USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 328 hydrogens (0 hets) HEADER LIPOPOLYSACCHARIDE-BINDING PROTEIN 12-JAN-95 1LYP TITLE THE SOLUTION STRUCTURE OF THE ACTIVE DOMAIN OF CAP18: A TITLE 2 LIPOPOLYSACCHARIDE BINDING PROTEIN FROM RABBIT LEUKOCYTES COMPND MOL_ID: 1; COMPND 2 MOLECULE: CAP18; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; SOURCE 3 ORGANISM_COMMON: RABBIT; SOURCE 4 ORGANISM_TAXID: 9986 KEYWDS LIPOPOLYSACCHARIDE-BINDING PROTEIN EXPDTA SOLUTION NMR AUTHOR C.CHEN,T.-H.HUANG REVDAT 2 24-FEB-09 1LYP 1 VERSN REVDAT 1 31-MAR-95 1LYP 0 JRNL AUTH C.CHEN,R.BROCK,F.LUH,P.J.CHOU,J.W.LARRICK, JRNL AUTH 2 R.F.HUANG,T.H.HUANG JRNL TITL THE SOLUTION STRUCTURE OF THE ACTIVE DOMAIN OF JRNL TITL 2 CAP18--A LIPOPOLYSACCHARIDE BINDING PROTEIN FROM JRNL TITL 3 RABBIT LEUKOCYTES. JRNL REF FEBS LETT. V. 370 46 1995 JRNL REFN ISSN 0014-5793 JRNL PMID 7649303 JRNL DOI 10.1016/0014-5793(95)00792-8 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.W.LARRICK,M.HIRATA,R.F.BALINT,T.-H.HUANG,C.CHEN, REMARK 1 AUTH 2 J.ZHONG,S.C.WRIGHT REMARK 1 TITL CAP18: A NOVEL LPS BINDING(SLASH)ANTIMICROBIAL REMARK 1 TITL 2 PROTEIN REMARK 1 REF TO BE PUBLISHED REMARK 1 REFN REMARK 1 REFERENCE 2 REMARK 1 AUTH J.W.LARRICK,J.G.MORGAN,I.PALINGS,M.HIRATA,M.H.YEN REMARK 1 TITL COMPLEMENTARY DNA SEQUENCE OF RABBIT CAP18-A REMARK 1 TITL 2 UNIQUE LIPOPOLYSACCHARIDE BINDING PROTEIN REMARK 1 REF BIOCHEM.BIOPHYS.RES.COMMUN. V. 179 170 1991 REMARK 1 REFN ISSN 0006-291X REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LYP 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) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL 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 : NULL REMARK 210 REMARK 210 REMARK: NULL 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 ARG A 10 -6.52 -59.33 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 3 0.23 SIDE_CHAIN REMARK 500 ARG A 5 0.25 SIDE_CHAIN REMARK 500 ARG A 7 0.32 SIDE_CHAIN REMARK 500 ARG A 10 0.08 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1LYP A 1 32 UNP P25230 CAP18_RABIT 135 166 SEQRES 1 A 32 GLY LEU ARG LYS ARG LEU ARG LYS PHE ARG ASN LYS ILE SEQRES 2 A 32 LYS GLU LYS LEU LYS LYS ILE GLY GLN LYS ILE GLN GLY SEQRES 3 A 32 LEU LEU PRO LYS LEU ALA HELIX 1 A GLY A 1 ALA A 32 1 32 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 GLY N :NH3+ -166:sc= -0.0511 (180deg=-0.261) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN :FLIP amide:sc= -2.26! C(o=-3.5!,f=-2.3!) USER MOD Single : A 12 LYS NZ :NH3+ -101:sc= -0.211 (180deg=-0.836) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -3.58! C(o=-3.6!,f=-3.1!) USER MOD Single : A 23 LYS NZ :NH3+ 152:sc= -0.101 (180deg=-0.637) USER MOD Single : A 25 GLN : amide:sc= -3.87! C(o=-3.9!,f=-12!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.459 11.198 -7.520 1.00 0.00 N ATOM 2 CA GLY A 1 24.945 11.896 -6.296 1.00 0.00 C ATOM 3 C GLY A 1 23.757 12.467 -5.518 1.00 0.00 C ATOM 4 O GLY A 1 23.791 12.558 -4.307 1.00 0.00 O ATOM 0 H1 GLY A 1 25.225 10.616 -7.915 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.653 10.589 -7.275 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.160 11.901 -8.225 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.503 11.202 -5.668 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.630 12.698 -6.571 1.00 0.00 H new ATOM 10 N LEU A 2 22.732 12.840 -6.235 1.00 0.00 N ATOM 11 CA LEU A 2 21.532 13.407 -5.562 1.00 0.00 C ATOM 12 C LEU A 2 20.952 12.423 -4.548 1.00 0.00 C ATOM 13 O LEU A 2 20.500 12.812 -3.489 1.00 0.00 O ATOM 14 CB LEU A 2 20.473 13.687 -6.633 1.00 0.00 C ATOM 15 CG LEU A 2 19.206 14.219 -5.962 1.00 0.00 C ATOM 16 CD1 LEU A 2 18.694 15.428 -6.747 1.00 0.00 C ATOM 17 CD2 LEU A 2 18.135 13.127 -5.967 1.00 0.00 C ATOM 0 H LEU A 2 22.675 12.777 -7.251 1.00 0.00 H new ATOM 0 HA LEU A 2 21.818 14.317 -5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 2 20.850 14.414 -7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 2 20.250 12.776 -7.187 1.00 0.00 H new ATOM 0 HG LEU A 2 19.428 14.511 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 2 17.790 15.813 -6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 2 19.458 16.206 -6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 2 18.468 15.128 -7.770 1.00 0.00 H new ATOM 0 HD21 LEU A 2 17.230 13.503 -5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 2 17.911 12.842 -6.995 1.00 0.00 H new ATOM 0 HD23 LEU A 2 18.500 12.257 -5.420 1.00 0.00 H new ATOM 29 N ARG A 3 20.975 11.165 -4.892 1.00 0.00 N ATOM 30 CA ARG A 3 20.429 10.142 -3.962 1.00 0.00 C ATOM 31 C ARG A 3 21.151 10.185 -2.616 1.00 0.00 C ATOM 32 O ARG A 3 20.548 10.431 -1.590 1.00 0.00 O ATOM 33 CB ARG A 3 20.643 8.760 -4.594 1.00 0.00 C ATOM 34 CG ARG A 3 19.921 8.706 -5.945 1.00 0.00 C ATOM 35 CD ARG A 3 20.396 7.477 -6.723 1.00 0.00 C ATOM 36 NE ARG A 3 19.933 6.249 -6.018 1.00 0.00 N ATOM 37 CZ ARG A 3 20.727 5.665 -5.164 1.00 0.00 C ATOM 38 NH1 ARG A 3 21.970 5.454 -5.500 1.00 0.00 N ATOM 39 NH2 ARG A 3 20.252 5.314 -4.000 1.00 0.00 N ATOM 0 H ARG A 3 21.346 10.805 -5.771 1.00 0.00 H new ATOM 0 HA ARG A 3 19.371 10.341 -3.793 1.00 0.00 H new ATOM 0 HB2 ARG A 3 21.708 8.570 -4.729 1.00 0.00 H new ATOM 0 HB3 ARG A 3 20.262 7.982 -3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 3 18.843 8.660 -5.793 1.00 0.00 H new ATOM 0 HG3 ARG A 3 20.124 9.613 -6.515 1.00 0.00 H new ATOM 0 HD2 ARG A 3 20.002 7.499 -7.739 1.00 0.00 H new ATOM 0 HD3 ARG A 3 21.483 7.478 -6.802 1.00 0.00 H new ATOM 0 HE ARG A 3 19.004 5.869 -6.201 1.00 0.00 H new ATOM 0 HH11 ARG A 3 22.307 5.745 -6.418 1.00 0.00 H new ATOM 0 HH12 ARG A 3 22.605 4.999 -4.845 1.00 0.00 H new ATOM 0 HH21 ARG A 3 19.275 5.498 -3.771 1.00 0.00 H new ATOM 0 HH22 ARG A 3 20.858 4.856 -3.319 1.00 0.00 H new ATOM 53 N LYS A 4 22.432 9.946 -2.650 1.00 0.00 N ATOM 54 CA LYS A 4 23.222 9.965 -1.390 1.00 0.00 C ATOM 55 C LYS A 4 22.856 11.165 -0.516 1.00 0.00 C ATOM 56 O LYS A 4 22.792 11.057 0.692 1.00 0.00 O ATOM 57 CB LYS A 4 24.706 10.073 -1.762 1.00 0.00 C ATOM 58 CG LYS A 4 25.558 9.849 -0.511 1.00 0.00 C ATOM 59 CD LYS A 4 27.038 9.975 -0.885 1.00 0.00 C ATOM 60 CE LYS A 4 27.849 10.308 0.369 1.00 0.00 C ATOM 61 NZ LYS A 4 29.256 9.843 0.217 1.00 0.00 N ATOM 0 H LYS A 4 22.965 9.739 -3.495 1.00 0.00 H new ATOM 0 HA LYS A 4 23.009 9.054 -0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 4 24.957 9.335 -2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 4 24.916 11.054 -2.188 1.00 0.00 H new ATOM 0 HG2 LYS A 4 25.300 10.580 0.256 1.00 0.00 H new ATOM 0 HG3 LYS A 4 25.359 8.863 -0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 4 27.394 9.044 -1.326 1.00 0.00 H new ATOM 0 HD3 LYS A 4 27.170 10.754 -1.635 1.00 0.00 H new ATOM 0 HE2 LYS A 4 27.832 11.383 0.546 1.00 0.00 H new ATOM 0 HE3 LYS A 4 27.395 9.835 1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 29.793 10.076 1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 29.267 8.813 0.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 29.691 10.314 -0.602 1.00 0.00 H new ATOM 75 N ARG A 5 22.620 12.285 -1.142 1.00 0.00 N ATOM 76 CA ARG A 5 22.259 13.499 -0.359 1.00 0.00 C ATOM 77 C ARG A 5 20.827 13.430 0.174 1.00 0.00 C ATOM 78 O ARG A 5 20.567 13.804 1.301 1.00 0.00 O ATOM 79 CB ARG A 5 22.379 14.716 -1.284 1.00 0.00 C ATOM 80 CG ARG A 5 23.821 14.829 -1.785 1.00 0.00 C ATOM 81 CD ARG A 5 24.323 16.256 -1.550 1.00 0.00 C ATOM 82 NE ARG A 5 25.627 16.434 -2.249 1.00 0.00 N ATOM 83 CZ ARG A 5 26.586 17.095 -1.659 1.00 0.00 C ATOM 84 NH1 ARG A 5 26.954 16.736 -0.459 1.00 0.00 N ATOM 85 NH2 ARG A 5 27.140 18.097 -2.286 1.00 0.00 N ATOM 0 H ARG A 5 22.661 12.411 -2.153 1.00 0.00 H new ATOM 0 HA ARG A 5 22.932 13.572 0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 5 21.696 14.615 -2.127 1.00 0.00 H new ATOM 0 HB3 ARG A 5 22.095 15.623 -0.750 1.00 0.00 H new ATOM 0 HG2 ARG A 5 24.458 14.116 -1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 5 23.871 14.583 -2.846 1.00 0.00 H new ATOM 0 HD2 ARG A 5 23.595 16.977 -1.922 1.00 0.00 H new ATOM 0 HD3 ARG A 5 24.440 16.443 -0.482 1.00 0.00 H new ATOM 0 HE ARG A 5 25.769 16.043 -3.180 1.00 0.00 H new ATOM 0 HH11 ARG A 5 26.494 15.951 0.002 1.00 0.00 H new ATOM 0 HH12 ARG A 5 27.701 17.241 0.018 1.00 0.00 H new ATOM 0 HH21 ARG A 5 26.822 18.352 -3.221 1.00 0.00 H new ATOM 0 HH22 ARG A 5 27.891 18.625 -1.841 1.00 0.00 H new ATOM 99 N LEU A 6 19.925 12.959 -0.641 1.00 0.00 N ATOM 100 CA LEU A 6 18.508 12.866 -0.184 1.00 0.00 C ATOM 101 C LEU A 6 18.368 11.879 0.974 1.00 0.00 C ATOM 102 O LEU A 6 17.789 12.198 1.994 1.00 0.00 O ATOM 103 CB LEU A 6 17.640 12.371 -1.361 1.00 0.00 C ATOM 104 CG LEU A 6 16.904 13.537 -2.057 1.00 0.00 C ATOM 105 CD1 LEU A 6 15.663 13.922 -1.241 1.00 0.00 C ATOM 106 CD2 LEU A 6 17.820 14.762 -2.208 1.00 0.00 C ATOM 0 H LEU A 6 20.103 12.638 -1.593 1.00 0.00 H new ATOM 0 HA LEU A 6 18.186 13.851 0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 6 18.269 11.854 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.912 11.646 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 6 16.607 13.207 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 6 15.145 14.745 -1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 6 14.995 13.064 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 6 15.967 14.231 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 6 17.274 15.566 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 6 18.146 15.096 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 6 18.690 14.494 -2.807 1.00 0.00 H new ATOM 118 N ARG A 7 18.898 10.699 0.799 1.00 0.00 N ATOM 119 CA ARG A 7 18.797 9.688 1.886 1.00 0.00 C ATOM 120 C ARG A 7 19.274 10.263 3.219 1.00 0.00 C ATOM 121 O ARG A 7 18.537 10.289 4.184 1.00 0.00 O ATOM 122 CB ARG A 7 19.684 8.491 1.520 1.00 0.00 C ATOM 123 CG ARG A 7 19.041 7.729 0.359 1.00 0.00 C ATOM 124 CD ARG A 7 19.985 6.613 -0.098 1.00 0.00 C ATOM 125 NE ARG A 7 20.004 5.536 0.932 1.00 0.00 N ATOM 126 CZ ARG A 7 20.906 4.595 0.857 1.00 0.00 C ATOM 127 NH1 ARG A 7 22.073 4.795 1.406 1.00 0.00 N ATOM 128 NH2 ARG A 7 20.612 3.487 0.232 1.00 0.00 N ATOM 0 H ARG A 7 19.391 10.395 -0.040 1.00 0.00 H new ATOM 0 HA ARG A 7 17.754 9.388 1.991 1.00 0.00 H new ATOM 0 HB2 ARG A 7 20.680 8.833 1.240 1.00 0.00 H new ATOM 0 HB3 ARG A 7 19.803 7.834 2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 7 18.085 7.308 0.670 1.00 0.00 H new ATOM 0 HG3 ARG A 7 18.836 8.409 -0.468 1.00 0.00 H new ATOM 0 HD2 ARG A 7 19.655 6.211 -1.056 1.00 0.00 H new ATOM 0 HD3 ARG A 7 20.990 7.008 -0.247 1.00 0.00 H new ATOM 0 HE ARG A 7 19.319 5.534 1.688 1.00 0.00 H new ATOM 0 HH11 ARG A 7 22.268 5.675 1.884 1.00 0.00 H new ATOM 0 HH12 ARG A 7 22.790 4.071 1.358 1.00 0.00 H new ATOM 0 HH21 ARG A 7 19.690 3.367 -0.188 1.00 0.00 H new ATOM 0 HH22 ARG A 7 21.304 2.741 0.163 1.00 0.00 H new ATOM 142 N LYS A 8 20.499 10.711 3.247 1.00 0.00 N ATOM 143 CA LYS A 8 21.036 11.286 4.508 1.00 0.00 C ATOM 144 C LYS A 8 20.143 12.417 5.016 1.00 0.00 C ATOM 145 O LYS A 8 20.012 12.621 6.207 1.00 0.00 O ATOM 146 CB LYS A 8 22.434 11.848 4.226 1.00 0.00 C ATOM 147 CG LYS A 8 23.351 10.705 3.780 1.00 0.00 C ATOM 148 CD LYS A 8 24.461 10.507 4.815 1.00 0.00 C ATOM 149 CE LYS A 8 25.438 9.446 4.303 1.00 0.00 C ATOM 150 NZ LYS A 8 26.365 9.020 5.389 1.00 0.00 N ATOM 0 H LYS A 8 21.145 10.703 2.458 1.00 0.00 H new ATOM 0 HA LYS A 8 21.073 10.505 5.267 1.00 0.00 H new ATOM 0 HB2 LYS A 8 22.383 12.613 3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 8 22.835 12.325 5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 8 22.776 9.786 3.668 1.00 0.00 H new ATOM 0 HG3 LYS A 8 23.784 10.931 2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 8 24.984 11.447 4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 8 24.035 10.197 5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.885 8.584 3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 8 26.010 9.844 3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 27.020 8.300 5.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 26.906 9.842 5.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 25.816 8.620 6.177 1.00 0.00 H new ATOM 164 N PHE A 9 19.544 13.130 4.101 1.00 0.00 N ATOM 165 CA PHE A 9 18.654 14.255 4.512 1.00 0.00 C ATOM 166 C PHE A 9 17.493 13.750 5.365 1.00 0.00 C ATOM 167 O PHE A 9 17.320 14.168 6.492 1.00 0.00 O ATOM 168 CB PHE A 9 18.075 14.919 3.249 1.00 0.00 C ATOM 169 CG PHE A 9 18.312 16.432 3.307 1.00 0.00 C ATOM 170 CD1 PHE A 9 17.472 17.251 4.043 1.00 0.00 C ATOM 171 CD2 PHE A 9 19.376 16.999 2.627 1.00 0.00 C ATOM 172 CE1 PHE A 9 17.695 18.612 4.099 1.00 0.00 C ATOM 173 CE2 PHE A 9 19.597 18.360 2.684 1.00 0.00 C ATOM 174 CZ PHE A 9 18.757 19.166 3.419 1.00 0.00 C ATOM 0 H PHE A 9 19.631 12.985 3.095 1.00 0.00 H new ATOM 0 HA PHE A 9 19.241 14.965 5.095 1.00 0.00 H new ATOM 0 HB2 PHE A 9 18.545 14.501 2.359 1.00 0.00 H new ATOM 0 HB3 PHE A 9 17.008 14.711 3.174 1.00 0.00 H new ATOM 0 HD1 PHE A 9 16.637 16.822 4.577 1.00 0.00 H new ATOM 0 HD2 PHE A 9 20.038 16.372 2.048 1.00 0.00 H new ATOM 0 HE1 PHE A 9 17.036 19.243 4.677 1.00 0.00 H new ATOM 0 HE2 PHE A 9 20.430 18.794 2.151 1.00 0.00 H new ATOM 0 HZ PHE A 9 18.931 20.231 3.462 1.00 0.00 H new ATOM 184 N ARG A 10 16.716 12.860 4.809 1.00 0.00 N ATOM 185 CA ARG A 10 15.561 12.319 5.573 1.00 0.00 C ATOM 186 C ARG A 10 16.020 11.642 6.863 1.00 0.00 C ATOM 187 O ARG A 10 15.211 11.242 7.677 1.00 0.00 O ATOM 188 CB ARG A 10 14.842 11.290 4.693 1.00 0.00 C ATOM 189 CG ARG A 10 13.926 12.031 3.715 1.00 0.00 C ATOM 190 CD ARG A 10 13.230 11.017 2.804 1.00 0.00 C ATOM 191 NE ARG A 10 12.043 11.667 2.180 1.00 0.00 N ATOM 192 CZ ARG A 10 11.128 10.926 1.617 1.00 0.00 C ATOM 193 NH1 ARG A 10 11.404 9.679 1.349 1.00 0.00 N ATOM 194 NH2 ARG A 10 9.969 11.458 1.338 1.00 0.00 N ATOM 0 H ARG A 10 16.831 12.488 3.866 1.00 0.00 H new ATOM 0 HA ARG A 10 14.895 13.140 5.839 1.00 0.00 H new ATOM 0 HB2 ARG A 10 15.568 10.687 4.147 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.260 10.606 5.311 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.185 12.613 4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 10 14.506 12.735 3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.917 10.668 2.034 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.923 10.142 3.378 1.00 0.00 H new ATOM 0 HE ARG A 10 11.947 12.682 2.193 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.322 9.299 1.579 1.00 0.00 H new ATOM 0 HH12 ARG A 10 10.702 9.084 0.909 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.791 12.437 1.560 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.242 10.894 0.898 1.00 0.00 H new ATOM 208 N ASN A 11 17.309 11.525 7.025 1.00 0.00 N ATOM 209 CA ASN A 11 17.828 10.877 8.259 1.00 0.00 C ATOM 210 C ASN A 11 18.062 11.928 9.339 1.00 0.00 C ATOM 211 O ASN A 11 17.860 11.679 10.510 1.00 0.00 O ATOM 212 CB ASN A 11 19.164 10.194 7.937 1.00 0.00 C ATOM 213 CG ASN A 11 20.243 10.722 8.885 1.00 0.00 C ATOM 214 OD1 ASN A 11 20.681 11.943 8.730 1.00 0.00 O flip ATOM 215 ND2 ASN A 11 20.697 10.029 9.774 1.00 0.00 N flip ATOM 0 H ASN A 11 18.017 11.846 6.364 1.00 0.00 H new ATOM 0 HA ASN A 11 17.102 10.146 8.615 1.00 0.00 H new ATOM 0 HB2 ASN A 11 19.068 9.113 8.043 1.00 0.00 H new ATOM 0 HB3 ASN A 11 19.445 10.389 6.902 1.00 0.00 H new ATOM 0 HD21 ASN A 11 20.359 9.075 9.900 1.00 0.00 H new ATOM 0 HD22 ASN A 11 21.416 10.401 10.394 1.00 0.00 H new ATOM 222 N LYS A 12 18.489 13.085 8.916 1.00 0.00 N ATOM 223 CA LYS A 12 18.746 14.175 9.892 1.00 0.00 C ATOM 224 C LYS A 12 17.434 14.712 10.458 1.00 0.00 C ATOM 225 O LYS A 12 17.275 14.826 11.657 1.00 0.00 O ATOM 226 CB LYS A 12 19.475 15.308 9.153 1.00 0.00 C ATOM 227 CG LYS A 12 20.121 16.259 10.169 1.00 0.00 C ATOM 228 CD LYS A 12 21.647 16.095 10.125 1.00 0.00 C ATOM 229 CE LYS A 12 22.182 16.572 8.769 1.00 0.00 C ATOM 230 NZ LYS A 12 22.698 15.419 7.977 1.00 0.00 N ATOM 0 H LYS A 12 18.670 13.321 7.940 1.00 0.00 H new ATOM 0 HA LYS A 12 19.346 13.793 10.717 1.00 0.00 H new ATOM 0 HB2 LYS A 12 20.237 14.893 8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.773 15.855 8.524 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.849 17.290 9.943 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.750 16.044 11.171 1.00 0.00 H new ATOM 0 HD2 LYS A 12 22.107 16.668 10.930 1.00 0.00 H new ATOM 0 HD3 LYS A 12 21.914 15.050 10.285 1.00 0.00 H new ATOM 0 HE2 LYS A 12 21.390 17.076 8.215 1.00 0.00 H new ATOM 0 HE3 LYS A 12 22.978 17.301 8.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 23.736 15.391 8.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 22.303 14.534 8.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 22.415 15.527 6.982 1.00 0.00 H new ATOM 244 N ILE A 13 16.515 15.031 9.587 1.00 0.00 N ATOM 245 CA ILE A 13 15.217 15.558 10.063 1.00 0.00 C ATOM 246 C ILE A 13 14.559 14.555 11.006 1.00 0.00 C ATOM 247 O ILE A 13 14.068 14.911 12.059 1.00 0.00 O ATOM 248 CB ILE A 13 14.316 15.760 8.841 1.00 0.00 C ATOM 249 CG1 ILE A 13 14.650 17.081 8.150 1.00 0.00 C ATOM 250 CG2 ILE A 13 12.860 15.809 9.312 1.00 0.00 C ATOM 251 CD1 ILE A 13 14.385 16.942 6.649 1.00 0.00 C ATOM 0 H ILE A 13 16.611 14.948 8.575 1.00 0.00 H new ATOM 0 HA ILE A 13 15.368 16.496 10.597 1.00 0.00 H new ATOM 0 HB ILE A 13 14.471 14.940 8.140 1.00 0.00 H new ATOM 0 HG12 ILE A 13 14.045 17.886 8.566 1.00 0.00 H new ATOM 0 HG13 ILE A 13 15.693 17.344 8.325 1.00 0.00 H new ATOM 0 HG21 ILE A 13 12.204 15.953 8.453 1.00 0.00 H new ATOM 0 HG22 ILE A 13 12.607 14.873 9.809 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.731 16.637 10.009 1.00 0.00 H new ATOM 0 HD11 ILE A 13 14.621 17.881 6.149 1.00 0.00 H new ATOM 0 HD12 ILE A 13 15.009 16.147 6.241 1.00 0.00 H new ATOM 0 HD13 ILE A 13 13.335 16.698 6.486 1.00 0.00 H new ATOM 263 N LYS A 14 14.572 13.315 10.606 1.00 0.00 N ATOM 264 CA LYS A 14 13.957 12.259 11.450 1.00 0.00 C ATOM 265 C LYS A 14 14.350 12.414 12.919 1.00 0.00 C ATOM 266 O LYS A 14 13.579 12.097 13.802 1.00 0.00 O ATOM 267 CB LYS A 14 14.457 10.900 10.942 1.00 0.00 C ATOM 268 CG LYS A 14 14.005 9.795 11.901 1.00 0.00 C ATOM 269 CD LYS A 14 13.718 8.528 11.093 1.00 0.00 C ATOM 270 CE LYS A 14 13.676 7.326 12.037 1.00 0.00 C ATOM 271 NZ LYS A 14 13.012 6.168 11.374 1.00 0.00 N ATOM 0 H LYS A 14 14.982 12.989 9.731 1.00 0.00 H new ATOM 0 HA LYS A 14 12.872 12.339 11.383 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.068 10.709 9.942 1.00 0.00 H new ATOM 0 HB3 LYS A 14 15.544 10.907 10.865 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.778 9.601 12.645 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.112 10.107 12.443 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.768 8.625 10.567 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.488 8.383 10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.689 7.052 12.333 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.138 7.589 12.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.991 5.359 12.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.039 6.428 11.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.542 5.908 10.518 1.00 0.00 H new ATOM 285 N GLU A 15 15.542 12.894 13.160 1.00 0.00 N ATOM 286 CA GLU A 15 15.978 13.065 14.573 1.00 0.00 C ATOM 287 C GLU A 15 15.188 14.176 15.263 1.00 0.00 C ATOM 288 O GLU A 15 14.704 14.002 16.364 1.00 0.00 O ATOM 289 CB GLU A 15 17.467 13.442 14.581 1.00 0.00 C ATOM 290 CG GLU A 15 18.229 12.532 13.612 1.00 0.00 C ATOM 291 CD GLU A 15 17.867 11.074 13.901 1.00 0.00 C ATOM 292 OE1 GLU A 15 17.749 10.769 15.077 1.00 0.00 O ATOM 293 OE2 GLU A 15 17.731 10.347 12.931 1.00 0.00 O ATOM 0 H GLU A 15 16.221 13.170 12.451 1.00 0.00 H new ATOM 0 HA GLU A 15 15.804 12.132 15.109 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.591 14.485 14.290 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.873 13.341 15.587 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.976 12.785 12.582 1.00 0.00 H new ATOM 0 HG3 GLU A 15 19.303 12.681 13.723 1.00 0.00 H new ATOM 300 N LYS A 16 15.072 15.296 14.606 1.00 0.00 N ATOM 301 CA LYS A 16 14.316 16.424 15.215 1.00 0.00 C ATOM 302 C LYS A 16 12.850 16.055 15.426 1.00 0.00 C ATOM 303 O LYS A 16 12.165 16.669 16.219 1.00 0.00 O ATOM 304 CB LYS A 16 14.391 17.623 14.263 1.00 0.00 C ATOM 305 CG LYS A 16 14.025 18.898 15.028 1.00 0.00 C ATOM 306 CD LYS A 16 15.304 19.670 15.364 1.00 0.00 C ATOM 307 CE LYS A 16 14.968 20.793 16.349 1.00 0.00 C ATOM 308 NZ LYS A 16 15.935 21.918 16.209 1.00 0.00 N ATOM 0 H LYS A 16 15.464 15.478 13.682 1.00 0.00 H new ATOM 0 HA LYS A 16 14.755 16.660 16.184 1.00 0.00 H new ATOM 0 HB2 LYS A 16 15.395 17.710 13.847 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.710 17.480 13.424 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.359 19.518 14.428 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.488 18.646 15.942 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.045 18.999 15.798 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.742 20.085 14.456 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.955 21.152 16.168 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.993 20.409 17.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.692 22.671 16.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.897 21.575 16.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.891 22.295 15.241 1.00 0.00 H new ATOM 322 N LEU A 17 12.395 15.062 14.714 1.00 0.00 N ATOM 323 CA LEU A 17 10.972 14.651 14.873 1.00 0.00 C ATOM 324 C LEU A 17 10.750 13.982 16.226 1.00 0.00 C ATOM 325 O LEU A 17 9.986 14.459 17.039 1.00 0.00 O ATOM 326 CB LEU A 17 10.620 13.641 13.768 1.00 0.00 C ATOM 327 CG LEU A 17 9.877 14.351 12.632 1.00 0.00 C ATOM 328 CD1 LEU A 17 10.824 15.340 11.952 1.00 0.00 C ATOM 329 CD2 LEU A 17 9.422 13.308 11.609 1.00 0.00 C ATOM 0 H LEU A 17 12.937 14.524 14.038 1.00 0.00 H new ATOM 0 HA LEU A 17 10.343 15.539 14.806 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.528 13.176 13.385 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.001 12.843 14.177 1.00 0.00 H new ATOM 0 HG LEU A 17 9.013 14.884 13.030 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.300 15.848 11.143 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.166 16.075 12.680 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.682 14.803 11.548 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.892 13.803 10.796 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.292 12.786 11.210 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.758 12.591 12.091 1.00 0.00 H new ATOM 341 N LYS A 18 11.422 12.887 16.443 1.00 0.00 N ATOM 342 CA LYS A 18 11.256 12.177 17.738 1.00 0.00 C ATOM 343 C LYS A 18 11.545 13.105 18.917 1.00 0.00 C ATOM 344 O LYS A 18 11.284 12.763 20.054 1.00 0.00 O ATOM 345 CB LYS A 18 12.250 11.008 17.776 1.00 0.00 C ATOM 346 CG LYS A 18 11.981 10.080 16.589 1.00 0.00 C ATOM 347 CD LYS A 18 11.455 8.740 17.108 1.00 0.00 C ATOM 348 CE LYS A 18 11.106 7.844 15.918 1.00 0.00 C ATOM 349 NZ LYS A 18 9.648 7.917 15.618 1.00 0.00 N ATOM 0 H LYS A 18 12.073 12.457 15.786 1.00 0.00 H new ATOM 0 HA LYS A 18 10.227 11.826 17.819 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.273 11.383 17.735 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.149 10.459 18.712 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.254 10.533 15.915 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.896 9.928 16.016 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.206 8.258 17.734 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.575 8.898 17.731 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.679 8.152 15.043 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.387 6.814 16.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.429 7.303 14.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.107 7.601 16.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.389 8.898 15.389 1.00 0.00 H new ATOM 363 N LYS A 19 12.075 14.265 18.631 1.00 0.00 N ATOM 364 CA LYS A 19 12.380 15.212 19.736 1.00 0.00 C ATOM 365 C LYS A 19 11.125 15.932 20.226 1.00 0.00 C ATOM 366 O LYS A 19 10.886 16.014 21.415 1.00 0.00 O ATOM 367 CB LYS A 19 13.378 16.259 19.224 1.00 0.00 C ATOM 368 CG LYS A 19 14.025 16.963 20.421 1.00 0.00 C ATOM 369 CD LYS A 19 14.514 18.349 19.991 1.00 0.00 C ATOM 370 CE LYS A 19 15.163 19.049 21.189 1.00 0.00 C ATOM 371 NZ LYS A 19 16.649 18.994 21.086 1.00 0.00 N ATOM 0 H LYS A 19 12.306 14.592 17.693 1.00 0.00 H new ATOM 0 HA LYS A 19 12.794 14.643 20.568 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.142 15.782 18.611 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.869 16.986 18.591 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.306 17.055 21.235 1.00 0.00 H new ATOM 0 HG3 LYS A 19 14.859 16.371 20.798 1.00 0.00 H new ATOM 0 HD2 LYS A 19 15.232 18.258 19.176 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.680 18.942 19.616 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.834 20.087 21.233 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.839 18.573 22.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.072 19.473 21.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.959 18.002 21.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.954 19.469 20.213 1.00 0.00 H new ATOM 385 N ILE A 20 10.344 16.443 19.312 1.00 0.00 N ATOM 386 CA ILE A 20 9.114 17.153 19.745 1.00 0.00 C ATOM 387 C ILE A 20 8.068 16.156 20.238 1.00 0.00 C ATOM 388 O ILE A 20 7.301 16.454 21.132 1.00 0.00 O ATOM 389 CB ILE A 20 8.551 17.955 18.564 1.00 0.00 C ATOM 390 CG1 ILE A 20 7.855 17.021 17.568 1.00 0.00 C ATOM 391 CG2 ILE A 20 9.717 18.656 17.846 1.00 0.00 C ATOM 392 CD1 ILE A 20 6.386 16.793 17.961 1.00 0.00 C ATOM 0 H ILE A 20 10.502 16.400 18.305 1.00 0.00 H new ATOM 0 HA ILE A 20 9.362 17.828 20.564 1.00 0.00 H new ATOM 0 HB ILE A 20 7.830 18.682 18.937 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.905 17.449 16.567 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.378 16.066 17.533 1.00 0.00 H new ATOM 0 HG21 ILE A 20 9.333 19.231 17.003 1.00 0.00 H new ATOM 0 HG22 ILE A 20 10.223 19.326 18.542 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.423 17.909 17.484 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.915 16.127 17.238 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.340 16.343 18.953 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.860 17.747 17.971 1.00 0.00 H new ATOM 404 N GLY A 21 8.056 14.989 19.651 1.00 0.00 N ATOM 405 CA GLY A 21 7.062 13.966 20.082 1.00 0.00 C ATOM 406 C GLY A 21 7.253 13.644 21.563 1.00 0.00 C ATOM 407 O GLY A 21 6.391 13.064 22.194 1.00 0.00 O ATOM 0 H GLY A 21 8.684 14.703 18.900 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.051 14.334 19.909 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.178 13.060 19.486 1.00 0.00 H new ATOM 411 N GLN A 22 8.385 14.028 22.085 1.00 0.00 N ATOM 412 CA GLN A 22 8.659 13.759 23.518 1.00 0.00 C ATOM 413 C GLN A 22 8.232 14.955 24.372 1.00 0.00 C ATOM 414 O GLN A 22 8.013 14.833 25.561 1.00 0.00 O ATOM 415 CB GLN A 22 10.175 13.525 23.665 1.00 0.00 C ATOM 416 CG GLN A 22 10.615 13.723 25.121 1.00 0.00 C ATOM 417 CD GLN A 22 10.949 15.198 25.350 1.00 0.00 C ATOM 418 OE1 GLN A 22 10.179 15.939 25.929 1.00 0.00 O ATOM 419 NE2 GLN A 22 12.089 15.663 24.913 1.00 0.00 N ATOM 0 H GLN A 22 9.127 14.514 21.581 1.00 0.00 H new ATOM 0 HA GLN A 22 8.099 12.886 23.854 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.426 12.516 23.338 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.719 14.214 23.019 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.822 13.408 25.799 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.485 13.103 25.338 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.739 15.045 24.426 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.329 16.644 25.058 1.00 0.00 H new ATOM 428 N LYS A 23 8.100 16.088 23.739 1.00 0.00 N ATOM 429 CA LYS A 23 7.688 17.304 24.493 1.00 0.00 C ATOM 430 C LYS A 23 6.162 17.425 24.587 1.00 0.00 C ATOM 431 O LYS A 23 5.643 17.915 25.570 1.00 0.00 O ATOM 432 CB LYS A 23 8.240 18.530 23.746 1.00 0.00 C ATOM 433 CG LYS A 23 8.046 19.805 24.587 1.00 0.00 C ATOM 434 CD LYS A 23 9.341 20.134 25.339 1.00 0.00 C ATOM 435 CE LYS A 23 10.256 20.956 24.429 1.00 0.00 C ATOM 436 NZ LYS A 23 9.690 22.318 24.220 1.00 0.00 N ATOM 0 H LYS A 23 8.258 16.224 22.741 1.00 0.00 H new ATOM 0 HA LYS A 23 8.080 17.239 25.508 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.299 18.386 23.531 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.732 18.638 22.788 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.768 20.638 23.942 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.229 19.664 25.295 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.116 20.692 26.248 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.842 19.215 25.644 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.249 21.032 24.873 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.373 20.452 23.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.462 22.990 24.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.042 22.304 23.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.170 22.612 25.071 1.00 0.00 H new ATOM 450 N ILE A 24 5.469 16.980 23.573 1.00 0.00 N ATOM 451 CA ILE A 24 3.983 17.077 23.616 1.00 0.00 C ATOM 452 C ILE A 24 3.361 16.003 24.516 1.00 0.00 C ATOM 453 O ILE A 24 2.376 16.252 25.182 1.00 0.00 O ATOM 454 CB ILE A 24 3.440 16.908 22.193 1.00 0.00 C ATOM 455 CG1 ILE A 24 4.166 15.770 21.481 1.00 0.00 C ATOM 456 CG2 ILE A 24 3.691 18.208 21.414 1.00 0.00 C ATOM 457 CD1 ILE A 24 3.181 15.048 20.561 1.00 0.00 C ATOM 0 H ILE A 24 5.860 16.560 22.730 1.00 0.00 H new ATOM 0 HA ILE A 24 3.719 18.051 24.028 1.00 0.00 H new ATOM 0 HB ILE A 24 2.375 16.682 22.241 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.003 16.161 20.903 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.580 15.073 22.210 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.310 18.103 20.398 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.180 19.034 21.910 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.761 18.411 21.380 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.692 14.233 20.048 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.359 14.645 21.153 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.789 15.750 19.825 1.00 0.00 H new ATOM 469 N GLN A 25 3.941 14.831 24.525 1.00 0.00 N ATOM 470 CA GLN A 25 3.381 13.747 25.380 1.00 0.00 C ATOM 471 C GLN A 25 3.438 14.118 26.861 1.00 0.00 C ATOM 472 O GLN A 25 2.830 13.468 27.688 1.00 0.00 O ATOM 473 CB GLN A 25 4.218 12.480 25.163 1.00 0.00 C ATOM 474 CG GLN A 25 5.615 12.696 25.744 1.00 0.00 C ATOM 475 CD GLN A 25 5.646 12.201 27.191 1.00 0.00 C ATOM 476 OE1 GLN A 25 5.422 12.951 28.121 1.00 0.00 O ATOM 477 NE2 GLN A 25 5.919 10.947 27.425 1.00 0.00 N ATOM 0 H GLN A 25 4.768 14.581 23.984 1.00 0.00 H new ATOM 0 HA GLN A 25 2.338 13.590 25.104 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.739 11.627 25.643 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.285 12.251 24.099 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.355 12.161 25.149 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.878 13.753 25.704 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.108 10.313 26.649 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.944 10.601 28.384 1.00 0.00 H new ATOM 486 N GLY A 26 4.164 15.157 27.169 1.00 0.00 N ATOM 487 CA GLY A 26 4.264 15.577 28.597 1.00 0.00 C ATOM 488 C GLY A 26 3.125 16.532 28.958 1.00 0.00 C ATOM 489 O GLY A 26 2.627 16.517 30.066 1.00 0.00 O ATOM 0 H GLY A 26 4.686 15.728 26.504 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.229 14.700 29.243 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.223 16.064 28.772 1.00 0.00 H new ATOM 493 N LEU A 27 2.740 17.345 28.015 1.00 0.00 N ATOM 494 CA LEU A 27 1.638 18.308 28.282 1.00 0.00 C ATOM 495 C LEU A 27 0.267 17.658 28.074 1.00 0.00 C ATOM 496 O LEU A 27 -0.649 17.887 28.839 1.00 0.00 O ATOM 497 CB LEU A 27 1.797 19.485 27.305 1.00 0.00 C ATOM 498 CG LEU A 27 0.655 20.494 27.494 1.00 0.00 C ATOM 499 CD1 LEU A 27 0.611 20.953 28.953 1.00 0.00 C ATOM 500 CD2 LEU A 27 0.912 21.708 26.598 1.00 0.00 C ATOM 0 H LEU A 27 3.138 17.384 27.077 1.00 0.00 H new ATOM 0 HA LEU A 27 1.694 18.642 29.318 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.756 19.976 27.470 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.800 19.117 26.279 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.293 20.026 27.231 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.200 21.669 29.085 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.444 20.092 29.600 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.558 21.425 29.215 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.106 22.431 26.725 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.860 22.169 26.874 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.953 21.389 25.556 1.00 0.00 H new ATOM 512 N LEU A 28 0.151 16.859 27.046 1.00 0.00 N ATOM 513 CA LEU A 28 -1.152 16.191 26.778 1.00 0.00 C ATOM 514 C LEU A 28 -1.842 15.687 28.062 1.00 0.00 C ATOM 515 O LEU A 28 -2.968 16.058 28.323 1.00 0.00 O ATOM 516 CB LEU A 28 -0.923 15.010 25.816 1.00 0.00 C ATOM 517 CG LEU A 28 -1.477 15.354 24.425 1.00 0.00 C ATOM 518 CD1 LEU A 28 -0.586 16.414 23.772 1.00 0.00 C ATOM 519 CD2 LEU A 28 -1.464 14.093 23.559 1.00 0.00 C ATOM 0 H LEU A 28 0.898 16.642 26.386 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.815 16.932 26.332 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.142 14.786 25.748 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.413 14.116 26.201 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.494 15.735 24.518 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.977 16.660 22.785 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.574 17.311 24.391 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.428 16.027 23.674 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.856 14.327 22.569 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.442 13.725 23.467 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.085 13.327 24.023 1.00 0.00 H new ATOM 531 N PRO A 29 -1.181 14.854 28.853 1.00 0.00 N ATOM 532 CA PRO A 29 -1.801 14.344 30.090 1.00 0.00 C ATOM 533 C PRO A 29 -2.410 15.462 30.939 1.00 0.00 C ATOM 534 O PRO A 29 -3.402 15.258 31.610 1.00 0.00 O ATOM 535 CB PRO A 29 -0.653 13.659 30.849 1.00 0.00 C ATOM 536 CG PRO A 29 0.562 13.587 29.892 1.00 0.00 C ATOM 537 CD PRO A 29 0.197 14.357 28.613 1.00 0.00 C ATOM 0 HA PRO A 29 -2.626 13.668 29.865 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.400 14.220 31.748 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.948 12.660 31.169 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.444 14.022 30.361 1.00 0.00 H new ATOM 0 HG3 PRO A 29 0.804 12.550 29.658 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.889 15.180 28.435 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.238 13.711 27.736 1.00 0.00 H new ATOM 545 N LYS A 30 -1.810 16.618 30.900 1.00 0.00 N ATOM 546 CA LYS A 30 -2.358 17.743 31.704 1.00 0.00 C ATOM 547 C LYS A 30 -3.489 18.443 30.952 1.00 0.00 C ATOM 548 O LYS A 30 -4.546 18.685 31.500 1.00 0.00 O ATOM 549 CB LYS A 30 -1.234 18.756 31.963 1.00 0.00 C ATOM 550 CG LYS A 30 -0.589 18.464 33.321 1.00 0.00 C ATOM 551 CD LYS A 30 0.478 19.525 33.607 1.00 0.00 C ATOM 552 CE LYS A 30 1.594 18.906 34.453 1.00 0.00 C ATOM 553 NZ LYS A 30 2.610 18.254 33.581 1.00 0.00 N ATOM 0 H LYS A 30 -0.975 16.831 30.354 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.749 17.350 32.642 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.486 18.696 31.172 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.633 19.770 31.948 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.345 18.470 34.106 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.140 17.471 33.319 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.885 19.909 32.672 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.034 20.371 34.132 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.068 19.677 35.060 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.173 18.173 35.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.359 17.840 34.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.157 17.505 33.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.025 18.962 32.942 1.00 0.00 H new ATOM 567 N LEU A 31 -3.245 18.758 29.707 1.00 0.00 N ATOM 568 CA LEU A 31 -4.293 19.441 28.903 1.00 0.00 C ATOM 569 C LEU A 31 -5.354 18.446 28.438 1.00 0.00 C ATOM 570 O LEU A 31 -6.525 18.607 28.718 1.00 0.00 O ATOM 571 CB LEU A 31 -3.620 20.059 27.668 1.00 0.00 C ATOM 572 CG LEU A 31 -4.106 21.499 27.477 1.00 0.00 C ATOM 573 CD1 LEU A 31 -3.350 22.420 28.439 1.00 0.00 C ATOM 574 CD2 LEU A 31 -3.819 21.936 26.038 1.00 0.00 C ATOM 0 H LEU A 31 -2.370 18.572 29.217 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.775 20.204 29.514 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.537 20.044 27.787 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.851 19.467 26.782 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.176 21.556 27.677 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.693 23.446 28.306 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.536 22.105 29.466 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.281 22.365 28.231 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.162 22.960 25.894 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.747 21.882 25.848 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.343 21.277 25.346 1.00 0.00 H new ATOM 586 N ALA A 32 -4.923 17.435 27.735 1.00 0.00 N ATOM 587 CA ALA A 32 -5.894 16.421 27.245 1.00 0.00 C ATOM 588 C ALA A 32 -5.244 15.042 27.164 1.00 0.00 C ATOM 589 O ALA A 32 -4.721 14.751 26.101 1.00 0.00 O ATOM 590 CB ALA A 32 -6.357 16.830 25.841 1.00 0.00 C ATOM 591 OXT ALA A 32 -5.306 14.354 28.170 1.00 0.00 O ATOM 0 H ALA A 32 -3.949 17.269 27.481 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.735 16.372 27.937 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.071 16.097 25.465 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.833 17.810 25.886 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.497 16.875 25.173 1.00 0.00 H new TER 597 ALA A 32 END