0.21 N ATOM 356 CA ASN A 24 22.774 21.868 -7.046 1.00 0.24 C ATOM 357 C ASN A 24 23.934 22.686 -6.475 1.00 0.24 C ATOM 358 O ASN A 24 24.667 22.234 -5.618 1.00 0.27 O ATOM 359 CB ASN A 24 23.190 21.232 -8.379 1.00 0.29 C ATOM 360 CG ASN A 24 22.666 19.796 -8.449 1.00 0.92 C ATOM 361 OD1 ASN A 24 23.035 18.962 -7.645 1.00 1.57 O ATOM 362 ND2 ASN A 24 21.817 19.469 -9.384 1.00 1.66 N ATOM 0 H ASN A 24 21.335 22.890 -8.246 1.00 0.21 H new ATOM 0 HA ASN A 24 22.496 21.075 -6.352 1.00 0.24 H new ATOM 0 HB2 ASN A 24 22.794 21.815 -9.211 1.00 0.29 H new ATOM 0 HB3 ASN A 24 24.276 21.238 -8.473 1.00 0.29 H new ATOM 0 HD21 ASN A 24 21.463 18.514 -9.440 1.00 1.66 H new ATOM 0 HD22 ASN A 24 21.507 20.168 -10.059 1.00 1.66 H new ATOM 369 N PHE A 25 24.079 23.900 -6.940 1.00 0.24 N ATOM 370 CA PHE A 25 25.166 24.785 -6.428 1.00 0.27 C ATOM 371 C PHE A 25 24.939 25.076 -4.942 1.00 0.26 C ATOM 372 O PHE A 25 25.862 25.415 -4.226 1.00 0.30 O ATOM 373 CB PHE A 25 25.150 26.099 -7.210 1.00 0.31 C ATOM 374 CG PHE A 25 26.395 26.892 -6.896 1.00 0.35 C ATOM 375 CD1 PHE A 25 27.644 26.434 -7.330 1.00 1.25 C ATOM 376 CD2 PHE A 25 26.299 28.085 -6.170 1.00 1.24 C ATOM 377 CE1 PHE A 25 28.799 27.170 -7.038 1.00 1.27 C ATOM 378 CE2 PHE A 25 27.454 28.821 -5.879 1.00 1.26 C ATOM 379 CZ PHE A 25 28.704 28.364 -6.313 1.00 0.47 C ATOM 0 H PHE A 25 23.487 24.318 -7.657 1.00 0.24 H new ATOM 0 HA PHE A 25 26.129 24.290 -6.554 1.00 0.27 H new ATOM 0 HB2 PHE A 25 25.096 25.896 -8.280 1.00 0.31 H new ATOM 0 HB3 PHE A 25 24.263 26.677 -6.950 1.00 0.31 H new ATOM 0 HD1 PHE A 25 27.717 25.513 -7.890 1.00 1.25 H new ATOM 0 HD2 PHE A 25 25.335 28.437 -5.835 1.00 1.24 H new ATOM 0 HE1 PHE A 25 29.763 26.817 -7.372 1.00 1.27 H new ATOM 0 HE2 PHE A 25 27.381 29.742 -5.319 1.00 1.26 H new ATOM 0 HZ PHE A 25 29.595 28.932 -6.089 1.00 0.47 H new ATOM 389 N GLU A 26 23.721 24.949 -4.472 1.00 0.24 N ATOM 390 CA GLU A 26 23.444 25.222 -3.028 1.00 0.26 C ATOM 391 C GLU A 26 23.912 24.027 -2.194 1.00 0.24 C ATOM 392 O GLU A 26 24.730 24.163 -1.305 1.00 0.28 O ATOM 393 CB GLU A 26 21.938 25.445 -2.792 1.00 0.31 C ATOM 394 CG GLU A 26 21.312 26.288 -3.918 1.00 0.63 C ATOM 395 CD GLU A 26 22.047 27.626 -4.061 1.00 0.57 C ATOM 396 OE1 GLU A 26 23.232 27.604 -4.348 1.00 1.22 O ATOM 397 OE2 GLU A 26 21.407 28.650 -3.889 1.00 1.38 O ATOM 0 H GLU A 26 22.910 24.669 -5.024 1.00 0.24 H new ATOM 0 HA GLU A 26 23.980 26.124 -2.733 1.00 0.26 H new ATOM 0 HB2 GLU A 26 21.431 24.482 -2.732 1.00 0.31 H new ATOM 0 HB3 GLU A 26 21.788 25.945 -1.835 1.00 0.31 H new ATOM 0 HG2 GLU A 26 21.357 25.739 -4.859 1.00 0.63 H new ATOM 0 HG3 GLU A 26 20.258 26.467 -3.704 1.00 0.63 H new ATOM 404 N LYS A 27 23.397 22.857 -2.478 1.00 0.24 N ATOM 405 CA LYS A 27 23.805 21.646 -1.706 1.00 0.27 C ATOM 406 C LYS A 27 25.266 21.310 -2.015 1.00 0.29 C ATOM 407 O LYS A 27 26.022 20.938 -1.137 1.00 0.34 O ATOM 408 CB LYS A 27 22.915 20.464 -2.100 1.00 0.31 C ATOM 409 CG LYS A 27 23.225 19.268 -1.198 1.00 0.42 C ATOM 410 CD LYS A 27 23.041 17.971 -1.987 1.00 1.07 C ATOM 411 CE LYS A 27 23.239 16.774 -1.056 1.00 1.30 C ATOM 412 NZ LYS A 27 23.500 15.551 -1.867 1.00 2.09 N ATOM 0 H LYS A 27 22.710 22.689 -3.213 1.00 0.24 H new ATOM 0 HA LYS A 27 23.696 21.843 -0.640 1.00 0.27 H new ATOM 0 HB2 LYS A 27 21.864 20.740 -2.008 1.00 0.31 H new ATOM 0 HB3 LYS A 27 23.085 20.199 -3.144 1.00 0.31 H new ATOM 0 HG2 LYS A 27 24.247 19.337 -0.824 1.00 0.42 H new ATOM 0 HG3 LYS A 27 22.566 19.274 -0.329 1.00 0.42 H new ATOM 0 HD2 LYS A 27 22.045 17.940 -2.429 1.00 1.07 H new ATOM 0 HD3 LYS A 27 23.756 17.928 -2.809 1.00 1.07 H new ATOM 0 HE2 LYS A 27 24.074 16.960 -0.380 1.00 1.30 H new ATOM 0 HE3 LYS A 27 22.353 16.631 -0.437 1.00 1.30 H new ATOM 0 HZ1 LYS A 27 23.635 14.737 -1.234 1.00 2.09 H new ATOM 0 HZ2 LYS A 27 22.690 15.371 -2.495 1.00 2.09 H new ATOM 0 HZ3 LYS A 27 24.357 15.690 -2.439 1.00 2.09 H new ATOM 426 N ASN A 28 25.672 21.443 -3.256 1.00 0.28 N ATOM 427 CA ASN A 28 27.090 21.138 -3.627 1.00 0.34 C ATOM 428 C ASN A 28 28.038 22.020 -2.806 1.00 0.36 C ATOM 429 O ASN A 28 29.174 21.662 -2.559 1.00 0.41 O ATOM 430 CB ASN A 28 27.302 21.414 -5.117 1.00 0.38 C ATOM 431 CG ASN A 28 26.610 20.327 -5.941 1.00 0.55 C ATOM 432 OD1 ASN A 28 25.612 19.774 -5.524 1.00 1.11 O ATOM 433 ND2 ASN A 28 27.101 19.995 -7.104 1.00 1.25 N ATOM 0 H ASN A 28 25.081 21.750 -4.029 1.00 0.28 H new ATOM 0 HA ASN A 28 27.298 20.089 -3.419 1.00 0.34 H new ATOM 0 HB2 ASN A 28 26.900 22.393 -5.377 1.00 0.38 H new ATOM 0 HB3 ASN A 28 28.368 21.436 -5.346 1.00 0.38 H new ATOM 0 HD21 ASN A 28 26.647 19.272 -7.662 1.00 1.25 H new ATOM 0 HD22 ASN A 28 27.939 20.459 -7.455 1.00 1.25 H new ATOM 440 N VAL A 29 27.570 23.166 -2.376 1.00 0.33 N ATOM 441 CA VAL A 29 28.426 24.073 -1.563 1.00 0.35 C ATOM 442 C VAL A 29 28.245 23.708 -0.081 1.00 0.37 C ATOM 443 O VAL A 29 27.325 22.998 0.280 1.00 0.36 O ATOM 444 CB VAL A 29 28.005 25.528 -1.836 1.00 0.34 C ATOM 445 CG1 VAL A 29 28.716 26.489 -0.873 1.00 0.39 C ATOM 446 CG2 VAL A 29 28.385 25.894 -3.272 1.00 0.37 C ATOM 0 H VAL A 29 26.627 23.510 -2.556 1.00 0.33 H new ATOM 0 HA VAL A 29 29.479 23.966 -1.825 1.00 0.35 H new ATOM 0 HB VAL A 29 26.928 25.616 -1.690 1.00 0.34 H new ATOM 0 HG11 VAL A 29 28.404 27.512 -1.083 1.00 0.39 H new ATOM 0 HG12 VAL A 29 28.455 26.234 0.154 1.00 0.39 H new ATOM 0 HG13 VAL A 29 29.795 26.404 -1.005 1.00 0.39 H new ATOM 0 HG21 VAL A 29 28.091 26.924 -3.475 1.00 0.37 H new ATOM 0 HG22 VAL A 29 29.463 25.793 -3.400 1.00 0.37 H new ATOM 0 HG23 VAL A 29 27.873 25.227 -3.965 1.00 0.37 H new ATOM 456 N SER A 30 29.131 24.164 0.768 1.00 0.41 N ATOM 457 CA SER A 30 29.033 23.821 2.219 1.00 0.45 C ATOM 458 C SER A 30 27.950 24.657 2.908 1.00 0.43 C ATOM 459 O SER A 30 26.920 24.143 3.305 1.00 0.44 O ATOM 460 CB SER A 30 30.379 24.089 2.891 1.00 0.51 C ATOM 461 OG SER A 30 30.287 23.768 4.273 1.00 0.73 O ATOM 0 H SER A 30 29.920 24.760 0.518 1.00 0.41 H new ATOM 0 HA SER A 30 28.768 22.768 2.309 1.00 0.45 H new ATOM 0 HB2 SER A 30 31.159 23.492 2.419 1.00 0.51 H new ATOM 0 HB3 SER A 30 30.658 25.135 2.767 1.00 0.51 H new ATOM 0 HG SER A 30 31.150 23.937 4.706 1.00 0.73 H new ATOM 467 N GLN A 31 28.184 25.934 3.077 1.00 0.44 N ATOM 468 CA GLN A 31 27.181 26.801 3.767 1.00 0.46 C ATOM 469 C GLN A 31 26.105 27.270 2.780 1.00 0.42 C ATOM 470 O GLN A 31 25.931 28.455 2.554 1.00 0.43 O ATOM 471 CB GLN A 31 27.896 28.014 4.370 1.00 0.53 C ATOM 472 CG GLN A 31 28.646 27.590 5.634 1.00 0.99 C ATOM 473 CD GLN A 31 27.643 27.330 6.760 1.00 0.83 C ATOM 474 OE1 GLN A 31 27.226 28.246 7.440 1.00 1.07 O ATOM 475 NE2 GLN A 31 27.236 26.111 6.986 1.00 1.04 N ATOM 0 H GLN A 31 29.028 26.414 2.766 1.00 0.44 H new ATOM 0 HA GLN A 31 26.697 26.227 4.557 1.00 0.46 H new ATOM 0 HB2 GLN A 31 28.593 28.436 3.646 1.00 0.53 H new ATOM 0 HB3 GLN A 31 27.173 28.794 4.608 1.00 0.53 H new ATOM 0 HG2 GLN A 31 29.230 26.691 5.438 1.00 0.99 H new ATOM 0 HG3 GLN A 31 29.349 28.369 5.931 1.00 0.99 H new ATOM 0 HE21 GLN A 31 27.586 25.342 6.415 1.00 1.04 H new ATOM 0 HE22 GLN A 31 26.567 25.927 7.734 1.00 1.04 H new ATOM 484 N ALA A 32 25.374 26.351 2.198 1.00 0.38 N ATOM 485 CA ALA A 32 24.302 26.747 1.238 1.00 0.34 C ATOM 486 C ALA A 32 23.179 25.703 1.257 1.00 0.31 C ATOM 487 O ALA A 32 22.835 25.125 0.241 1.00 0.39 O ATOM 488 CB ALA A 32 24.891 26.857 -0.169 1.00 0.32 C ATOM 0 H ALA A 32 25.474 25.347 2.347 1.00 0.38 H new ATOM 0 HA ALA A 32 23.892 27.714 1.530 1.00 0.34 H new ATOM 0 HB1 ALA A 32 24.108 27.146 -0.870 1.00 0.32 H new ATOM 0 HB2 ALA A 32 25.680 27.609 -0.176 1.00 0.32 H new ATOM 0 HB3 ALA A 32 25.306 25.894 -0.466 1.00 0.32 H new ATOM 494 N ILE A 33 22.602 25.462 2.408 1.00 0.33 N ATOM 495 CA ILE A 33 21.498 24.462 2.503 1.00 0.32 C ATOM 496 C ILE A 33 20.154 25.207 2.595 1.00 0.33 C ATOM 497 O ILE A 33 19.139 24.722 2.145 1.00 0.35 O ATOM 498 CB ILE A 33 21.771 23.526 3.721 1.00 0.37 C ATOM 499 CG1 ILE A 33 21.860 22.071 3.238 1.00 0.36 C ATOM 500 CG2 ILE A 33 20.681 23.620 4.803 1.00 0.41 C ATOM 501 CD1 ILE A 33 23.016 21.915 2.244 1.00 0.34 C ATOM 0 H ILE A 33 22.850 25.916 3.287 1.00 0.33 H new ATOM 0 HA ILE A 33 21.451 23.830 1.616 1.00 0.32 H new ATOM 0 HB ILE A 33 22.711 23.852 4.167 1.00 0.37 H new ATOM 0 HG12 ILE A 33 22.009 21.406 4.089 1.00 0.36 H new ATOM 0 HG13 ILE A 33 20.922 21.779 2.766 1.00 0.36 H new ATOM 0 HG21 ILE A 33 20.925 22.947 5.625 1.00 0.41 H new ATOM 0 HG22 ILE A 33 20.626 24.643 5.176 1.00 0.41 H new ATOM 0 HG23 ILE A 33 19.719 23.337 4.376 1.00 0.41 H new ATOM 0 HD11 ILE A 33 23.070 20.879 1.908 1.00 0.34 H new ATOM 0 HD12 ILE A 33 22.849 22.566 1.386 1.00 0.34 H new ATOM 0 HD13 ILE A 33 23.953 22.188 2.730 1.00 0.34 H new ATOM 513 N HIS A 34 20.149 26.381 3.169 1.00 0.33 N ATOM 514 CA HIS A 34 18.869 27.161 3.276 1.00 0.35 C ATOM 515 C HIS A 34 18.384 27.501 1.863 1.00 0.30 C ATOM 516 O HIS A 34 17.232 27.296 1.520 1.00 0.30 O ATOM 517 CB HIS A 34 19.065 28.464 4.083 1.00 0.41 C ATOM 518 CG HIS A 34 20.412 29.082 3.799 1.00 0.41 C ATOM 519 ND1 HIS A 34 21.537 28.752 4.538 1.00 0.43 N ATOM 520 CD2 HIS A 34 20.836 29.986 2.857 1.00 0.41 C ATOM 521 CE1 HIS A 34 22.572 29.441 4.033 1.00 0.44 C ATOM 522 NE2 HIS A 34 22.201 30.213 3.007 1.00 0.43 N ATOM 0 H HIS A 34 20.969 26.837 3.569 1.00 0.33 H new ATOM 0 HA HIS A 34 18.132 26.553 3.801 1.00 0.35 H new ATOM 0 HB2 HIS A 34 18.276 29.173 3.832 1.00 0.41 H new ATOM 0 HB3 HIS A 34 18.976 28.252 5.149 1.00 0.41 H new ATOM 0 HD2 HIS A 34 20.206 30.450 2.113 1.00 0.41 H new ATOM 0 HE1 HIS A 34 23.582 29.379 4.410 1.00 0.44 H new ATOM 0 HE2 HIS A 34 22.791 30.834 2.453 1.00 0.43 H new ATOM 530 N LYS A 35 19.267 27.999 1.037 1.00 0.27 N ATOM 531 CA LYS A 35 18.880 28.338 -0.365 1.00 0.26 C ATOM 532 C LYS A 35 18.634 27.046 -1.154 1.00 0.22 C ATOM 533 O LYS A 35 17.927 27.043 -2.143 1.00 0.25 O ATOM 534 CB LYS A 35 19.996 29.151 -1.041 1.00 0.29 C ATOM 535 CG LYS A 35 21.362 28.489 -0.799 1.00 0.29 C ATOM 536 CD LYS A 35 22.149 29.277 0.261 1.00 0.61 C ATOM 537 CE LYS A 35 23.566 29.568 -0.246 1.00 0.87 C ATOM 538 NZ LYS A 35 23.649 30.985 -0.701 1.00 1.42 N ATOM 0 H LYS A 35 20.241 28.186 1.273 1.00 0.27 H new ATOM 0 HA LYS A 35 17.968 28.935 -0.348 1.00 0.26 H new ATOM 0 HB2 LYS A 35 19.804 29.224 -2.112 1.00 0.29 H new ATOM 0 HB3 LYS A 35 20.003 30.168 -0.649 1.00 0.29 H new ATOM 0 HG2 LYS A 35 21.223 27.459 -0.469 1.00 0.29 H new ATOM 0 HG3 LYS A 35 21.927 28.452 -1.730 1.00 0.29 H new ATOM 0 HD2 LYS A 35 21.636 30.212 0.486 1.00 0.61 H new ATOM 0 HD3 LYS A 35 22.196 28.707 1.189 1.00 0.61 H new ATOM 0 HE2 LYS A 35 24.292 29.386 0.546 1.00 0.87 H new ATOM 0 HE3 LYS A 35 23.815 28.896 -1.067 1.00 0.87 H new ATOM 0 HZ1 LYS A 35 24.610 31.183 -1.045 1.00 1.42 H new ATOM 0 HZ2 LYS A 35 22.966 31.143 -1.470 1.00 1.42 H new ATOM 0 HZ3 LYS A 35 23.428 31.618 0.094 1.00 1.42 H new ATOM 552 N TYR A 36 19.206 25.945 -0.721 1.00 0.20 N ATOM 553 CA TYR A 36 19.005 24.645 -1.436 1.00 0.19 C ATOM 554 C TYR A 36 17.503 24.343 -1.551 1.00 0.22 C ATOM 555 O TYR A 36 16.939 24.367 -2.628 1.00 0.25 O ATOM 556 CB TYR A 36 19.702 23.533 -0.642 1.00 0.23 C ATOM 557 CG TYR A 36 19.569 22.209 -1.357 1.00 0.22 C ATOM 558 CD1 TYR A 36 19.908 22.100 -2.710 1.00 1.15 C ATOM 559 CD2 TYR A 36 19.109 21.089 -0.658 1.00 1.16 C ATOM 560 CE1 TYR A 36 19.786 20.870 -3.364 1.00 1.17 C ATOM 561 CE2 TYR A 36 18.987 19.858 -1.310 1.00 1.16 C ATOM 562 CZ TYR A 36 19.325 19.748 -2.664 1.00 0.29 C ATOM 563 OH TYR A 36 19.205 18.533 -3.309 1.00 0.34 O ATOM 0 H TYR A 36 19.807 25.893 0.102 1.00 0.20 H new ATOM 0 HA TYR A 36 19.429 24.703 -2.439 1.00 0.19 H new ATOM 0 HB2 TYR A 36 20.756 23.778 -0.511 1.00 0.23 H new ATOM 0 HB3 TYR A 36 19.265 23.461 0.354 1.00 0.23 H new ATOM 0 HD1 TYR A 36 20.264 22.966 -3.249 1.00 1.15 H new ATOM 0 HD2 TYR A 36 18.848 21.175 0.386 1.00 1.16 H new ATOM 0 HE1 TYR A 36 20.047 20.785 -4.409 1.00 1.17 H new ATOM 0 HE2 TYR A 36 18.632 18.993 -0.769 1.00 1.16 H new ATOM 0 HH TYR A 36 18.873 17.860 -2.679 1.00 0.34 H new ATOM 573 N ASN A 37 16.854 24.067 -0.445 1.00 0.26 N ATOM 574 CA ASN A 37 15.387 23.771 -0.473 1.00 0.31 C ATOM 575 C ASN A 37 14.630 24.918 -1.158 1.00 0.30 C ATOM 576 O ASN A 37 13.547 24.730 -1.680 1.00 0.33 O ATOM 577 CB ASN A 37 14.875 23.611 0.960 1.00 0.36 C ATOM 578 CG ASN A 37 15.072 22.164 1.415 1.00 1.00 C ATOM 579 OD1 ASN A 37 14.975 21.247 0.623 1.00 1.83 O ATOM 580 ND2 ASN A 37 15.346 21.917 2.666 1.00 1.68 N ATOM 0 H ASN A 37 17.280 24.034 0.481 1.00 0.26 H new ATOM 0 HA ASN A 37 15.220 22.850 -1.031 1.00 0.31 H new ATOM 0 HB2 ASN A 37 15.409 24.288 1.626 1.00 0.36 H new ATOM 0 HB3 ASN A 37 13.820 23.879 1.012 1.00 0.36 H new ATOM 0 HD21 ASN A 37 15.479 20.955 2.979 1.00 1.68 H new ATOM 0 HD22 ASN A 37 15.428 22.686 3.332 1.00 1.68 H new ATOM 587 N ALA A 38 15.199 26.103 -1.171 1.00 0.27 N ATOM 588 CA ALA A 38 14.526 27.266 -1.833 1.00 0.28 C ATOM 589 C ALA A 38 14.185 26.916 -3.287 1.00 0.28 C ATOM 590 O ALA A 38 13.036 26.922 -3.687 1.00 0.34 O ATOM 591 CB ALA A 38 15.476 28.466 -1.818 1.00 0.27 C ATOM 0 H ALA A 38 16.104 26.314 -0.750 1.00 0.27 H new ATOM 0 HA ALA A 38 13.608 27.505 -1.296 1.00 0.28 H new ATOM 0 HB1 ALA A 38 14.994 29.318 -2.298 1.00 0.27 H new ATOM 0 HB2 ALA A 38 15.723 28.722 -0.788 1.00 0.27 H new ATOM 0 HB3 ALA A 38 16.389 28.214 -2.358 1.00 0.27 H new ATOM 597 N TYR A 39 15.182 26.617 -4.076 1.00 0.26 N ATOM 598 CA TYR A 39 14.939 26.276 -5.508 1.00 0.28 C ATOM 599 C TYR A 39 14.612 24.787 -5.642 1.00 0.29 C ATOM 600 O TYR A 39 13.928 24.378 -6.561 1.00 0.32 O ATOM 601 CB TYR A 39 16.192 26.604 -6.326 1.00 0.29 C ATOM 602 CG TYR A 39 16.592 28.041 -6.079 1.00 0.29 C ATOM 603 CD1 TYR A 39 17.377 28.367 -4.967 1.00 1.12 C ATOM 604 CD2 TYR A 39 16.175 29.045 -6.959 1.00 1.35 C ATOM 605 CE1 TYR A 39 17.745 29.697 -4.734 1.00 1.10 C ATOM 606 CE2 TYR A 39 16.544 30.375 -6.728 1.00 1.40 C ATOM 607 CZ TYR A 39 17.329 30.702 -5.615 1.00 0.41 C ATOM 608 OH TYR A 39 17.692 32.013 -5.387 1.00 0.49 O ATOM 0 H TYR A 39 16.160 26.594 -3.788 1.00 0.26 H new ATOM 0 HA TYR A 39 14.096 26.859 -5.880 1.00 0.28 H new ATOM 0 HB2 TYR A 39 17.007 25.935 -6.048 1.00 0.29 H new ATOM 0 HB3 TYR A 39 15.999 26.446 -7.387 1.00 0.29 H new ATOM 0 HD1 TYR A 39 17.699 27.591 -4.288 1.00 1.12 H new ATOM 0 HD2 TYR A 39 15.568 28.794 -7.817 1.00 1.35 H new ATOM 0 HE1 TYR A 39 18.350 29.948 -3.875 1.00 1.10 H new ATOM 0 HE2 TYR A 39 16.223 31.150 -7.408 1.00 1.40 H new ATOM 0 HH TYR A 39 18.556 32.038 -4.926 1.00 0.49 H new ATOM 618 N ARG A 40 15.092 23.974 -4.735 1.00 0.33 N ATOM 619 CA ARG A 40 14.806 22.511 -4.810 1.00 0.36 C ATOM 620 C ARG A 40 13.303 22.279 -4.641 1.00 0.36 C ATOM 621 O ARG A 40 12.711 21.468 -5.328 1.00 0.42 O ATOM 622 CB ARG A 40 15.563 21.783 -3.697 1.00 0.40 C ATOM 623 CG ARG A 40 15.944 20.379 -4.171 1.00 0.71 C ATOM 624 CD ARG A 40 14.677 19.547 -4.380 1.00 0.92 C ATOM 625 NE ARG A 40 14.951 18.122 -4.019 1.00 1.29 N ATOM 626 CZ ARG A 40 14.079 17.167 -4.279 1.00 1.76 C ATOM 627 NH1 ARG A 40 12.933 17.423 -4.866 1.00 2.34 N ATOM 628 NH2 ARG A 40 14.363 15.938 -3.945 1.00 2.34 N ATOM 0 H ARG A 40 15.670 24.262 -3.945 1.00 0.33 H new ATOM 0 HA ARG A 40 15.128 22.127 -5.778 1.00 0.36 H new ATOM 0 HB2 ARG A 40 16.459 22.342 -3.426 1.00 0.40 H new ATOM 0 HB3 ARG A 40 14.944 21.720 -2.802 1.00 0.40 H new ATOM 0 HG2 ARG A 40 16.509 20.439 -5.101 1.00 0.71 H new ATOM 0 HG3 ARG A 40 16.590 19.899 -3.436 1.00 0.71 H new ATOM 0 HD2 ARG A 40 13.866 19.939 -3.766 1.00 0.92 H new ATOM 0 HD3 ARG A 40 14.352 19.614 -5.418 1.00 0.92 H new ATOM 0 HE ARG A 40 15.831 17.883 -3.562 1.00 1.29 H new ATOM 0 HH11 ARG A 40 12.699 18.379 -5.133 1.00 2.34 H new ATOM 0 HH12 ARG A 40 12.277 16.666 -5.055 1.00 2.34 H new ATOM 0 HH21 ARG A 40 15.250 15.726 -3.489 1.00 2.34 H new ATOM 0 HH22 ARG A 40 13.698 15.190 -4.140 1.00 2.34 H new ATOM 642 N LYS A 41 12.685 22.987 -3.730 1.00 0.36 N ATOM 643 CA LYS A 41 11.219 22.815 -3.506 1.00 0.39 C ATOM 644 C LYS A 41 10.442 23.598 -4.566 1.00 0.35 C ATOM 645 O LYS A 41 9.498 23.098 -5.149 1.00 0.40 O ATOM 646 CB LYS A 41 10.852 23.338 -2.115 1.00 0.44 C ATOM 647 CG LYS A 41 11.398 22.385 -1.050 1.00 1.18 C ATOM 648 CD LYS A 41 10.464 22.384 0.162 1.00 1.43 C ATOM 649 CE LYS A 41 10.621 21.068 0.926 1.00 1.95 C ATOM 650 NZ LYS A 41 9.630 21.018 2.038 1.00 2.38 N ATOM 0 H LYS A 41 13.135 23.679 -3.130 1.00 0.36 H new ATOM 0 HA LYS A 41 10.963 21.758 -3.578 1.00 0.39 H new ATOM 0 HB2 LYS A 41 11.264 24.337 -1.970 1.00 0.44 H new ATOM 0 HB3 LYS A 41 9.769 23.423 -2.021 1.00 0.44 H new ATOM 0 HG2 LYS A 41 11.483 21.378 -1.458 1.00 1.18 H new ATOM 0 HG3 LYS A 41 12.400 22.693 -0.750 1.00 1.18 H new ATOM 0 HD2 LYS A 41 10.697 23.226 0.814 1.00 1.43 H new ATOM 0 HD3 LYS A 41 9.431 22.508 -0.162 1.00 1.43 H new ATOM 0 HE2 LYS A 41 10.471 20.224 0.253 1.00 1.95 H new ATOM 0 HE3 LYS A 41 11.633 20.984 1.322 1.00 1.95 H new ATOM 0 HZ1 LYS A 41 9.736 20.123 2.558 1.00 2.38 H new ATOM 0 HZ2 LYS A 41 9.793 21.816 2.685 1.00 2.38 H new ATOM 0 HZ3 LYS A 41 8.668 21.080 1.648 1.00 2.38 H new ATOM 664 N ALA A 42 10.831 24.823 -4.818 1.00 0.32 N ATOM 665 CA ALA A 42 10.117 25.647 -5.839 1.00 0.31 C ATOM 666 C ALA A 42 10.255 24.990 -7.214 1.00 0.33 C ATOM 667 O ALA A 42 9.310 24.929 -7.977 1.00 0.45 O ATOM 668 CB ALA A 42 10.725 27.049 -5.881 1.00 0.34 C ATOM 0 H ALA A 42 11.614 25.288 -4.359 1.00 0.32 H new ATOM 0 HA ALA A 42 9.062 25.717 -5.574 1.00 0.31 H new ATOM 0 HB1 ALA A 42 10.203 27.650 -6.626 1.00 0.34 H new ATOM 0 HB2 ALA A 42 10.625 27.518 -4.902 1.00 0.34 H new ATOM 0 HB3 ALA A 42 11.780 26.980 -6.144 1.00 0.34 H new ATOM 674 N ALA A 43 11.424 24.498 -7.531 1.00 0.29 N ATOM 675 CA ALA A 43 11.631 23.842 -8.856 1.00 0.33 C ATOM 676 C ALA A 43 10.817 22.548 -8.917 1.00 0.32 C ATOM 677 O ALA A 43 10.385 22.129 -9.972 1.00 0.40 O ATOM 678 CB ALA A 43 13.114 23.518 -9.039 1.00 0.39 C ATOM 0 H ALA A 43 12.246 24.522 -6.928 1.00 0.29 H new ATOM 0 HA ALA A 43 11.305 24.515 -9.649 1.00 0.33 H new ATOM 0 HB1 ALA A 43 13.265 23.039 -10.006 1.00 0.39 H new ATOM 0 HB2 ALA A 43 13.696 24.439 -8.995 1.00 0.39 H new ATOM 0 HB3 ALA A 43 13.440 22.845 -8.246 1.00 0.39 H new ATOM 684 N SER A 44 10.612 21.913 -7.791 1.00 0.31 N ATOM 685 CA SER A 44 9.832 20.640 -7.774 1.00 0.38 C ATOM 686 C SER A 44 8.374 20.917 -8.152 1.00 0.37 C ATOM 687 O SER A 44 7.838 20.316 -9.064 1.00 0.51 O ATOM 688 CB SER A 44 9.886 20.030 -6.373 1.00 0.43 C ATOM 689 OG SER A 44 9.276 18.746 -6.396 1.00 1.20 O ATOM 0 H SER A 44 10.952 22.223 -6.881 1.00 0.31 H new ATOM 0 HA SER A 44 10.264 19.945 -8.494 1.00 0.38 H new ATOM 0 HB2 SER A 44 10.920 19.948 -6.039 1.00 0.43 H new ATOM 0 HB3 SER A 44 9.372 20.677 -5.662 1.00 0.43 H new ATOM 0 HG SER A 44 9.310 18.351 -5.500 1.00 1.20 H new ATOM 695 N VAL A 45 7.728 21.815 -7.451 1.00 0.30 N ATOM 696 CA VAL A 45 6.300 22.127 -7.758 1.00 0.36 C ATOM 697 C VAL A 45 6.181 22.699 -9.178 1.00 0.36 C ATOM 698 O VAL A 45 5.306 22.317 -9.930 1.00 0.50 O ATOM 699 CB VAL A 45 5.763 23.136 -6.728 1.00 0.41 C ATOM 700 CG1 VAL A 45 6.585 24.426 -6.779 1.00 0.38 C ATOM 701 CG2 VAL A 45 4.290 23.455 -7.024 1.00 0.53 C ATOM 0 H VAL A 45 8.129 22.346 -6.678 1.00 0.30 H new ATOM 0 HA VAL A 45 5.709 21.213 -7.702 1.00 0.36 H new ATOM 0 HB VAL A 45 5.844 22.698 -5.733 1.00 0.41 H new ATOM 0 HG11 VAL A 45 6.197 25.134 -6.046 1.00 0.38 H new ATOM 0 HG12 VAL A 45 7.627 24.203 -6.551 1.00 0.38 H new ATOM 0 HG13 VAL A 45 6.517 24.862 -7.776 1.00 0.38 H new ATOM 0 HG21 VAL A 45 3.918 24.170 -6.290 1.00 0.53 H new ATOM 0 HG22 VAL A 45 4.204 23.882 -8.023 1.00 0.53 H new ATOM 0 HG23 VAL A 45 3.701 22.539 -6.969 1.00 0.53 H new ATOM 711 N ILE A 46 7.048 23.610 -9.545 1.00 0.25 N ATOM 712 CA ILE A 46 6.977 24.208 -10.913 1.00 0.27 C ATOM 713 C ILE A 46 7.322 23.143 -11.960 1.00 0.28 C ATOM 714 O ILE A 46 6.596 22.948 -12.917 1.00 0.40 O ATOM 715 CB ILE A 46 7.966 25.377 -11.010 1.00 0.30 C ATOM 716 CG1 ILE A 46 7.629 26.416 -9.937 1.00 0.32 C ATOM 717 CG2 ILE A 46 7.864 26.032 -12.391 1.00 0.38 C ATOM 718 CD1 ILE A 46 8.708 27.501 -9.917 1.00 0.55 C ATOM 0 H ILE A 46 7.801 23.965 -8.956 1.00 0.25 H new ATOM 0 HA ILE A 46 5.967 24.575 -11.099 1.00 0.27 H new ATOM 0 HB ILE A 46 8.979 25.003 -10.860 1.00 0.30 H new ATOM 0 HG12 ILE A 46 6.655 26.861 -10.140 1.00 0.32 H new ATOM 0 HG13 ILE A 46 7.563 25.937 -8.960 1.00 0.32 H new ATOM 0 HG21 ILE A 46 8.569 26.861 -12.453 1.00 0.38 H new ATOM 0 HG22 ILE A 46 8.100 25.297 -13.161 1.00 0.38 H new ATOM 0 HG23 ILE A 46 6.851 26.405 -12.543 1.00 0.38 H new ATOM 0 HD11 ILE A 46 8.467 28.240 -9.153 1.00 0.55 H new ATOM 0 HD12 ILE A 46 9.674 27.049 -9.693 1.00 0.55 H new ATOM 0 HD13 ILE A 46 8.753 27.988 -10.891 1.00 0.55 H new ATOM 730 N ALA A 47 8.424 22.458 -11.788 1.00 0.33 N ATOM 731 CA ALA A 47 8.822 21.407 -12.774 1.00 0.38 C ATOM 732 C ALA A 47 7.743 20.319 -12.852 1.00 0.41 C ATOM 733 O ALA A 47 7.658 19.595 -13.827 1.00 0.47 O ATOM 734 CB ALA A 47 10.146 20.775 -12.340 1.00 0.42 C ATOM 0 H ALA A 47 9.067 22.581 -11.006 1.00 0.33 H new ATOM 0 HA ALA A 47 8.936 21.868 -13.755 1.00 0.38 H new ATOM 0 HB1 ALA A 47 10.436 20.009 -13.059 1.00 0.42 H new ATOM 0 HB2 ALA A 47 10.919 21.543 -12.296 1.00 0.42 H new ATOM 0 HB3 ALA A 47 10.028 20.323 -11.355 1.00 0.42 H new ATOM 740 N LYS A 48 6.922 20.195 -11.837 1.00 0.40 N ATOM 741 CA LYS A 48 5.854 19.152 -11.857 1.00 0.47 C ATOM 742 C LYS A 48 4.478 19.821 -11.794 1.00 0.38 C ATOM 743 O LYS A 48 3.522 19.243 -11.311 1.00 0.40 O ATOM 744 CB LYS A 48 6.024 18.230 -10.650 1.00 0.58 C ATOM 745 CG LYS A 48 5.277 16.918 -10.899 1.00 0.75 C ATOM 746 CD LYS A 48 5.152 16.144 -9.586 1.00 1.46 C ATOM 747 CE LYS A 48 5.201 14.642 -9.871 1.00 1.99 C ATOM 748 NZ LYS A 48 4.562 13.901 -8.747 1.00 2.71 N ATOM 0 H LYS A 48 6.947 20.772 -10.996 1.00 0.40 H new ATOM 0 HA LYS A 48 5.932 18.572 -12.777 1.00 0.47 H new ATOM 0 HB2 LYS A 48 7.082 18.031 -10.477 1.00 0.58 H new ATOM 0 HB3 LYS A 48 5.640 18.714 -9.752 1.00 0.58 H new ATOM 0 HG2 LYS A 48 4.288 17.123 -11.308 1.00 0.75 H new ATOM 0 HG3 LYS A 48 5.810 16.319 -11.637 1.00 0.75 H new ATOM 0 HD2 LYS A 48 5.960 16.423 -8.909 1.00 1.46 H new ATOM 0 HD3 LYS A 48 4.217 16.400 -9.089 1.00 1.46 H new ATOM 0 HE2 LYS A 48 4.685 14.422 -10.806 1.00 1.99 H new ATOM 0 HE3 LYS A 48 6.235 14.318 -9.993 1.00 1.99 H new ATOM 0 HZ1 LYS A 48 4.595 12.880 -8.941 1.00 2.71 H new ATOM 0 HZ2 LYS A 48 5.073 14.103 -7.864 1.00 2.71 H new ATOM 0 HZ3 LYS A 48 3.571 14.203 -8.651 1.00 2.71 H new ATOM 762 N TYR A 49 4.372 21.033 -12.277 1.00 0.32 N ATOM 763 CA TYR A 49 3.061 21.743 -12.247 1.00 0.30 C ATOM 764 C TYR A 49 2.306 21.465 -13.560 1.00 0.34 C ATOM 765 O TYR A 49 2.921 21.407 -14.606 1.00 0.39 O ATOM 766 CB TYR A 49 3.308 23.253 -12.100 1.00 0.29 C ATOM 767 CG TYR A 49 2.139 23.927 -11.405 1.00 0.33 C ATOM 768 CD1 TYR A 49 1.578 23.367 -10.248 1.00 1.26 C ATOM 769 CD2 TYR A 49 1.623 25.124 -11.916 1.00 1.23 C ATOM 770 CE1 TYR A 49 0.505 23.999 -9.610 1.00 1.27 C ATOM 771 CE2 TYR A 49 0.551 25.757 -11.276 1.00 1.29 C ATOM 772 CZ TYR A 49 -0.008 25.194 -10.124 1.00 0.55 C ATOM 773 OH TYR A 49 -1.065 25.818 -9.493 1.00 0.68 O ATOM 0 H TYR A 49 5.140 21.561 -12.691 1.00 0.32 H new ATOM 0 HA TYR A 49 2.466 21.390 -11.405 1.00 0.30 H new ATOM 0 HB2 TYR A 49 4.222 23.422 -11.531 1.00 0.29 H new ATOM 0 HB3 TYR A 49 3.458 23.699 -13.083 1.00 0.29 H new ATOM 0 HD1 TYR A 49 1.975 22.446 -9.848 1.00 1.26 H new ATOM 0 HD2 TYR A 49 2.053 25.560 -12.806 1.00 1.23 H new ATOM 0 HE1 TYR A 49 0.073 23.564 -8.721 1.00 1.27 H new ATOM 0 HE2 TYR A 49 0.155 26.681 -11.672 1.00 1.29 H new ATOM 0 HH TYR A 49 -1.298 26.637 -9.978 1.00 0.68 H new ATOM 783 N PRO A 50 0.997 21.298 -13.484 1.00 0.39 N ATOM 784 CA PRO A 50 0.140 21.021 -14.679 1.00 0.49 C ATOM 785 C PRO A 50 -0.276 22.322 -15.375 1.00 0.54 C ATOM 786 O PRO A 50 -1.062 22.302 -16.304 1.00 0.64 O ATOM 787 CB PRO A 50 -1.077 20.323 -14.088 1.00 0.56 C ATOM 788 CG PRO A 50 -1.179 20.747 -12.633 1.00 0.52 C ATOM 789 CD PRO A 50 0.164 21.359 -12.228 1.00 0.42 C ATOM 0 HA PRO A 50 0.654 20.427 -15.435 1.00 0.49 H new ATOM 0 HB2 PRO A 50 -1.980 20.598 -14.633 1.00 0.56 H new ATOM 0 HB3 PRO A 50 -0.975 19.241 -14.167 1.00 0.56 H new ATOM 0 HG2 PRO A 50 -1.983 21.471 -12.502 1.00 0.52 H new ATOM 0 HG3 PRO A 50 -1.414 19.890 -12.001 1.00 0.52 H new ATOM 0 HD2 PRO A 50 0.044 22.385 -11.880 1.00 0.42 H new ATOM 0 HD3 PRO A 50 0.627 20.799 -11.416 1.00 0.42 H new ATOM 797 N HIS A 51 0.230 23.453 -14.934 1.00 0.47 N ATOM 798 CA HIS A 51 -0.164 24.741 -15.582 1.00 0.52 C ATOM 799 C HIS A 51 1.015 25.714 -15.553 1.00 0.45 C ATOM 800 O HIS A 51 2.072 25.406 -15.035 1.00 0.43 O ATOM 801 CB HIS A 51 -1.358 25.349 -14.832 1.00 0.56 C ATOM 802 CG HIS A 51 -2.409 24.290 -14.612 1.00 0.64 C ATOM 803 ND1 HIS A 51 -3.170 23.776 -15.650 1.00 0.75 N ATOM 804 CD2 HIS A 51 -2.815 23.622 -13.483 1.00 0.64 C ATOM 805 CE1 HIS A 51 -3.985 22.840 -15.129 1.00 0.80 C ATOM 806 NE2 HIS A 51 -3.810 22.707 -13.813 1.00 0.74 N ATOM 0 H HIS A 51 0.891 23.536 -14.162 1.00 0.47 H new ATOM 0 HA HIS A 51 -0.447 24.553 -16.618 1.00 0.52 H new ATOM 0 HB2 HIS A 51 -1.031 25.755 -13.875 1.00 0.56 H new ATOM 0 HB3 HIS A 51 -1.776 26.177 -15.404 1.00 0.56 H new ATOM 0 HD2 HIS A 51 -2.422 23.782 -12.490 1.00 0.64 H new ATOM 0 HE1 HIS A 51 -4.695 22.266 -15.706 1.00 0.80 H new ATOM 0 HE2 HIS A 51 -4.300 22.071 -13.184 1.00 0.74 H new ATOM 814 N LYS A 52 0.841 26.885 -16.113 1.00 0.46 N ATOM 815 CA LYS A 52 1.947 27.886 -16.128 1.00 0.43 C ATOM 816 C LYS A 52 1.666 28.971 -15.088 1.00 0.40 C ATOM 817 O LYS A 52 0.533 29.360 -14.875 1.00 0.56 O ATOM 818 CB LYS A 52 2.039 28.523 -17.516 1.00 0.53 C ATOM 819 CG LYS A 52 3.031 27.736 -18.374 1.00 1.48 C ATOM 820 CD LYS A 52 3.456 28.586 -19.573 1.00 1.86 C ATOM 821 CE LYS A 52 2.256 28.802 -20.497 1.00 2.87 C ATOM 822 NZ LYS A 52 2.731 29.299 -21.820 1.00 3.43 N ATOM 0 H LYS A 52 -0.023 27.190 -16.561 1.00 0.46 H new ATOM 0 HA LYS A 52 2.889 27.391 -15.892 1.00 0.43 H new ATOM 0 HB2 LYS A 52 1.058 28.530 -17.990 1.00 0.53 H new ATOM 0 HB3 LYS A 52 2.359 29.561 -17.431 1.00 0.53 H new ATOM 0 HG2 LYS A 52 3.904 27.463 -17.781 1.00 1.48 H new ATOM 0 HG3 LYS A 52 2.575 26.807 -18.717 1.00 1.48 H new ATOM 0 HD2 LYS A 52 3.844 29.546 -19.232 1.00 1.86 H new ATOM 0 HD3 LYS A 52 4.262 28.091 -20.115 1.00 1.86 H new ATOM 0 HE2 LYS A 52 1.708 27.868 -20.623 1.00 2.87 H new ATOM 0 HE3 LYS A 52 1.566 29.520 -20.053 1.00 2.87 H new ATOM 0 HZ1 LYS A 52 1.916 29.446 -22.449 1.00 3.43 H new ATOM 0 HZ2 LYS A 52 3.236 30.199 -21.692 1.00 3.43 H new ATOM 0 HZ3 LYS A 52 3.373 28.599 -22.244 1.00 3.43 H new ATOM 836 N ILE A 53 2.693 29.462 -14.441 1.00 0.44 N ATOM 837 CA ILE A 53 2.496 30.525 -13.412 1.00 0.49 C ATOM 838 C ILE A 53 2.286 31.871 -14.109 1.00 0.47 C ATOM 839 O ILE A 53 3.161 32.368 -14.793 1.00 0.68 O ATOM 840 CB ILE A 53 3.732 30.602 -12.513 1.00 0.60 C ATOM 841 CG1 ILE A 53 4.036 29.214 -11.943 1.00 0.86 C ATOM 842 CG2 ILE A 53 3.466 31.576 -11.365 1.00 1.12 C ATOM 843 CD1 ILE A 53 5.456 29.195 -11.373 1.00 1.10 C ATOM 0 H ILE A 53 3.660 29.171 -14.582 1.00 0.44 H new ATOM 0 HA ILE A 53 1.622 30.288 -12.805 1.00 0.49 H new ATOM 0 HB ILE A 53 4.584 30.950 -13.096 1.00 0.60 H new ATOM 0 HG12 ILE A 53 3.317 28.964 -11.163 1.00 0.86 H new ATOM 0 HG13 ILE A 53 3.936 28.459 -12.723 1.00 0.86 H new ATOM 0 HG21 ILE A 53 4.346 31.632 -10.724 1.00 1.12 H new ATOM 0 HG22 ILE A 53 3.249 32.565 -11.770 1.00 1.12 H new ATOM 0 HG23 ILE A 53 2.614 31.227 -10.782 1.00 1.12 H new ATOM 0 HD11 ILE A 53 5.672 28.207 -10.967 1.00 1.10 H new ATOM 0 HD12 ILE A 53 6.169 29.426 -12.164 1.00 1.10 H new ATOM 0 HD13 ILE A 53 5.540 29.939 -10.581 1.00 1.10 H new ATOM 855 N LYS A 54 1.131 32.461 -13.939 1.00 0.55 N ATOM 856 CA LYS A 54 0.851 33.775 -14.588 1.00 0.67 C ATOM 857 C LYS A 54 1.673 34.869 -13.904 1.00 0.47 C ATOM 858 O LYS A 54 2.532 35.481 -14.511 1.00 0.70 O ATOM 859 CB LYS A 54 -0.639 34.101 -14.459 1.00 1.06 C ATOM 860 CG LYS A 54 -1.442 33.207 -15.405 1.00 1.39 C ATOM 861 CD LYS A 54 -2.705 33.943 -15.854 1.00 2.11 C ATOM 862 CE LYS A 54 -3.238 33.306 -17.139 1.00 2.47 C ATOM 863 NZ LYS A 54 -4.300 34.174 -17.721 1.00 3.12 N ATOM 0 H LYS A 54 0.367 32.087 -13.376 1.00 0.55 H new ATOM 0 HA LYS A 54 1.122 33.723 -15.642 1.00 0.67 H new ATOM 0 HB2 LYS A 54 -0.968 33.948 -13.431 1.00 1.06 H new ATOM 0 HB3 LYS A 54 -0.814 35.150 -14.697 1.00 1.06 H new ATOM 0 HG2 LYS A 54 -0.837 32.940 -16.271 1.00 1.39 H new ATOM 0 HG3 LYS A 54 -1.709 32.277 -14.904 1.00 1.39 H new ATOM 0 HD2 LYS A 54 -3.463 33.897 -15.072 1.00 2.11 H new ATOM 0 HD3 LYS A 54 -2.484 34.997 -16.023 1.00 2.11 H new ATOM 0 HE2 LYS A 54 -2.427 33.175 -17.856 1.00 2.47 H new ATOM 0 HE3 LYS A 54 -3.639 32.315 -16.927 1.00 2.47 H new ATOM 0 HZ1 LYS A 54 -4.662 33.741 -18.594 1.00 3.12 H new ATOM 0 HZ2 LYS A 54 -5.077 34.277 -17.038 1.00 3.12 H new ATOM 0 HZ3 LYS A 54 -3.903 35.110 -17.938 1.00 3.12 H new ATOM 877 N SER A 55 1.414 35.117 -12.645 1.00 0.53 N ATOM 878 CA SER A 55 2.175 36.171 -11.913 1.00 0.51 C ATOM 879 C SER A 55 2.952 35.532 -10.760 1.00 0.45 C ATOM 880 O SER A 55 2.880 34.338 -10.539 1.00 0.40 O ATOM 881 CB SER A 55 1.201 37.209 -11.356 1.00 0.73 C ATOM 882 OG SER A 55 0.532 37.850 -12.435 1.00 1.48 O ATOM 0 H SER A 55 0.706 34.633 -12.092 1.00 0.53 H new ATOM 0 HA SER A 55 2.872 36.656 -12.597 1.00 0.51 H new ATOM 0 HB2 SER A 55 0.477 36.729 -10.697 1.00 0.73 H new ATOM 0 HB3 SER A 55 1.738 37.945 -10.757 1.00 0.73 H new ATOM 0 HG SER A 55 -0.095 38.515 -12.082 1.00 1.48 H new ATOM 888 N GLY A 56 3.694 36.322 -10.025 1.00 0.48 N ATOM 889 CA GLY A 56 4.482 35.772 -8.882 1.00 0.48 C ATOM 890 C GLY A 56 3.533 35.167 -7.844 1.00 0.45 C ATOM 891 O GLY A 56 3.884 34.243 -7.136 1.00 0.44 O ATOM 0 H GLY A 56 3.788 37.327 -10.169 1.00 0.48 H new ATOM 0 HA2 GLY A 56 5.177 35.012 -9.239 1.00 0.48 H new ATOM 0 HA3 GLY A 56 5.079 36.562 -8.426 1.00 0.48 H new ATOM 895 N ALA A 57 2.332 35.683 -7.751 1.00 0.48 N ATOM 896 CA ALA A 57 1.353 35.144 -6.761 1.00 0.52 C ATOM 897 C ALA A 57 1.045 33.682 -7.093 1.00 0.45 C ATOM 898 O ALA A 57 0.931 32.848 -6.213 1.00 0.47 O ATOM 899 CB ALA A 57 0.063 35.963 -6.822 1.00 0.63 C ATOM 0 H ALA A 57 1.988 36.456 -8.320 1.00 0.48 H new ATOM 0 HA ALA A 57 1.777 35.208 -5.759 1.00 0.52 H new ATOM 0 HB1 ALA A 57 -0.652 35.570 -6.099 1.00 0.63 H new ATOM 0 HB2 ALA A 57 0.282 37.004 -6.586 1.00 0.63 H new ATOM 0 HB3 ALA A 57 -0.361 35.899 -7.824 1.00 0.63 H new ATOM 905 N GLU A 58 0.910 33.368 -8.356 1.00 0.42 N ATOM 906 CA GLU A 58 0.611 31.962 -8.757 1.00 0.42 C ATOM 907 C GLU A 58 1.752 31.036 -8.316 1.00 0.34 C ATOM 908 O GLU A 58 1.573 29.837 -8.203 1.00 0.36 O ATOM 909 CB GLU A 58 0.450 31.889 -10.278 1.00 0.47 C ATOM 910 CG GLU A 58 -0.938 32.405 -10.671 1.00 0.77 C ATOM 911 CD GLU A 58 -1.475 31.592 -11.851 1.00 1.18 C ATOM 912 OE1 GLU A 58 -1.213 30.401 -11.894 1.00 1.90 O ATOM 913 OE2 GLU A 58 -2.142 32.174 -12.690 1.00 1.68 O ATOM 0 H GLU A 58 0.994 34.028 -9.129 1.00 0.42 H new ATOM 0 HA GLU A 58 -0.313 31.642 -8.276 1.00 0.42 H new ATOM 0 HB2 GLU A 58 1.222 32.485 -10.765 1.00 0.47 H new ATOM 0 HB3 GLU A 58 0.578 30.862 -10.619 1.00 0.47 H new ATOM 0 HG2 GLU A 58 -1.619 32.327 -9.823 1.00 0.77 H new ATOM 0 HG3 GLU A 58 -0.882 33.460 -10.939 1.00 0.77 H new ATOM 920 N ALA A 59 2.921 31.577 -8.067 1.00 0.31 N ATOM 921 CA ALA A 59 4.068 30.726 -7.633 1.00 0.31 C ATOM 922 C ALA A 59 4.073 30.615 -6.106 1.00 0.32 C ATOM 923 O ALA A 59 4.518 29.628 -5.550 1.00 0.37 O ATOM 924 CB ALA A 59 5.379 31.359 -8.103 1.00 0.35 C ATOM 0 H ALA A 59 3.128 32.573 -8.146 1.00 0.31 H new ATOM 0 HA ALA A 59 3.968 29.732 -8.069 1.00 0.31 H new ATOM 0 HB1 ALA A 59 6.217 30.738 -7.786 1.00 0.35 H new ATOM 0 HB2 ALA A 59 5.376 31.437 -9.190 1.00 0.35 H new ATOM 0 HB3 ALA A 59 5.480 32.353 -7.668 1.00 0.35 H new ATOM 930 N LYS A 60 3.585 31.623 -5.426 1.00 0.32 N ATOM 931 CA LYS A 60 3.561 31.586 -3.934 1.00 0.37 C ATOM 932 C LYS A 60 2.429 30.672 -3.458 1.00 0.32 C ATOM 933 O LYS A 60 2.557 29.979 -2.466 1.00 0.35 O ATOM 934 CB LYS A 60 3.333 33.000 -3.394 1.00 0.48 C ATOM 935 CG LYS A 60 3.586 33.017 -1.885 1.00 1.06 C ATOM 936 CD LYS A 60 2.660 34.040 -1.224 1.00 1.49 C ATOM 937 CE LYS A 60 3.360 34.654 -0.010 1.00 1.92 C ATOM 938 NZ LYS A 60 2.347 34.996 1.028 1.00 2.51 N ATOM 0 H LYS A 60 3.202 32.471 -5.843 1.00 0.32 H new ATOM 0 HA LYS A 60 4.513 31.202 -3.567 1.00 0.37 H new ATOM 0 HB2 LYS A 60 4.000 33.703 -3.893 1.00 0.48 H new ATOM 0 HB3 LYS A 60 2.313 33.322 -3.606 1.00 0.48 H new ATOM 0 HG2 LYS A 60 3.410 32.027 -1.465 1.00 1.06 H new ATOM 0 HG3 LYS A 60 4.627 33.269 -1.683 1.00 1.06 H new ATOM 0 HD2 LYS A 60 2.395 34.820 -1.937 1.00 1.49 H new ATOM 0 HD3 LYS A 60 1.731 33.560 -0.917 1.00 1.49 H new ATOM 0 HE2 LYS A 60 4.089 33.953 0.396 1.00 1.92 H new ATOM 0 HE3 LYS A 60 3.908 35.548 -0.307 1.00 1.92 H new ATOM 0 HZ1 LYS A 60 2.823 35.413 1.853 1.00 2.51 H new ATOM 0 HZ2 LYS A 60 1.667 35.680 0.638 1.00 2.51 H new ATOM 0 HZ3 LYS A 60 1.843 34.134 1.318 1.00 2.51 H new ATOM 952 N LYS A 61 1.323 30.665 -4.159 1.00 0.30 N ATOM 953 CA LYS A 61 0.175 29.798 -3.754 1.00 0.34 C ATOM 954 C LYS A 61 0.603 28.325 -3.771 1.00 0.35 C ATOM 955 O LYS A 61 0.048 27.503 -3.067 1.00 0.41 O ATOM 956 CB LYS A 61 -0.990 30.003 -4.729 1.00 0.42 C ATOM 957 CG LYS A 61 -0.543 29.663 -6.155 1.00 0.42 C ATOM 958 CD LYS A 61 -1.708 29.881 -7.122 1.00 0.46 C ATOM 959 CE LYS A 61 -1.381 29.237 -8.470 1.00 0.86 C ATOM 960 NZ LYS A 61 -2.572 29.322 -9.363 1.00 1.19 N ATOM 0 H LYS A 61 1.166 31.224 -4.997 1.00 0.30 H new ATOM 0 HA LYS A 61 -0.140 30.068 -2.746 1.00 0.34 H new ATOM 0 HB2 LYS A 61 -1.831 29.372 -4.442 1.00 0.42 H new ATOM 0 HB3 LYS A 61 -1.336 31.036 -4.684 1.00 0.42 H new ATOM 0 HG2 LYS A 61 0.303 30.289 -6.441 1.00 0.42 H new ATOM 0 HG3 LYS A 61 -0.205 28.628 -6.204 1.00 0.42 H new ATOM 0 HD2 LYS A 61 -2.620 29.448 -6.712 1.00 0.46 H new ATOM 0 HD3 LYS A 61 -1.892 30.948 -7.252 1.00 0.46 H new ATOM 0 HE2 LYS A 61 -0.531 29.742 -8.930 1.00 0.86 H new ATOM 0 HE3 LYS A 61 -1.094 28.195 -8.327 1.00 0.86 H new ATOM 0 HZ1 LYS A 61 -2.272 29.614 -10.315 1.00 1.19 H new ATOM 0 HZ2 LYS A 61 -3.034 28.392 -9.415 1.00 1.19 H new ATOM 0 HZ3 LYS A 61 -3.242 30.020 -8.982 1.00 1.19 H new ATOM 974 N LEU A 62 1.580 27.991 -4.577 1.00 0.36 N ATOM 975 CA LEU A 62 2.045 26.575 -4.653 1.00 0.47 C ATOM 976 C LEU A 62 2.563 26.126 -3.274 1.00 0.44 C ATOM 977 O LEU A 62 3.110 26.927 -2.541 1.00 0.44 O ATOM 978 CB LEU A 62 3.173 26.464 -5.682 1.00 0.63 C ATOM 979 CG LEU A 62 2.679 26.942 -7.052 1.00 0.67 C ATOM 980 CD1 LEU A 62 3.872 27.108 -7.995 1.00 0.78 C ATOM 981 CD2 LEU A 62 1.705 25.914 -7.638 1.00 0.74 C ATOM 0 H LEU A 62 2.076 28.641 -5.187 1.00 0.36 H new ATOM 0 HA LEU A 62 1.214 25.937 -4.952 1.00 0.47 H new ATOM 0 HB2 LEU A 62 4.027 27.063 -5.364 1.00 0.63 H new ATOM 0 HB3 LEU A 62 3.515 25.431 -5.749 1.00 0.63 H new ATOM 0 HG LEU A 62 2.169 27.898 -6.937 1.00 0.67 H new ATOM 0 HD11 LEU A 62 3.521 27.448 -8.969 1.00 0.78 H new ATOM 0 HD12 LEU A 62 4.563 27.843 -7.582 1.00 0.78 H new ATOM 0 HD13 LEU A 62 4.383 26.152 -8.107 1.00 0.78 H new ATOM 0 HD21 LEU A 62 1.356 26.257 -8.612 1.00 0.74 H new ATOM 0 HD22 LEU A 62 2.212 24.956 -7.751 1.00 0.74 H new ATOM 0 HD23 LEU A 62 0.853 25.797 -6.968 1.00 0.74 H new ATOM 993 N PRO A 63 2.383 24.857 -2.950 1.00 0.45 N ATOM 994 CA PRO A 63 2.832 24.276 -1.644 1.00 0.49 C ATOM 995 C PRO A 63 4.331 23.980 -1.684 1.00 0.60 C ATOM 996 O PRO A 63 4.788 23.139 -2.436 1.00 0.66 O ATOM 997 CB PRO A 63 2.021 22.994 -1.520 1.00 0.50 C ATOM 998 CG PRO A 63 1.628 22.576 -2.924 1.00 0.50 C ATOM 999 CD PRO A 63 1.724 23.813 -3.819 1.00 0.48 C ATOM 0 HA PRO A 63 2.679 24.947 -0.799 1.00 0.49 H new ATOM 0 HB2 PRO A 63 2.607 22.213 -1.036 1.00 0.50 H new ATOM 0 HB3 PRO A 63 1.136 23.156 -0.905 1.00 0.50 H new ATOM 0 HG2 PRO A 63 2.288 21.788 -3.288 1.00 0.50 H new ATOM 0 HG3 PRO A 63 0.615 22.174 -2.934 1.00 0.50 H new ATOM 0 HD2 PRO A 63 2.313 23.611 -4.713 1.00 0.48 H new ATOM 0 HD3 PRO A 63 0.739 24.139 -4.153 1.00 0.48 H new ATOM 1007 N GLY A 64 5.097 24.676 -0.885 1.00 0.65 N ATOM 1008 CA GLY A 64 6.571 24.456 -0.872 1.00 0.78 C ATOM 1009 C GLY A 64 7.285 25.756 -1.254 1.00 0.70 C ATOM 1010 O GLY A 64 8.420 25.980 -0.878 1.00 0.78 O ATOM 0 H GLY A 64 4.762 25.390 -0.238 1.00 0.65 H new ATOM 0 HA2 GLY A 64 6.892 24.130 0.117 1.00 0.78 H new ATOM 0 HA3 GLY A 64 6.837 23.663 -1.571 1.00 0.78 H new ATOM 1014 N VAL A 65 6.627 26.612 -1.999 1.00 0.56 N ATOM 1015 CA VAL A 65 7.267 27.898 -2.408 1.00 0.49 C ATOM 1016 C VAL A 65 6.973 28.969 -1.357 1.00 0.47 C ATOM 1017 O VAL A 65 5.867 29.078 -0.862 1.00 0.46 O ATOM 1018 CB VAL A 65 6.703 28.345 -3.759 1.00 0.44 C ATOM 1019 CG1 VAL A 65 7.489 29.557 -4.263 1.00 0.44 C ATOM 1020 CG2 VAL A 65 6.826 27.202 -4.770 1.00 0.58 C ATOM 0 H VAL A 65 5.676 26.474 -2.340 1.00 0.56 H new ATOM 0 HA VAL A 65 8.344 27.755 -2.494 1.00 0.49 H new ATOM 0 HB VAL A 65 5.653 28.614 -3.642 1.00 0.44 H new ATOM 0 HG11 VAL A 65 7.088 29.876 -5.225 1.00 0.44 H new ATOM 0 HG12 VAL A 65 7.401 30.372 -3.545 1.00 0.44 H new ATOM 0 HG13 VAL A 65 8.539 29.287 -4.379 1.00 0.44 H new ATOM 0 HG21 VAL A 65 6.424 27.522 -5.731 1.00 0.58 H new ATOM 0 HG22 VAL A 65 7.875 26.931 -4.887 1.00 0.58 H new ATOM 0 HG23 VAL A 65 6.266 26.338 -4.412 1.00 0.58 H new ATOM 1030 N GLY A 66 7.958 29.759 -1.014 1.00 0.52 N ATOM 1031 CA GLY A 66 7.749 30.829 0.006 1.00 0.59 C ATOM 1032 C GLY A 66 7.638 32.185 -0.692 1.00 0.45 C ATOM 1033 O GLY A 66 7.093 32.291 -1.775 1.00 0.40 O ATOM 0 H GLY A 66 8.901 29.708 -1.398 1.00 0.52 H new ATOM 0 HA2 GLY A 66 6.844 30.628 0.579 1.00 0.59 H new ATOM 0 HA3 GLY A 66 8.578 30.839 0.713 1.00 0.59 H new ATOM 1037 N THR A 67 8.150 33.221 -0.078 1.00 0.47 N ATOM 1038 CA THR A 67 8.080 34.577 -0.698 1.00 0.44 C ATOM 1039 C THR A 67 9.412 34.899 -1.380 1.00 0.34 C ATOM 1040 O THR A 67 9.459 35.633 -2.349 1.00 0.41 O ATOM 1041 CB THR A 67 7.797 35.619 0.387 1.00 0.60 C ATOM 1042 OG1 THR A 67 8.812 35.555 1.378 1.00 1.50 O ATOM 1043 CG2 THR A 67 6.437 35.336 1.027 1.00 1.55 C ATOM 0 H THR A 67 8.615 33.185 0.829 1.00 0.47 H new ATOM 0 HA THR A 67 7.281 34.596 -1.439 1.00 0.44 H new ATOM 0 HB THR A 67 7.786 36.614 -0.058 1.00 0.60 H new ATOM 0 HG1 THR A 67 8.633 36.223 2.073 1.00 1.50 H new ATOM 0 HG21 THR A 67 6.237 36.079 1.799 1.00 1.55 H new ATOM 0 HG22 THR A 67 5.659 35.386 0.265 1.00 1.55 H new ATOM 0 HG23 THR A 67 6.445 34.342 1.473 1.00 1.55 H new ATOM 1051 N LYS A 68 10.493 34.356 -0.878 1.00 0.31 N ATOM 1052 CA LYS A 68 11.826 34.628 -1.491 1.00 0.32 C ATOM 1053 C LYS A 68 11.880 34.017 -2.893 1.00 0.26 C ATOM 1054 O LYS A 68 11.986 34.720 -3.880 1.00 0.28 O ATOM 1055 CB LYS A 68 12.922 34.006 -0.622 1.00 0.45 C ATOM 1056 CG LYS A 68 14.222 34.795 -0.797 1.00 1.23 C ATOM 1057 CD LYS A 68 15.205 34.411 0.310 1.00 1.62 C ATOM 1058 CE LYS A 68 16.299 35.475 0.413 1.00 2.43 C ATOM 1059 NZ LYS A 68 17.125 35.223 1.628 1.00 2.93 N ATOM 0 H LYS A 68 10.508 33.735 -0.069 1.00 0.31 H new ATOM 0 HA LYS A 68 11.981 35.705 -1.559 1.00 0.32 H new ATOM 0 HB2 LYS A 68 12.618 34.013 0.425 1.00 0.45 H new ATOM 0 HB3 LYS A 68 13.076 32.964 -0.903 1.00 0.45 H new ATOM 0 HG2 LYS A 68 14.658 34.586 -1.774 1.00 1.23 H new ATOM 0 HG3 LYS A 68 14.018 35.865 -0.762 1.00 1.23 H new ATOM 0 HD2 LYS A 68 14.681 34.320 1.261 1.00 1.62 H new ATOM 0 HD3 LYS A 68 15.648 33.438 0.096 1.00 1.62 H new ATOM 0 HE2 LYS A 68 16.927 35.453 -0.478 1.00 2.43 H new ATOM 0 HE3 LYS A 68 15.852 36.468 0.464 1.00 2.43 H new ATOM 0 HZ1 LYS A 68 17.869 35.946 1.698 1.00 2.93 H new ATOM 0 HZ2 LYS A 68 16.521 35.265 2.473 1.00 2.93 H new ATOM 0 HZ3 LYS A 68 17.563 34.282 1.561 1.00 2.93 H new ATOM 1073 N ILE A 69 11.811 32.713 -2.984 1.00 0.25 N ATOM 1074 CA ILE A 69 11.861 32.044 -4.318 1.00 0.22 C ATOM 1075 C ILE A 69 10.668 32.493 -5.167 1.00 0.19 C ATOM 1076 O ILE A 69 10.807 32.780 -6.341 1.00 0.20 O ATOM 1077 CB ILE A 69 11.814 30.527 -4.116 1.00 0.27 C ATOM 1078 CG1 ILE A 69 12.989 30.099 -3.222 1.00 0.34 C ATOM 1079 CG2 ILE A 69 11.903 29.810 -5.470 1.00 0.31 C ATOM 1080 CD1 ILE A 69 14.328 30.435 -3.896 1.00 0.37 C ATOM 0 H ILE A 69 11.722 32.081 -2.188 1.00 0.25 H new ATOM 0 HA ILE A 69 12.782 32.317 -4.833 1.00 0.22 H new ATOM 0 HB ILE A 69 10.872 30.256 -3.638 1.00 0.27 H new ATOM 0 HG12 ILE A 69 12.923 30.604 -2.258 1.00 0.34 H new ATOM 0 HG13 ILE A 69 12.933 29.028 -3.025 1.00 0.34 H new ATOM 0 HG21 ILE A 69 11.869 28.732 -5.314 1.00 0.31 H new ATOM 0 HG22 ILE A 69 11.065 30.113 -6.098 1.00 0.31 H new ATOM 0 HG23 ILE A 69 12.839 30.076 -5.962 1.00 0.31 H new ATOM 0 HD11 ILE A 69 15.149 30.125 -3.249 1.00 0.37 H new ATOM 0 HD12 ILE A 69 14.398 29.909 -4.848 1.00 0.37 H new ATOM 0 HD13 ILE A 69 14.389 31.509 -4.070 1.00 0.37 H new ATOM 1092 N ALA A 70 9.500 32.554 -4.581 1.00 0.19 N ATOM 1093 CA ALA A 70 8.291 32.982 -5.350 1.00 0.22 C ATOM 1094 C ALA A 70 8.502 34.398 -5.896 1.00 0.25 C ATOM 1095 O ALA A 70 8.041 34.732 -6.971 1.00 0.26 O ATOM 1096 CB ALA A 70 7.068 32.966 -4.432 1.00 0.25 C ATOM 0 H ALA A 70 9.330 32.326 -3.601 1.00 0.19 H new ATOM 0 HA ALA A 70 8.131 32.295 -6.181 1.00 0.22 H new ATOM 0 HB1 ALA A 70 6.187 33.278 -4.994 1.00 0.25 H new ATOM 0 HB2 ALA A 70 6.915 31.958 -4.048 1.00 0.25 H new ATOM 0 HB3 ALA A 70 7.229 33.651 -3.599 1.00 0.25 H new ATOM 1102 N GLU A 71 9.200 35.228 -5.161 1.00 0.33 N ATOM 1103 CA GLU A 71 9.453 36.620 -5.624 1.00 0.39 C ATOM 1104 C GLU A 71 10.235 36.589 -6.940 1.00 0.32 C ATOM 1105 O GLU A 71 9.944 37.327 -7.863 1.00 0.30 O ATOM 1106 CB GLU A 71 10.265 37.370 -4.566 1.00 0.51 C ATOM 1107 CG GLU A 71 9.314 38.103 -3.617 1.00 0.89 C ATOM 1108 CD GLU A 71 9.092 39.531 -4.118 1.00 1.46 C ATOM 1109 OE1 GLU A 71 8.936 39.699 -5.317 1.00 2.21 O ATOM 1110 OE2 GLU A 71 9.081 40.432 -3.296 1.00 1.92 O ATOM 0 H GLU A 71 9.606 34.996 -4.255 1.00 0.33 H new ATOM 0 HA GLU A 71 8.501 37.128 -5.780 1.00 0.39 H new ATOM 0 HB2 GLU A 71 10.887 36.671 -4.007 1.00 0.51 H new ATOM 0 HB3 GLU A 71 10.937 38.082 -5.045 1.00 0.51 H new ATOM 0 HG2 GLU A 71 8.362 37.575 -3.559 1.00 0.89 H new ATOM 0 HG3 GLU A 71 9.730 38.120 -2.610 1.00 0.89 H new ATOM 1117 N LYS A 72 11.223 35.734 -7.030 1.00 0.31 N ATOM 1118 CA LYS A 72 12.029 35.640 -8.282 1.00 0.27 C ATOM 1119 C LYS A 72 11.127 35.192 -9.434 1.00 0.21 C ATOM 1120 O LYS A 72 11.336 35.558 -10.575 1.00 0.22 O ATOM 1121 CB LYS A 72 13.155 34.622 -8.089 1.00 0.31 C ATOM 1122 CG LYS A 72 14.411 35.337 -7.587 1.00 0.91 C ATOM 1123 CD LYS A 72 15.581 34.353 -7.553 1.00 1.10 C ATOM 1124 CE LYS A 72 16.899 35.122 -7.660 1.00 1.58 C ATOM 1125 NZ LYS A 72 18.040 34.172 -7.532 1.00 2.05 N ATOM 0 H LYS A 72 11.506 35.095 -6.286 1.00 0.31 H new ATOM 0 HA LYS A 72 12.458 36.615 -8.513 1.00 0.27 H new ATOM 0 HB2 LYS A 72 12.849 33.857 -7.375 1.00 0.31 H new ATOM 0 HB3 LYS A 72 13.365 34.114 -9.030 1.00 0.31 H new ATOM 0 HG2 LYS A 72 14.648 36.178 -8.239 1.00 0.91 H new ATOM 0 HG3 LYS A 72 14.236 35.745 -6.591 1.00 0.91 H new ATOM 0 HD2 LYS A 72 15.558 33.777 -6.628 1.00 1.10 H new ATOM 0 HD3 LYS A 72 15.495 33.641 -8.374 1.00 1.10 H new ATOM 0 HE2 LYS A 72 16.952 35.644 -8.616 1.00 1.58 H new ATOM 0 HE3 LYS A 72 16.954 35.881 -6.879 1.00 1.58 H new ATOM 0 HZ1 LYS A 72 18.903 34.697 -7.283 1.00 2.05 H new ATOM 0 HZ2 LYS A 72 17.831 33.476 -6.788 1.00 2.05 H new ATOM 0 HZ3 LYS A 72 18.184 33.679 -8.436 1.00 2.05 H new ATOM 1139 N ILE A 73 10.123 34.405 -9.138 1.00 0.20 N ATOM 1140 CA ILE A 73 9.196 33.932 -10.207 1.00 0.20 C ATOM 1141 C ILE A 73 8.459 35.136 -10.798 1.00 0.21 C ATOM 1142 O ILE A 73 8.328 35.264 -11.999 1.00 0.21 O ATOM 1143 CB ILE A 73 8.181 32.949 -9.607 1.00 0.28 C ATOM 1144 CG1 ILE A 73 8.921 31.796 -8.906 1.00 0.30 C ATOM 1145 CG2 ILE A 73 7.280 32.389 -10.716 1.00 0.35 C ATOM 1146 CD1 ILE A 73 9.818 31.050 -9.902 1.00 0.37 C ATOM 0 H ILE A 73 9.906 34.070 -8.199 1.00 0.20 H new ATOM 0 HA ILE A 73 9.762 33.429 -10.990 1.00 0.20 H new ATOM 0 HB ILE A 73 7.565 33.475 -8.877 1.00 0.28 H new ATOM 0 HG12 ILE A 73 9.524 32.188 -8.087 1.00 0.30 H new ATOM 0 HG13 ILE A 73 8.200 31.105 -8.469 1.00 0.30 H new ATOM 0 HG21 ILE A 73 6.562 31.692 -10.284 1.00 0.35 H new ATOM 0 HG22 ILE A 73 6.746 33.207 -11.199 1.00 0.35 H new ATOM 0 HG23 ILE A 73 7.891 31.869 -11.454 1.00 0.35 H new ATOM 0 HD11 ILE A 73 10.334 30.238 -9.390 1.00 0.37 H new ATOM 0 HD12 ILE A 73 9.207 30.641 -10.707 1.00 0.37 H new ATOM 0 HD13 ILE A 73 10.552 31.740 -10.319 1.00 0.37 H new ATOM 1158 N ASP A 74 7.984 36.024 -9.958 1.00 0.26 N ATOM 1159 CA ASP A 74 7.255 37.233 -10.455 1.00 0.30 C ATOM 1160 C ASP A 74 8.136 37.998 -11.449 1.00 0.28 C ATOM 1161 O ASP A 74 7.667 38.470 -12.467 1.00 0.31 O ATOM 1162 CB ASP A 74 6.916 38.143 -9.272 1.00 0.36 C ATOM 1163 CG ASP A 74 5.616 38.897 -9.562 1.00 0.73 C ATOM 1164 OD1 ASP A 74 5.391 39.229 -10.715 1.00 1.65 O ATOM 1165 OD2 ASP A 74 4.869 39.131 -8.627 1.00 0.81 O ATOM 0 H ASP A 74 8.071 35.963 -8.944 1.00 0.26 H new ATOM 0 HA ASP A 74 6.337 36.921 -10.954 1.00 0.30 H new ATOM 0 HB2 ASP A 74 6.810 37.551 -8.363 1.00 0.36 H new ATOM 0 HB3 ASP A 74 7.728 38.850 -9.099 1.00 0.36 H new ATOM 1170 N GLU A 75 9.409 38.110 -11.164 1.00 0.26 N ATOM 1171 CA GLU A 75 10.329 38.828 -12.096 1.00 0.28 C ATOM 1172 C GLU A 75 10.375 38.077 -13.430 1.00 0.25 C ATOM 1173 O GLU A 75 10.578 38.661 -14.477 1.00 0.29 O ATOM 1174 CB GLU A 75 11.733 38.882 -11.490 1.00 0.32 C ATOM 1175 CG GLU A 75 11.877 40.149 -10.645 1.00 1.05 C ATOM 1176 CD GLU A 75 13.335 40.313 -10.214 1.00 1.69 C ATOM 1177 OE1 GLU A 75 14.112 40.825 -11.003 1.00 2.47 O ATOM 1178 OE2 GLU A 75 13.651 39.924 -9.101 1.00 2.22 O ATOM 0 H GLU A 75 9.851 37.734 -10.325 1.00 0.26 H new ATOM 0 HA GLU A 75 9.969 39.844 -12.258 1.00 0.28 H new ATOM 0 HB2 GLU A 75 11.909 38.000 -10.874 1.00 0.32 H new ATOM 0 HB3 GLU A 75 12.483 38.873 -12.281 1.00 0.32 H new ATOM 0 HG2 GLU A 75 11.556 41.019 -11.218 1.00 1.05 H new ATOM 0 HG3 GLU A 75 11.232 40.089 -9.768 1.00 1.05 H new ATOM 1185 N PHE A 76 10.181 36.782 -13.393 1.00 0.22 N ATOM 1186 CA PHE A 76 10.202 35.973 -14.645 1.00 0.24 C ATOM 1187 C PHE A 76 8.965 36.300 -15.478 1.00 0.27 C ATOM 1188 O PHE A 76 9.052 36.603 -16.653 1.00 0.33 O ATOM 1189 CB PHE A 76 10.181 34.482 -14.277 1.00 0.26 C ATOM 1190 CG PHE A 76 11.509 33.855 -14.603 1.00 0.28 C ATOM 1191 CD1 PHE A 76 12.669 34.318 -13.978 1.00 1.23 C ATOM 1192 CD2 PHE A 76 11.577 32.813 -15.532 1.00 1.27 C ATOM 1193 CE1 PHE A 76 13.906 33.736 -14.280 1.00 1.23 C ATOM 1194 CE2 PHE A 76 12.812 32.229 -15.837 1.00 1.33 C ATOM 1195 CZ PHE A 76 13.978 32.691 -15.211 1.00 0.47 C ATOM 0 H PHE A 76 10.008 36.249 -12.541 1.00 0.22 H new ATOM 0 HA PHE A 76 11.101 36.202 -15.218 1.00 0.24 H new ATOM 0 HB2 PHE A 76 9.964 34.364 -13.215 1.00 0.26 H new ATOM 0 HB3 PHE A 76 9.386 33.975 -14.823 1.00 0.26 H new ATOM 0 HD1 PHE A 76 12.612 35.125 -13.262 1.00 1.23 H new ATOM 0 HD2 PHE A 76 10.678 32.459 -16.014 1.00 1.27 H new ATOM 0 HE1 PHE A 76 14.804 34.092 -13.796 1.00 1.23 H new ATOM 0 HE2 PHE A 76 12.866 31.423 -16.554 1.00 1.33 H new ATOM 0 HZ PHE A 76 14.932 32.242 -15.446 1.00 0.47 H new ATOM 1205 N LEU A 77 7.816 36.219 -14.871 1.00 0.25 N ATOM 1206 CA LEU A 77 6.551 36.498 -15.601 1.00 0.31 C ATOM 1207 C LEU A 77 6.415 38.002 -15.862 1.00 0.33 C ATOM 1208 O LEU A 77 5.752 38.415 -16.796 1.00 0.39 O ATOM 1209 CB LEU A 77 5.368 36.016 -14.751 1.00 0.34 C ATOM 1210 CG LEU A 77 5.248 34.480 -14.779 1.00 0.35 C ATOM 1211 CD1 LEU A 77 5.161 33.971 -16.221 1.00 0.38 C ATOM 1212 CD2 LEU A 77 6.462 33.853 -14.090 1.00 0.30 C ATOM 0 H LEU A 77 7.698 35.969 -13.889 1.00 0.25 H new ATOM 0 HA LEU A 77 6.561 35.974 -16.557 1.00 0.31 H new ATOM 0 HB2 LEU A 77 5.495 36.354 -13.723 1.00 0.34 H new ATOM 0 HB3 LEU A 77 4.445 36.462 -15.122 1.00 0.34 H new ATOM 0 HG LEU A 77 4.338 34.195 -14.251 1.00 0.35 H new ATOM 0 HD11 LEU A 77 5.077 32.884 -16.219 1.00 0.38 H new ATOM 0 HD12 LEU A 77 4.285 34.402 -16.707 1.00 0.38 H new ATOM 0 HD13 LEU A 77 6.059 34.264 -16.765 1.00 0.38 H new ATOM 0 HD21 LEU A 77 6.372 32.767 -14.112 1.00 0.30 H new ATOM 0 HD22 LEU A 77 7.371 34.153 -14.611 1.00 0.30 H new ATOM 0 HD23 LEU A 77 6.508 34.192 -13.055 1.00 0.30 H new ATOM 1224 N ALA A 78 7.031 38.822 -15.047 1.00 0.31 N ATOM 1225 CA ALA A 78 6.933 40.299 -15.247 1.00 0.35 C ATOM 1226 C ALA A 78 7.532 40.676 -16.608 1.00 0.36 C ATOM 1227 O ALA A 78 6.816 40.892 -17.568 1.00 0.41 O ATOM 1228 CB ALA A 78 7.694 41.017 -14.128 1.00 0.37 C ATOM 0 H ALA A 78 7.598 38.531 -14.251 1.00 0.31 H new ATOM 0 HA ALA A 78 5.886 40.601 -15.222 1.00 0.35 H new ATOM 0 HB1 ALA A 78 7.623 42.095 -14.273 1.00 0.37 H new ATOM 0 HB2 ALA A 78 7.260 40.751 -13.164 1.00 0.37 H new ATOM 0 HB3 ALA A 78 8.741 40.716 -14.149 1.00 0.37 H new ATOM 1234 N THR A 79 8.837 40.755 -16.697 1.00 0.37 N ATOM 1235 CA THR A 79 9.484 41.115 -17.993 1.00 0.44 C ATOM 1236 C THR A 79 10.044 39.853 -18.651 1.00 0.53 C ATOM 1237 O THR A 79 9.740 39.550 -19.789 1.00 0.64 O ATOM 1238 CB THR A 79 10.623 42.105 -17.736 1.00 0.56 C ATOM 1239 OG1 THR A 79 10.186 43.099 -16.820 1.00 1.37 O ATOM 1240 CG2 THR A 79 11.034 42.766 -19.052 1.00 1.30 C ATOM 0 H THR A 79 9.482 40.585 -15.925 1.00 0.37 H new ATOM 0 HA THR A 79 8.747 41.572 -18.653 1.00 0.44 H new ATOM 0 HB THR A 79 11.478 41.575 -17.317 1.00 0.56 H new ATOM 0 HG1 THR A 79 10.915 43.733 -16.653 1.00 1.37 H new ATOM 0 HG21 THR A 79 11.845 43.471 -18.868 1.00 1.30 H new ATOM 0 HG22 THR A 79 11.369 42.002 -19.754 1.00 1.30 H new ATOM 0 HG23 THR A 79 10.181 43.297 -19.474 1.00 1.30 H new ATOM 1248 N GLY A 80 10.860 39.116 -17.940 1.00 0.65 N ATOM 1249 CA GLY A 80 11.446 37.869 -18.515 1.00 0.87 C ATOM 1250 C GLY A 80 12.972 37.977 -18.523 1.00 1.19 C ATOM 1251 O GLY A 80 13.667 37.081 -18.082 1.00 1.78 O ATOM 0 H GLY A 80 11.146 39.326 -16.984 1.00 0.65 H new ATOM 0 HA2 GLY A 80 11.135 37.005 -17.928 1.00 0.87 H new ATOM 0 HA3 GLY A 80 11.077 37.715 -19.529 1.00 0.87 H new ATOM 1255 N LYS A 81 13.495 39.069 -19.021 1.00 1.30 N ATOM 1256 CA LYS A 81 14.976 39.245 -19.063 1.00 1.75 C ATOM 1257 C LYS A 81 15.479 39.661 -17.679 1.00 2.05 C ATOM 1258 O LYS A 81 14.791 40.338 -16.938 1.00 2.40 O ATOM 1259 CB LYS A 81 15.333 40.328 -20.083 1.00 2.25 C ATOM 1260 CG LYS A 81 16.669 39.987 -20.745 1.00 2.85 C ATOM 1261 CD LYS A 81 17.097 41.138 -21.656 1.00 3.42 C ATOM 1262 CE LYS A 81 18.130 40.634 -22.665 1.00 4.16 C ATOM 1263 NZ LYS A 81 19.104 41.722 -22.964 1.00 4.75 N ATOM 0 H LYS A 81 12.957 39.848 -19.401 1.00 1.30 H new ATOM 0 HA LYS A 81 15.446 38.305 -19.353 1.00 1.75 H new ATOM 0 HB2 LYS A 81 14.550 40.404 -20.838 1.00 2.25 H new ATOM 0 HB3 LYS A 81 15.396 41.299 -19.591 1.00 2.25 H new ATOM 0 HG2 LYS A 81 17.429 39.810 -19.984 1.00 2.85 H new ATOM 0 HG3 LYS A 81 16.576 39.067 -21.323 1.00 2.85 H new ATOM 0 HD2 LYS A 81 16.231 41.544 -22.179 1.00 3.42 H new ATOM 0 HD3 LYS A 81 17.519 41.948 -21.062 1.00 3.42 H new ATOM 0 HE2 LYS A 81 18.651 39.765 -22.264 1.00 4.16 H new ATOM 0 HE3 LYS A 81 17.633 40.314 -23.581 1.00 4.16 H new ATOM 0 HZ1 LYS A 81 19.807 41.380 -23.650 1.00 4.75 H new ATOM 0 HZ2 LYS A 81 18.600 42.539 -23.363 1.00 4.75 H new ATOM 0 HZ3 LYS A 81 19.586 42.007 -22.088 1.00 4.75 H new ATOM 1277 N LEU A 82 16.675 39.261 -17.329 1.00 2.55 N ATOM 1278 CA LEU A 82 17.233 39.629 -15.995 1.00 3.17 C ATOM 1279 C LEU A 82 18.603 40.286 -16.178 1.00 3.59 C ATOM 1280 O LEU A 82 19.621 39.620 -16.197 1.00 4.10 O ATOM 1281 CB LEU A 82 17.383 38.368 -15.140 1.00 3.96 C ATOM 1282 CG LEU A 82 16.079 38.105 -14.385 1.00 4.40 C ATOM 1283 CD1 LEU A 82 16.039 36.647 -13.926 1.00 4.94 C ATOM 1284 CD2 LEU A 82 16.003 39.025 -13.165 1.00 5.07 C ATOM 0 H LEU A 82 17.290 38.694 -17.912 1.00 2.55 H new ATOM 0 HA LEU A 82 16.559 40.327 -15.499 1.00 3.17 H new ATOM 0 HB2 LEU A 82 17.628 37.514 -15.772 1.00 3.96 H new ATOM 0 HB3 LEU A 82 18.206 38.489 -14.435 1.00 3.96 H new ATOM 0 HG LEU A 82 15.233 38.301 -15.043 1.00 4.40 H new ATOM 0 HD11 LEU A 82 15.110 36.460 -13.388 1.00 4.94 H new ATOM 0 HD12 LEU A 82 16.094 35.991 -14.794 1.00 4.94 H new ATOM 0 HD13 LEU A 82 16.885 36.449 -13.268 1.00 4.94 H new ATOM 0 HD21 LEU A 82 15.074 38.839 -12.626 1.00 5.07 H new ATOM 0 HD22 LEU A 82 16.850 38.828 -12.508 1.00 5.07 H new ATOM 0 HD23 LEU A 82 16.031 40.065 -13.491 1.00 5.07 H new ATOM 1296 N ARG A 83 18.631 41.587 -16.313 1.00 3.88 N ATOM 1297 CA ARG A 83 19.931 42.299 -16.496 1.00 4.70 C ATOM 1298 C ARG A 83 20.796 42.109 -15.249 1.00 5.23 C ATOM 1299 O ARG A 83 20.403 41.448 -14.306 1.00 5.58 O ATOM 1300 CB ARG A 83 19.669 43.791 -16.713 1.00 5.20 C ATOM 1301 CG ARG A 83 19.107 44.011 -18.119 1.00 5.47 C ATOM 1302 CD ARG A 83 19.499 45.405 -18.613 1.00 6.34 C ATOM 1303 NE ARG A 83 19.694 45.372 -20.095 1.00 6.88 N ATOM 1304 CZ ARG A 83 20.318 46.346 -20.729 1.00 7.43 C ATOM 1305 NH1 ARG A 83 20.796 47.388 -20.088 1.00 7.57 N ATOM 1306 NH2 ARG A 83 20.464 46.273 -22.023 1.00 8.12 N ATOM 0 H ARG A 83 17.807 42.188 -16.304 1.00 3.88 H new ATOM 0 HA ARG A 83 20.450 41.891 -17.364 1.00 4.70 H new ATOM 0 HB2 ARG A 83 18.965 44.160 -15.967 1.00 5.20 H new ATOM 0 HB3 ARG A 83 20.593 44.356 -16.587 1.00 5.20 H new ATOM 0 HG2 ARG A 83 19.492 43.251 -18.799 1.00 5.47 H new ATOM 0 HG3 ARG A 83 18.022 43.909 -18.108 1.00 5.47 H new ATOM 0 HD2 ARG A 83 18.724 46.126 -18.353 1.00 6.34 H new ATOM 0 HD3 ARG A 83 20.416 45.732 -18.122 1.00 6.34 H new ATOM 0 HE ARG A 83 19.337 44.579 -20.628 1.00 6.88 H new ATOM 0 HH11 ARG A 83 20.689 47.458 -19.076 1.00 7.57 H new ATOM 0 HH12 ARG A 83 21.275 48.128 -20.602 1.00 7.57 H new ATOM 0 HH21 ARG A 83 20.098 45.469 -22.533 1.00 8.12 H new ATOM 0 HH22 ARG A 83 20.945 47.020 -22.525 1.00 8.12 H new ATOM 1320 N LYS A 84 21.971 42.685 -15.240 1.00 5.60 N ATOM 1321 CA LYS A 84 22.871 42.545 -14.057 1.00 6.32 C ATOM 1322 C LYS A 84 22.749 43.787 -13.172 1.00 6.88 C ATOM 1323 O LYS A 84 23.710 44.225 -12.569 1.00 7.07 O ATOM 1324 CB LYS A 84 24.318 42.398 -14.533 1.00 6.80 C ATOM 1325 CG LYS A 84 24.626 40.921 -14.786 1.00 6.98 C ATOM 1326 CD LYS A 84 26.139 40.727 -14.907 1.00 7.73 C ATOM 1327 CE LYS A 84 26.497 39.279 -14.567 1.00 8.32 C ATOM 1328 NZ LYS A 84 26.306 39.050 -13.107 1.00 8.84 N ATOM 0 H LYS A 84 22.346 43.248 -16.003 1.00 5.60 H new ATOM 0 HA LYS A 84 22.584 41.663 -13.485 1.00 6.32 H new ATOM 0 HB2 LYS A 84 24.472 42.974 -15.446 1.00 6.80 H new ATOM 0 HB3 LYS A 84 25.001 42.799 -13.784 1.00 6.80 H new ATOM 0 HG2 LYS A 84 24.235 40.312 -13.971 1.00 6.98 H new ATOM 0 HG3 LYS A 84 24.132 40.587 -15.698 1.00 6.98 H new ATOM 0 HD2 LYS A 84 26.467 40.966 -15.919 1.00 7.73 H new ATOM 0 HD3 LYS A 84 26.659 41.409 -14.234 1.00 7.73 H new ATOM 0 HE2 LYS A 84 25.870 38.594 -15.138 1.00 8.32 H new ATOM 0 HE3 LYS A 84 27.530 39.073 -14.846 1.00 8.32 H new ATOM 0 HZ1 LYS A 84 26.940 38.289 -12.789 1.00 8.84 H new ATOM 0 HZ2 LYS A 84 26.526 39.923 -12.587 1.00 8.84 H new ATOM 0 HZ3 LYS A 84 25.319 38.778 -12.925 1.00 8.84 H new ATOM 1342 N LEU A 85 21.572 44.354 -13.093 1.00 7.46 N ATOM 1343 CA LEU A 85 21.376 45.569 -12.249 1.00 8.28 C ATOM 1344 C LEU A 85 21.310 45.162 -10.776 1.00 9.03 C ATOM 1345 O LEU A 85 20.348 44.564 -10.331 1.00 9.41 O ATOM 1346 CB LEU A 85 20.069 46.260 -12.646 1.00 8.75 C ATOM 1347 CG LEU A 85 20.351 47.302 -13.730 1.00 8.65 C ATOM 1348 CD1 LEU A 85 20.339 46.626 -15.102 1.00 9.03 C ATOM 1349 CD2 LEU A 85 19.271 48.385 -13.687 1.00 8.76 C ATOM 0 H LEU A 85 20.737 44.026 -13.578 1.00 7.46 H new ATOM 0 HA LEU A 85 22.210 46.254 -12.399 1.00 8.28 H new ATOM 0 HB2 LEU A 85 19.353 45.524 -13.012 1.00 8.75 H new ATOM 0 HB3 LEU A 85 19.619 46.738 -11.776 1.00 8.75 H new ATOM 0 HG LEU A 85 21.328 47.754 -13.556 1.00 8.65 H new ATOM 0 HD11 LEU A 85 20.540 47.368 -15.875 1.00 9.03 H new ATOM 0 HD12 LEU A 85 21.106 45.853 -15.133 1.00 9.03 H new ATOM 0 HD13 LEU A 85 19.362 46.175 -15.277 1.00 9.03 H new ATOM 0 HD21 LEU A 85 19.470 49.128 -14.459 1.00 8.76 H new ATOM 0 HD22 LEU A 85 18.295 47.933 -13.862 1.00 8.76 H new ATOM 0 HD23 LEU A 85 19.277 48.867 -12.709 1.00 8.76 H new ATOM 1361 N GLU A 86 22.328 45.483 -10.018 1.00 9.46 N ATOM 1362 CA GLU A 86 22.335 45.119 -8.570 1.00 10.36 C ATOM 1363 C GLU A 86 21.906 46.329 -7.738 1.00 11.22 C ATOM 1364 O GLU A 86 22.382 46.536 -6.638 1.00 11.48 O ATOM 1365 CB GLU A 86 23.746 44.691 -8.158 1.00 10.51 C ATOM 1366 CG GLU A 86 24.243 43.585 -9.095 1.00 10.54 C ATOM 1367 CD GLU A 86 25.128 44.194 -10.185 1.00 11.02 C ATOM 1368 OE1 GLU A 86 24.852 45.311 -10.591 1.00 11.31 O ATOM 1369 OE2 GLU A 86 26.067 43.532 -10.596 1.00 11.27 O ATOM 0 H GLU A 86 23.156 45.983 -10.341 1.00 9.46 H new ATOM 0 HA GLU A 86 21.641 44.296 -8.399 1.00 10.36 H new ATOM 0 HB2 GLU A 86 24.422 45.545 -8.197 1.00 10.51 H new ATOM 0 HB3 GLU A 86 23.742 44.334 -7.128 1.00 10.51 H new ATOM 0 HG2 GLU A 86 24.805 42.841 -8.530 1.00 10.54 H new ATOM 0 HG3 GLU A 86 23.396 43.069 -9.547 1.00 10.54 H new ATOM 1376 N LYS A 87 21.009 47.128 -8.258 1.00 11.83 N ATOM 1377 CA LYS A 87 20.541 48.329 -7.505 1.00 12.83 C ATOM 1378 C LYS A 87 19.194 48.789 -8.065 1.00 13.37 C ATOM 1379 O LYS A 87 18.249 48.862 -7.297 1.00 13.48 O ATOM 1380 CB LYS A 87 21.566 49.455 -7.653 1.00 13.37 C ATOM 1381 CG LYS A 87 21.599 50.288 -6.370 1.00 13.73 C ATOM 1382 CD LYS A 87 23.019 50.806 -6.134 1.00 14.36 C ATOM 1383 CE LYS A 87 23.196 52.151 -6.840 1.00 14.95 C ATOM 1384 NZ LYS A 87 23.745 51.926 -8.207 1.00 15.34 N ATOM 0 H LYS A 87 20.580 46.999 -9.174 1.00 11.83 H new ATOM 0 HA LYS A 87 20.429 48.076 -6.451 1.00 12.83 H new ATOM 0 HB2 LYS A 87 22.553 49.038 -7.854 1.00 13.37 H new ATOM 0 HB3 LYS A 87 21.308 50.087 -8.503 1.00 13.37 H new ATOM 0 HG2 LYS A 87 20.904 51.124 -6.449 1.00 13.73 H new ATOM 0 HG3 LYS A 87 21.276 49.683 -5.523 1.00 13.73 H new ATOM 0 HD2 LYS A 87 23.204 50.917 -5.066 1.00 14.36 H new ATOM 0 HD3 LYS A 87 23.747 50.087 -6.510 1.00 14.36 H new ATOM 0 HE2 LYS A 87 22.240 52.670 -6.902 1.00 14.95 H new ATOM 0 HE3 LYS A 87 23.869 52.789 -6.267 1.00 14.95 H new ATOM 0 HZ1 LYS A 87 24.737 52.235 -8.238 1.00 15.34 H new ATOM 0 HZ2 LYS A 87 23.690 50.914 -8.441 1.00 15.34 H new ATOM 0 HZ3 LYS A 87 23.191 52.471 -8.898 1.00 15.34 H new TER 1398 LYS A 87 END