USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 529 hydrogens (0 hets) HEADER DNA-BINDING PROTEIN 20-JUL-98 1JIC TITLE SOLUTION NMR STRUCTURE OF RECOMBINANT SSO7D WITH RNASE TITLE 2 ACTIVITY, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: SSO7D; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; SOURCE 3 ORGANISM_TAXID: 2287; SOURCE 4 CELL_LINE: BL21; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYSE; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PT7-7 KEYWDS THERMOSTABLE RIBONUCLEASE, DNA-BINDING, 3D-STRUCTURE, NMR, KEYWDS 2 SULFOLOBUS SOLFATARICUS, RNASE AND DNA-BINDING PROTEIN EXPDTA SOLUTION NMR AUTHOR R.CONSONNI,L.SANTOMO,L.ZETTA REVDAT 3 24-FEB-09 1JIC 1 VERSN REVDAT 2 01-APR-03 1JIC 1 JRNL REVDAT 1 14-OCT-98 1JIC 0 JRNL AUTH R.CONSONNI,L.SANTOMO,P.FUSI,L.ZETTA JRNL TITL A SINGLE-POINT MUTATION IN THE EXTREME HEAT- AND JRNL TITL 2 PRESSURE-RESISTANT SSO7D PROTEIN FROM SULFOLOBUS JRNL TITL 3 SOLFATARICUS LEADS TO A MAJOR REARRANGEMENT OF THE JRNL TITL 4 HYDROPHOBIC CORE. JRNL REF BIOCHEMISTRY V. 38 12709 1999 JRNL REFN ISSN 0006-2960 JRNL PMID 10504241 JRNL DOI 10.1021/BI9911280 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH P.FUSI,K.GOOSSENS,R.CONSONNI,M.GRISA,P.PURICELLI, REMARK 1 AUTH 2 G.VECCHIO,M.VANONI,L.ZETTA,K.HEREMANS,P.TORTORA REMARK 1 TITL EXTREME HEAT-AND PRESSURE-RESISTANT 7-KDA PROTEIN REMARK 1 TITL 2 P2 FROM THE ARCHAEON SULFOLOBUS SOLFATARICUS IS REMARK 1 TITL 3 DRAMATICALLY DESTABILIZED BY A SINGLE-POINT AMINO REMARK 1 TITL 4 ACID SUBSTITUTION REMARK 1 REF PROTEINS V. 29 381 1997 REMARK 1 REFN ISSN 0887-3585 REMARK 1 REFERENCE 2 REMARK 1 AUTH R.CONSONNI,R.LIMIROLI,H.MOLINARI,P.FUSI,M.GRISA, REMARK 1 AUTH 2 M.VANONI,P.TORTORA REMARK 1 TITL 1H-NMR AND PHOTO-CIDNP SPECTROSCOPIES SHOW A REMARK 1 TITL 2 POSSIBLE ROLE FOR TRP23 AND PHE31 IN NUCLEIC ACID REMARK 1 TITL 3 BINDING BY P2 RIBONUCLEASE FROM THE ARCHAEON REMARK 1 TITL 4 SULFOLOBUS SOLFATARICUS REMARK 1 REF FEBS LETT. V. 372 135 1995 REMARK 1 REFN ISSN 0014-5793 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER 2.9 REMARK 3 AUTHORS : DAUBER-OSGUTHORPE REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1JIC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300 REMARK 210 PH : 4.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : H2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : CLEAN TOCSY, DQF COSY, NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DISCOVER, FELIX REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 35 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY TERM REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE MINIMIZED AVERAGE STRUCTURE WAS DETERMINED USING 15 REMARK 210 SELECTED CONFORMERS 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 10 CD GLU A 10 OE2 0.118 REMARK 500 GLU A 11 CD GLU A 11 OE2 0.118 REMARK 500 GLU A 35 CD GLU A 35 OE2 0.119 REMARK 500 GLU A 47 CD GLU A 47 OE2 0.118 REMARK 500 GLU A 53 CD GLU A 53 OE2 0.119 REMARK 500 GLU A 59 CD GLU A 59 OE2 0.120 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 24 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES REMARK 500 ARG A 42 NE - CZ - NH1 ANGL. DEV. = 3.8 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 TYR A 7 -81.22 -114.03 REMARK 500 LYS A 8 -100.38 -113.05 REMARK 500 GLU A 35 -12.00 -140.21 REMARK 500 LYS A 52 -49.91 -152.28 REMARK 500 LYS A 60 -58.33 -163.60 REMARK 500 GLN A 61 -84.64 -73.78 REMARK 500 REMARK 500 REMARK: NULL DBREF 1JIC A 1 62 UNP P39476 DN72_SULSO 1 62 SEQRES 1 A 62 ALA THR VAL LYS PHE LYS TYR LYS GLY GLU GLU LYS GLN SEQRES 2 A 62 VAL ASP ILE SER LYS ILE LYS LYS VAL TRP ARG VAL GLY SEQRES 3 A 62 LYS MET ILE SER PHE THR TYR ASP GLU GLY GLY GLY LYS SEQRES 4 A 62 THR GLY ARG GLY ALA VAL SER GLU LYS ASP ALA PRO LYS SEQRES 5 A 62 GLU LEU LEU GLN MET LEU GLU LYS GLN LYS HELIX 1 1 ILE A 16 ILE A 19 5 4 HELIX 2 2 GLU A 47 ALA A 50 5 4 HELIX 3 3 LYS A 52 MET A 57 5 6 SHEET 1 A 2 THR A 2 TYR A 7 0 SHEET 2 A 2 GLU A 10 ILE A 16 -1 N VAL A 14 O VAL A 3 SHEET 1 B 3 LYS A 20 VAL A 25 0 SHEET 2 B 3 MET A 28 TYR A 33 -1 O THR A 32 N LYS A 21 SHEET 3 B 3 GLY A 41 GLU A 47 -1 O VAL A 45 N ILE A 29 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 Single : A 1 ALA N :NH3+ 175:sc= 0.255 (180deg=0.247) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0974) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 142:sc= 0.0423 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 0.0471 (180deg=0.0395) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -109:sc= 0.317 USER MOD Single : A 32 THR OG1 : rot 41:sc= 0.213 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 18:sc= 0.495 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -128:sc= 0.0232 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.869 1.002 -11.908 1.00 0.00 N ATOM 2 CA ALA A 1 -0.257 1.809 -11.392 1.00 0.00 C ATOM 3 C ALA A 1 -0.935 1.141 -10.165 1.00 0.00 C ATOM 4 O ALA A 1 -0.789 1.653 -9.053 1.00 0.00 O ATOM 5 CB ALA A 1 -1.218 2.169 -12.544 1.00 0.00 C ATOM 0 H1 ALA A 1 1.240 1.439 -12.776 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.622 0.960 -11.192 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.538 0.039 -12.119 1.00 0.00 H new ATOM 0 HA ALA A 1 0.122 2.754 -11.003 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.045 2.764 -12.156 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.682 2.743 -13.299 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.607 1.255 -12.992 1.00 0.00 H new ATOM 13 N THR A 2 -1.684 0.033 -10.352 1.00 0.00 N ATOM 14 CA THR A 2 -2.577 -0.532 -9.297 1.00 0.00 C ATOM 15 C THR A 2 -1.920 -1.725 -8.532 1.00 0.00 C ATOM 16 O THR A 2 -1.165 -2.523 -9.096 1.00 0.00 O ATOM 17 CB THR A 2 -3.960 -0.932 -9.888 1.00 0.00 C ATOM 18 OG1 THR A 2 -3.827 -1.932 -10.897 1.00 0.00 O ATOM 19 CG2 THR A 2 -4.799 0.230 -10.451 1.00 0.00 C ATOM 0 H THR A 2 -1.693 -0.495 -11.224 1.00 0.00 H new ATOM 0 HA THR A 2 -2.737 0.258 -8.563 1.00 0.00 H new ATOM 0 HB THR A 2 -4.504 -1.319 -9.026 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.713 -2.163 -11.247 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.742 -0.156 -10.838 1.00 0.00 H new ATOM 0 HG22 THR A 2 -5.000 0.951 -9.659 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.250 0.719 -11.256 1.00 0.00 H new ATOM 27 N VAL A 3 -2.263 -1.831 -7.234 1.00 0.00 N ATOM 28 CA VAL A 3 -1.738 -2.867 -6.301 1.00 0.00 C ATOM 29 C VAL A 3 -2.898 -3.880 -6.045 1.00 0.00 C ATOM 30 O VAL A 3 -3.930 -3.528 -5.465 1.00 0.00 O ATOM 31 CB VAL A 3 -1.210 -2.199 -4.979 1.00 0.00 C ATOM 32 CG1 VAL A 3 -0.794 -3.215 -3.885 1.00 0.00 C ATOM 33 CG2 VAL A 3 -0.014 -1.242 -5.212 1.00 0.00 C ATOM 0 H VAL A 3 -2.923 -1.193 -6.789 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.885 -3.396 -6.726 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.073 -1.632 -4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.441 -2.678 -3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.652 -3.830 -3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.004 -3.852 -4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.301 -0.815 -4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.815 -1.796 -5.653 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.315 -0.441 -5.887 1.00 0.00 H new ATOM 43 N LYS A 4 -2.682 -5.149 -6.433 1.00 0.00 N ATOM 44 CA LYS A 4 -3.644 -6.257 -6.181 1.00 0.00 C ATOM 45 C LYS A 4 -3.277 -6.966 -4.840 1.00 0.00 C ATOM 46 O LYS A 4 -2.303 -7.724 -4.784 1.00 0.00 O ATOM 47 CB LYS A 4 -3.613 -7.236 -7.389 1.00 0.00 C ATOM 48 CG LYS A 4 -4.339 -6.748 -8.665 1.00 0.00 C ATOM 49 CD LYS A 4 -4.292 -7.793 -9.798 1.00 0.00 C ATOM 50 CE LYS A 4 -5.060 -7.354 -11.058 1.00 0.00 C ATOM 51 NZ LYS A 4 -4.982 -8.371 -12.122 1.00 0.00 N ATOM 0 H LYS A 4 -1.841 -5.444 -6.929 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.660 -5.874 -6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.572 -7.441 -7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.058 -8.181 -7.079 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.378 -6.521 -8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.881 -5.821 -9.009 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.252 -7.986 -10.063 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.709 -8.733 -9.435 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.104 -7.172 -10.804 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.652 -6.412 -11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.510 -8.043 -12.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.987 -8.526 -12.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.394 -9.263 -11.781 1.00 0.00 H new ATOM 65 N PHE A 5 -4.057 -6.700 -3.768 1.00 0.00 N ATOM 66 CA PHE A 5 -3.797 -7.244 -2.401 1.00 0.00 C ATOM 67 C PHE A 5 -4.914 -8.244 -1.976 1.00 0.00 C ATOM 68 O PHE A 5 -6.104 -7.921 -2.049 1.00 0.00 O ATOM 69 CB PHE A 5 -3.571 -6.098 -1.364 1.00 0.00 C ATOM 70 CG PHE A 5 -4.788 -5.294 -0.848 1.00 0.00 C ATOM 71 CD1 PHE A 5 -5.240 -4.160 -1.530 1.00 0.00 C ATOM 72 CD2 PHE A 5 -5.451 -5.699 0.319 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.339 -3.445 -1.054 1.00 0.00 C ATOM 74 CE2 PHE A 5 -6.552 -4.986 0.788 1.00 0.00 C ATOM 75 CZ PHE A 5 -6.992 -3.857 0.104 1.00 0.00 C ATOM 0 H PHE A 5 -4.884 -6.105 -3.818 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.867 -7.812 -2.428 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.075 -6.534 -0.497 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.873 -5.388 -1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.736 -3.836 -2.429 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.106 -6.569 0.858 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.684 -2.570 -1.585 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.064 -5.309 1.682 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.841 -3.300 0.472 1.00 0.00 H new ATOM 85 N LYS A 6 -4.527 -9.435 -1.483 1.00 0.00 N ATOM 86 CA LYS A 6 -5.489 -10.476 -1.019 1.00 0.00 C ATOM 87 C LYS A 6 -6.153 -10.138 0.354 1.00 0.00 C ATOM 88 O LYS A 6 -5.507 -9.610 1.266 1.00 0.00 O ATOM 89 CB LYS A 6 -4.869 -11.903 -1.051 1.00 0.00 C ATOM 90 CG LYS A 6 -3.546 -12.176 -0.290 1.00 0.00 C ATOM 91 CD LYS A 6 -2.278 -11.993 -1.152 1.00 0.00 C ATOM 92 CE LYS A 6 -0.993 -12.449 -0.438 1.00 0.00 C ATOM 93 NZ LYS A 6 0.160 -12.430 -1.355 1.00 0.00 N ATOM 0 H LYS A 6 -3.549 -9.710 -1.392 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.305 -10.473 -1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.618 -12.594 -0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.705 -12.165 -2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.488 -11.508 0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.565 -13.194 0.098 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.391 -12.556 -2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.181 -10.943 -1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.795 -11.797 0.413 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.131 -13.456 -0.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.033 -12.610 -0.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.040 -13.167 -2.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.222 -11.500 -1.816 1.00 0.00 H new ATOM 107 N TYR A 7 -7.461 -10.445 0.455 1.00 0.00 N ATOM 108 CA TYR A 7 -8.322 -10.058 1.606 1.00 0.00 C ATOM 109 C TYR A 7 -8.761 -11.354 2.357 1.00 0.00 C ATOM 110 O TYR A 7 -8.111 -11.707 3.346 1.00 0.00 O ATOM 111 CB TYR A 7 -9.441 -9.116 1.063 1.00 0.00 C ATOM 112 CG TYR A 7 -10.306 -8.411 2.119 1.00 0.00 C ATOM 113 CD1 TYR A 7 -9.784 -7.344 2.859 1.00 0.00 C ATOM 114 CD2 TYR A 7 -11.639 -8.791 2.308 1.00 0.00 C ATOM 115 CE1 TYR A 7 -10.584 -6.672 3.780 1.00 0.00 C ATOM 116 CE2 TYR A 7 -12.438 -8.115 3.227 1.00 0.00 C ATOM 117 CZ TYR A 7 -11.910 -7.056 3.963 1.00 0.00 C ATOM 118 OH TYR A 7 -12.700 -6.386 4.861 1.00 0.00 O ATOM 0 H TYR A 7 -7.960 -10.972 -0.262 1.00 0.00 H new ATOM 0 HA TYR A 7 -7.817 -9.473 2.375 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.974 -8.354 0.438 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.097 -9.700 0.417 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.757 -7.041 2.715 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -12.050 -9.612 1.739 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.176 -5.852 4.353 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -13.467 -8.412 3.369 1.00 0.00 H new ATOM 0 HH TYR A 7 -13.597 -6.780 4.865 1.00 0.00 H new ATOM 128 N LYS A 8 -9.797 -12.080 1.880 1.00 0.00 N ATOM 129 CA LYS A 8 -10.039 -13.502 2.262 1.00 0.00 C ATOM 130 C LYS A 8 -9.802 -14.334 0.964 1.00 0.00 C ATOM 131 O LYS A 8 -8.637 -14.544 0.607 1.00 0.00 O ATOM 132 CB LYS A 8 -11.410 -13.705 2.976 1.00 0.00 C ATOM 133 CG LYS A 8 -11.491 -13.218 4.439 1.00 0.00 C ATOM 134 CD LYS A 8 -12.806 -13.655 5.120 1.00 0.00 C ATOM 135 CE LYS A 8 -12.881 -13.268 6.608 1.00 0.00 C ATOM 136 NZ LYS A 8 -14.124 -13.765 7.226 1.00 0.00 N ATOM 0 H LYS A 8 -10.486 -11.708 1.226 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.350 -13.855 3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -12.177 -13.189 2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.655 -14.767 2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.643 -13.612 5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.413 -12.131 4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.647 -13.205 4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.913 -14.736 5.027 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.020 -13.677 7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.831 -12.184 6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.147 -13.490 8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.944 -13.355 6.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.159 -14.802 7.151 1.00 0.00 H new ATOM 150 N GLY A 9 -10.859 -14.753 0.236 1.00 0.00 N ATOM 151 CA GLY A 9 -10.730 -15.210 -1.171 1.00 0.00 C ATOM 152 C GLY A 9 -11.196 -14.156 -2.204 1.00 0.00 C ATOM 153 O GLY A 9 -12.045 -14.461 -3.045 1.00 0.00 O ATOM 0 H GLY A 9 -11.813 -14.786 0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.689 -15.466 -1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.313 -16.121 -1.304 1.00 0.00 H new ATOM 157 N GLU A 10 -10.639 -12.930 -2.129 1.00 0.00 N ATOM 158 CA GLU A 10 -11.055 -11.774 -2.965 1.00 0.00 C ATOM 159 C GLU A 10 -9.820 -10.839 -3.054 1.00 0.00 C ATOM 160 O GLU A 10 -9.395 -10.269 -2.043 1.00 0.00 O ATOM 161 CB GLU A 10 -12.256 -10.982 -2.365 1.00 0.00 C ATOM 162 CG GLU A 10 -13.630 -11.687 -2.409 1.00 0.00 C ATOM 163 CD GLU A 10 -14.804 -10.861 -1.865 1.00 0.00 C ATOM 164 OE1 GLU A 10 -14.745 -9.664 -1.582 1.00 0.00 O ATOM 165 OE2 GLU A 10 -15.936 -11.622 -1.734 1.00 0.00 O ATOM 0 H GLU A 10 -9.882 -12.708 -1.483 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.389 -12.137 -3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.026 -10.746 -1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.341 -10.034 -2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.847 -11.962 -3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.564 -12.614 -1.840 1.00 0.00 H new ATOM 173 N GLU A 11 -9.251 -10.674 -4.263 1.00 0.00 N ATOM 174 CA GLU A 11 -8.026 -9.855 -4.465 1.00 0.00 C ATOM 175 C GLU A 11 -8.423 -8.435 -4.967 1.00 0.00 C ATOM 176 O GLU A 11 -8.970 -8.269 -6.062 1.00 0.00 O ATOM 177 CB GLU A 11 -7.037 -10.628 -5.374 1.00 0.00 C ATOM 178 CG GLU A 11 -5.611 -10.045 -5.352 1.00 0.00 C ATOM 179 CD GLU A 11 -4.567 -10.943 -6.019 1.00 0.00 C ATOM 180 OE1 GLU A 11 -3.828 -11.698 -5.388 1.00 0.00 O ATOM 181 OE2 GLU A 11 -4.551 -10.804 -7.382 1.00 0.00 O ATOM 0 H GLU A 11 -9.615 -11.094 -5.118 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.493 -9.688 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.001 -11.670 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.411 -10.618 -6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.617 -9.077 -5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.317 -9.868 -4.318 1.00 0.00 H new ATOM 189 N LYS A 12 -8.161 -7.428 -4.114 1.00 0.00 N ATOM 190 CA LYS A 12 -8.709 -6.053 -4.254 1.00 0.00 C ATOM 191 C LYS A 12 -7.678 -5.107 -4.930 1.00 0.00 C ATOM 192 O LYS A 12 -6.535 -4.980 -4.479 1.00 0.00 O ATOM 193 CB LYS A 12 -9.088 -5.503 -2.848 1.00 0.00 C ATOM 194 CG LYS A 12 -10.216 -6.228 -2.074 1.00 0.00 C ATOM 195 CD LYS A 12 -11.610 -6.121 -2.724 1.00 0.00 C ATOM 196 CE LYS A 12 -12.713 -6.779 -1.878 1.00 0.00 C ATOM 197 NZ LYS A 12 -14.027 -6.656 -2.532 1.00 0.00 N ATOM 0 H LYS A 12 -7.558 -7.540 -3.299 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.596 -6.095 -4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.191 -5.519 -2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.377 -4.458 -2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.954 -7.282 -1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.267 -5.819 -1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.855 -5.070 -2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.584 -6.590 -3.708 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.478 -7.832 -1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.748 -6.312 -0.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.572 -7.530 -2.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.544 -5.852 -2.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.894 -6.499 -3.552 1.00 0.00 H new ATOM 211 N GLN A 13 -8.119 -4.422 -6.000 1.00 0.00 N ATOM 212 CA GLN A 13 -7.254 -3.537 -6.824 1.00 0.00 C ATOM 213 C GLN A 13 -7.362 -2.062 -6.323 1.00 0.00 C ATOM 214 O GLN A 13 -8.439 -1.460 -6.387 1.00 0.00 O ATOM 215 CB GLN A 13 -7.686 -3.744 -8.303 1.00 0.00 C ATOM 216 CG GLN A 13 -6.758 -3.085 -9.343 1.00 0.00 C ATOM 217 CD GLN A 13 -7.093 -3.459 -10.796 1.00 0.00 C ATOM 218 OE1 GLN A 13 -6.659 -4.492 -11.303 1.00 0.00 O ATOM 219 NE2 GLN A 13 -7.857 -2.637 -11.499 1.00 0.00 N ATOM 0 H GLN A 13 -9.085 -4.462 -6.324 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.196 -3.783 -6.737 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.736 -4.814 -8.507 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.693 -3.348 -8.432 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.816 -2.002 -9.234 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.728 -3.372 -9.132 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.214 -1.782 -11.072 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.089 -2.859 -12.467 1.00 0.00 H new ATOM 228 N VAL A 14 -6.241 -1.507 -5.816 1.00 0.00 N ATOM 229 CA VAL A 14 -6.193 -0.154 -5.177 1.00 0.00 C ATOM 230 C VAL A 14 -5.079 0.712 -5.848 1.00 0.00 C ATOM 231 O VAL A 14 -3.954 0.250 -6.053 1.00 0.00 O ATOM 232 CB VAL A 14 -6.056 -0.286 -3.617 1.00 0.00 C ATOM 233 CG1 VAL A 14 -4.693 -0.807 -3.098 1.00 0.00 C ATOM 234 CG2 VAL A 14 -6.415 1.019 -2.875 1.00 0.00 C ATOM 0 H VAL A 14 -5.336 -1.977 -5.833 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.131 0.375 -5.344 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.788 -1.060 -3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.713 -0.857 -2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.505 -1.801 -3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.900 -0.130 -3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.303 0.870 -1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.750 1.818 -3.202 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.447 1.292 -3.097 1.00 0.00 H new ATOM 244 N ASP A 15 -5.388 1.986 -6.153 1.00 0.00 N ATOM 245 CA ASP A 15 -4.472 2.886 -6.916 1.00 0.00 C ATOM 246 C ASP A 15 -3.312 3.454 -6.043 1.00 0.00 C ATOM 247 O ASP A 15 -3.488 3.749 -4.856 1.00 0.00 O ATOM 248 CB ASP A 15 -5.270 4.062 -7.548 1.00 0.00 C ATOM 249 CG ASP A 15 -6.301 3.665 -8.617 1.00 0.00 C ATOM 250 OD1 ASP A 15 -7.441 3.302 -8.252 1.00 0.00 O ATOM 251 OD2 ASP A 15 -5.972 3.711 -9.823 1.00 0.00 O ATOM 0 H ASP A 15 -6.268 2.427 -5.885 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.022 2.276 -7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.787 4.597 -6.751 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.562 4.761 -7.993 1.00 0.00 H new ATOM 256 N ILE A 16 -2.139 3.647 -6.680 1.00 0.00 N ATOM 257 CA ILE A 16 -0.940 4.286 -6.046 1.00 0.00 C ATOM 258 C ILE A 16 -1.128 5.777 -5.593 1.00 0.00 C ATOM 259 O ILE A 16 -0.677 6.126 -4.498 1.00 0.00 O ATOM 260 CB ILE A 16 0.346 4.019 -6.910 1.00 0.00 C ATOM 261 CG1 ILE A 16 1.662 4.292 -6.122 1.00 0.00 C ATOM 262 CG2 ILE A 16 0.348 4.737 -8.288 1.00 0.00 C ATOM 263 CD1 ILE A 16 2.933 3.662 -6.716 1.00 0.00 C ATOM 0 H ILE A 16 -1.984 3.368 -7.649 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.798 3.789 -5.086 1.00 0.00 H new ATOM 0 HB ILE A 16 0.309 2.953 -7.133 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.809 5.370 -6.057 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.538 3.925 -5.103 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.269 4.500 -8.820 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.507 4.400 -8.875 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.283 5.815 -8.137 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.790 3.914 -6.091 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.818 2.579 -6.755 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.093 4.047 -7.723 1.00 0.00 H new ATOM 275 N SER A 17 -1.805 6.627 -6.396 1.00 0.00 N ATOM 276 CA SER A 17 -2.222 7.999 -5.979 1.00 0.00 C ATOM 277 C SER A 17 -3.146 8.112 -4.721 1.00 0.00 C ATOM 278 O SER A 17 -3.003 9.067 -3.952 1.00 0.00 O ATOM 279 CB SER A 17 -2.848 8.729 -7.192 1.00 0.00 C ATOM 280 OG SER A 17 -4.058 8.113 -7.630 1.00 0.00 O ATOM 0 H SER A 17 -2.080 6.390 -7.349 1.00 0.00 H new ATOM 0 HA SER A 17 -1.303 8.481 -5.646 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.047 9.767 -6.925 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.132 8.743 -8.014 1.00 0.00 H new ATOM 0 HG SER A 17 -4.418 8.608 -8.395 1.00 0.00 H new ATOM 286 N LYS A 18 -4.061 7.145 -4.508 1.00 0.00 N ATOM 287 CA LYS A 18 -4.950 7.093 -3.309 1.00 0.00 C ATOM 288 C LYS A 18 -4.296 6.615 -1.967 1.00 0.00 C ATOM 289 O LYS A 18 -4.974 6.686 -0.939 1.00 0.00 O ATOM 290 CB LYS A 18 -6.187 6.215 -3.663 1.00 0.00 C ATOM 291 CG LYS A 18 -7.126 6.827 -4.732 1.00 0.00 C ATOM 292 CD LYS A 18 -8.178 5.845 -5.282 1.00 0.00 C ATOM 293 CE LYS A 18 -8.906 6.421 -6.512 1.00 0.00 C ATOM 294 NZ LYS A 18 -9.748 5.411 -7.176 1.00 0.00 N ATOM 0 H LYS A 18 -4.212 6.373 -5.158 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.221 8.127 -3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.838 5.245 -4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.761 6.035 -2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.638 7.687 -4.301 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.523 7.198 -5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.694 4.906 -5.552 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.905 5.616 -4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.525 7.264 -6.205 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.172 6.805 -7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.298 5.862 -7.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.144 4.667 -7.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.398 4.990 -6.482 1.00 0.00 H new ATOM 308 N ILE A 19 -3.014 6.177 -1.935 1.00 0.00 N ATOM 309 CA ILE A 19 -2.322 5.725 -0.691 1.00 0.00 C ATOM 310 C ILE A 19 -1.823 7.007 0.052 1.00 0.00 C ATOM 311 O ILE A 19 -0.881 7.675 -0.387 1.00 0.00 O ATOM 312 CB ILE A 19 -1.197 4.670 -1.002 1.00 0.00 C ATOM 313 CG1 ILE A 19 -1.744 3.389 -1.709 1.00 0.00 C ATOM 314 CG2 ILE A 19 -0.429 4.259 0.282 1.00 0.00 C ATOM 315 CD1 ILE A 19 -0.692 2.447 -2.316 1.00 0.00 C ATOM 0 H ILE A 19 -2.426 6.125 -2.767 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.001 5.187 -0.030 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.513 5.167 -1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.333 2.824 -0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.424 3.699 -2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.340 3.529 0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.038 5.139 0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.124 3.819 0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.190 1.595 -2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.115 2.983 -3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.023 2.094 -1.531 1.00 0.00 H new ATOM 327 N LYS A 20 -2.492 7.328 1.174 1.00 0.00 N ATOM 328 CA LYS A 20 -2.268 8.583 1.944 1.00 0.00 C ATOM 329 C LYS A 20 -0.997 8.554 2.855 1.00 0.00 C ATOM 330 O LYS A 20 -0.207 9.500 2.790 1.00 0.00 O ATOM 331 CB LYS A 20 -3.583 8.948 2.699 1.00 0.00 C ATOM 332 CG LYS A 20 -3.824 10.463 2.890 1.00 0.00 C ATOM 333 CD LYS A 20 -5.205 10.782 3.504 1.00 0.00 C ATOM 334 CE LYS A 20 -5.620 12.256 3.334 1.00 0.00 C ATOM 335 NZ LYS A 20 -6.978 12.502 3.855 1.00 0.00 N ATOM 0 H LYS A 20 -3.208 6.727 1.581 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.037 9.384 1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.427 8.526 2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.567 8.471 3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.044 10.871 3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.737 10.964 1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.957 10.144 3.041 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.189 10.536 4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.908 12.897 3.854 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.580 12.526 2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.224 13.504 3.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.660 11.908 3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.009 12.268 4.868 1.00 0.00 H new ATOM 349 N LYS A 21 -0.787 7.494 3.671 1.00 0.00 N ATOM 350 CA LYS A 21 0.489 7.268 4.409 1.00 0.00 C ATOM 351 C LYS A 21 0.884 5.767 4.295 1.00 0.00 C ATOM 352 O LYS A 21 0.088 4.882 4.618 1.00 0.00 O ATOM 353 CB LYS A 21 0.401 7.682 5.906 1.00 0.00 C ATOM 354 CG LYS A 21 0.443 9.205 6.160 1.00 0.00 C ATOM 355 CD LYS A 21 0.609 9.565 7.650 1.00 0.00 C ATOM 356 CE LYS A 21 0.775 11.079 7.881 1.00 0.00 C ATOM 357 NZ LYS A 21 1.010 11.388 9.302 1.00 0.00 N ATOM 0 H LYS A 21 -1.489 6.773 3.839 1.00 0.00 H new ATOM 0 HA LYS A 21 1.251 7.901 3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.523 7.283 6.325 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.224 7.215 6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.267 9.639 5.593 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.475 9.656 5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.260 9.210 8.204 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.478 9.043 8.051 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.609 11.449 7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.119 11.600 7.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.117 12.416 9.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.203 11.056 9.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.876 10.910 9.622 1.00 0.00 H new ATOM 371 N VAL A 22 2.136 5.506 3.874 1.00 0.00 N ATOM 372 CA VAL A 22 2.733 4.137 3.796 1.00 0.00 C ATOM 373 C VAL A 22 3.994 4.083 4.715 1.00 0.00 C ATOM 374 O VAL A 22 4.824 5.001 4.715 1.00 0.00 O ATOM 375 CB VAL A 22 2.997 3.716 2.307 1.00 0.00 C ATOM 376 CG1 VAL A 22 3.960 4.629 1.509 1.00 0.00 C ATOM 377 CG2 VAL A 22 3.462 2.248 2.162 1.00 0.00 C ATOM 0 H VAL A 22 2.777 6.240 3.573 1.00 0.00 H new ATOM 0 HA VAL A 22 2.031 3.392 4.170 1.00 0.00 H new ATOM 0 HB VAL A 22 2.009 3.836 1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.069 4.244 0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.555 5.640 1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.934 4.646 1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.627 2.021 1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.391 2.104 2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.696 1.583 2.561 1.00 0.00 H new ATOM 387 N TRP A 23 4.129 2.984 5.483 1.00 0.00 N ATOM 388 CA TRP A 23 5.241 2.799 6.454 1.00 0.00 C ATOM 389 C TRP A 23 5.673 1.305 6.504 1.00 0.00 C ATOM 390 O TRP A 23 4.839 0.406 6.659 1.00 0.00 O ATOM 391 CB TRP A 23 4.900 3.388 7.857 1.00 0.00 C ATOM 392 CG TRP A 23 3.787 2.723 8.687 1.00 0.00 C ATOM 393 CD1 TRP A 23 3.995 1.768 9.706 1.00 0.00 C ATOM 394 CD2 TRP A 23 2.416 2.930 8.646 1.00 0.00 C ATOM 395 NE1 TRP A 23 2.788 1.374 10.309 1.00 0.00 N ATOM 396 CE2 TRP A 23 1.822 2.104 9.634 1.00 0.00 C ATOM 397 CE3 TRP A 23 1.607 3.763 7.827 1.00 0.00 C ATOM 398 CZ2 TRP A 23 0.418 2.098 9.805 1.00 0.00 C ATOM 399 CZ3 TRP A 23 0.223 3.733 8.009 1.00 0.00 C ATOM 400 CH2 TRP A 23 -0.361 2.912 8.983 1.00 0.00 C ATOM 0 H TRP A 23 3.477 2.200 5.453 1.00 0.00 H new ATOM 0 HA TRP A 23 6.101 3.371 6.105 1.00 0.00 H new ATOM 0 HB2 TRP A 23 5.812 3.371 8.453 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.629 4.435 7.719 1.00 0.00 H new ATOM 0 HD1 TRP A 23 4.965 1.386 9.988 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.654 0.706 11.068 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.052 4.404 7.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -0.042 1.475 10.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.408 4.353 7.389 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.435 2.910 9.099 1.00 0.00 H new ATOM 411 N ARG A 24 6.996 1.068 6.419 1.00 0.00 N ATOM 412 CA ARG A 24 7.599 -0.285 6.560 1.00 0.00 C ATOM 413 C ARG A 24 7.886 -0.595 8.059 1.00 0.00 C ATOM 414 O ARG A 24 8.864 -0.102 8.633 1.00 0.00 O ATOM 415 CB ARG A 24 8.849 -0.436 5.645 1.00 0.00 C ATOM 416 CG ARG A 24 10.024 0.574 5.817 1.00 0.00 C ATOM 417 CD ARG A 24 11.410 -0.048 6.083 1.00 0.00 C ATOM 418 NE ARG A 24 11.971 -0.740 4.891 1.00 0.00 N ATOM 419 CZ ARG A 24 13.045 -0.330 4.185 1.00 0.00 C ATOM 420 NH1 ARG A 24 13.757 0.760 4.467 1.00 0.00 N ATOM 421 NH2 ARG A 24 13.414 -1.057 3.147 1.00 0.00 N ATOM 0 H ARG A 24 7.682 1.804 6.251 1.00 0.00 H new ATOM 0 HA ARG A 24 6.887 -1.035 6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.250 -1.439 5.794 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.511 -0.378 4.610 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.088 1.185 4.917 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.784 1.245 6.641 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.099 0.734 6.401 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.332 -0.758 6.906 1.00 0.00 H new ATOM 0 HE ARG A 24 11.506 -1.594 4.583 1.00 0.00 H new ATOM 0 HH11 ARG A 24 13.500 1.345 5.262 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.559 1.009 3.888 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.892 -1.898 2.902 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.221 -0.778 2.590 1.00 0.00 H new ATOM 435 N VAL A 25 7.016 -1.407 8.690 1.00 0.00 N ATOM 436 CA VAL A 25 7.148 -1.780 10.132 1.00 0.00 C ATOM 437 C VAL A 25 8.252 -2.857 10.424 1.00 0.00 C ATOM 438 O VAL A 25 9.016 -2.669 11.376 1.00 0.00 O ATOM 439 CB VAL A 25 5.740 -2.034 10.777 1.00 0.00 C ATOM 440 CG1 VAL A 25 4.965 -3.263 10.250 1.00 0.00 C ATOM 441 CG2 VAL A 25 5.792 -2.071 12.322 1.00 0.00 C ATOM 0 H VAL A 25 6.207 -1.824 8.230 1.00 0.00 H new ATOM 0 HA VAL A 25 7.554 -0.918 10.661 1.00 0.00 H new ATOM 0 HB VAL A 25 5.171 -1.164 10.450 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.008 -3.339 10.767 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.792 -3.152 9.180 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.548 -4.166 10.432 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.791 -2.250 12.716 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.457 -2.872 12.645 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.164 -1.117 12.696 1.00 0.00 H new ATOM 451 N GLY A 26 8.350 -3.949 9.638 1.00 0.00 N ATOM 452 CA GLY A 26 9.415 -4.960 9.819 1.00 0.00 C ATOM 453 C GLY A 26 9.236 -6.114 8.822 1.00 0.00 C ATOM 454 O GLY A 26 9.713 -6.031 7.687 1.00 0.00 O ATOM 0 H GLY A 26 7.707 -4.154 8.873 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.392 -4.497 9.677 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.390 -5.345 10.838 1.00 0.00 H new ATOM 458 N LYS A 27 8.515 -7.166 9.246 1.00 0.00 N ATOM 459 CA LYS A 27 8.024 -8.235 8.323 1.00 0.00 C ATOM 460 C LYS A 27 6.847 -7.815 7.371 1.00 0.00 C ATOM 461 O LYS A 27 6.710 -8.424 6.306 1.00 0.00 O ATOM 462 CB LYS A 27 7.644 -9.511 9.129 1.00 0.00 C ATOM 463 CG LYS A 27 8.829 -10.259 9.788 1.00 0.00 C ATOM 464 CD LYS A 27 8.410 -11.584 10.464 1.00 0.00 C ATOM 465 CE LYS A 27 9.571 -12.412 11.052 1.00 0.00 C ATOM 466 NZ LYS A 27 10.135 -11.839 12.290 1.00 0.00 N ATOM 0 H LYS A 27 8.253 -7.310 10.221 1.00 0.00 H new ATOM 0 HA LYS A 27 8.862 -8.440 7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.936 -9.230 9.908 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.127 -10.201 8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.585 -10.468 9.031 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.292 -9.610 10.531 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.703 -11.359 11.263 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.881 -12.196 9.733 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.219 -13.423 11.257 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.362 -12.495 10.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.909 -12.444 12.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.501 -10.885 12.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.393 -11.784 13.017 1.00 0.00 H new ATOM 480 N MET A 28 6.018 -6.811 7.737 1.00 0.00 N ATOM 481 CA MET A 28 4.916 -6.284 6.883 1.00 0.00 C ATOM 482 C MET A 28 5.131 -4.771 6.551 1.00 0.00 C ATOM 483 O MET A 28 5.993 -4.084 7.110 1.00 0.00 O ATOM 484 CB MET A 28 3.552 -6.551 7.587 1.00 0.00 C ATOM 485 CG MET A 28 3.124 -8.028 7.642 1.00 0.00 C ATOM 486 SD MET A 28 1.496 -8.147 8.410 1.00 0.00 S ATOM 487 CE MET A 28 1.250 -9.934 8.388 1.00 0.00 C ATOM 0 H MET A 28 6.091 -6.337 8.637 1.00 0.00 H new ATOM 0 HA MET A 28 4.914 -6.805 5.926 1.00 0.00 H new ATOM 0 HB2 MET A 28 3.605 -6.166 8.605 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.777 -5.983 7.071 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.096 -8.448 6.637 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.851 -8.608 8.211 1.00 0.00 H new ATOM 0 HE1 MET A 28 0.283 -10.174 8.831 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.277 -10.292 7.359 1.00 0.00 H new ATOM 0 HE3 MET A 28 2.041 -10.417 8.961 1.00 0.00 H new ATOM 497 N ILE A 29 4.320 -4.271 5.599 1.00 0.00 N ATOM 498 CA ILE A 29 4.287 -2.839 5.188 1.00 0.00 C ATOM 499 C ILE A 29 2.783 -2.439 5.319 1.00 0.00 C ATOM 500 O ILE A 29 1.967 -2.768 4.451 1.00 0.00 O ATOM 501 CB ILE A 29 4.865 -2.607 3.740 1.00 0.00 C ATOM 502 CG1 ILE A 29 6.330 -3.107 3.535 1.00 0.00 C ATOM 503 CG2 ILE A 29 4.764 -1.118 3.312 1.00 0.00 C ATOM 504 CD1 ILE A 29 6.727 -3.357 2.070 1.00 0.00 C ATOM 0 H ILE A 29 3.658 -4.851 5.083 1.00 0.00 H new ATOM 0 HA ILE A 29 4.928 -2.216 5.812 1.00 0.00 H new ATOM 0 HB ILE A 29 4.232 -3.222 3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 29 7.013 -2.372 3.961 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.465 -4.031 4.096 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.173 -0.999 2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.719 -0.808 3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.329 -0.500 4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.760 -3.701 2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.073 -4.116 1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.629 -2.431 1.503 1.00 0.00 H new ATOM 516 N SER A 30 2.433 -1.716 6.399 1.00 0.00 N ATOM 517 CA SER A 30 1.045 -1.239 6.647 1.00 0.00 C ATOM 518 C SER A 30 0.805 0.167 6.019 1.00 0.00 C ATOM 519 O SER A 30 1.706 1.013 5.987 1.00 0.00 O ATOM 520 CB SER A 30 0.809 -1.258 8.172 1.00 0.00 C ATOM 521 OG SER A 30 -0.524 -0.878 8.495 1.00 0.00 O ATOM 0 H SER A 30 3.095 -1.443 7.125 1.00 0.00 H new ATOM 0 HA SER A 30 0.323 -1.897 6.164 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.009 -2.257 8.560 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.510 -0.581 8.659 1.00 0.00 H new ATOM 0 HG SER A 30 -0.519 0.007 8.916 1.00 0.00 H new ATOM 527 N PHE A 31 -0.424 0.396 5.513 1.00 0.00 N ATOM 528 CA PHE A 31 -0.773 1.625 4.748 1.00 0.00 C ATOM 529 C PHE A 31 -2.255 2.052 4.962 1.00 0.00 C ATOM 530 O PHE A 31 -3.161 1.215 4.952 1.00 0.00 O ATOM 531 CB PHE A 31 -0.410 1.493 3.237 1.00 0.00 C ATOM 532 CG PHE A 31 -1.124 0.428 2.373 1.00 0.00 C ATOM 533 CD1 PHE A 31 -0.637 -0.885 2.326 1.00 0.00 C ATOM 534 CD2 PHE A 31 -2.231 0.774 1.588 1.00 0.00 C ATOM 535 CE1 PHE A 31 -1.253 -1.834 1.514 1.00 0.00 C ATOM 536 CE2 PHE A 31 -2.842 -0.178 0.774 1.00 0.00 C ATOM 537 CZ PHE A 31 -2.356 -1.482 0.741 1.00 0.00 C ATOM 0 H PHE A 31 -1.201 -0.256 5.618 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.159 2.431 5.151 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.587 2.463 2.772 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.661 1.300 3.174 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.220 -1.162 2.922 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.613 1.784 1.614 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.874 -2.845 1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.693 0.096 0.168 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.835 -2.221 0.116 1.00 0.00 H new ATOM 547 N THR A 32 -2.484 3.372 5.093 1.00 0.00 N ATOM 548 CA THR A 32 -3.845 3.979 5.145 1.00 0.00 C ATOM 549 C THR A 32 -4.144 4.653 3.776 1.00 0.00 C ATOM 550 O THR A 32 -3.577 5.702 3.458 1.00 0.00 O ATOM 551 CB THR A 32 -4.001 4.999 6.316 1.00 0.00 C ATOM 552 OG1 THR A 32 -2.974 5.989 6.292 1.00 0.00 O ATOM 553 CG2 THR A 32 -4.031 4.357 7.711 1.00 0.00 C ATOM 0 H THR A 32 -1.733 4.058 5.167 1.00 0.00 H new ATOM 0 HA THR A 32 -4.568 3.187 5.337 1.00 0.00 H new ATOM 0 HB THR A 32 -4.974 5.458 6.144 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.807 6.265 5.367 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.142 5.134 8.467 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.871 3.666 7.775 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.101 3.814 7.882 1.00 0.00 H new ATOM 561 N TYR A 33 -5.051 4.049 2.992 1.00 0.00 N ATOM 562 CA TYR A 33 -5.559 4.618 1.711 1.00 0.00 C ATOM 563 C TYR A 33 -6.933 5.324 1.914 1.00 0.00 C ATOM 564 O TYR A 33 -7.806 4.791 2.604 1.00 0.00 O ATOM 565 CB TYR A 33 -5.620 3.510 0.613 1.00 0.00 C ATOM 566 CG TYR A 33 -6.612 2.338 0.816 1.00 0.00 C ATOM 567 CD1 TYR A 33 -7.931 2.442 0.357 1.00 0.00 C ATOM 568 CD2 TYR A 33 -6.213 1.179 1.492 1.00 0.00 C ATOM 569 CE1 TYR A 33 -8.839 1.411 0.585 1.00 0.00 C ATOM 570 CE2 TYR A 33 -7.119 0.144 1.708 1.00 0.00 C ATOM 571 CZ TYR A 33 -8.432 0.262 1.262 1.00 0.00 C ATOM 572 OH TYR A 33 -9.330 -0.744 1.503 1.00 0.00 O ATOM 0 H TYR A 33 -5.462 3.144 3.222 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.863 5.384 1.368 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.862 3.992 -0.334 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.621 3.087 0.509 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.246 3.327 -0.177 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.197 1.087 1.848 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.858 1.501 0.238 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.802 -0.751 2.222 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.884 -1.472 1.984 1.00 0.00 H new ATOM 582 N ASP A 34 -7.146 6.483 1.261 1.00 0.00 N ATOM 583 CA ASP A 34 -8.472 7.170 1.248 1.00 0.00 C ATOM 584 C ASP A 34 -9.352 6.680 0.054 1.00 0.00 C ATOM 585 O ASP A 34 -8.845 6.258 -0.992 1.00 0.00 O ATOM 586 CB ASP A 34 -8.278 8.714 1.254 1.00 0.00 C ATOM 587 CG ASP A 34 -9.348 9.468 2.064 1.00 0.00 C ATOM 588 OD1 ASP A 34 -10.467 9.684 1.547 1.00 0.00 O ATOM 589 OD2 ASP A 34 -9.074 9.833 3.229 1.00 0.00 O ATOM 0 H ASP A 34 -6.423 6.971 0.733 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.014 6.906 2.156 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.295 8.946 1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.290 9.077 0.226 1.00 0.00 H new ATOM 594 N GLU A 35 -10.684 6.728 0.246 1.00 0.00 N ATOM 595 CA GLU A 35 -11.672 6.093 -0.681 1.00 0.00 C ATOM 596 C GLU A 35 -12.987 6.890 -0.977 1.00 0.00 C ATOM 597 O GLU A 35 -13.690 6.495 -1.914 1.00 0.00 O ATOM 598 CB GLU A 35 -11.961 4.624 -0.245 1.00 0.00 C ATOM 599 CG GLU A 35 -12.486 4.415 1.195 1.00 0.00 C ATOM 600 CD GLU A 35 -12.798 2.957 1.528 1.00 0.00 C ATOM 601 OE1 GLU A 35 -11.960 2.169 1.966 1.00 0.00 O ATOM 602 OE2 GLU A 35 -14.112 2.642 1.294 1.00 0.00 O ATOM 0 H GLU A 35 -11.115 7.202 1.040 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.174 6.105 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.689 4.201 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.042 4.049 -0.359 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.744 4.789 1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.388 5.011 1.334 1.00 0.00 H new ATOM 610 N GLY A 36 -13.339 7.975 -0.251 1.00 0.00 N ATOM 611 CA GLY A 36 -14.549 8.769 -0.568 1.00 0.00 C ATOM 612 C GLY A 36 -14.603 10.099 0.201 1.00 0.00 C ATOM 613 O GLY A 36 -13.716 10.944 0.033 1.00 0.00 O ATOM 0 H GLY A 36 -12.809 8.319 0.550 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -14.576 8.972 -1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -15.436 8.181 -0.333 1.00 0.00 H new ATOM 617 N GLY A 37 -15.660 10.291 1.011 1.00 0.00 N ATOM 618 CA GLY A 37 -15.888 11.564 1.741 1.00 0.00 C ATOM 619 C GLY A 37 -15.265 11.609 3.150 1.00 0.00 C ATOM 620 O GLY A 37 -15.992 11.587 4.147 1.00 0.00 O ATOM 0 H GLY A 37 -16.374 9.583 1.181 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -15.482 12.385 1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -16.961 11.733 1.826 1.00 0.00 H new ATOM 624 N GLY A 38 -13.922 11.672 3.213 1.00 0.00 N ATOM 625 CA GLY A 38 -13.161 11.620 4.486 1.00 0.00 C ATOM 626 C GLY A 38 -13.278 10.323 5.322 1.00 0.00 C ATOM 627 O GLY A 38 -13.582 10.407 6.515 1.00 0.00 O ATOM 0 H GLY A 38 -13.330 11.760 2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.108 11.782 4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.484 12.454 5.108 1.00 0.00 H new ATOM 631 N LYS A 39 -13.057 9.150 4.697 1.00 0.00 N ATOM 632 CA LYS A 39 -13.271 7.828 5.347 1.00 0.00 C ATOM 633 C LYS A 39 -12.117 6.917 4.850 1.00 0.00 C ATOM 634 O LYS A 39 -12.169 6.407 3.726 1.00 0.00 O ATOM 635 CB LYS A 39 -14.674 7.217 5.021 1.00 0.00 C ATOM 636 CG LYS A 39 -15.931 8.073 5.320 1.00 0.00 C ATOM 637 CD LYS A 39 -16.233 8.351 6.812 1.00 0.00 C ATOM 638 CE LYS A 39 -17.046 9.635 7.085 1.00 0.00 C ATOM 639 NZ LYS A 39 -18.406 9.627 6.512 1.00 0.00 N ATOM 0 H LYS A 39 -12.727 9.084 3.734 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.260 7.929 6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.689 6.962 3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.768 6.283 5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.823 9.030 4.809 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.796 7.574 4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.778 7.500 7.222 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.289 8.415 7.353 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.119 9.782 8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.500 10.489 6.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.884 10.522 6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.347 9.519 5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.947 8.834 6.913 1.00 0.00 H new ATOM 653 N THR A 40 -11.060 6.749 5.670 1.00 0.00 N ATOM 654 CA THR A 40 -9.812 6.049 5.248 1.00 0.00 C ATOM 655 C THR A 40 -9.848 4.536 5.627 1.00 0.00 C ATOM 656 O THR A 40 -9.956 4.178 6.805 1.00 0.00 O ATOM 657 CB THR A 40 -8.548 6.818 5.745 1.00 0.00 C ATOM 658 OG1 THR A 40 -7.383 6.233 5.171 1.00 0.00 O ATOM 659 CG2 THR A 40 -8.328 6.918 7.267 1.00 0.00 C ATOM 0 H THR A 40 -11.038 7.087 6.632 1.00 0.00 H new ATOM 0 HA THR A 40 -9.748 6.059 4.160 1.00 0.00 H new ATOM 0 HB THR A 40 -8.732 7.842 5.420 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.638 5.689 4.396 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.414 7.478 7.467 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.175 7.430 7.724 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.239 5.917 7.688 1.00 0.00 H new ATOM 667 N GLY A 41 -9.722 3.666 4.609 1.00 0.00 N ATOM 668 CA GLY A 41 -9.526 2.210 4.802 1.00 0.00 C ATOM 669 C GLY A 41 -8.042 1.813 4.986 1.00 0.00 C ATOM 670 O GLY A 41 -7.151 2.397 4.365 1.00 0.00 O ATOM 0 H GLY A 41 -9.753 3.948 3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.093 1.886 5.675 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.934 1.678 3.942 1.00 0.00 H new ATOM 674 N ARG A 42 -7.795 0.806 5.840 1.00 0.00 N ATOM 675 CA ARG A 42 -6.421 0.407 6.254 1.00 0.00 C ATOM 676 C ARG A 42 -6.078 -0.996 5.670 1.00 0.00 C ATOM 677 O ARG A 42 -6.642 -2.010 6.095 1.00 0.00 O ATOM 678 CB ARG A 42 -6.358 0.478 7.806 1.00 0.00 C ATOM 679 CG ARG A 42 -4.958 0.267 8.432 1.00 0.00 C ATOM 680 CD ARG A 42 -4.893 0.527 9.953 1.00 0.00 C ATOM 681 NE ARG A 42 -5.664 -0.466 10.747 1.00 0.00 N ATOM 682 CZ ARG A 42 -5.961 -0.335 12.055 1.00 0.00 C ATOM 683 NH1 ARG A 42 -5.580 0.697 12.807 1.00 0.00 N ATOM 684 NH2 ARG A 42 -6.675 -1.286 12.628 1.00 0.00 N ATOM 0 H ARG A 42 -8.531 0.243 6.266 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.661 1.081 5.858 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.734 1.451 8.122 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.035 -0.273 8.213 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.637 -0.756 8.237 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.247 0.925 7.933 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.852 0.511 10.274 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.275 1.526 10.162 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.991 -1.305 10.268 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.029 1.451 12.397 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.840 0.733 13.793 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.985 -2.090 12.082 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.917 -1.217 13.617 1.00 0.00 H new ATOM 698 N GLY A 43 -5.134 -1.030 4.711 1.00 0.00 N ATOM 699 CA GLY A 43 -4.602 -2.286 4.127 1.00 0.00 C ATOM 700 C GLY A 43 -3.181 -2.666 4.612 1.00 0.00 C ATOM 701 O GLY A 43 -2.530 -1.937 5.369 1.00 0.00 O ATOM 0 H GLY A 43 -4.715 -0.188 4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.285 -3.101 4.367 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.589 -2.190 3.041 1.00 0.00 H new ATOM 705 N ALA A 44 -2.711 -3.841 4.150 1.00 0.00 N ATOM 706 CA ALA A 44 -1.361 -4.373 4.491 1.00 0.00 C ATOM 707 C ALA A 44 -0.801 -5.276 3.352 1.00 0.00 C ATOM 708 O ALA A 44 -1.542 -6.000 2.677 1.00 0.00 O ATOM 709 CB ALA A 44 -1.406 -5.148 5.826 1.00 0.00 C ATOM 0 H ALA A 44 -3.247 -4.451 3.533 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.687 -3.524 4.603 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.412 -5.529 6.059 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.735 -4.481 6.623 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.103 -5.982 5.740 1.00 0.00 H new ATOM 715 N VAL A 45 0.534 -5.226 3.162 1.00 0.00 N ATOM 716 CA VAL A 45 1.252 -5.969 2.085 1.00 0.00 C ATOM 717 C VAL A 45 2.641 -6.426 2.639 1.00 0.00 C ATOM 718 O VAL A 45 3.407 -5.608 3.152 1.00 0.00 O ATOM 719 CB VAL A 45 1.319 -5.118 0.764 1.00 0.00 C ATOM 720 CG1 VAL A 45 2.172 -3.827 0.832 1.00 0.00 C ATOM 721 CG2 VAL A 45 1.746 -5.957 -0.457 1.00 0.00 C ATOM 0 H VAL A 45 1.154 -4.669 3.750 1.00 0.00 H new ATOM 0 HA VAL A 45 0.709 -6.870 1.800 1.00 0.00 H new ATOM 0 HB VAL A 45 0.287 -4.787 0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.146 -3.322 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.769 -3.165 1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.202 -4.084 1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.776 -5.322 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.735 -6.380 -0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.029 -6.763 -0.613 1.00 0.00 H new ATOM 731 N SER A 46 2.984 -7.722 2.503 1.00 0.00 N ATOM 732 CA SER A 46 4.275 -8.284 3.012 1.00 0.00 C ATOM 733 C SER A 46 5.541 -7.825 2.208 1.00 0.00 C ATOM 734 O SER A 46 5.435 -7.170 1.166 1.00 0.00 O ATOM 735 CB SER A 46 4.139 -9.828 3.080 1.00 0.00 C ATOM 736 OG SER A 46 3.114 -10.222 3.987 1.00 0.00 O ATOM 0 H SER A 46 2.389 -8.412 2.044 1.00 0.00 H new ATOM 0 HA SER A 46 4.451 -7.881 4.009 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.918 -10.219 2.087 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.088 -10.265 3.390 1.00 0.00 H new ATOM 0 HG SER A 46 3.052 -11.200 4.006 1.00 0.00 H new ATOM 742 N GLU A 47 6.747 -8.152 2.722 1.00 0.00 N ATOM 743 CA GLU A 47 8.046 -7.726 2.113 1.00 0.00 C ATOM 744 C GLU A 47 8.357 -8.352 0.716 1.00 0.00 C ATOM 745 O GLU A 47 8.579 -7.587 -0.228 1.00 0.00 O ATOM 746 CB GLU A 47 9.221 -7.920 3.116 1.00 0.00 C ATOM 747 CG GLU A 47 9.265 -6.945 4.320 1.00 0.00 C ATOM 748 CD GLU A 47 9.594 -5.476 4.005 1.00 0.00 C ATOM 749 OE1 GLU A 47 9.961 -5.065 2.903 1.00 0.00 O ATOM 750 OE2 GLU A 47 9.436 -4.674 5.105 1.00 0.00 O ATOM 0 H GLU A 47 6.858 -8.715 3.565 1.00 0.00 H new ATOM 0 HA GLU A 47 7.933 -6.662 1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.176 -8.938 3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.158 -7.828 2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.297 -6.978 4.820 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.004 -7.315 5.031 1.00 0.00 H new ATOM 758 N LYS A 48 8.326 -9.697 0.554 1.00 0.00 N ATOM 759 CA LYS A 48 8.301 -10.340 -0.800 1.00 0.00 C ATOM 760 C LYS A 48 7.042 -10.007 -1.676 1.00 0.00 C ATOM 761 O LYS A 48 7.185 -9.881 -2.896 1.00 0.00 O ATOM 762 CB LYS A 48 8.492 -11.885 -0.718 1.00 0.00 C ATOM 763 CG LYS A 48 9.941 -12.385 -0.500 1.00 0.00 C ATOM 764 CD LYS A 48 10.102 -13.887 -0.836 1.00 0.00 C ATOM 765 CE LYS A 48 11.551 -14.420 -0.823 1.00 0.00 C ATOM 766 NZ LYS A 48 11.994 -14.881 0.505 1.00 0.00 N ATOM 0 H LYS A 48 8.318 -10.359 1.330 1.00 0.00 H new ATOM 0 HA LYS A 48 9.153 -9.890 -1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.873 -12.264 0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.112 -12.326 -1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.621 -11.801 -1.120 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.230 -12.214 0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.514 -14.466 -0.123 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.676 -14.068 -1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.633 -15.244 -1.531 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.222 -13.634 -1.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.973 -15.226 0.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.946 -14.092 1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.375 -15.652 0.829 1.00 0.00 H new ATOM 780 N ASP A 49 5.842 -9.862 -1.076 1.00 0.00 N ATOM 781 CA ASP A 49 4.588 -9.491 -1.794 1.00 0.00 C ATOM 782 C ASP A 49 4.591 -8.105 -2.522 1.00 0.00 C ATOM 783 O ASP A 49 4.060 -8.031 -3.634 1.00 0.00 O ATOM 784 CB ASP A 49 3.425 -9.631 -0.772 1.00 0.00 C ATOM 785 CG ASP A 49 1.977 -9.528 -1.277 1.00 0.00 C ATOM 786 OD1 ASP A 49 1.723 -9.620 -2.499 1.00 0.00 O ATOM 787 OD2 ASP A 49 1.073 -9.371 -0.426 1.00 0.00 O ATOM 0 H ASP A 49 5.707 -9.998 -0.074 1.00 0.00 H new ATOM 0 HA ASP A 49 4.470 -10.174 -2.635 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.534 -10.597 -0.279 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.563 -8.866 -0.008 1.00 0.00 H new ATOM 792 N ALA A 50 5.173 -7.036 -1.932 1.00 0.00 N ATOM 793 CA ALA A 50 5.261 -5.698 -2.575 1.00 0.00 C ATOM 794 C ALA A 50 6.307 -5.691 -3.741 1.00 0.00 C ATOM 795 O ALA A 50 7.476 -5.984 -3.461 1.00 0.00 O ATOM 796 CB ALA A 50 5.625 -4.653 -1.502 1.00 0.00 C ATOM 0 H ALA A 50 5.593 -7.072 -1.003 1.00 0.00 H new ATOM 0 HA ALA A 50 4.295 -5.449 -3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.692 -3.667 -1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.856 -4.641 -0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.585 -4.911 -1.054 1.00 0.00 H new ATOM 802 N PRO A 51 5.964 -5.407 -5.036 1.00 0.00 N ATOM 803 CA PRO A 51 6.875 -5.674 -6.180 1.00 0.00 C ATOM 804 C PRO A 51 8.059 -4.674 -6.350 1.00 0.00 C ATOM 805 O PRO A 51 9.204 -5.100 -6.172 1.00 0.00 O ATOM 806 CB PRO A 51 5.912 -5.793 -7.380 1.00 0.00 C ATOM 807 CG PRO A 51 4.687 -4.963 -6.998 1.00 0.00 C ATOM 808 CD PRO A 51 4.584 -5.117 -5.480 1.00 0.00 C ATOM 0 HA PRO A 51 7.459 -6.583 -6.037 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.373 -5.416 -8.293 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.641 -6.832 -7.565 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.809 -3.918 -7.284 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.789 -5.327 -7.497 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.202 -4.208 -5.015 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.903 -5.924 -5.209 1.00 0.00 H new ATOM 816 N LYS A 52 7.817 -3.395 -6.723 1.00 0.00 N ATOM 817 CA LYS A 52 8.909 -2.461 -7.133 1.00 0.00 C ATOM 818 C LYS A 52 8.590 -0.957 -6.870 1.00 0.00 C ATOM 819 O LYS A 52 9.445 -0.276 -6.299 1.00 0.00 O ATOM 820 CB LYS A 52 9.348 -2.751 -8.601 1.00 0.00 C ATOM 821 CG LYS A 52 10.717 -2.159 -9.010 1.00 0.00 C ATOM 822 CD LYS A 52 11.322 -2.852 -10.249 1.00 0.00 C ATOM 823 CE LYS A 52 12.700 -2.289 -10.641 1.00 0.00 C ATOM 824 NZ LYS A 52 13.325 -3.091 -11.709 1.00 0.00 N ATOM 0 H LYS A 52 6.885 -2.982 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 52 9.761 -2.661 -6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.379 -3.831 -8.747 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.586 -2.360 -9.275 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.601 -1.095 -9.215 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.411 -2.249 -8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.415 -3.920 -10.052 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.638 -2.742 -11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.591 -1.257 -10.975 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.351 -2.274 -9.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.252 -2.686 -11.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.450 -4.070 -11.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.714 -3.084 -12.551 1.00 0.00 H new ATOM 838 N GLU A 53 7.418 -0.425 -7.287 1.00 0.00 N ATOM 839 CA GLU A 53 7.108 1.040 -7.228 1.00 0.00 C ATOM 840 C GLU A 53 7.181 1.702 -5.814 1.00 0.00 C ATOM 841 O GLU A 53 7.890 2.701 -5.658 1.00 0.00 O ATOM 842 CB GLU A 53 5.736 1.346 -7.892 1.00 0.00 C ATOM 843 CG GLU A 53 5.659 1.119 -9.416 1.00 0.00 C ATOM 844 CD GLU A 53 4.265 1.429 -9.967 1.00 0.00 C ATOM 845 OE1 GLU A 53 3.369 0.590 -10.041 1.00 0.00 O ATOM 846 OE2 GLU A 53 4.134 2.739 -10.351 1.00 0.00 O ATOM 0 H GLU A 53 6.659 -0.987 -7.673 1.00 0.00 H new ATOM 0 HA GLU A 53 7.919 1.500 -7.793 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.977 0.728 -7.413 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.478 2.385 -7.685 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.395 1.749 -9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.918 0.085 -9.643 1.00 0.00 H new ATOM 854 N LEU A 54 6.484 1.145 -4.801 1.00 0.00 N ATOM 855 CA LEU A 54 6.577 1.620 -3.386 1.00 0.00 C ATOM 856 C LEU A 54 7.971 1.430 -2.696 1.00 0.00 C ATOM 857 O LEU A 54 8.357 2.283 -1.891 1.00 0.00 O ATOM 858 CB LEU A 54 5.446 0.977 -2.526 1.00 0.00 C ATOM 859 CG LEU A 54 3.972 1.328 -2.891 1.00 0.00 C ATOM 860 CD1 LEU A 54 2.986 0.434 -2.112 1.00 0.00 C ATOM 861 CD2 LEU A 54 3.627 2.814 -2.653 1.00 0.00 C ATOM 0 H LEU A 54 5.845 0.361 -4.929 1.00 0.00 H new ATOM 0 HA LEU A 54 6.447 2.701 -3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.557 -0.106 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.611 1.262 -1.487 1.00 0.00 H new ATOM 0 HG LEU A 54 3.873 1.140 -3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.964 0.697 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.169 -0.612 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.127 0.583 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.587 2.994 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.773 3.057 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.277 3.441 -3.264 1.00 0.00 H new ATOM 873 N LEU A 55 8.723 0.353 -3.015 1.00 0.00 N ATOM 874 CA LEU A 55 10.105 0.122 -2.501 1.00 0.00 C ATOM 875 C LEU A 55 11.191 1.156 -2.960 1.00 0.00 C ATOM 876 O LEU A 55 12.045 1.516 -2.144 1.00 0.00 O ATOM 877 CB LEU A 55 10.562 -1.328 -2.846 1.00 0.00 C ATOM 878 CG LEU A 55 9.744 -2.516 -2.254 1.00 0.00 C ATOM 879 CD1 LEU A 55 10.215 -3.852 -2.860 1.00 0.00 C ATOM 880 CD2 LEU A 55 9.805 -2.590 -0.714 1.00 0.00 C ATOM 0 H LEU A 55 8.394 -0.386 -3.637 1.00 0.00 H new ATOM 0 HA LEU A 55 10.030 0.268 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.559 -1.429 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.596 -1.439 -2.518 1.00 0.00 H new ATOM 0 HG LEU A 55 8.704 -2.333 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.633 -4.670 -2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.075 -3.831 -3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.271 -4.002 -2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.215 -3.438 -0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.840 -2.714 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.403 -1.670 -0.289 1.00 0.00 H new ATOM 892 N GLN A 56 11.169 1.626 -4.227 1.00 0.00 N ATOM 893 CA GLN A 56 12.163 2.607 -4.765 1.00 0.00 C ATOM 894 C GLN A 56 12.153 4.031 -4.117 1.00 0.00 C ATOM 895 O GLN A 56 13.230 4.607 -3.938 1.00 0.00 O ATOM 896 CB GLN A 56 12.013 2.738 -6.308 1.00 0.00 C ATOM 897 CG GLN A 56 12.368 1.472 -7.131 1.00 0.00 C ATOM 898 CD GLN A 56 12.315 1.574 -8.671 1.00 0.00 C ATOM 899 OE1 GLN A 56 13.123 0.953 -9.361 1.00 0.00 O ATOM 900 NE2 GLN A 56 11.376 2.303 -9.262 1.00 0.00 N ATOM 0 H GLN A 56 10.467 1.343 -4.911 1.00 0.00 H new ATOM 0 HA GLN A 56 13.128 2.181 -4.491 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.983 3.017 -6.532 1.00 0.00 H new ATOM 0 HB3 GLN A 56 12.646 3.558 -6.647 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.375 1.162 -6.851 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.692 0.674 -6.825 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.702 2.821 -8.698 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.328 2.345 -10.280 1.00 0.00 H new ATOM 909 N MET A 57 10.973 4.598 -3.787 1.00 0.00 N ATOM 910 CA MET A 57 10.842 5.984 -3.246 1.00 0.00 C ATOM 911 C MET A 57 11.498 6.208 -1.848 1.00 0.00 C ATOM 912 O MET A 57 12.303 7.134 -1.703 1.00 0.00 O ATOM 913 CB MET A 57 9.348 6.418 -3.223 1.00 0.00 C ATOM 914 CG MET A 57 8.644 6.499 -4.588 1.00 0.00 C ATOM 915 SD MET A 57 6.904 6.901 -4.335 1.00 0.00 S ATOM 916 CE MET A 57 6.244 6.549 -5.976 1.00 0.00 C ATOM 0 H MET A 57 10.080 4.115 -3.885 1.00 0.00 H new ATOM 0 HA MET A 57 11.407 6.616 -3.931 1.00 0.00 H new ATOM 0 HB2 MET A 57 8.797 5.718 -2.594 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.282 7.395 -2.745 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.118 7.258 -5.211 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.737 5.550 -5.116 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.172 6.748 -5.988 1.00 0.00 H new ATOM 0 HE2 MET A 57 6.739 7.184 -6.711 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.421 5.502 -6.223 1.00 0.00 H new ATOM 926 N LEU A 58 11.160 5.377 -0.839 1.00 0.00 N ATOM 927 CA LEU A 58 11.673 5.529 0.554 1.00 0.00 C ATOM 928 C LEU A 58 13.173 5.161 0.804 1.00 0.00 C ATOM 929 O LEU A 58 13.720 5.653 1.796 1.00 0.00 O ATOM 930 CB LEU A 58 10.738 4.764 1.540 1.00 0.00 C ATOM 931 CG LEU A 58 9.285 5.305 1.704 1.00 0.00 C ATOM 932 CD1 LEU A 58 8.407 4.304 2.483 1.00 0.00 C ATOM 933 CD2 LEU A 58 9.229 6.688 2.389 1.00 0.00 C ATOM 0 H LEU A 58 10.529 4.585 -0.958 1.00 0.00 H new ATOM 0 HA LEU A 58 11.653 6.603 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.678 3.726 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.211 4.762 2.522 1.00 0.00 H new ATOM 0 HG LEU A 58 8.894 5.425 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.399 4.706 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.368 3.357 1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.833 4.140 3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.191 7.010 2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.670 6.620 3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.786 7.412 1.794 1.00 0.00 H new ATOM 945 N GLU A 59 13.840 4.347 -0.048 1.00 0.00 N ATOM 946 CA GLU A 59 15.311 4.095 0.052 1.00 0.00 C ATOM 947 C GLU A 59 16.087 4.485 -1.255 1.00 0.00 C ATOM 948 O GLU A 59 16.979 3.750 -1.692 1.00 0.00 O ATOM 949 CB GLU A 59 15.503 2.617 0.513 1.00 0.00 C ATOM 950 CG GLU A 59 16.888 2.296 1.121 1.00 0.00 C ATOM 951 CD GLU A 59 17.025 0.839 1.581 1.00 0.00 C ATOM 952 OE1 GLU A 59 16.293 0.322 2.424 1.00 0.00 O ATOM 953 OE2 GLU A 59 18.061 0.190 0.959 1.00 0.00 O ATOM 0 H GLU A 59 13.389 3.850 -0.816 1.00 0.00 H new ATOM 0 HA GLU A 59 15.762 4.749 0.798 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.736 2.380 1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.338 1.961 -0.342 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.660 2.511 0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.066 2.956 1.970 1.00 0.00 H new ATOM 961 N LYS A 60 15.802 5.667 -1.848 1.00 0.00 N ATOM 962 CA LYS A 60 16.604 6.253 -2.962 1.00 0.00 C ATOM 963 C LYS A 60 16.278 7.766 -3.136 1.00 0.00 C ATOM 964 O LYS A 60 17.205 8.581 -3.094 1.00 0.00 O ATOM 965 CB LYS A 60 16.523 5.463 -4.311 1.00 0.00 C ATOM 966 CG LYS A 60 17.657 5.771 -5.323 1.00 0.00 C ATOM 967 CD LYS A 60 17.377 6.943 -6.297 1.00 0.00 C ATOM 968 CE LYS A 60 18.628 7.690 -6.803 1.00 0.00 C ATOM 969 NZ LYS A 60 19.244 8.538 -5.762 1.00 0.00 N ATOM 0 H LYS A 60 15.010 6.247 -1.572 1.00 0.00 H new ATOM 0 HA LYS A 60 17.648 6.156 -2.665 1.00 0.00 H new ATOM 0 HB2 LYS A 60 16.534 4.396 -4.090 1.00 0.00 H new ATOM 0 HB3 LYS A 60 15.566 5.680 -4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 60 18.567 5.993 -4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 60 17.852 4.873 -5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 60 16.831 6.556 -7.158 1.00 0.00 H new ATOM 0 HD3 LYS A 60 16.722 7.659 -5.800 1.00 0.00 H new ATOM 0 HE2 LYS A 60 19.361 6.965 -7.156 1.00 0.00 H new ATOM 0 HE3 LYS A 60 18.356 8.310 -7.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 19.371 9.502 -6.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 18.626 8.565 -4.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 20.169 8.144 -5.496 1.00 0.00 H new ATOM 983 N GLN A 61 15.002 8.137 -3.390 1.00 0.00 N ATOM 984 CA GLN A 61 14.627 9.489 -3.893 1.00 0.00 C ATOM 985 C GLN A 61 14.739 10.580 -2.784 1.00 0.00 C ATOM 986 O GLN A 61 15.786 11.231 -2.712 1.00 0.00 O ATOM 987 CB GLN A 61 13.251 9.414 -4.621 1.00 0.00 C ATOM 988 CG GLN A 61 13.271 8.659 -5.974 1.00 0.00 C ATOM 989 CD GLN A 61 11.887 8.459 -6.614 1.00 0.00 C ATOM 990 OE1 GLN A 61 11.340 7.357 -6.613 1.00 0.00 O ATOM 991 NE2 GLN A 61 11.303 9.500 -7.190 1.00 0.00 N ATOM 0 H GLN A 61 14.204 7.516 -3.255 1.00 0.00 H new ATOM 0 HA GLN A 61 15.347 9.818 -4.642 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.533 8.928 -3.961 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.891 10.428 -4.793 1.00 0.00 H new ATOM 0 HG2 GLN A 61 13.904 9.207 -6.672 1.00 0.00 H new ATOM 0 HG3 GLN A 61 13.732 7.683 -5.824 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.764 10.410 -7.186 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.393 9.391 -7.637 1.00 0.00 H new ATOM 1000 N LYS A 62 13.712 10.780 -1.931 1.00 0.00 N ATOM 1001 CA LYS A 62 13.775 11.758 -0.811 1.00 0.00 C ATOM 1002 C LYS A 62 12.677 11.431 0.225 1.00 0.00 C ATOM 1003 O LYS A 62 11.490 11.269 -0.147 1.00 0.00 O ATOM 1004 CB LYS A 62 13.705 13.254 -1.268 1.00 0.00 C ATOM 1005 CG LYS A 62 14.924 14.127 -0.881 1.00 0.00 C ATOM 1006 CD LYS A 62 15.205 14.319 0.631 1.00 0.00 C ATOM 1007 CE LYS A 62 14.125 15.049 1.457 1.00 0.00 C ATOM 1008 NZ LYS A 62 14.007 16.481 1.125 1.00 0.00 N ATOM 1009 OXT LYS A 62 13.000 11.363 1.432 1.00 0.00 O ATOM 0 H LYS A 62 12.826 10.279 -1.992 1.00 0.00 H new ATOM 0 HA LYS A 62 14.757 11.651 -0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.591 13.280 -2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.808 13.704 -0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.812 13.689 -1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.790 15.112 -1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.363 13.336 1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.140 14.869 0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.162 14.564 1.293 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.357 14.947 2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.266 16.914 1.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.914 16.955 1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.757 16.585 0.121 1.00 0.00 H new TER 1023 LYS A 62 END