USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 GLN : amide:sc= -2.03! C(o=-3!,f=-4.9!) USER MOD Set 1.2: A 67 GLN : amide:sc= -0.922! C(o=-3!,f=-16!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.272 (180deg=-1.23) USER MOD Single : A 2 LYS NZ :NH3+ -161:sc= -0.0497 (180deg=-0.501) USER MOD Single : A 5 LYS NZ :NH3+ -112:sc= -1.44 (180deg=-4!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0817 USER MOD Single : A 11 SER OG : rot -68:sc= 1.04 USER MOD Single : A 15 THR OG1 : rot 46:sc= 0.333 USER MOD Single : A 16 THR OG1 : rot -101:sc= 1.26 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 83:sc= 0.928 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.691 USER MOD Single : A 37 SER OG : rot -46:sc= 0.189 USER MOD Single : A 40 THR OG1 : rot 121:sc= 0.0205 USER MOD Single : A 42 TYR OH : rot 180:sc= -0.366 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 161:sc= -0.0431 (180deg=-0.487) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.0128 K(o=-0.013,f=-1.1) USER MOD Single : A 80 LYS NZ :NH3+ -160:sc= -0.0617 (180deg=-0.561) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.522 3.784 -6.435 1.00 0.00 N ATOM 2 CA MET A 1 -1.587 4.402 -7.274 1.00 0.00 C ATOM 3 C MET A 1 -2.800 4.713 -6.404 1.00 0.00 C ATOM 4 O MET A 1 -3.630 5.551 -6.755 1.00 0.00 O ATOM 5 CB MET A 1 -1.976 3.432 -8.393 1.00 0.00 C ATOM 6 CG MET A 1 -0.751 3.143 -9.261 1.00 0.00 C ATOM 7 SD MET A 1 -1.186 1.940 -10.543 1.00 0.00 S ATOM 8 CE MET A 1 0.473 1.742 -11.237 1.00 0.00 C ATOM 0 H1 MET A 1 0.399 3.895 -6.906 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.495 4.253 -5.507 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.725 2.772 -6.306 1.00 0.00 H new ATOM 0 HA MET A 1 -1.220 5.328 -7.716 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.362 2.505 -7.968 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.773 3.861 -9.000 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.392 4.064 -9.719 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.061 2.756 -8.645 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.440 1.028 -12.060 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.831 2.704 -11.604 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.149 1.374 -10.465 1.00 0.00 H new ATOM 20 N LYS A 2 -2.894 4.034 -5.265 1.00 0.00 N ATOM 21 CA LYS A 2 -4.006 4.248 -4.347 1.00 0.00 C ATOM 22 C LYS A 2 -3.999 5.684 -3.829 1.00 0.00 C ATOM 23 O LYS A 2 -5.050 6.306 -3.676 1.00 0.00 O ATOM 24 CB LYS A 2 -3.912 3.271 -3.173 1.00 0.00 C ATOM 25 CG LYS A 2 -4.196 1.851 -3.666 1.00 0.00 C ATOM 26 CD LYS A 2 -4.116 0.876 -2.490 1.00 0.00 C ATOM 27 CE LYS A 2 -4.361 -0.548 -2.989 1.00 0.00 C ATOM 28 NZ LYS A 2 -5.735 -0.645 -3.562 1.00 0.00 N ATOM 0 H LYS A 2 -2.218 3.335 -4.957 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.939 4.073 -4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.920 3.320 -2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.626 3.548 -2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.184 1.805 -4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.475 1.571 -4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.137 0.943 -2.015 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.856 1.140 -1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.621 -0.812 -3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.247 -1.257 -2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -6.024 -1.643 -3.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -6.400 -0.116 -2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.740 -0.243 -4.521 1.00 0.00 H new ATOM 42 N ASP A 3 -2.803 6.205 -3.565 1.00 0.00 N ATOM 43 CA ASP A 3 -2.662 7.570 -3.068 1.00 0.00 C ATOM 44 C ASP A 3 -3.534 7.808 -1.835 1.00 0.00 C ATOM 45 O ASP A 3 -4.396 8.686 -1.828 1.00 0.00 O ATOM 46 CB ASP A 3 -3.027 8.558 -4.178 1.00 0.00 C ATOM 47 CG ASP A 3 -2.043 8.392 -5.332 1.00 0.00 C ATOM 48 OD1 ASP A 3 -1.022 7.765 -5.111 1.00 0.00 O ATOM 49 OD2 ASP A 3 -2.322 8.884 -6.413 1.00 0.00 O ATOM 0 H ASP A 3 -1.922 5.705 -3.686 1.00 0.00 H new ATOM 0 HA ASP A 3 -1.625 7.723 -2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -4.045 8.378 -4.522 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.994 9.579 -3.799 1.00 0.00 H new ATOM 54 N PRO A 4 -3.309 7.043 -0.794 1.00 0.00 N ATOM 55 CA PRO A 4 -4.069 7.161 0.491 1.00 0.00 C ATOM 56 C PRO A 4 -3.599 8.372 1.305 1.00 0.00 C ATOM 57 O PRO A 4 -3.038 8.227 2.392 1.00 0.00 O ATOM 58 CB PRO A 4 -3.744 5.837 1.197 1.00 0.00 C ATOM 59 CG PRO A 4 -2.376 5.478 0.719 1.00 0.00 C ATOM 60 CD PRO A 4 -2.294 5.972 -0.727 1.00 0.00 C ATOM 0 HA PRO A 4 -5.139 7.319 0.353 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.768 5.950 2.281 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.468 5.064 0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -1.611 5.948 1.336 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -2.213 4.402 0.774 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.299 6.349 -0.965 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.510 5.172 -1.435 1.00 0.00 H new ATOM 68 N LYS A 5 -3.844 9.564 0.766 1.00 0.00 N ATOM 69 CA LYS A 5 -3.463 10.812 1.432 1.00 0.00 C ATOM 70 C LYS A 5 -4.422 11.195 2.569 1.00 0.00 C ATOM 71 O LYS A 5 -4.015 11.455 3.701 1.00 0.00 O ATOM 72 CB LYS A 5 -3.465 11.942 0.400 1.00 0.00 C ATOM 73 CG LYS A 5 -2.352 11.710 -0.625 1.00 0.00 C ATOM 74 CD LYS A 5 -2.213 12.944 -1.524 1.00 0.00 C ATOM 75 CE LYS A 5 -3.451 13.098 -2.418 1.00 0.00 C ATOM 76 NZ LYS A 5 -4.528 13.794 -1.657 1.00 0.00 N ATOM 0 H LYS A 5 -4.306 9.694 -0.134 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.475 10.660 1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.431 11.986 -0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.320 12.901 0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.410 11.512 -0.114 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.578 10.831 -1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.087 13.836 -0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.320 12.853 -2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.198 13.666 -3.313 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.798 12.119 -2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.311 13.133 -1.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.149 14.133 -0.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.877 14.603 -2.210 1.00 0.00 H new ATOM 90 N THR A 6 -5.709 11.158 2.232 1.00 0.00 N ATOM 91 CA THR A 6 -6.803 11.427 3.172 1.00 0.00 C ATOM 92 C THR A 6 -7.071 10.191 4.035 1.00 0.00 C ATOM 93 O THR A 6 -7.485 10.273 5.191 1.00 0.00 O ATOM 94 CB THR A 6 -8.075 11.806 2.409 1.00 0.00 C ATOM 95 OG1 THR A 6 -8.451 10.731 1.559 1.00 0.00 O ATOM 96 CG2 THR A 6 -7.817 13.057 1.567 1.00 0.00 C ATOM 0 H THR A 6 -6.029 10.938 1.289 1.00 0.00 H new ATOM 0 HA THR A 6 -6.512 12.258 3.815 1.00 0.00 H new ATOM 0 HB THR A 6 -8.877 12.009 3.119 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.266 10.970 1.070 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.724 13.324 1.025 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.528 13.881 2.219 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.015 12.858 0.856 1.00 0.00 H new ATOM 104 N LEU A 7 -6.774 9.063 3.428 1.00 0.00 N ATOM 105 CA LEU A 7 -6.916 7.774 4.100 1.00 0.00 C ATOM 106 C LEU A 7 -5.973 7.715 5.319 1.00 0.00 C ATOM 107 O LEU A 7 -6.377 7.326 6.411 1.00 0.00 O ATOM 108 CB LEU A 7 -6.603 6.637 3.124 1.00 0.00 C ATOM 109 CG LEU A 7 -7.812 6.359 2.211 1.00 0.00 C ATOM 110 CD1 LEU A 7 -8.969 5.723 3.008 1.00 0.00 C ATOM 111 CD2 LEU A 7 -8.279 7.674 1.573 1.00 0.00 C ATOM 0 H LEU A 7 -6.432 9.004 2.469 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.943 7.660 4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.735 6.899 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.344 5.735 3.679 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.510 5.658 1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.811 5.536 2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.636 4.781 3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.279 6.401 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.135 7.481 0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.567 8.376 2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.468 8.101 0.983 1.00 0.00 H new ATOM 123 N LEU A 8 -4.730 8.150 5.112 1.00 0.00 N ATOM 124 CA LEU A 8 -3.678 8.230 6.144 1.00 0.00 C ATOM 125 C LEU A 8 -3.860 9.437 7.078 1.00 0.00 C ATOM 126 O LEU A 8 -3.358 9.477 8.200 1.00 0.00 O ATOM 127 CB LEU A 8 -2.303 8.347 5.475 1.00 0.00 C ATOM 128 CG LEU A 8 -1.923 7.022 4.800 1.00 0.00 C ATOM 129 CD1 LEU A 8 -0.677 7.243 3.933 1.00 0.00 C ATOM 130 CD2 LEU A 8 -1.632 5.933 5.859 1.00 0.00 C ATOM 0 H LEU A 8 -4.411 8.468 4.197 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.752 7.320 6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.318 9.148 4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.551 8.613 6.218 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.756 6.687 4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.400 6.306 3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.891 7.994 3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.146 7.585 4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.365 5.002 5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.806 6.254 6.494 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.520 5.774 6.471 1.00 0.00 H new ATOM 142 N ARG A 9 -4.594 10.405 6.551 1.00 0.00 N ATOM 143 CA ARG A 9 -4.891 11.653 7.263 1.00 0.00 C ATOM 144 C ARG A 9 -5.778 11.424 8.489 1.00 0.00 C ATOM 145 O ARG A 9 -5.644 12.115 9.499 1.00 0.00 O ATOM 146 CB ARG A 9 -5.579 12.641 6.332 1.00 0.00 C ATOM 147 CG ARG A 9 -5.718 13.992 7.032 1.00 0.00 C ATOM 148 CD ARG A 9 -6.230 15.031 6.033 1.00 0.00 C ATOM 149 NE ARG A 9 -5.243 15.236 4.979 1.00 0.00 N ATOM 150 CZ ARG A 9 -5.505 16.000 3.924 1.00 0.00 C ATOM 151 NH1 ARG A 9 -6.670 16.577 3.810 1.00 0.00 N ATOM 152 NH2 ARG A 9 -4.597 16.175 3.003 1.00 0.00 N ATOM 0 H ARG A 9 -5.004 10.354 5.618 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.937 12.057 7.603 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.002 12.753 5.414 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.562 12.265 6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.407 13.909 7.873 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.756 14.305 7.438 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.173 14.698 5.600 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.429 15.973 6.545 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.332 14.783 5.053 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.379 16.441 4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.872 17.164 3.000 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.686 15.725 3.093 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.798 16.762 2.193 1.00 0.00 H new ATOM 166 N VAL A 10 -6.678 10.451 8.395 1.00 0.00 N ATOM 167 CA VAL A 10 -7.585 10.129 9.497 1.00 0.00 C ATOM 168 C VAL A 10 -6.838 9.589 10.715 1.00 0.00 C ATOM 169 O VAL A 10 -7.269 9.831 11.843 1.00 0.00 O ATOM 170 CB VAL A 10 -8.642 9.111 9.036 1.00 0.00 C ATOM 171 CG1 VAL A 10 -8.019 7.707 8.940 1.00 0.00 C ATOM 172 CG2 VAL A 10 -9.808 9.089 10.033 1.00 0.00 C ATOM 0 H VAL A 10 -6.801 9.869 7.566 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.076 11.055 9.795 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.010 9.404 8.053 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.776 6.995 8.613 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.199 7.721 8.222 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.639 7.410 9.918 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.555 8.367 9.703 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.439 8.805 11.018 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.260 10.080 10.086 1.00 0.00 H new ATOM 182 N SER A 11 -5.727 8.887 10.532 1.00 0.00 N ATOM 183 CA SER A 11 -4.999 8.391 11.694 1.00 0.00 C ATOM 184 C SER A 11 -4.447 9.555 12.513 1.00 0.00 C ATOM 185 O SER A 11 -4.664 9.608 13.693 1.00 0.00 O ATOM 186 CB SER A 11 -3.855 7.480 11.249 1.00 0.00 C ATOM 187 OG SER A 11 -2.958 8.218 10.429 1.00 0.00 O ATOM 0 H SER A 11 -5.321 8.654 9.626 1.00 0.00 H new ATOM 0 HA SER A 11 -5.688 7.819 12.316 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.330 7.085 12.119 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.249 6.625 10.699 1.00 0.00 H new ATOM 0 HG SER A 11 -3.399 8.444 9.583 1.00 0.00 H new ATOM 193 N ILE A 12 -3.734 10.466 11.889 1.00 0.00 N ATOM 194 CA ILE A 12 -3.146 11.591 12.642 1.00 0.00 C ATOM 195 C ILE A 12 -4.236 12.341 13.431 1.00 0.00 C ATOM 196 O ILE A 12 -4.112 12.639 14.617 1.00 0.00 O ATOM 197 CB ILE A 12 -2.482 12.558 11.654 1.00 0.00 C ATOM 198 CG1 ILE A 12 -1.262 11.877 11.028 1.00 0.00 C ATOM 199 CG2 ILE A 12 -2.030 13.823 12.390 1.00 0.00 C ATOM 200 CD1 ILE A 12 -0.755 12.712 9.850 1.00 0.00 C ATOM 0 H ILE A 12 -3.541 10.467 10.887 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.409 11.202 13.345 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.197 12.829 10.877 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.474 11.764 11.773 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.526 10.875 10.689 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.559 14.506 11.683 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.894 14.309 12.843 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.315 13.555 13.168 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.113 12.225 9.406 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.543 12.802 9.102 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.474 13.705 10.202 1.00 0.00 H new ATOM 212 N ILE A 13 -5.291 12.597 12.714 1.00 0.00 N ATOM 213 CA ILE A 13 -6.456 13.287 13.279 1.00 0.00 C ATOM 214 C ILE A 13 -7.060 12.505 14.485 1.00 0.00 C ATOM 215 O ILE A 13 -7.320 13.091 15.536 1.00 0.00 O ATOM 216 CB ILE A 13 -7.531 13.514 12.205 1.00 0.00 C ATOM 217 CG1 ILE A 13 -7.025 14.543 11.190 1.00 0.00 C ATOM 218 CG2 ILE A 13 -8.816 14.038 12.859 1.00 0.00 C ATOM 219 CD1 ILE A 13 -7.973 14.587 9.991 1.00 0.00 C ATOM 0 H ILE A 13 -5.387 12.344 11.730 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.112 14.255 13.644 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.741 12.571 11.701 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.963 15.527 11.654 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.019 14.281 10.862 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.575 14.197 12.093 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -9.179 13.309 13.584 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.608 14.981 13.366 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.613 15.320 9.269 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.012 13.604 9.522 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.971 14.869 10.326 1.00 0.00 H new ATOM 231 N GLY A 14 -7.210 11.190 14.343 1.00 0.00 N ATOM 232 CA GLY A 14 -7.706 10.340 15.459 1.00 0.00 C ATOM 233 C GLY A 14 -6.564 9.882 16.411 1.00 0.00 C ATOM 234 O GLY A 14 -6.760 9.630 17.601 1.00 0.00 O ATOM 0 H GLY A 14 -7.002 10.681 13.484 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.451 10.894 16.030 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.207 9.463 15.049 1.00 0.00 H new ATOM 238 N THR A 15 -5.395 9.787 15.812 1.00 0.00 N ATOM 239 CA THR A 15 -4.151 9.361 16.496 1.00 0.00 C ATOM 240 C THR A 15 -3.568 10.454 17.391 1.00 0.00 C ATOM 241 O THR A 15 -2.911 10.154 18.389 1.00 0.00 O ATOM 242 CB THR A 15 -3.070 8.865 15.529 1.00 0.00 C ATOM 243 OG1 THR A 15 -3.594 7.817 14.725 1.00 0.00 O ATOM 244 CG2 THR A 15 -1.875 8.330 16.325 1.00 0.00 C ATOM 0 H THR A 15 -5.261 10.002 14.824 1.00 0.00 H new ATOM 0 HA THR A 15 -4.457 8.522 17.122 1.00 0.00 H new ATOM 0 HB THR A 15 -2.751 9.692 14.895 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.480 8.071 14.393 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.107 7.978 15.636 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.466 9.126 16.947 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.200 7.505 16.959 1.00 0.00 H new ATOM 252 N THR A 16 -3.824 11.712 17.057 1.00 0.00 N ATOM 253 CA THR A 16 -3.342 12.836 17.859 1.00 0.00 C ATOM 254 C THR A 16 -4.174 13.016 19.124 1.00 0.00 C ATOM 255 O THR A 16 -3.691 13.526 20.134 1.00 0.00 O ATOM 256 CB THR A 16 -3.350 14.129 17.035 1.00 0.00 C ATOM 257 OG1 THR A 16 -4.624 14.294 16.429 1.00 0.00 O ATOM 258 CG2 THR A 16 -2.255 14.083 15.955 1.00 0.00 C ATOM 0 H THR A 16 -4.364 11.983 16.235 1.00 0.00 H new ATOM 0 HA THR A 16 -2.318 12.612 18.157 1.00 0.00 H new ATOM 0 HB THR A 16 -3.149 14.973 17.694 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.578 14.017 15.490 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.273 15.008 15.378 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.280 13.971 16.430 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.435 13.238 15.291 1.00 0.00 H new ATOM 266 N LEU A 17 -5.441 12.628 19.040 1.00 0.00 N ATOM 267 CA LEU A 17 -6.406 12.760 20.128 1.00 0.00 C ATOM 268 C LEU A 17 -6.190 11.797 21.297 1.00 0.00 C ATOM 269 O LEU A 17 -6.631 12.096 22.407 1.00 0.00 O ATOM 270 CB LEU A 17 -7.825 12.568 19.567 1.00 0.00 C ATOM 271 CG LEU A 17 -8.876 13.200 20.507 1.00 0.00 C ATOM 272 CD1 LEU A 17 -9.012 14.711 20.225 1.00 0.00 C ATOM 273 CD2 LEU A 17 -10.235 12.516 20.293 1.00 0.00 C ATOM 0 H LEU A 17 -5.835 12.205 18.199 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.263 13.760 20.537 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.895 13.022 18.578 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.032 11.505 19.445 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.552 13.061 21.538 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.756 15.141 20.896 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.051 15.199 20.388 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.325 14.862 19.192 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.976 12.963 20.957 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.549 12.647 19.258 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.146 11.452 20.513 1.00 0.00 H new ATOM 285 N VAL A 18 -5.571 10.638 21.096 1.00 0.00 N ATOM 286 CA VAL A 18 -5.433 9.726 22.228 1.00 0.00 C ATOM 287 C VAL A 18 -4.648 10.402 23.353 1.00 0.00 C ATOM 288 O VAL A 18 -5.081 10.457 24.504 1.00 0.00 O ATOM 289 CB VAL A 18 -4.726 8.436 21.787 1.00 0.00 C ATOM 290 CG1 VAL A 18 -5.576 7.729 20.725 1.00 0.00 C ATOM 291 CG2 VAL A 18 -3.341 8.763 21.203 1.00 0.00 C ATOM 0 H VAL A 18 -5.176 10.318 20.212 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.426 9.470 22.597 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.600 7.785 22.652 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.077 6.813 20.410 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.552 7.485 21.144 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.704 8.386 19.865 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.849 7.841 20.894 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.456 9.420 20.341 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.735 9.261 21.960 1.00 0.00 H new ATOM 301 N ALA A 19 -3.466 10.886 22.980 1.00 0.00 N ATOM 302 CA ALA A 19 -2.542 11.540 23.903 1.00 0.00 C ATOM 303 C ALA A 19 -3.165 12.755 24.582 1.00 0.00 C ATOM 304 O ALA A 19 -2.849 13.060 25.732 1.00 0.00 O ATOM 305 CB ALA A 19 -1.290 11.980 23.144 1.00 0.00 C ATOM 0 H ALA A 19 -3.120 10.835 22.022 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.290 10.817 24.679 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.600 12.468 23.832 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.807 11.108 22.703 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.569 12.678 22.355 1.00 0.00 H new ATOM 311 N LEU A 20 -4.054 13.443 23.878 1.00 0.00 N ATOM 312 CA LEU A 20 -4.700 14.613 24.463 1.00 0.00 C ATOM 313 C LEU A 20 -5.638 14.183 25.590 1.00 0.00 C ATOM 314 O LEU A 20 -5.643 14.793 26.659 1.00 0.00 O ATOM 315 CB LEU A 20 -5.473 15.401 23.403 1.00 0.00 C ATOM 316 CG LEU A 20 -4.512 15.914 22.319 1.00 0.00 C ATOM 317 CD1 LEU A 20 -5.312 16.641 21.230 1.00 0.00 C ATOM 318 CD2 LEU A 20 -3.477 16.875 22.935 1.00 0.00 C ATOM 0 H LEU A 20 -4.340 13.220 22.925 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.926 15.264 24.870 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.236 14.767 22.952 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.990 16.240 23.868 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.985 15.067 21.880 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.631 17.005 20.461 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.029 15.952 20.784 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.845 17.483 21.671 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.802 17.231 22.156 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.992 17.724 23.385 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.904 16.351 23.700 1.00 0.00 H new ATOM 330 N SER A 21 -6.425 13.135 25.361 1.00 0.00 N ATOM 331 CA SER A 21 -7.350 12.648 26.383 1.00 0.00 C ATOM 332 C SER A 21 -6.638 11.812 27.446 1.00 0.00 C ATOM 333 O SER A 21 -7.113 11.681 28.562 1.00 0.00 O ATOM 334 CB SER A 21 -8.443 11.806 25.725 1.00 0.00 C ATOM 335 OG SER A 21 -9.221 12.633 24.871 1.00 0.00 O ATOM 0 H SER A 21 -6.442 12.610 24.486 1.00 0.00 H new ATOM 0 HA SER A 21 -7.786 13.517 26.876 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.997 10.992 25.154 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.077 11.352 26.487 1.00 0.00 H new ATOM 0 HG SER A 21 -9.922 12.096 24.446 1.00 0.00 H new ATOM 341 N SER A 22 -5.524 11.210 27.044 1.00 0.00 N ATOM 342 CA SER A 22 -4.750 10.331 27.938 1.00 0.00 C ATOM 343 C SER A 22 -3.770 11.093 28.843 1.00 0.00 C ATOM 344 O SER A 22 -3.308 10.551 29.847 1.00 0.00 O ATOM 345 CB SER A 22 -3.978 9.303 27.113 1.00 0.00 C ATOM 346 OG SER A 22 -4.898 8.482 26.405 1.00 0.00 O ATOM 0 H SER A 22 -5.130 11.309 26.108 1.00 0.00 H new ATOM 0 HA SER A 22 -5.473 9.840 28.590 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.311 9.808 26.414 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.354 8.691 27.765 1.00 0.00 H new ATOM 0 HG SER A 22 -5.177 8.937 25.583 1.00 0.00 H new ATOM 352 N PHE A 23 -3.472 12.348 28.512 1.00 0.00 N ATOM 353 CA PHE A 23 -2.554 13.115 29.380 1.00 0.00 C ATOM 354 C PHE A 23 -3.295 13.724 30.603 1.00 0.00 C ATOM 355 O PHE A 23 -2.733 13.722 31.699 1.00 0.00 O ATOM 356 CB PHE A 23 -1.839 14.216 28.571 1.00 0.00 C ATOM 357 CG PHE A 23 -0.508 13.720 28.030 1.00 0.00 C ATOM 358 CD1 PHE A 23 -0.377 12.411 27.550 1.00 0.00 C ATOM 359 CD2 PHE A 23 0.588 14.591 27.995 1.00 0.00 C ATOM 360 CE1 PHE A 23 0.849 11.972 27.036 1.00 0.00 C ATOM 361 CE2 PHE A 23 1.815 14.152 27.481 1.00 0.00 C ATOM 362 CZ PHE A 23 1.945 12.843 27.001 1.00 0.00 C ATOM 0 H PHE A 23 -3.827 12.844 27.694 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.805 12.422 29.764 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.474 14.536 27.745 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.676 15.089 29.204 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.222 11.740 27.576 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.487 15.601 28.364 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.949 10.962 26.667 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.661 14.823 27.455 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.891 12.505 26.604 1.00 0.00 H new ATOM 372 N THR A 24 -4.494 14.297 30.446 1.00 0.00 N ATOM 373 CA THR A 24 -5.177 14.947 31.591 1.00 0.00 C ATOM 374 C THR A 24 -5.683 13.996 32.696 1.00 0.00 C ATOM 375 O THR A 24 -5.680 14.360 33.873 1.00 0.00 O ATOM 376 CB THR A 24 -6.353 15.803 31.086 1.00 0.00 C ATOM 377 OG1 THR A 24 -7.536 15.020 31.042 1.00 0.00 O ATOM 378 CG2 THR A 24 -6.042 16.331 29.682 1.00 0.00 C ATOM 0 H THR A 24 -5.008 14.329 29.565 1.00 0.00 H new ATOM 0 HA THR A 24 -4.405 15.557 32.061 1.00 0.00 H new ATOM 0 HB THR A 24 -6.500 16.641 31.767 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.281 15.570 30.722 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.876 16.936 29.328 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.139 16.941 29.714 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.889 15.492 29.003 1.00 0.00 H new ATOM 386 N PRO A 25 -6.178 12.841 32.348 1.00 0.00 N ATOM 387 CA PRO A 25 -6.778 11.863 33.318 1.00 0.00 C ATOM 388 C PRO A 25 -5.944 11.579 34.567 1.00 0.00 C ATOM 389 O PRO A 25 -6.500 11.166 35.585 1.00 0.00 O ATOM 390 CB PRO A 25 -6.945 10.590 32.485 1.00 0.00 C ATOM 391 CG PRO A 25 -7.125 11.084 31.096 1.00 0.00 C ATOM 392 CD PRO A 25 -6.221 12.315 30.980 1.00 0.00 C ATOM 0 HA PRO A 25 -7.702 12.268 33.730 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.072 9.943 32.567 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.805 10.008 32.815 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.845 10.322 30.369 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.166 11.342 30.903 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.227 12.050 30.621 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.627 13.047 30.282 1.00 0.00 H new ATOM 400 N VAL A 26 -4.635 11.789 34.524 1.00 0.00 N ATOM 401 CA VAL A 26 -3.821 11.527 35.703 1.00 0.00 C ATOM 402 C VAL A 26 -4.240 12.433 36.863 1.00 0.00 C ATOM 403 O VAL A 26 -4.362 11.978 38.001 1.00 0.00 O ATOM 404 CB VAL A 26 -2.343 11.754 35.366 1.00 0.00 C ATOM 405 CG1 VAL A 26 -1.495 11.688 36.640 1.00 0.00 C ATOM 406 CG2 VAL A 26 -1.878 10.672 34.388 1.00 0.00 C ATOM 0 H VAL A 26 -4.125 12.131 33.709 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.969 10.491 36.009 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.226 12.739 34.913 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.447 11.851 36.388 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.825 12.459 37.337 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.609 10.708 37.103 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.827 10.829 34.145 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.002 9.690 34.845 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.473 10.725 33.476 1.00 0.00 H new ATOM 416 N LEU A 27 -4.411 13.722 36.580 1.00 0.00 N ATOM 417 CA LEU A 27 -4.757 14.708 37.604 1.00 0.00 C ATOM 418 C LEU A 27 -5.948 14.276 38.460 1.00 0.00 C ATOM 419 O LEU A 27 -6.069 14.678 39.618 1.00 0.00 O ATOM 420 CB LEU A 27 -5.124 16.026 36.908 1.00 0.00 C ATOM 421 CG LEU A 27 -5.230 17.172 37.931 1.00 0.00 C ATOM 422 CD1 LEU A 27 -3.838 17.568 38.453 1.00 0.00 C ATOM 423 CD2 LEU A 27 -5.891 18.379 37.257 1.00 0.00 C ATOM 0 H LEU A 27 -4.315 14.112 35.642 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.893 14.816 38.260 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.370 16.269 36.159 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.072 15.913 36.382 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.830 16.839 38.778 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.937 18.379 39.174 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.372 16.709 38.935 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.217 17.897 37.620 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.971 19.197 37.973 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.286 18.698 36.408 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.886 18.102 36.910 1.00 0.00 H new ATOM 435 N VAL A 28 -6.834 13.473 37.881 1.00 0.00 N ATOM 436 CA VAL A 28 -8.030 13.004 38.578 1.00 0.00 C ATOM 437 C VAL A 28 -7.701 11.983 39.663 1.00 0.00 C ATOM 438 O VAL A 28 -8.363 11.924 40.699 1.00 0.00 O ATOM 439 CB VAL A 28 -8.994 12.377 37.564 1.00 0.00 C ATOM 440 CG1 VAL A 28 -10.190 11.758 38.294 1.00 0.00 C ATOM 441 CG2 VAL A 28 -9.492 13.459 36.604 1.00 0.00 C ATOM 0 H VAL A 28 -6.747 13.130 36.924 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.490 13.865 39.063 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.472 11.599 37.006 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.870 11.315 37.567 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.839 10.987 38.979 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.713 12.532 38.856 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.178 13.017 35.881 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.010 14.235 37.168 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.644 13.897 36.078 1.00 0.00 H new ATOM 451 N ILE A 29 -6.682 11.175 39.407 1.00 0.00 N ATOM 452 CA ILE A 29 -6.269 10.144 40.349 1.00 0.00 C ATOM 453 C ILE A 29 -5.830 10.749 41.682 1.00 0.00 C ATOM 454 O ILE A 29 -6.144 10.199 42.735 1.00 0.00 O ATOM 455 CB ILE A 29 -5.120 9.322 39.756 1.00 0.00 C ATOM 456 CG1 ILE A 29 -5.589 8.606 38.474 1.00 0.00 C ATOM 457 CG2 ILE A 29 -4.630 8.293 40.780 1.00 0.00 C ATOM 458 CD1 ILE A 29 -6.792 7.690 38.751 1.00 0.00 C ATOM 0 H ILE A 29 -6.125 11.214 38.553 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.127 9.498 40.533 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.298 9.993 39.506 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.859 9.346 37.720 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.769 8.017 38.063 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.813 7.713 40.351 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.278 8.808 41.674 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.449 7.625 41.045 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.097 7.201 37.826 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.513 6.935 39.486 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.620 8.284 39.138 1.00 0.00 H new ATOM 470 N LEU A 30 -5.096 11.856 41.658 1.00 0.00 N ATOM 471 CA LEU A 30 -4.639 12.447 42.914 1.00 0.00 C ATOM 472 C LEU A 30 -5.818 12.802 43.821 1.00 0.00 C ATOM 473 O LEU A 30 -5.798 12.460 45.002 1.00 0.00 O ATOM 474 CB LEU A 30 -3.814 13.705 42.630 1.00 0.00 C ATOM 475 CG LEU A 30 -2.478 13.325 41.972 1.00 0.00 C ATOM 476 CD1 LEU A 30 -1.770 14.600 41.500 1.00 0.00 C ATOM 477 CD2 LEU A 30 -1.577 12.570 42.974 1.00 0.00 C ATOM 0 H LEU A 30 -4.811 12.351 40.813 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.021 11.710 43.427 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.372 14.375 41.976 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.630 14.246 43.558 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.673 12.672 41.121 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.821 14.337 41.032 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.399 15.119 40.777 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.585 15.251 42.354 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.635 12.309 42.491 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.378 13.207 43.836 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.081 11.661 43.303 1.00 0.00 H new ATOM 489 N LEU A 31 -6.822 13.512 43.319 1.00 0.00 N ATOM 490 CA LEU A 31 -7.936 13.903 44.179 1.00 0.00 C ATOM 491 C LEU A 31 -8.610 12.675 44.788 1.00 0.00 C ATOM 492 O LEU A 31 -8.959 12.653 45.969 1.00 0.00 O ATOM 493 CB LEU A 31 -8.971 14.661 43.343 1.00 0.00 C ATOM 494 CG LEU A 31 -8.417 16.031 42.918 1.00 0.00 C ATOM 495 CD1 LEU A 31 -9.367 16.660 41.893 1.00 0.00 C ATOM 496 CD2 LEU A 31 -8.277 16.966 44.141 1.00 0.00 C ATOM 0 H LEU A 31 -6.890 13.822 42.350 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.550 14.532 44.981 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.233 14.078 42.460 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.886 14.795 43.920 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.430 15.893 42.476 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.980 17.632 41.587 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.444 16.010 41.022 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.353 16.786 42.340 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.883 17.930 43.819 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.254 17.109 44.603 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.595 16.519 44.864 1.00 0.00 H new ATOM 508 N GLY A 32 -8.757 11.649 43.960 1.00 0.00 N ATOM 509 CA GLY A 32 -9.358 10.394 44.404 1.00 0.00 C ATOM 510 C GLY A 32 -8.503 9.765 45.499 1.00 0.00 C ATOM 511 O GLY A 32 -9.005 9.322 46.529 1.00 0.00 O ATOM 0 H GLY A 32 -8.470 11.659 42.981 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.366 10.576 44.777 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.449 9.707 43.563 1.00 0.00 H new ATOM 515 N VAL A 33 -7.195 9.787 45.273 1.00 0.00 N ATOM 516 CA VAL A 33 -6.271 9.264 46.279 1.00 0.00 C ATOM 517 C VAL A 33 -6.553 10.023 47.578 1.00 0.00 C ATOM 518 O VAL A 33 -6.723 9.421 48.639 1.00 0.00 O ATOM 519 CB VAL A 33 -4.811 9.454 45.846 1.00 0.00 C ATOM 520 CG1 VAL A 33 -3.882 9.152 47.028 1.00 0.00 C ATOM 521 CG2 VAL A 33 -4.486 8.493 44.692 1.00 0.00 C ATOM 0 H VAL A 33 -6.756 10.150 44.427 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.419 8.192 46.412 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.665 10.483 45.518 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.845 9.287 46.720 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.107 9.831 47.851 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.032 8.123 47.355 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.449 8.630 44.386 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.635 7.465 45.022 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.144 8.702 43.848 1.00 0.00 H new ATOM 531 N VAL A 34 -6.590 11.348 47.480 1.00 0.00 N ATOM 532 CA VAL A 34 -6.839 12.184 48.652 1.00 0.00 C ATOM 533 C VAL A 34 -8.206 11.833 49.246 1.00 0.00 C ATOM 534 O VAL A 34 -8.383 11.728 50.456 1.00 0.00 O ATOM 535 CB VAL A 34 -6.813 13.663 48.250 1.00 0.00 C ATOM 536 CG1 VAL A 34 -7.283 14.529 49.423 1.00 0.00 C ATOM 537 CG2 VAL A 34 -5.385 14.058 47.869 1.00 0.00 C ATOM 0 H VAL A 34 -6.452 11.863 46.611 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.063 12.004 49.396 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.478 13.817 47.400 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.262 15.579 49.131 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.300 14.249 49.698 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.622 14.376 50.276 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.363 15.109 47.582 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.724 13.900 48.721 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.050 13.446 47.031 1.00 0.00 H new ATOM 547 N GLY A 35 -9.163 11.660 48.347 1.00 0.00 N ATOM 548 CA GLY A 35 -10.525 11.317 48.750 1.00 0.00 C ATOM 549 C GLY A 35 -10.508 10.009 49.537 1.00 0.00 C ATOM 550 O GLY A 35 -11.114 9.897 50.602 1.00 0.00 O ATOM 0 H GLY A 35 -9.027 11.750 47.340 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.947 12.116 49.360 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.162 11.217 47.871 1.00 0.00 H new ATOM 554 N LEU A 36 -9.785 9.035 49.002 1.00 0.00 N ATOM 555 CA LEU A 36 -9.638 7.727 49.636 1.00 0.00 C ATOM 556 C LEU A 36 -8.815 7.836 50.921 1.00 0.00 C ATOM 557 O LEU A 36 -9.004 7.080 51.865 1.00 0.00 O ATOM 558 CB LEU A 36 -8.938 6.761 48.675 1.00 0.00 C ATOM 559 CG LEU A 36 -9.855 6.442 47.480 1.00 0.00 C ATOM 560 CD1 LEU A 36 -9.062 5.647 46.434 1.00 0.00 C ATOM 561 CD2 LEU A 36 -11.078 5.618 47.940 1.00 0.00 C ATOM 0 H LEU A 36 -9.284 9.126 48.118 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.632 7.354 49.882 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.006 7.201 48.320 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.677 5.841 49.198 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.210 7.377 47.046 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.707 5.418 45.585 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.212 6.239 46.095 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.703 4.718 46.878 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.715 5.402 47.082 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.740 4.682 48.386 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.644 6.187 48.677 1.00 0.00 H new ATOM 573 N SER A 37 -7.916 8.807 50.942 1.00 0.00 N ATOM 574 CA SER A 37 -7.090 9.025 52.130 1.00 0.00 C ATOM 575 C SER A 37 -8.009 9.327 53.317 1.00 0.00 C ATOM 576 O SER A 37 -7.673 9.077 54.451 1.00 0.00 O ATOM 577 CB SER A 37 -6.114 10.179 51.924 1.00 0.00 C ATOM 578 OG SER A 37 -6.801 11.410 52.094 1.00 0.00 O ATOM 0 H SER A 37 -7.738 9.448 50.169 1.00 0.00 H new ATOM 0 HA SER A 37 -6.504 8.126 52.322 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.292 10.107 52.636 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.677 10.128 50.927 1.00 0.00 H new ATOM 0 HG SER A 37 -7.651 11.381 51.606 1.00 0.00 H new ATOM 584 N ALA A 38 -9.160 9.886 53.045 1.00 0.00 N ATOM 585 CA ALA A 38 -10.083 10.220 54.134 1.00 0.00 C ATOM 586 C ALA A 38 -10.355 8.961 54.984 1.00 0.00 C ATOM 587 O ALA A 38 -10.580 9.021 56.193 1.00 0.00 O ATOM 588 CB ALA A 38 -11.401 10.743 53.558 1.00 0.00 C ATOM 0 H ALA A 38 -9.488 10.120 52.108 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.634 10.992 54.759 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.082 10.989 54.373 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.209 11.636 52.963 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -11.852 9.977 52.927 1.00 0.00 H new ATOM 594 N LEU A 39 -10.305 7.834 54.289 1.00 0.00 N ATOM 595 CA LEU A 39 -10.521 6.521 54.927 1.00 0.00 C ATOM 596 C LEU A 39 -9.272 6.042 55.715 1.00 0.00 C ATOM 597 O LEU A 39 -9.373 5.605 56.862 1.00 0.00 O ATOM 598 CB LEU A 39 -10.896 5.462 53.868 1.00 0.00 C ATOM 599 CG LEU A 39 -12.388 5.562 53.531 1.00 0.00 C ATOM 600 CD1 LEU A 39 -12.692 6.950 52.962 1.00 0.00 C ATOM 601 CD2 LEU A 39 -12.749 4.497 52.492 1.00 0.00 C ATOM 0 H LEU A 39 -10.118 7.790 53.287 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.341 6.642 55.635 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.301 5.610 52.967 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.665 4.464 54.242 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.975 5.403 54.436 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.753 7.021 52.722 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.435 7.710 53.700 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.105 7.109 52.058 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.810 4.568 52.252 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.161 4.656 51.588 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.533 3.508 52.895 1.00 0.00 H new ATOM 613 N THR A 40 -8.118 6.084 55.048 1.00 0.00 N ATOM 614 CA THR A 40 -6.839 5.607 55.628 1.00 0.00 C ATOM 615 C THR A 40 -5.928 6.740 56.131 1.00 0.00 C ATOM 616 O THR A 40 -4.925 6.513 56.808 1.00 0.00 O ATOM 617 CB THR A 40 -6.069 4.891 54.516 1.00 0.00 C ATOM 618 OG1 THR A 40 -5.822 5.800 53.452 1.00 0.00 O ATOM 619 CG2 THR A 40 -6.890 3.708 53.999 1.00 0.00 C ATOM 0 H THR A 40 -8.032 6.444 54.098 1.00 0.00 H new ATOM 0 HA THR A 40 -7.089 4.972 56.478 1.00 0.00 H new ATOM 0 HB THR A 40 -5.121 4.525 54.910 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.856 5.876 53.304 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.339 3.201 53.207 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.077 3.010 54.815 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.840 4.069 53.605 1.00 0.00 H new ATOM 627 N GLY A 41 -6.343 7.949 55.823 1.00 0.00 N ATOM 628 CA GLY A 41 -5.637 9.160 56.264 1.00 0.00 C ATOM 629 C GLY A 41 -4.152 9.122 55.916 1.00 0.00 C ATOM 630 O GLY A 41 -3.315 9.564 56.703 1.00 0.00 O ATOM 0 H GLY A 41 -7.175 8.134 55.262 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.095 10.034 55.800 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.753 9.274 57.342 1.00 0.00 H new ATOM 634 N TYR A 42 -3.823 8.606 54.739 1.00 0.00 N ATOM 635 CA TYR A 42 -2.434 8.529 54.293 1.00 0.00 C ATOM 636 C TYR A 42 -2.117 9.621 53.266 1.00 0.00 C ATOM 637 O TYR A 42 -1.127 9.535 52.541 1.00 0.00 O ATOM 638 CB TYR A 42 -2.137 7.102 53.787 1.00 0.00 C ATOM 639 CG TYR A 42 -2.273 6.958 52.280 1.00 0.00 C ATOM 640 CD1 TYR A 42 -3.429 7.390 51.618 1.00 0.00 C ATOM 641 CD2 TYR A 42 -1.252 6.324 51.561 1.00 0.00 C ATOM 642 CE1 TYR A 42 -3.564 7.188 50.240 1.00 0.00 C ATOM 643 CE2 TYR A 42 -1.388 6.123 50.183 1.00 0.00 C ATOM 644 CZ TYR A 42 -2.544 6.555 49.522 1.00 0.00 C ATOM 645 OH TYR A 42 -2.676 6.356 48.163 1.00 0.00 O ATOM 0 H TYR A 42 -4.499 8.233 54.073 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.766 8.722 55.132 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -1.126 6.823 54.082 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.816 6.402 54.275 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -4.217 7.879 52.171 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.360 5.990 52.070 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.456 7.521 49.731 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.600 5.634 49.629 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.877 5.904 47.819 1.00 0.00 H new ATOM 655 N LEU A 43 -2.999 10.616 53.171 1.00 0.00 N ATOM 656 CA LEU A 43 -2.805 11.666 52.167 1.00 0.00 C ATOM 657 C LEU A 43 -1.439 12.335 52.339 1.00 0.00 C ATOM 658 O LEU A 43 -0.967 13.055 51.465 1.00 0.00 O ATOM 659 CB LEU A 43 -3.942 12.704 52.175 1.00 0.00 C ATOM 660 CG LEU A 43 -4.465 12.903 53.602 1.00 0.00 C ATOM 661 CD1 LEU A 43 -3.324 13.359 54.522 1.00 0.00 C ATOM 662 CD2 LEU A 43 -5.569 13.967 53.586 1.00 0.00 C ATOM 0 H LEU A 43 -3.829 10.719 53.755 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.831 11.185 51.189 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.582 13.652 51.776 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.752 12.372 51.526 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.864 11.960 53.976 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.706 13.498 55.534 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.539 12.603 54.531 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.916 14.301 54.156 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.947 14.115 54.598 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.164 14.906 53.209 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.382 13.638 52.940 1.00 0.00 H new ATOM 674 N ASP A 44 -0.824 12.085 53.485 1.00 0.00 N ATOM 675 CA ASP A 44 0.487 12.656 53.780 1.00 0.00 C ATOM 676 C ASP A 44 1.502 12.174 52.742 1.00 0.00 C ATOM 677 O ASP A 44 2.359 12.941 52.301 1.00 0.00 O ATOM 678 CB ASP A 44 0.927 12.274 55.194 1.00 0.00 C ATOM 679 CG ASP A 44 2.267 12.912 55.543 1.00 0.00 C ATOM 680 OD1 ASP A 44 2.803 13.637 54.720 1.00 0.00 O ATOM 681 OD2 ASP A 44 2.739 12.659 56.639 1.00 0.00 O ATOM 0 H ASP A 44 -1.206 11.495 54.224 1.00 0.00 H new ATOM 0 HA ASP A 44 0.426 13.743 53.730 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.171 12.592 55.912 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.005 11.190 55.273 1.00 0.00 H new ATOM 686 N TYR A 45 1.417 10.901 52.371 1.00 0.00 N ATOM 687 CA TYR A 45 2.357 10.340 51.404 1.00 0.00 C ATOM 688 C TYR A 45 2.319 11.089 50.069 1.00 0.00 C ATOM 689 O TYR A 45 3.371 11.304 49.481 1.00 0.00 O ATOM 690 CB TYR A 45 2.044 8.859 51.162 1.00 0.00 C ATOM 691 CG TYR A 45 2.493 8.033 52.344 1.00 0.00 C ATOM 692 CD1 TYR A 45 3.791 7.510 52.379 1.00 0.00 C ATOM 693 CD2 TYR A 45 1.606 7.775 53.397 1.00 0.00 C ATOM 694 CE1 TYR A 45 4.204 6.731 53.466 1.00 0.00 C ATOM 695 CE2 TYR A 45 2.018 6.995 54.484 1.00 0.00 C ATOM 696 CZ TYR A 45 3.317 6.473 54.519 1.00 0.00 C ATOM 697 OH TYR A 45 3.724 5.704 55.590 1.00 0.00 O ATOM 0 H TYR A 45 0.718 10.245 52.719 1.00 0.00 H new ATOM 0 HA TYR A 45 3.357 10.446 51.825 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.974 8.727 51.002 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.546 8.516 50.257 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.474 7.708 51.566 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.604 8.178 53.370 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.206 6.329 53.493 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.334 6.796 55.296 1.00 0.00 H new ATOM 0 HH TYR A 45 2.989 5.623 56.233 1.00 0.00 H new ATOM 707 N VAL A 46 1.110 11.444 49.596 1.00 0.00 N ATOM 708 CA VAL A 46 0.914 12.138 48.297 1.00 0.00 C ATOM 709 C VAL A 46 2.208 12.651 47.661 1.00 0.00 C ATOM 710 O VAL A 46 2.444 12.421 46.475 1.00 0.00 O ATOM 711 CB VAL A 46 -0.048 13.318 48.478 1.00 0.00 C ATOM 712 CG1 VAL A 46 -1.444 12.795 48.864 1.00 0.00 C ATOM 713 CG2 VAL A 46 0.493 14.268 49.565 1.00 0.00 C ATOM 0 H VAL A 46 0.240 11.261 50.097 1.00 0.00 H new ATOM 0 HA VAL A 46 0.503 11.389 47.620 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.128 13.869 47.541 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.125 13.636 48.992 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.818 12.141 48.076 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.378 12.237 49.798 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.193 15.105 49.691 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.584 13.728 50.508 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.472 14.643 49.266 1.00 0.00 H new ATOM 723 N LEU A 47 3.036 13.346 48.420 1.00 0.00 N ATOM 724 CA LEU A 47 4.275 13.869 47.859 1.00 0.00 C ATOM 725 C LEU A 47 5.077 12.742 47.191 1.00 0.00 C ATOM 726 O LEU A 47 5.556 12.880 46.065 1.00 0.00 O ATOM 727 CB LEU A 47 5.110 14.481 48.994 1.00 0.00 C ATOM 728 CG LEU A 47 6.447 15.020 48.458 1.00 0.00 C ATOM 729 CD1 LEU A 47 6.195 16.109 47.403 1.00 0.00 C ATOM 730 CD2 LEU A 47 7.243 15.613 49.626 1.00 0.00 C ATOM 0 H LEU A 47 2.882 13.560 49.405 1.00 0.00 H new ATOM 0 HA LEU A 47 4.041 14.625 47.109 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.551 15.288 49.468 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.297 13.729 49.761 1.00 0.00 H new ATOM 0 HG LEU A 47 7.008 14.208 47.995 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.149 16.483 47.031 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.622 15.689 46.576 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.635 16.929 47.853 1.00 0.00 H new ATOM 0 HD21 LEU A 47 8.194 15.999 49.259 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.673 16.424 50.080 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.429 14.839 50.370 1.00 0.00 H new ATOM 742 N LEU A 48 5.219 11.633 47.918 1.00 0.00 N ATOM 743 CA LEU A 48 5.970 10.477 47.417 1.00 0.00 C ATOM 744 C LEU A 48 5.333 9.877 46.139 1.00 0.00 C ATOM 745 O LEU A 48 5.974 9.899 45.088 1.00 0.00 O ATOM 746 CB LEU A 48 6.147 9.422 48.539 1.00 0.00 C ATOM 747 CG LEU A 48 7.525 9.561 49.205 1.00 0.00 C ATOM 748 CD1 LEU A 48 7.642 10.935 49.872 1.00 0.00 C ATOM 749 CD2 LEU A 48 7.688 8.465 50.263 1.00 0.00 C ATOM 0 H LEU A 48 4.827 11.509 48.851 1.00 0.00 H new ATOM 0 HA LEU A 48 6.962 10.820 47.123 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.363 9.544 49.286 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.038 8.420 48.123 1.00 0.00 H new ATOM 0 HG LEU A 48 8.304 9.462 48.449 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.621 11.029 50.343 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.525 11.716 49.120 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.864 11.040 50.628 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.664 8.560 50.738 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.907 8.567 51.016 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.609 7.487 49.789 1.00 0.00 H new ATOM 761 N PRO A 49 4.107 9.379 46.155 1.00 0.00 N ATOM 762 CA PRO A 49 3.467 8.832 44.914 1.00 0.00 C ATOM 763 C PRO A 49 3.569 9.804 43.736 1.00 0.00 C ATOM 764 O PRO A 49 3.589 9.385 42.579 1.00 0.00 O ATOM 765 CB PRO A 49 2.005 8.625 45.323 1.00 0.00 C ATOM 766 CG PRO A 49 2.072 8.350 46.782 1.00 0.00 C ATOM 767 CD PRO A 49 3.197 9.242 47.311 1.00 0.00 C ATOM 0 HA PRO A 49 3.954 7.919 44.571 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.403 9.509 45.111 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.553 7.794 44.781 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.125 8.581 47.269 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.281 7.298 46.975 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.819 10.210 47.640 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.700 8.788 48.165 1.00 0.00 H new ATOM 775 N ALA A 50 3.675 11.097 44.037 1.00 0.00 N ATOM 776 CA ALA A 50 3.823 12.121 43.008 1.00 0.00 C ATOM 777 C ALA A 50 5.210 12.049 42.380 1.00 0.00 C ATOM 778 O ALA A 50 5.372 12.351 41.198 1.00 0.00 O ATOM 779 CB ALA A 50 3.599 13.510 43.609 1.00 0.00 C ATOM 0 H ALA A 50 3.661 11.460 44.990 1.00 0.00 H new ATOM 0 HA ALA A 50 3.076 11.942 42.234 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.712 14.265 42.831 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.594 13.568 44.027 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.331 13.688 44.397 1.00 0.00 H new ATOM 785 N LEU A 51 6.203 11.627 43.151 1.00 0.00 N ATOM 786 CA LEU A 51 7.548 11.503 42.612 1.00 0.00 C ATOM 787 C LEU A 51 7.547 10.440 41.522 1.00 0.00 C ATOM 788 O LEU A 51 8.184 10.583 40.481 1.00 0.00 O ATOM 789 CB LEU A 51 8.528 11.094 43.716 1.00 0.00 C ATOM 790 CG LEU A 51 8.702 12.240 44.725 1.00 0.00 C ATOM 791 CD1 LEU A 51 9.526 11.739 45.918 1.00 0.00 C ATOM 792 CD2 LEU A 51 9.420 13.439 44.066 1.00 0.00 C ATOM 0 H LEU A 51 6.106 11.369 44.133 1.00 0.00 H new ATOM 0 HA LEU A 51 7.860 12.464 42.202 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.161 10.204 44.226 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.492 10.836 43.279 1.00 0.00 H new ATOM 0 HG LEU A 51 7.719 12.568 45.063 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.653 12.548 46.638 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.007 10.907 46.395 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.504 11.406 45.570 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.534 14.241 44.796 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.403 13.126 43.714 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.830 13.798 43.223 1.00 0.00 H new ATOM 804 N ALA A 52 6.784 9.384 41.779 1.00 0.00 N ATOM 805 CA ALA A 52 6.653 8.295 40.821 1.00 0.00 C ATOM 806 C ALA A 52 6.064 8.829 39.517 1.00 0.00 C ATOM 807 O ALA A 52 6.531 8.486 38.431 1.00 0.00 O ATOM 808 CB ALA A 52 5.757 7.191 41.386 1.00 0.00 C ATOM 0 H ALA A 52 6.249 9.260 42.639 1.00 0.00 H new ATOM 0 HA ALA A 52 7.640 7.874 40.627 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.670 6.385 40.658 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.194 6.803 42.306 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.768 7.598 41.598 1.00 0.00 H new ATOM 814 N ILE A 53 5.051 9.687 39.628 1.00 0.00 N ATOM 815 CA ILE A 53 4.434 10.275 38.442 1.00 0.00 C ATOM 816 C ILE A 53 5.444 11.129 37.675 1.00 0.00 C ATOM 817 O ILE A 53 5.599 10.951 36.471 1.00 0.00 O ATOM 818 CB ILE A 53 3.219 11.121 38.846 1.00 0.00 C ATOM 819 CG1 ILE A 53 2.120 10.196 39.384 1.00 0.00 C ATOM 820 CG2 ILE A 53 2.682 11.889 37.633 1.00 0.00 C ATOM 821 CD1 ILE A 53 0.996 11.028 40.011 1.00 0.00 C ATOM 0 H ILE A 53 4.645 9.987 40.514 1.00 0.00 H new ATOM 0 HA ILE A 53 4.102 9.469 37.788 1.00 0.00 H new ATOM 0 HB ILE A 53 3.519 11.834 39.614 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.722 9.582 38.576 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.537 9.515 40.126 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.820 12.485 37.932 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.460 12.546 37.244 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.383 11.183 36.858 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.220 10.364 40.390 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.398 11.623 40.831 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.570 11.690 39.258 1.00 0.00 H new ATOM 833 N PHE A 54 6.138 12.048 38.337 1.00 0.00 N ATOM 834 CA PHE A 54 7.114 12.878 37.633 1.00 0.00 C ATOM 835 C PHE A 54 8.190 12.004 36.992 1.00 0.00 C ATOM 836 O PHE A 54 8.601 12.248 35.858 1.00 0.00 O ATOM 837 CB PHE A 54 7.751 13.873 38.604 1.00 0.00 C ATOM 838 CG PHE A 54 8.682 14.798 37.857 1.00 0.00 C ATOM 839 CD1 PHE A 54 8.156 15.860 37.113 1.00 0.00 C ATOM 840 CD2 PHE A 54 10.067 14.603 37.916 1.00 0.00 C ATOM 841 CE1 PHE A 54 9.016 16.728 36.427 1.00 0.00 C ATOM 842 CE2 PHE A 54 10.927 15.470 37.230 1.00 0.00 C ATOM 843 CZ PHE A 54 10.401 16.532 36.486 1.00 0.00 C ATOM 0 H PHE A 54 6.049 12.236 39.335 1.00 0.00 H new ATOM 0 HA PHE A 54 6.602 13.431 36.846 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.975 14.452 39.106 1.00 0.00 H new ATOM 0 HB3 PHE A 54 8.301 13.338 39.378 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.088 16.011 37.067 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.473 13.784 38.491 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.611 17.548 35.853 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.995 15.319 37.275 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.064 17.201 35.957 1.00 0.00 H new ATOM 853 N ILE A 55 8.618 10.972 37.705 1.00 0.00 N ATOM 854 CA ILE A 55 9.618 10.051 37.175 1.00 0.00 C ATOM 855 C ILE A 55 9.051 9.288 35.977 1.00 0.00 C ATOM 856 O ILE A 55 9.718 9.078 34.966 1.00 0.00 O ATOM 857 CB ILE A 55 10.026 9.057 38.272 1.00 0.00 C ATOM 858 CG1 ILE A 55 10.830 9.792 39.348 1.00 0.00 C ATOM 859 CG2 ILE A 55 10.892 7.943 37.672 1.00 0.00 C ATOM 860 CD1 ILE A 55 10.962 8.903 40.586 1.00 0.00 C ATOM 0 H ILE A 55 8.292 10.751 38.646 1.00 0.00 H new ATOM 0 HA ILE A 55 10.490 10.619 36.850 1.00 0.00 H new ATOM 0 HB ILE A 55 9.129 8.621 38.711 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.818 10.050 38.966 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.336 10.727 39.610 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.178 7.242 38.456 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.326 7.417 36.903 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.789 8.377 37.230 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.535 9.427 41.351 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.970 8.668 40.972 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.475 7.980 40.318 1.00 0.00 H new ATOM 872 N GLY A 56 7.799 8.872 36.137 1.00 0.00 N ATOM 873 CA GLY A 56 7.093 8.121 35.103 1.00 0.00 C ATOM 874 C GLY A 56 6.777 8.976 33.872 1.00 0.00 C ATOM 875 O GLY A 56 6.939 8.525 32.738 1.00 0.00 O ATOM 0 H GLY A 56 7.249 9.043 36.979 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.698 7.266 34.802 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.165 7.726 35.515 1.00 0.00 H new ATOM 879 N LEU A 57 6.294 10.196 34.101 1.00 0.00 N ATOM 880 CA LEU A 57 5.926 11.072 32.987 1.00 0.00 C ATOM 881 C LEU A 57 7.165 11.614 32.268 1.00 0.00 C ATOM 882 O LEU A 57 7.263 11.518 31.044 1.00 0.00 O ATOM 883 CB LEU A 57 5.055 12.239 33.511 1.00 0.00 C ATOM 884 CG LEU A 57 3.559 11.897 33.384 1.00 0.00 C ATOM 885 CD1 LEU A 57 3.253 10.572 34.101 1.00 0.00 C ATOM 886 CD2 LEU A 57 2.735 13.026 34.011 1.00 0.00 C ATOM 0 H LEU A 57 6.150 10.596 35.028 1.00 0.00 H new ATOM 0 HA LEU A 57 5.356 10.488 32.265 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.300 12.443 34.553 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.275 13.146 32.948 1.00 0.00 H new ATOM 0 HG LEU A 57 3.301 11.790 32.330 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.192 10.342 34.003 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.841 9.771 33.652 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.509 10.662 35.157 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.674 12.792 33.926 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.000 13.129 35.063 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.944 13.961 33.491 1.00 0.00 H new ATOM 898 N THR A 58 8.090 12.211 33.014 1.00 0.00 N ATOM 899 CA THR A 58 9.280 12.785 32.394 1.00 0.00 C ATOM 900 C THR A 58 9.942 11.766 31.475 1.00 0.00 C ATOM 901 O THR A 58 10.394 12.096 30.378 1.00 0.00 O ATOM 902 CB THR A 58 10.271 13.231 33.478 1.00 0.00 C ATOM 903 OG1 THR A 58 11.289 14.026 32.885 1.00 0.00 O ATOM 904 CG2 THR A 58 10.903 12.011 34.150 1.00 0.00 C ATOM 0 H THR A 58 8.042 12.309 34.028 1.00 0.00 H new ATOM 0 HA THR A 58 8.983 13.651 31.802 1.00 0.00 H new ATOM 0 HB THR A 58 9.739 13.813 34.231 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.923 14.314 33.575 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.604 12.340 34.917 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.123 11.403 34.608 1.00 0.00 H new ATOM 0 HG23 THR A 58 11.433 11.419 33.404 1.00 0.00 H new ATOM 912 N ILE A 59 9.952 10.517 31.924 1.00 0.00 N ATOM 913 CA ILE A 59 10.511 9.433 31.129 1.00 0.00 C ATOM 914 C ILE A 59 9.666 9.238 29.873 1.00 0.00 C ATOM 915 O ILE A 59 10.197 9.019 28.785 1.00 0.00 O ATOM 916 CB ILE A 59 10.555 8.137 31.957 1.00 0.00 C ATOM 917 CG1 ILE A 59 11.613 8.255 33.075 1.00 0.00 C ATOM 918 CG2 ILE A 59 10.883 6.944 31.052 1.00 0.00 C ATOM 919 CD1 ILE A 59 13.044 8.041 32.537 1.00 0.00 C ATOM 0 H ILE A 59 9.581 10.231 32.830 1.00 0.00 H new ATOM 0 HA ILE A 59 11.530 9.686 30.836 1.00 0.00 H new ATOM 0 HB ILE A 59 9.577 7.979 32.411 1.00 0.00 H new ATOM 0 HG12 ILE A 59 11.543 9.239 33.539 1.00 0.00 H new ATOM 0 HG13 ILE A 59 11.404 7.520 33.852 1.00 0.00 H new ATOM 0 HG21 ILE A 59 10.912 6.032 31.648 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.117 6.850 30.282 1.00 0.00 H new ATOM 0 HG23 ILE A 59 11.854 7.100 30.581 1.00 0.00 H new ATOM 0 HD11 ILE A 59 13.758 8.132 33.356 1.00 0.00 H new ATOM 0 HD12 ILE A 59 13.122 7.047 32.096 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.264 8.792 31.778 1.00 0.00 H new ATOM 931 N TYR A 60 8.346 9.273 30.036 1.00 0.00 N ATOM 932 CA TYR A 60 7.427 9.053 28.924 1.00 0.00 C ATOM 933 C TYR A 60 7.609 10.044 27.775 1.00 0.00 C ATOM 934 O TYR A 60 7.451 9.663 26.621 1.00 0.00 O ATOM 935 CB TYR A 60 5.984 9.123 29.423 1.00 0.00 C ATOM 936 CG TYR A 60 5.045 8.801 28.284 1.00 0.00 C ATOM 937 CD1 TYR A 60 4.731 7.469 27.986 1.00 0.00 C ATOM 938 CD2 TYR A 60 4.491 9.838 27.525 1.00 0.00 C ATOM 939 CE1 TYR A 60 3.863 7.175 26.927 1.00 0.00 C ATOM 940 CE2 TYR A 60 3.623 9.544 26.467 1.00 0.00 C ATOM 941 CZ TYR A 60 3.308 8.213 26.168 1.00 0.00 C ATOM 942 OH TYR A 60 2.452 7.923 25.125 1.00 0.00 O ATOM 0 H TYR A 60 7.888 9.452 30.930 1.00 0.00 H new ATOM 0 HA TYR A 60 7.656 8.063 28.530 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.836 8.419 30.242 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.771 10.117 29.815 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.158 6.669 28.573 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.733 10.865 27.756 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.622 6.148 26.696 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.196 10.344 25.881 1.00 0.00 H new ATOM 0 HH TYR A 60 2.156 8.757 24.703 1.00 0.00 H new ATOM 952 N ALA A 61 7.913 11.309 28.048 1.00 0.00 N ATOM 953 CA ALA A 61 8.056 12.238 26.929 1.00 0.00 C ATOM 954 C ALA A 61 9.170 11.721 26.024 1.00 0.00 C ATOM 955 O ALA A 61 9.038 11.640 24.803 1.00 0.00 O ATOM 956 CB ALA A 61 8.406 13.637 27.439 1.00 0.00 C ATOM 0 H ALA A 61 8.059 11.701 28.979 1.00 0.00 H new ATOM 0 HA ALA A 61 7.118 12.303 26.378 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.509 14.317 26.594 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.613 13.993 28.097 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.345 13.599 27.991 1.00 0.00 H new ATOM 962 N ILE A 62 10.288 11.439 26.677 1.00 0.00 N ATOM 963 CA ILE A 62 11.500 10.992 26.002 1.00 0.00 C ATOM 964 C ILE A 62 11.213 9.820 25.059 1.00 0.00 C ATOM 965 O ILE A 62 11.782 9.746 23.970 1.00 0.00 O ATOM 966 CB ILE A 62 12.544 10.572 27.043 1.00 0.00 C ATOM 967 CG1 ILE A 62 13.009 11.808 27.817 1.00 0.00 C ATOM 968 CG2 ILE A 62 13.751 9.935 26.344 1.00 0.00 C ATOM 969 CD1 ILE A 62 13.834 11.375 29.030 1.00 0.00 C ATOM 0 H ILE A 62 10.382 11.513 27.690 1.00 0.00 H new ATOM 0 HA ILE A 62 11.882 11.821 25.406 1.00 0.00 H new ATOM 0 HB ILE A 62 12.099 9.849 27.726 1.00 0.00 H new ATOM 0 HG12 ILE A 62 13.605 12.451 27.170 1.00 0.00 H new ATOM 0 HG13 ILE A 62 12.147 12.392 28.141 1.00 0.00 H new ATOM 0 HG21 ILE A 62 14.489 9.639 27.090 1.00 0.00 H new ATOM 0 HG22 ILE A 62 13.427 9.057 25.786 1.00 0.00 H new ATOM 0 HG23 ILE A 62 14.197 10.656 25.659 1.00 0.00 H new ATOM 0 HD11 ILE A 62 14.164 12.257 29.579 1.00 0.00 H new ATOM 0 HD12 ILE A 62 13.223 10.749 29.681 1.00 0.00 H new ATOM 0 HD13 ILE A 62 14.704 10.810 28.695 1.00 0.00 H new ATOM 981 N GLN A 63 10.328 8.916 25.463 1.00 0.00 N ATOM 982 CA GLN A 63 9.998 7.782 24.603 1.00 0.00 C ATOM 983 C GLN A 63 9.264 8.290 23.354 1.00 0.00 C ATOM 984 O GLN A 63 9.454 7.779 22.250 1.00 0.00 O ATOM 985 CB GLN A 63 9.145 6.743 25.388 1.00 0.00 C ATOM 986 CG GLN A 63 7.626 6.926 25.146 1.00 0.00 C ATOM 987 CD GLN A 63 7.241 6.251 23.831 1.00 0.00 C ATOM 988 OE1 GLN A 63 7.661 5.121 23.581 1.00 0.00 O ATOM 989 NE2 GLN A 63 6.504 6.885 22.959 1.00 0.00 N ATOM 0 H GLN A 63 9.836 8.941 26.356 1.00 0.00 H new ATOM 0 HA GLN A 63 10.911 7.280 24.284 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.439 5.736 25.091 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.355 6.835 26.454 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.060 6.493 25.970 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.377 7.986 25.111 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.157 7.821 23.169 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.275 6.444 22.068 1.00 0.00 H new ATOM 998 N ARG A 64 8.459 9.327 23.551 1.00 0.00 N ATOM 999 CA ARG A 64 7.701 9.991 22.495 1.00 0.00 C ATOM 1000 C ARG A 64 8.580 10.947 21.688 1.00 0.00 C ATOM 1001 O ARG A 64 8.246 11.332 20.570 1.00 0.00 O ATOM 1002 CB ARG A 64 6.533 10.772 23.110 1.00 0.00 C ATOM 1003 CG ARG A 64 5.724 11.444 21.996 1.00 0.00 C ATOM 1004 CD ARG A 64 4.450 12.062 22.575 1.00 0.00 C ATOM 1005 NE ARG A 64 3.724 12.768 21.524 1.00 0.00 N ATOM 1006 CZ ARG A 64 2.942 12.114 20.671 1.00 0.00 C ATOM 1007 NH1 ARG A 64 2.760 10.829 20.807 1.00 0.00 N ATOM 1008 NH2 ARG A 64 2.358 12.757 19.698 1.00 0.00 N ATOM 0 H ARG A 64 8.311 9.740 24.472 1.00 0.00 H new ATOM 0 HA ARG A 64 7.325 9.222 21.820 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.894 10.100 23.683 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.910 11.523 23.804 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.325 12.215 21.513 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.468 10.713 21.230 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.820 11.284 23.006 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.702 12.750 23.382 1.00 0.00 H new ATOM 0 HE ARG A 64 3.818 13.780 21.443 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.218 10.327 21.568 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.160 10.327 20.153 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.501 13.761 19.592 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.758 12.256 19.043 1.00 0.00 H new ATOM 1022 N LYS A 65 9.687 11.351 22.304 1.00 0.00 N ATOM 1023 CA LYS A 65 10.633 12.301 21.718 1.00 0.00 C ATOM 1024 C LYS A 65 11.502 11.691 20.615 1.00 0.00 C ATOM 1025 O LYS A 65 11.822 12.317 19.605 1.00 0.00 O ATOM 1026 CB LYS A 65 11.589 12.748 22.830 1.00 0.00 C ATOM 1027 CG LYS A 65 12.516 13.854 22.309 1.00 0.00 C ATOM 1028 CD LYS A 65 13.416 14.345 23.445 1.00 0.00 C ATOM 1029 CE LYS A 65 14.383 15.401 22.907 1.00 0.00 C ATOM 1030 NZ LYS A 65 13.608 16.569 22.399 1.00 0.00 N ATOM 0 H LYS A 65 9.957 11.026 23.233 1.00 0.00 H new ATOM 0 HA LYS A 65 10.049 13.112 21.283 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.020 13.111 23.686 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.180 11.900 23.176 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.124 13.476 21.487 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.926 14.682 21.915 1.00 0.00 H new ATOM 0 HD2 LYS A 65 12.810 14.766 24.248 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.972 13.510 23.870 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.067 15.719 23.694 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.992 14.979 22.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.232 17.399 22.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.227 16.349 21.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.824 16.775 23.050 1.00 0.00 H new ATOM 1044 N ARG A 66 11.795 10.415 20.834 1.00 0.00 N ATOM 1045 CA ARG A 66 12.543 9.603 19.876 1.00 0.00 C ATOM 1046 C ARG A 66 11.612 9.094 18.775 1.00 0.00 C ATOM 1047 O ARG A 66 11.968 9.028 17.598 1.00 0.00 O ATOM 1048 CB ARG A 66 13.199 8.418 20.589 1.00 0.00 C ATOM 1049 CG ARG A 66 14.249 8.934 21.575 1.00 0.00 C ATOM 1050 CD ARG A 66 14.822 7.761 22.371 1.00 0.00 C ATOM 1051 NE ARG A 66 15.583 6.881 21.492 1.00 0.00 N ATOM 1052 CZ ARG A 66 16.102 5.743 21.941 1.00 0.00 C ATOM 1053 NH1 ARG A 66 15.921 5.389 23.184 1.00 0.00 N ATOM 1054 NH2 ARG A 66 16.793 4.979 21.138 1.00 0.00 N ATOM 0 H ARG A 66 11.522 9.913 21.679 1.00 0.00 H new ATOM 0 HA ARG A 66 13.319 10.222 19.426 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.445 7.834 21.117 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.664 7.754 19.861 1.00 0.00 H new ATOM 0 HG2 ARG A 66 15.047 9.447 21.038 1.00 0.00 H new ATOM 0 HG3 ARG A 66 13.801 9.662 22.251 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.464 8.133 23.170 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.014 7.204 22.845 1.00 0.00 H new ATOM 0 HE ARG A 66 15.719 7.143 20.516 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.381 5.986 23.811 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.319 4.516 23.529 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.934 5.256 20.167 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.191 4.106 21.482 1.00 0.00 H new ATOM 1068 N GLN A 67 10.386 8.814 19.200 1.00 0.00 N ATOM 1069 CA GLN A 67 9.294 8.389 18.324 1.00 0.00 C ATOM 1070 C GLN A 67 8.568 9.603 17.748 1.00 0.00 C ATOM 1071 O GLN A 67 7.716 9.491 16.877 1.00 0.00 O ATOM 1072 CB GLN A 67 8.328 7.480 19.094 1.00 0.00 C ATOM 1073 CG GLN A 67 9.054 6.164 19.388 1.00 0.00 C ATOM 1074 CD GLN A 67 8.215 5.243 20.267 1.00 0.00 C ATOM 1075 OE1 GLN A 67 7.314 5.683 20.981 1.00 0.00 O ATOM 1076 NE2 GLN A 67 8.482 3.965 20.264 1.00 0.00 N ATOM 0 H GLN A 67 10.115 8.876 20.181 1.00 0.00 H new ATOM 0 HA GLN A 67 9.707 7.821 17.490 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.013 7.957 20.022 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.428 7.296 18.508 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.287 5.659 18.450 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.003 6.374 19.882 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.229 3.601 19.672 1.00 0.00 H new ATOM 0 HE22 GLN A 67 7.944 3.330 20.854 1.00 0.00 H new ATOM 1085 N ALA A 68 8.869 10.749 18.340 1.00 0.00 N ATOM 1086 CA ALA A 68 8.183 11.994 17.975 1.00 0.00 C ATOM 1087 C ALA A 68 8.051 12.055 16.445 1.00 0.00 C ATOM 1088 O ALA A 68 6.991 12.391 15.918 1.00 0.00 O ATOM 1089 CB ALA A 68 8.996 13.203 18.450 1.00 0.00 C ATOM 0 H ALA A 68 9.575 10.850 19.069 1.00 0.00 H new ATOM 0 HA ALA A 68 7.200 12.015 18.446 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.478 14.121 18.174 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.110 13.162 19.533 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.980 13.187 17.981 1.00 0.00 H new ATOM 1095 N ASP A 69 9.106 11.636 15.747 1.00 0.00 N ATOM 1096 CA ASP A 69 9.057 11.551 14.288 1.00 0.00 C ATOM 1097 C ASP A 69 7.946 10.576 13.899 1.00 0.00 C ATOM 1098 O ASP A 69 7.089 10.880 13.070 1.00 0.00 O ATOM 1099 CB ASP A 69 10.396 11.019 13.769 1.00 0.00 C ATOM 1100 CG ASP A 69 11.465 12.098 13.900 1.00 0.00 C ATOM 1101 OD1 ASP A 69 11.097 13.241 14.110 1.00 0.00 O ATOM 1102 OD2 ASP A 69 12.632 11.772 13.761 1.00 0.00 O ATOM 0 H ASP A 69 9.994 11.353 16.161 1.00 0.00 H new ATOM 0 HA ASP A 69 8.865 12.534 13.859 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.689 10.133 14.333 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.298 10.716 12.727 1.00 0.00 H new ATOM 1107 N ALA A 70 7.987 9.397 14.511 1.00 0.00 N ATOM 1108 CA ALA A 70 6.998 8.356 14.237 1.00 0.00 C ATOM 1109 C ALA A 70 5.595 8.835 14.600 1.00 0.00 C ATOM 1110 O ALA A 70 4.631 8.554 13.888 1.00 0.00 O ATOM 1111 CB ALA A 70 7.329 7.081 15.019 1.00 0.00 C ATOM 0 H ALA A 70 8.693 9.137 15.200 1.00 0.00 H new ATOM 0 HA ALA A 70 7.028 8.135 13.170 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.582 6.317 14.803 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.314 6.719 14.725 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.327 7.298 16.087 1.00 0.00 H new ATOM 1117 N SER A 71 5.488 9.559 15.709 1.00 0.00 N ATOM 1118 CA SER A 71 4.200 10.072 16.154 1.00 0.00 C ATOM 1119 C SER A 71 3.226 8.925 16.408 1.00 0.00 C ATOM 1120 O SER A 71 3.006 8.528 17.552 1.00 0.00 O ATOM 1121 CB SER A 71 3.625 11.026 15.106 1.00 0.00 C ATOM 1122 OG SER A 71 2.535 11.743 15.672 1.00 0.00 O ATOM 0 H SER A 71 6.274 9.802 16.312 1.00 0.00 H new ATOM 0 HA SER A 71 4.347 10.616 17.087 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.395 11.719 14.767 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.293 10.467 14.232 1.00 0.00 H new ATOM 0 HG SER A 71 2.165 12.357 15.004 1.00 0.00 H new ATOM 1128 N SER A 72 2.640 8.400 15.337 1.00 0.00 N ATOM 1129 CA SER A 72 1.688 7.304 15.461 1.00 0.00 C ATOM 1130 C SER A 72 2.394 6.006 15.838 1.00 0.00 C ATOM 1131 O SER A 72 3.608 5.876 15.679 1.00 0.00 O ATOM 1132 CB SER A 72 0.936 7.114 14.144 1.00 0.00 C ATOM 1133 OG SER A 72 1.832 6.610 13.162 1.00 0.00 O ATOM 0 H SER A 72 2.806 8.713 14.381 1.00 0.00 H new ATOM 0 HA SER A 72 0.982 7.557 16.252 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.104 6.424 14.283 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.512 8.062 13.814 1.00 0.00 H new ATOM 0 HG SER A 72 1.353 6.485 12.316 1.00 0.00 H new ATOM 1139 N THR A 73 1.621 5.049 16.340 1.00 0.00 N ATOM 1140 CA THR A 73 2.169 3.759 16.741 1.00 0.00 C ATOM 1141 C THR A 73 2.798 3.047 15.532 1.00 0.00 C ATOM 1142 O THR A 73 2.227 3.081 14.442 1.00 0.00 O ATOM 1143 CB THR A 73 1.057 2.885 17.324 1.00 0.00 C ATOM 1144 OG1 THR A 73 1.623 1.699 17.865 1.00 0.00 O ATOM 1145 CG2 THR A 73 0.058 2.521 16.223 1.00 0.00 C ATOM 0 H THR A 73 0.615 5.142 16.479 1.00 0.00 H new ATOM 0 HA THR A 73 2.938 3.925 17.495 1.00 0.00 H new ATOM 0 HB THR A 73 0.540 3.433 18.112 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.912 1.139 18.240 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.733 1.898 16.641 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.377 3.432 15.810 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.571 1.973 15.433 1.00 0.00 H new ATOM 1153 N PRO A 74 3.941 2.395 15.675 1.00 0.00 N ATOM 1154 CA PRO A 74 4.582 1.678 14.527 1.00 0.00 C ATOM 1155 C PRO A 74 3.585 0.785 13.785 1.00 0.00 C ATOM 1156 O PRO A 74 2.745 0.130 14.399 1.00 0.00 O ATOM 1157 CB PRO A 74 5.666 0.827 15.202 1.00 0.00 C ATOM 1158 CG PRO A 74 6.046 1.598 16.418 1.00 0.00 C ATOM 1159 CD PRO A 74 4.759 2.269 16.907 1.00 0.00 C ATOM 0 HA PRO A 74 4.971 2.365 13.775 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.289 -0.162 15.462 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.522 0.679 14.543 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.460 0.942 17.184 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.810 2.340 16.187 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.255 1.667 17.663 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.960 3.242 17.356 1.00 0.00 H new ATOM 1167 N LYS A 75 3.687 0.773 12.460 1.00 0.00 N ATOM 1168 CA LYS A 75 2.790 -0.034 11.639 1.00 0.00 C ATOM 1169 C LYS A 75 2.953 -1.514 11.968 1.00 0.00 C ATOM 1170 O LYS A 75 1.975 -2.260 12.019 1.00 0.00 O ATOM 1171 CB LYS A 75 3.098 0.195 10.153 1.00 0.00 C ATOM 1172 CG LYS A 75 2.692 1.617 9.729 1.00 0.00 C ATOM 1173 CD LYS A 75 1.189 1.685 9.430 1.00 0.00 C ATOM 1174 CE LYS A 75 0.848 3.067 8.871 1.00 0.00 C ATOM 1175 NZ LYS A 75 -0.609 3.135 8.564 1.00 0.00 N ATOM 0 H LYS A 75 4.377 1.309 11.934 1.00 0.00 H new ATOM 0 HA LYS A 75 1.763 0.265 11.850 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.162 0.045 9.969 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.563 -0.537 9.548 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.943 2.323 10.520 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.257 1.914 8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.914 0.912 8.713 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.617 1.496 10.338 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.114 3.839 9.593 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.430 3.260 7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.840 4.075 8.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.850 2.408 7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.155 2.969 9.433 1.00 0.00 H new ATOM 1189 N PHE A 76 4.194 -1.935 12.192 1.00 0.00 N ATOM 1190 CA PHE A 76 4.468 -3.330 12.516 1.00 0.00 C ATOM 1191 C PHE A 76 3.801 -3.714 13.834 1.00 0.00 C ATOM 1192 O PHE A 76 3.273 -4.817 13.974 1.00 0.00 O ATOM 1193 CB PHE A 76 5.977 -3.557 12.624 1.00 0.00 C ATOM 1194 CG PHE A 76 6.600 -3.488 11.250 1.00 0.00 C ATOM 1195 CD1 PHE A 76 6.680 -4.640 10.459 1.00 0.00 C ATOM 1196 CD2 PHE A 76 7.098 -2.272 10.767 1.00 0.00 C ATOM 1197 CE1 PHE A 76 7.259 -4.577 9.186 1.00 0.00 C ATOM 1198 CE2 PHE A 76 7.677 -2.208 9.494 1.00 0.00 C ATOM 1199 CZ PHE A 76 7.757 -3.361 8.704 1.00 0.00 C ATOM 0 H PHE A 76 5.019 -1.336 12.156 1.00 0.00 H new ATOM 0 HA PHE A 76 4.063 -3.953 11.719 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.422 -2.804 13.274 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.177 -4.528 13.077 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.295 -5.578 10.831 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.035 -1.383 11.377 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.321 -5.466 8.576 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.062 -1.270 9.122 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.203 -3.312 7.722 1.00 0.00 H new ATOM 1209 N ASN A 77 3.830 -2.795 14.797 1.00 0.00 N ATOM 1210 CA ASN A 77 3.226 -3.045 16.103 1.00 0.00 C ATOM 1211 C ASN A 77 1.745 -2.682 16.088 1.00 0.00 C ATOM 1212 O ASN A 77 1.384 -1.506 16.025 1.00 0.00 O ATOM 1213 CB ASN A 77 3.940 -2.221 17.176 1.00 0.00 C ATOM 1214 CG ASN A 77 3.450 -2.635 18.560 1.00 0.00 C ATOM 1215 OD1 ASN A 77 3.163 -3.810 18.790 1.00 0.00 O ATOM 1216 ND2 ASN A 77 3.327 -1.735 19.495 1.00 0.00 N ATOM 0 H ASN A 77 4.262 -1.876 14.698 1.00 0.00 H new ATOM 0 HA ASN A 77 3.328 -4.106 16.330 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.018 -2.368 17.103 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.752 -1.159 17.017 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.992 -2.003 20.420 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.566 -0.762 19.301 1.00 0.00 H new ATOM 1223 N GLY A 78 0.891 -3.699 16.146 1.00 0.00 N ATOM 1224 CA GLY A 78 -0.550 -3.477 16.139 1.00 0.00 C ATOM 1225 C GLY A 78 -1.292 -4.711 16.639 1.00 0.00 C ATOM 1226 O GLY A 78 -0.693 -5.769 16.836 1.00 0.00 O ATOM 0 H GLY A 78 1.170 -4.679 16.198 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.793 -2.621 16.769 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.880 -3.234 15.129 1.00 0.00 H new ATOM 1230 N VAL A 79 -2.601 -4.569 16.846 1.00 0.00 N ATOM 1231 CA VAL A 79 -3.429 -5.677 17.329 1.00 0.00 C ATOM 1232 C VAL A 79 -4.695 -5.808 16.487 1.00 0.00 C ATOM 1233 O VAL A 79 -5.108 -4.860 15.818 1.00 0.00 O ATOM 1234 CB VAL A 79 -3.814 -5.439 18.790 1.00 0.00 C ATOM 1235 CG1 VAL A 79 -2.549 -5.369 19.646 1.00 0.00 C ATOM 1236 CG2 VAL A 79 -4.580 -4.119 18.905 1.00 0.00 C ATOM 0 H VAL A 79 -3.111 -3.700 16.688 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.853 -6.599 17.247 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.443 -6.258 19.138 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.823 -5.199 20.687 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.001 -6.308 19.563 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.919 -4.550 19.299 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.855 -3.948 19.946 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.949 -3.301 18.557 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.482 -4.167 18.294 1.00 0.00 H new ATOM 1246 N LYS A 80 -5.304 -6.988 16.525 1.00 0.00 N ATOM 1247 CA LYS A 80 -6.523 -7.234 15.763 1.00 0.00 C ATOM 1248 C LYS A 80 -7.643 -6.312 16.232 1.00 0.00 C ATOM 1249 O LYS A 80 -8.423 -5.805 15.424 1.00 0.00 O ATOM 1250 CB LYS A 80 -6.957 -8.692 15.928 1.00 0.00 C ATOM 1251 CG LYS A 80 -5.964 -9.605 15.205 1.00 0.00 C ATOM 1252 CD LYS A 80 -6.395 -11.063 15.373 1.00 0.00 C ATOM 1253 CE LYS A 80 -5.391 -11.977 14.669 1.00 0.00 C ATOM 1254 NZ LYS A 80 -5.395 -11.686 13.208 1.00 0.00 N ATOM 0 H LYS A 80 -4.976 -7.785 17.071 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.318 -7.033 14.711 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -7.002 -8.952 16.986 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.959 -8.833 15.522 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.921 -9.347 14.147 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.962 -9.462 15.609 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.453 -11.316 16.432 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.391 -11.209 14.955 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.393 -11.823 15.079 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.649 -13.022 14.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.994 -12.495 12.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.371 -11.521 12.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.822 -10.838 13.021 1.00 0.00 H new ATOM 1268 N LYS A 81 -7.719 -6.099 17.545 1.00 0.00 N ATOM 1269 CA LYS A 81 -8.750 -5.235 18.124 1.00 0.00 C ATOM 1270 C LYS A 81 -8.189 -4.458 19.311 1.00 0.00 C ATOM 1271 O LYS A 81 -7.719 -5.094 20.241 1.00 0.00 O ATOM 1272 CB LYS A 81 -9.942 -6.084 18.582 1.00 0.00 C ATOM 1273 CG LYS A 81 -11.172 -5.186 18.771 1.00 0.00 C ATOM 1274 CD LYS A 81 -12.318 -5.979 19.412 1.00 0.00 C ATOM 1275 CE LYS A 81 -12.951 -6.925 18.386 1.00 0.00 C ATOM 1276 NZ LYS A 81 -14.168 -7.549 18.977 1.00 0.00 N ATOM 1277 OXT LYS A 81 -8.236 -3.240 19.272 1.00 0.00 O ATOM 0 H LYS A 81 -7.082 -6.511 18.227 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.079 -4.527 17.363 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.154 -6.858 17.845 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.702 -6.591 19.517 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.915 -4.333 19.400 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.491 -4.787 17.808 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.943 -6.551 20.261 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.072 -5.293 19.798 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.212 -6.376 17.481 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.237 -7.696 18.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.600 -8.192 18.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.905 -8.085 19.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.850 -6.806 19.232 1.00 0.00 H new TER 1291 LYS A 81