USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 518 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 Single : A 1 SER N :NH3+ 177:sc= 0.00837 (180deg=0.00193) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 2 SER OG : rot 180:sc= -1.34! USER MOD Single : A 4 LYS NZ :NH3+ -154:sc= -2.81! (180deg=-3.77!) USER MOD Single : A 9 LYS NZ :NH3+ 158:sc= -0.0201 (180deg=-0.214) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.39 K(o=-1.4,f=-8.8!) USER MOD Single : A 14 LYS NZ :NH3+ -164:sc=-0.00453 (180deg=-0.132) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 77:sc= 0.11 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 36 GLN : amide:sc= -17.2! C(o=-17!,f=-26!) USER MOD Single : A 41 LYS NZ :NH3+ -163:sc=-0.00835 (180deg=-0.162) USER MOD Single : A 51 ASN : amide:sc= -2.67! C(o=-2.7!,f=-3.8!) USER MOD Single : A 55 ASN : amide:sc= -6.72! C(o=-6.7!,f=-6.6!) USER MOD Single : A 60 THR OG1 : rot -55:sc= 0.987 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot -25:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -154:sc= -1.47! (180deg=-3.32!) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.534 -11.755 0.675 1.00 0.00 N ATOM 2 CA SER A 1 -8.019 -11.752 0.549 1.00 0.00 C ATOM 3 C SER A 1 -8.558 -10.371 0.923 1.00 0.00 C ATOM 4 O SER A 1 -9.327 -9.776 0.194 1.00 0.00 O ATOM 5 CB SER A 1 -8.614 -12.802 1.488 1.00 0.00 C ATOM 6 OG SER A 1 -7.894 -14.020 1.348 1.00 0.00 O ATOM 0 H1 SER A 1 -6.170 -12.707 0.470 1.00 0.00 H new ATOM 0 H2 SER A 1 -6.127 -11.076 0.000 1.00 0.00 H new ATOM 0 H3 SER A 1 -6.267 -11.483 1.643 1.00 0.00 H new ATOM 0 HA SER A 1 -8.297 -11.986 -0.479 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.565 -12.454 2.520 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.667 -12.960 1.255 1.00 0.00 H new ATOM 0 HG SER A 1 -8.272 -14.695 1.950 1.00 0.00 H new ATOM 11 N SER A 2 -8.165 -9.858 2.057 1.00 0.00 N ATOM 12 CA SER A 2 -8.657 -8.515 2.480 1.00 0.00 C ATOM 13 C SER A 2 -7.720 -7.433 1.946 1.00 0.00 C ATOM 14 O SER A 2 -7.284 -6.565 2.669 1.00 0.00 O ATOM 15 CB SER A 2 -8.689 -8.446 4.011 1.00 0.00 C ATOM 16 OG SER A 2 -7.871 -9.479 4.543 1.00 0.00 O ATOM 0 H SER A 2 -7.524 -10.310 2.709 1.00 0.00 H new ATOM 0 HA SER A 2 -9.659 -8.355 2.083 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.333 -7.473 4.351 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.712 -8.555 4.370 1.00 0.00 H new ATOM 0 HG SER A 2 -7.887 -9.438 5.522 1.00 0.00 H new ATOM 22 N ALA A 3 -7.402 -7.468 0.686 1.00 0.00 N ATOM 23 CA ALA A 3 -6.495 -6.425 0.144 1.00 0.00 C ATOM 24 C ALA A 3 -7.289 -5.148 -0.120 1.00 0.00 C ATOM 25 O ALA A 3 -6.815 -4.049 0.098 1.00 0.00 O ATOM 26 CB ALA A 3 -5.873 -6.904 -1.159 1.00 0.00 C ATOM 0 H ALA A 3 -7.726 -8.164 0.015 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.706 -6.227 0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.209 -6.133 -1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.303 -7.815 -0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.660 -7.107 -1.885 1.00 0.00 H new ATOM 32 N LYS A 4 -8.505 -5.282 -0.564 1.00 0.00 N ATOM 33 CA LYS A 4 -9.331 -4.073 -0.814 1.00 0.00 C ATOM 34 C LYS A 4 -9.879 -3.603 0.530 1.00 0.00 C ATOM 35 O LYS A 4 -10.003 -2.422 0.790 1.00 0.00 O ATOM 36 CB LYS A 4 -10.474 -4.419 -1.776 1.00 0.00 C ATOM 37 CG LYS A 4 -11.534 -3.305 -1.753 1.00 0.00 C ATOM 38 CD LYS A 4 -12.183 -3.166 -3.137 1.00 0.00 C ATOM 39 CE LYS A 4 -11.141 -2.702 -4.171 1.00 0.00 C ATOM 40 NZ LYS A 4 -9.975 -2.085 -3.478 1.00 0.00 N ATOM 0 H LYS A 4 -8.961 -6.172 -0.764 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.737 -3.281 -1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.085 -4.542 -2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.926 -5.369 -1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.295 -3.532 -1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.074 -2.361 -1.462 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.610 -4.121 -3.444 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.004 -2.450 -3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.811 -3.549 -4.772 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.591 -1.982 -4.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.511 -1.407 -4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.301 -1.589 -2.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.298 -2.827 -3.210 1.00 0.00 H new ATOM 54 N ARG A 5 -10.184 -4.530 1.396 1.00 0.00 N ATOM 55 CA ARG A 5 -10.697 -4.162 2.742 1.00 0.00 C ATOM 56 C ARG A 5 -9.647 -3.314 3.449 1.00 0.00 C ATOM 57 O ARG A 5 -9.922 -2.250 3.961 1.00 0.00 O ATOM 58 CB ARG A 5 -10.912 -5.435 3.555 1.00 0.00 C ATOM 59 CG ARG A 5 -11.741 -5.114 4.805 1.00 0.00 C ATOM 60 CD ARG A 5 -11.935 -6.383 5.650 1.00 0.00 C ATOM 61 NE ARG A 5 -11.519 -6.135 7.069 1.00 0.00 N ATOM 62 CZ ARG A 5 -10.369 -5.583 7.357 1.00 0.00 C ATOM 63 NH1 ARG A 5 -9.516 -5.301 6.411 1.00 0.00 N ATOM 64 NH2 ARG A 5 -10.062 -5.332 8.602 1.00 0.00 N ATOM 0 H ARG A 5 -10.099 -5.532 1.226 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.633 -3.612 2.646 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.424 -6.183 2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.951 -5.861 3.843 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.240 -4.347 5.396 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.711 -4.710 4.514 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.980 -6.692 5.619 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.349 -7.200 5.230 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.147 -6.403 7.827 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -9.744 -5.511 5.439 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -8.621 -4.870 6.643 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.719 -5.567 9.346 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.166 -4.902 8.829 1.00 0.00 H new ATOM 78 N VAL A 6 -8.437 -3.795 3.477 1.00 0.00 N ATOM 79 CA VAL A 6 -7.350 -3.046 4.148 1.00 0.00 C ATOM 80 C VAL A 6 -7.204 -1.684 3.461 1.00 0.00 C ATOM 81 O VAL A 6 -7.063 -0.661 4.102 1.00 0.00 O ATOM 82 CB VAL A 6 -6.050 -3.874 4.035 1.00 0.00 C ATOM 83 CG1 VAL A 6 -5.145 -3.322 2.938 1.00 0.00 C ATOM 84 CG2 VAL A 6 -5.308 -3.873 5.379 1.00 0.00 C ATOM 0 H VAL A 6 -8.156 -4.682 3.059 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.569 -2.881 5.203 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.318 -4.898 3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.237 -3.922 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.668 -3.359 1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.883 -2.289 3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.393 -4.459 5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.058 -2.849 5.656 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.946 -4.311 6.147 1.00 0.00 H new ATOM 94 N PHE A 7 -7.243 -1.672 2.159 1.00 0.00 N ATOM 95 CA PHE A 7 -7.114 -0.379 1.432 1.00 0.00 C ATOM 96 C PHE A 7 -8.272 0.543 1.844 1.00 0.00 C ATOM 97 O PHE A 7 -8.062 1.686 2.189 1.00 0.00 O ATOM 98 CB PHE A 7 -7.120 -0.619 -0.086 1.00 0.00 C ATOM 99 CG PHE A 7 -7.340 0.673 -0.857 1.00 0.00 C ATOM 100 CD1 PHE A 7 -7.189 1.930 -0.248 1.00 0.00 C ATOM 101 CD2 PHE A 7 -7.728 0.609 -2.199 1.00 0.00 C ATOM 102 CE1 PHE A 7 -7.430 3.093 -0.974 1.00 0.00 C ATOM 103 CE2 PHE A 7 -7.952 1.782 -2.918 1.00 0.00 C ATOM 104 CZ PHE A 7 -7.805 3.022 -2.302 1.00 0.00 C ATOM 0 H PHE A 7 -7.358 -2.496 1.569 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.168 0.097 1.691 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.173 -1.066 -0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.905 -1.332 -0.339 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -6.885 1.994 0.786 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.854 -0.350 -2.679 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.323 4.056 -0.497 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.241 1.729 -3.957 1.00 0.00 H new ATOM 0 HZ PHE A 7 -7.984 3.928 -2.862 1.00 0.00 H new ATOM 114 N GLU A 8 -9.488 0.073 1.841 1.00 0.00 N ATOM 115 CA GLU A 8 -10.602 0.972 2.255 1.00 0.00 C ATOM 116 C GLU A 8 -10.224 1.620 3.593 1.00 0.00 C ATOM 117 O GLU A 8 -10.400 2.806 3.795 1.00 0.00 O ATOM 118 CB GLU A 8 -11.914 0.163 2.360 1.00 0.00 C ATOM 119 CG GLU A 8 -12.278 -0.150 3.820 1.00 0.00 C ATOM 120 CD GLU A 8 -12.783 1.119 4.511 1.00 0.00 C ATOM 121 OE1 GLU A 8 -13.251 2.004 3.815 1.00 0.00 O ATOM 122 OE2 GLU A 8 -12.696 1.182 5.727 1.00 0.00 O ATOM 0 H GLU A 8 -9.756 -0.875 1.576 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.763 1.757 1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.725 0.724 1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.812 -0.769 1.803 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.044 -0.924 3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.407 -0.540 4.346 1.00 0.00 H new ATOM 129 N LYS A 9 -9.704 0.845 4.502 1.00 0.00 N ATOM 130 CA LYS A 9 -9.312 1.398 5.823 1.00 0.00 C ATOM 131 C LYS A 9 -8.232 2.470 5.618 1.00 0.00 C ATOM 132 O LYS A 9 -8.221 3.484 6.288 1.00 0.00 O ATOM 133 CB LYS A 9 -8.793 0.254 6.711 1.00 0.00 C ATOM 134 CG LYS A 9 -7.800 0.771 7.761 1.00 0.00 C ATOM 135 CD LYS A 9 -8.476 1.806 8.675 1.00 0.00 C ATOM 136 CE LYS A 9 -9.106 1.100 9.877 1.00 0.00 C ATOM 137 NZ LYS A 9 -8.036 0.696 10.834 1.00 0.00 N ATOM 0 H LYS A 9 -9.533 -0.154 4.384 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.169 1.859 6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.632 -0.232 7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.310 -0.501 6.090 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.426 -0.061 8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.939 1.221 7.266 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.744 2.539 9.014 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.239 2.351 8.120 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.818 1.763 10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.663 0.223 9.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.447 0.567 11.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.607 -0.197 10.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.307 1.436 10.872 1.00 0.00 H new ATOM 151 N PHE A 10 -7.323 2.261 4.698 1.00 0.00 N ATOM 152 CA PHE A 10 -6.258 3.277 4.458 1.00 0.00 C ATOM 153 C PHE A 10 -6.730 4.303 3.447 1.00 0.00 C ATOM 154 O PHE A 10 -6.203 5.394 3.395 1.00 0.00 O ATOM 155 CB PHE A 10 -5.001 2.598 3.940 1.00 0.00 C ATOM 156 CG PHE A 10 -4.684 1.399 4.808 1.00 0.00 C ATOM 157 CD1 PHE A 10 -4.681 1.530 6.203 1.00 0.00 C ATOM 158 CD2 PHE A 10 -4.372 0.164 4.223 1.00 0.00 C ATOM 159 CE1 PHE A 10 -4.374 0.430 7.012 1.00 0.00 C ATOM 160 CE2 PHE A 10 -4.061 -0.935 5.036 1.00 0.00 C ATOM 161 CZ PHE A 10 -4.063 -0.800 6.429 1.00 0.00 C ATOM 0 H PHE A 10 -7.274 1.432 4.105 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.037 3.779 5.400 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.143 2.285 2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.166 3.298 3.949 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.916 2.482 6.655 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.371 0.059 3.148 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.378 0.533 8.087 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.820 -1.887 4.587 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.824 -1.648 7.054 1.00 0.00 H new ATOM 171 N ASP A 11 -7.718 4.000 2.648 1.00 0.00 N ATOM 172 CA ASP A 11 -8.183 5.022 1.681 1.00 0.00 C ATOM 173 C ASP A 11 -8.503 6.274 2.474 1.00 0.00 C ATOM 174 O ASP A 11 -9.635 6.575 2.801 1.00 0.00 O ATOM 175 CB ASP A 11 -9.415 4.517 0.930 1.00 0.00 C ATOM 176 CG ASP A 11 -9.542 5.254 -0.405 1.00 0.00 C ATOM 177 OD1 ASP A 11 -8.963 6.320 -0.529 1.00 0.00 O ATOM 178 OD2 ASP A 11 -10.219 4.739 -1.281 1.00 0.00 O ATOM 0 H ASP A 11 -8.211 3.107 2.625 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.417 5.234 0.935 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.333 3.444 0.758 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.310 4.676 1.531 1.00 0.00 H new ATOM 183 N LYS A 12 -7.477 6.990 2.776 1.00 0.00 N ATOM 184 CA LYS A 12 -7.588 8.242 3.549 1.00 0.00 C ATOM 185 C LYS A 12 -7.982 9.371 2.603 1.00 0.00 C ATOM 186 O LYS A 12 -8.341 10.458 3.012 1.00 0.00 O ATOM 187 CB LYS A 12 -6.216 8.485 4.169 1.00 0.00 C ATOM 188 CG LYS A 12 -5.695 9.881 3.840 1.00 0.00 C ATOM 189 CD LYS A 12 -4.339 10.060 4.523 1.00 0.00 C ATOM 190 CE LYS A 12 -3.386 10.830 3.602 1.00 0.00 C ATOM 191 NZ LYS A 12 -2.300 11.446 4.416 1.00 0.00 N ATOM 0 H LYS A 12 -6.523 6.750 2.508 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.346 8.188 4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.277 8.364 5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.512 7.737 3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.596 10.005 2.762 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.397 10.640 4.185 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.464 10.598 5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.914 9.086 4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.960 10.158 2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.932 11.602 3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.653 11.969 3.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.715 12.100 5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.774 10.700 4.914 1.00 0.00 H new ATOM 205 N ASN A 13 -7.952 9.092 1.335 1.00 0.00 N ATOM 206 CA ASN A 13 -8.357 10.103 0.314 1.00 0.00 C ATOM 207 C ASN A 13 -9.575 9.568 -0.450 1.00 0.00 C ATOM 208 O ASN A 13 -9.916 10.056 -1.509 1.00 0.00 O ATOM 209 CB ASN A 13 -7.203 10.334 -0.663 1.00 0.00 C ATOM 210 CG ASN A 13 -6.599 8.987 -1.068 1.00 0.00 C ATOM 211 OD1 ASN A 13 -7.297 8.115 -1.546 1.00 0.00 O ATOM 212 ND2 ASN A 13 -5.321 8.781 -0.898 1.00 0.00 N ATOM 0 H ASN A 13 -7.660 8.193 0.952 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.607 11.045 0.802 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.560 10.864 -1.546 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.441 10.962 -0.201 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.908 7.888 -1.167 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.735 9.513 -0.497 1.00 0.00 H new ATOM 219 N LYS A 14 -10.222 8.557 0.090 1.00 0.00 N ATOM 220 CA LYS A 14 -11.415 7.963 -0.595 1.00 0.00 C ATOM 221 C LYS A 14 -11.254 8.206 -2.090 1.00 0.00 C ATOM 222 O LYS A 14 -12.120 8.730 -2.763 1.00 0.00 O ATOM 223 CB LYS A 14 -12.694 8.632 -0.090 1.00 0.00 C ATOM 224 CG LYS A 14 -12.602 8.838 1.424 1.00 0.00 C ATOM 225 CD LYS A 14 -13.912 9.437 1.938 1.00 0.00 C ATOM 226 CE LYS A 14 -13.984 9.287 3.458 1.00 0.00 C ATOM 227 NZ LYS A 14 -14.343 7.882 3.803 1.00 0.00 N ATOM 0 H LYS A 14 -9.973 8.119 0.977 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.485 6.895 -0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.837 9.590 -0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.559 8.014 -0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.405 7.887 1.920 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.769 9.500 1.662 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.974 10.490 1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.760 8.935 1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.025 9.549 3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.725 9.974 3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.655 7.837 4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.112 7.558 3.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.512 7.270 3.674 1.00 0.00 H new ATOM 241 N ASP A 15 -10.103 7.864 -2.579 1.00 0.00 N ATOM 242 CA ASP A 15 -9.781 8.100 -4.000 1.00 0.00 C ATOM 243 C ASP A 15 -9.776 6.793 -4.763 1.00 0.00 C ATOM 244 O ASP A 15 -10.048 6.775 -5.947 1.00 0.00 O ATOM 245 CB ASP A 15 -8.401 8.753 -4.101 1.00 0.00 C ATOM 246 CG ASP A 15 -8.230 9.377 -5.488 1.00 0.00 C ATOM 247 OD1 ASP A 15 -9.119 9.207 -6.306 1.00 0.00 O ATOM 248 OD2 ASP A 15 -7.214 10.014 -5.707 1.00 0.00 O ATOM 0 H ASP A 15 -9.358 7.422 -2.040 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.537 8.756 -4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.292 9.517 -3.331 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.622 8.011 -3.926 1.00 0.00 H new ATOM 253 N GLY A 16 -9.420 5.696 -4.146 1.00 0.00 N ATOM 254 CA GLY A 16 -9.354 4.434 -4.916 1.00 0.00 C ATOM 255 C GLY A 16 -7.894 4.236 -5.244 1.00 0.00 C ATOM 256 O GLY A 16 -7.516 3.398 -6.033 1.00 0.00 O ATOM 0 H GLY A 16 -9.177 5.626 -3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.742 3.598 -4.333 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.955 4.496 -5.823 1.00 0.00 H new ATOM 260 N LYS A 17 -7.074 5.011 -4.579 1.00 0.00 N ATOM 261 CA LYS A 17 -5.614 4.908 -4.757 1.00 0.00 C ATOM 262 C LYS A 17 -4.900 5.368 -3.500 1.00 0.00 C ATOM 263 O LYS A 17 -5.327 6.261 -2.795 1.00 0.00 O ATOM 264 CB LYS A 17 -5.124 5.768 -5.897 1.00 0.00 C ATOM 265 CG LYS A 17 -5.831 5.409 -7.213 1.00 0.00 C ATOM 266 CD LYS A 17 -7.029 6.338 -7.425 1.00 0.00 C ATOM 267 CE LYS A 17 -6.536 7.687 -7.960 1.00 0.00 C ATOM 268 NZ LYS A 17 -6.382 7.607 -9.439 1.00 0.00 N ATOM 0 H LYS A 17 -7.372 5.721 -3.910 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.398 3.862 -4.973 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.298 6.818 -5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.048 5.641 -6.014 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.136 5.500 -8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.163 4.371 -7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.731 5.890 -8.128 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.564 6.480 -6.486 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.243 8.474 -7.699 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.584 7.948 -7.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.047 8.522 -9.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.692 6.866 -9.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.299 7.377 -9.872 1.00 0.00 H new ATOM 282 N LEU A 18 -3.792 4.757 -3.251 1.00 0.00 N ATOM 283 CA LEU A 18 -2.961 5.106 -2.082 1.00 0.00 C ATOM 284 C LEU A 18 -1.624 5.613 -2.528 1.00 0.00 C ATOM 285 O LEU A 18 -1.155 5.306 -3.588 1.00 0.00 O ATOM 286 CB LEU A 18 -2.719 3.904 -1.250 1.00 0.00 C ATOM 287 CG LEU A 18 -3.558 3.977 -0.005 1.00 0.00 C ATOM 288 CD1 LEU A 18 -5.026 3.855 -0.325 1.00 0.00 C ATOM 289 CD2 LEU A 18 -3.123 2.850 0.896 1.00 0.00 C ATOM 0 H LEU A 18 -3.414 4.005 -3.827 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.492 5.870 -1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.964 3.004 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.663 3.838 -0.986 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.418 4.942 0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.605 3.912 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.322 4.666 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.214 2.899 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.711 2.870 1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.276 1.898 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.067 2.966 1.140 1.00 0.00 H new ATOM 301 N SER A 19 -0.995 6.346 -1.688 1.00 0.00 N ATOM 302 CA SER A 19 0.345 6.869 -1.997 1.00 0.00 C ATOM 303 C SER A 19 1.341 6.062 -1.201 1.00 0.00 C ATOM 304 O SER A 19 1.017 5.511 -0.167 1.00 0.00 O ATOM 305 CB SER A 19 0.428 8.318 -1.555 1.00 0.00 C ATOM 306 OG SER A 19 -0.743 9.008 -1.972 1.00 0.00 O ATOM 0 H SER A 19 -1.359 6.615 -0.774 1.00 0.00 H new ATOM 0 HA SER A 19 0.549 6.802 -3.066 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.529 8.374 -0.471 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.313 8.790 -1.982 1.00 0.00 H new ATOM 0 HG SER A 19 -0.691 9.944 -1.685 1.00 0.00 H new ATOM 312 N LEU A 20 2.553 5.999 -1.639 1.00 0.00 N ATOM 313 CA LEU A 20 3.549 5.248 -0.866 1.00 0.00 C ATOM 314 C LEU A 20 3.466 5.770 0.544 1.00 0.00 C ATOM 315 O LEU A 20 3.775 5.110 1.511 1.00 0.00 O ATOM 316 CB LEU A 20 4.916 5.541 -1.463 1.00 0.00 C ATOM 317 CG LEU A 20 5.982 4.603 -0.908 1.00 0.00 C ATOM 318 CD1 LEU A 20 6.677 5.264 0.263 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.380 3.276 -0.445 1.00 0.00 C ATOM 0 H LEU A 20 2.894 6.434 -2.496 1.00 0.00 H new ATOM 0 HA LEU A 20 3.380 4.171 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.870 5.440 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.193 6.574 -1.251 1.00 0.00 H new ATOM 0 HG LEU A 20 6.693 4.396 -1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.439 4.593 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.146 6.191 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.947 5.485 1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.170 2.634 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.646 3.463 0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.894 2.783 -1.287 1.00 0.00 H new ATOM 331 N ASP A 21 2.980 6.952 0.629 1.00 0.00 N ATOM 332 CA ASP A 21 2.777 7.594 1.943 1.00 0.00 C ATOM 333 C ASP A 21 1.702 6.815 2.715 1.00 0.00 C ATOM 334 O ASP A 21 1.867 6.540 3.887 1.00 0.00 O ATOM 335 CB ASP A 21 2.324 9.045 1.745 1.00 0.00 C ATOM 336 CG ASP A 21 2.636 9.856 3.005 1.00 0.00 C ATOM 337 OD1 ASP A 21 3.801 10.146 3.225 1.00 0.00 O ATOM 338 OD2 ASP A 21 1.707 10.174 3.728 1.00 0.00 O ATOM 0 H ASP A 21 2.706 7.521 -0.172 1.00 0.00 H new ATOM 0 HA ASP A 21 3.711 7.589 2.505 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.832 9.481 0.885 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.255 9.078 1.535 1.00 0.00 H new ATOM 343 N GLU A 22 0.590 6.457 2.095 1.00 0.00 N ATOM 344 CA GLU A 22 -0.451 5.717 2.850 1.00 0.00 C ATOM 345 C GLU A 22 -0.005 4.271 3.075 1.00 0.00 C ATOM 346 O GLU A 22 -0.177 3.718 4.138 1.00 0.00 O ATOM 347 CB GLU A 22 -1.759 5.718 2.074 1.00 0.00 C ATOM 348 CG GLU A 22 -2.914 5.521 3.058 1.00 0.00 C ATOM 349 CD GLU A 22 -3.098 6.799 3.876 1.00 0.00 C ATOM 350 OE1 GLU A 22 -2.558 7.815 3.475 1.00 0.00 O ATOM 351 OE2 GLU A 22 -3.771 6.738 4.892 1.00 0.00 O ATOM 0 H GLU A 22 0.374 6.647 1.117 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.598 6.209 3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.878 6.658 1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.757 4.922 1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.831 5.285 2.519 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.706 4.679 3.718 1.00 0.00 H new ATOM 358 N PHE A 23 0.594 3.672 2.084 1.00 0.00 N ATOM 359 CA PHE A 23 1.087 2.287 2.216 1.00 0.00 C ATOM 360 C PHE A 23 2.293 2.308 3.161 1.00 0.00 C ATOM 361 O PHE A 23 2.631 1.319 3.774 1.00 0.00 O ATOM 362 CB PHE A 23 1.503 1.775 0.855 1.00 0.00 C ATOM 363 CG PHE A 23 2.106 0.393 0.961 1.00 0.00 C ATOM 364 CD1 PHE A 23 1.365 -0.659 1.508 1.00 0.00 C ATOM 365 CD2 PHE A 23 3.408 0.167 0.504 1.00 0.00 C ATOM 366 CE1 PHE A 23 1.927 -1.938 1.600 1.00 0.00 C ATOM 367 CE2 PHE A 23 3.971 -1.111 0.595 1.00 0.00 C ATOM 368 CZ PHE A 23 3.231 -2.164 1.146 1.00 0.00 C ATOM 0 H PHE A 23 0.762 4.099 1.173 1.00 0.00 H new ATOM 0 HA PHE A 23 0.311 1.633 2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.638 1.749 0.192 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.226 2.459 0.410 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.359 -0.485 1.860 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.980 0.979 0.080 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.354 -2.750 2.022 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.976 -1.285 0.240 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.666 -3.150 1.221 1.00 0.00 H new ATOM 378 N ARG A 24 2.928 3.454 3.301 1.00 0.00 N ATOM 379 CA ARG A 24 4.090 3.591 4.231 1.00 0.00 C ATOM 380 C ARG A 24 3.537 3.746 5.650 1.00 0.00 C ATOM 381 O ARG A 24 4.091 3.255 6.609 1.00 0.00 O ATOM 382 CB ARG A 24 4.891 4.832 3.819 1.00 0.00 C ATOM 383 CG ARG A 24 5.964 5.153 4.852 1.00 0.00 C ATOM 384 CD ARG A 24 7.056 4.090 4.811 1.00 0.00 C ATOM 385 NE ARG A 24 8.224 4.532 5.641 1.00 0.00 N ATOM 386 CZ ARG A 24 8.801 5.691 5.450 1.00 0.00 C ATOM 387 NH1 ARG A 24 8.484 6.425 4.418 1.00 0.00 N ATOM 388 NH2 ARG A 24 9.736 6.091 6.267 1.00 0.00 N ATOM 0 H ARG A 24 2.683 4.308 2.801 1.00 0.00 H new ATOM 0 HA ARG A 24 4.745 2.721 4.193 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.355 4.664 2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.219 5.684 3.709 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.392 6.135 4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.522 5.195 5.848 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.669 3.143 5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.373 3.920 3.782 1.00 0.00 H new ATOM 0 HE ARG A 24 8.577 3.915 6.372 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.783 6.096 3.754 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.938 7.327 4.275 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.015 5.501 7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.188 6.994 6.122 1.00 0.00 H new ATOM 402 N GLU A 25 2.397 4.368 5.758 1.00 0.00 N ATOM 403 CA GLU A 25 1.741 4.498 7.085 1.00 0.00 C ATOM 404 C GLU A 25 1.165 3.120 7.369 1.00 0.00 C ATOM 405 O GLU A 25 1.182 2.607 8.471 1.00 0.00 O ATOM 406 CB GLU A 25 0.621 5.540 7.015 1.00 0.00 C ATOM 407 CG GLU A 25 -0.246 5.440 8.269 1.00 0.00 C ATOM 408 CD GLU A 25 -0.952 6.774 8.518 1.00 0.00 C ATOM 409 OE1 GLU A 25 -2.046 6.947 8.007 1.00 0.00 O ATOM 410 OE2 GLU A 25 -0.386 7.600 9.215 1.00 0.00 O ATOM 0 H GLU A 25 1.891 4.793 4.981 1.00 0.00 H new ATOM 0 HA GLU A 25 2.433 4.822 7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.045 6.541 6.932 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.013 5.377 6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.982 4.645 8.151 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.371 5.178 9.129 1.00 0.00 H new ATOM 417 N VAL A 26 0.694 2.524 6.319 1.00 0.00 N ATOM 418 CA VAL A 26 0.122 1.157 6.339 1.00 0.00 C ATOM 419 C VAL A 26 1.222 0.171 6.691 1.00 0.00 C ATOM 420 O VAL A 26 1.049 -0.757 7.456 1.00 0.00 O ATOM 421 CB VAL A 26 -0.297 0.887 4.894 1.00 0.00 C ATOM 422 CG1 VAL A 26 -0.079 -0.567 4.481 1.00 0.00 C ATOM 423 CG2 VAL A 26 -1.736 1.250 4.663 1.00 0.00 C ATOM 0 H VAL A 26 0.682 2.956 5.395 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.697 1.062 7.051 1.00 0.00 H new ATOM 0 HB VAL A 26 0.343 1.518 4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.393 -0.702 3.446 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.978 -0.817 4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.666 -1.221 5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.001 1.046 3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.371 0.659 5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.882 2.310 4.873 1.00 0.00 H new ATOM 433 N ALA A 27 2.343 0.370 6.077 1.00 0.00 N ATOM 434 CA ALA A 27 3.489 -0.536 6.276 1.00 0.00 C ATOM 435 C ALA A 27 4.102 -0.277 7.649 1.00 0.00 C ATOM 436 O ALA A 27 4.614 -1.162 8.299 1.00 0.00 O ATOM 437 CB ALA A 27 4.523 -0.276 5.174 1.00 0.00 C ATOM 0 H ALA A 27 2.515 1.140 5.431 1.00 0.00 H new ATOM 0 HA ALA A 27 3.163 -1.575 6.226 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.376 -0.941 5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.071 -0.462 4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.858 0.760 5.227 1.00 0.00 H new ATOM 443 N LEU A 28 4.043 0.941 8.083 1.00 0.00 N ATOM 444 CA LEU A 28 4.609 1.292 9.411 1.00 0.00 C ATOM 445 C LEU A 28 3.600 0.941 10.497 1.00 0.00 C ATOM 446 O LEU A 28 3.962 0.648 11.619 1.00 0.00 O ATOM 447 CB LEU A 28 4.886 2.796 9.466 1.00 0.00 C ATOM 448 CG LEU A 28 6.279 3.133 8.892 1.00 0.00 C ATOM 449 CD1 LEU A 28 6.694 2.134 7.800 1.00 0.00 C ATOM 450 CD2 LEU A 28 6.244 4.545 8.294 1.00 0.00 C ATOM 0 H LEU A 28 3.624 1.719 7.573 1.00 0.00 H new ATOM 0 HA LEU A 28 5.535 0.738 9.567 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.120 3.329 8.903 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.822 3.142 10.498 1.00 0.00 H new ATOM 0 HG LEU A 28 7.007 3.075 9.701 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.679 2.401 7.418 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.728 1.129 8.220 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.969 2.163 6.986 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.224 4.792 7.886 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.499 4.585 7.499 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.983 5.263 9.072 1.00 0.00 H new ATOM 462 N ALA A 29 2.335 0.995 10.190 1.00 0.00 N ATOM 463 CA ALA A 29 1.295 0.702 11.210 1.00 0.00 C ATOM 464 C ALA A 29 1.141 -0.805 11.474 1.00 0.00 C ATOM 465 O ALA A 29 1.283 -1.261 12.592 1.00 0.00 O ATOM 466 CB ALA A 29 -0.030 1.245 10.677 1.00 0.00 C ATOM 0 H ALA A 29 1.975 1.232 9.266 1.00 0.00 H new ATOM 0 HA ALA A 29 1.586 1.168 12.151 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.821 1.048 11.400 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.056 2.320 10.516 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.271 0.755 9.734 1.00 0.00 H new ATOM 472 N PHE A 30 0.798 -1.570 10.471 1.00 0.00 N ATOM 473 CA PHE A 30 0.572 -3.035 10.688 1.00 0.00 C ATOM 474 C PHE A 30 1.866 -3.838 10.514 1.00 0.00 C ATOM 475 O PHE A 30 2.174 -4.702 11.311 1.00 0.00 O ATOM 476 CB PHE A 30 -0.478 -3.532 9.680 1.00 0.00 C ATOM 477 CG PHE A 30 -1.582 -4.265 10.408 1.00 0.00 C ATOM 478 CD1 PHE A 30 -2.437 -3.567 11.270 1.00 0.00 C ATOM 479 CD2 PHE A 30 -1.753 -5.643 10.221 1.00 0.00 C ATOM 480 CE1 PHE A 30 -3.458 -4.243 11.945 1.00 0.00 C ATOM 481 CE2 PHE A 30 -2.776 -6.320 10.896 1.00 0.00 C ATOM 482 CZ PHE A 30 -3.629 -5.620 11.757 1.00 0.00 C ATOM 0 H PHE A 30 0.664 -1.248 9.513 1.00 0.00 H new ATOM 0 HA PHE A 30 0.223 -3.181 11.710 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.892 -2.689 9.127 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.010 -4.193 8.950 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.307 -2.504 11.414 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.095 -6.183 9.556 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.115 -3.703 12.611 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.907 -7.382 10.752 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.419 -6.142 12.276 1.00 0.00 H new ATOM 492 N SER A 31 2.618 -3.577 9.479 1.00 0.00 N ATOM 493 CA SER A 31 3.881 -4.345 9.257 1.00 0.00 C ATOM 494 C SER A 31 5.084 -3.422 9.456 1.00 0.00 C ATOM 495 O SER A 31 5.760 -3.063 8.512 1.00 0.00 O ATOM 496 CB SER A 31 3.886 -4.892 7.830 1.00 0.00 C ATOM 497 OG SER A 31 4.251 -3.855 6.929 1.00 0.00 O ATOM 0 H SER A 31 2.414 -2.866 8.777 1.00 0.00 H new ATOM 0 HA SER A 31 3.941 -5.169 9.968 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.587 -5.723 7.749 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.900 -5.281 7.574 1.00 0.00 H new ATOM 0 HG SER A 31 5.220 -3.714 6.968 1.00 0.00 H new ATOM 503 N PRO A 32 5.351 -3.029 10.678 1.00 0.00 N ATOM 504 CA PRO A 32 6.486 -2.117 10.993 1.00 0.00 C ATOM 505 C PRO A 32 7.834 -2.667 10.523 1.00 0.00 C ATOM 506 O PRO A 32 8.789 -1.930 10.371 1.00 0.00 O ATOM 507 CB PRO A 32 6.457 -1.983 12.526 1.00 0.00 C ATOM 508 CG PRO A 32 5.592 -3.099 13.015 1.00 0.00 C ATOM 509 CD PRO A 32 4.612 -3.414 11.888 1.00 0.00 C ATOM 0 HA PRO A 32 6.378 -1.162 10.478 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.461 -2.054 12.944 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.055 -1.016 12.827 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.192 -3.975 13.263 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.061 -2.809 13.921 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.341 -4.470 11.875 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.686 -2.848 11.991 1.00 0.00 H new ATOM 517 N TYR A 33 7.936 -3.948 10.301 1.00 0.00 N ATOM 518 CA TYR A 33 9.236 -4.517 9.855 1.00 0.00 C ATOM 519 C TYR A 33 9.476 -4.206 8.375 1.00 0.00 C ATOM 520 O TYR A 33 10.541 -4.463 7.851 1.00 0.00 O ATOM 521 CB TYR A 33 9.219 -6.033 10.058 1.00 0.00 C ATOM 522 CG TYR A 33 8.755 -6.347 11.460 1.00 0.00 C ATOM 523 CD1 TYR A 33 9.652 -6.260 12.530 1.00 0.00 C ATOM 524 CD2 TYR A 33 7.426 -6.724 11.690 1.00 0.00 C ATOM 525 CE1 TYR A 33 9.223 -6.551 13.830 1.00 0.00 C ATOM 526 CE2 TYR A 33 6.995 -7.014 12.990 1.00 0.00 C ATOM 527 CZ TYR A 33 7.894 -6.928 14.060 1.00 0.00 C ATOM 528 OH TYR A 33 7.471 -7.214 15.343 1.00 0.00 O ATOM 0 H TYR A 33 7.178 -4.622 10.409 1.00 0.00 H new ATOM 0 HA TYR A 33 10.038 -4.071 10.443 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.556 -6.501 9.330 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.215 -6.444 9.892 1.00 0.00 H new ATOM 0 HD1 TYR A 33 10.677 -5.968 12.353 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.733 -6.791 10.864 1.00 0.00 H new ATOM 0 HE1 TYR A 33 9.916 -6.485 14.655 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.970 -7.304 13.167 1.00 0.00 H new ATOM 0 HH TYR A 33 6.522 -7.457 15.328 1.00 0.00 H new ATOM 538 N PHE A 34 8.510 -3.653 7.688 1.00 0.00 N ATOM 539 CA PHE A 34 8.739 -3.342 6.245 1.00 0.00 C ATOM 540 C PHE A 34 9.796 -2.270 6.140 1.00 0.00 C ATOM 541 O PHE A 34 9.658 -1.180 6.660 1.00 0.00 O ATOM 542 CB PHE A 34 7.452 -2.834 5.565 1.00 0.00 C ATOM 543 CG PHE A 34 6.913 -3.870 4.604 1.00 0.00 C ATOM 544 CD1 PHE A 34 6.218 -4.974 5.098 1.00 0.00 C ATOM 545 CD2 PHE A 34 7.103 -3.725 3.221 1.00 0.00 C ATOM 546 CE1 PHE A 34 5.711 -5.938 4.220 1.00 0.00 C ATOM 547 CE2 PHE A 34 6.596 -4.687 2.341 1.00 0.00 C ATOM 548 CZ PHE A 34 5.900 -5.795 2.840 1.00 0.00 C ATOM 0 H PHE A 34 7.590 -3.407 8.054 1.00 0.00 H new ATOM 0 HA PHE A 34 9.055 -4.257 5.744 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.701 -2.606 6.321 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.658 -1.907 5.030 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.071 -5.085 6.162 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.641 -2.871 2.836 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.174 -6.792 4.606 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.741 -4.575 1.277 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.509 -6.539 2.161 1.00 0.00 H new ATOM 558 N THR A 35 10.855 -2.574 5.465 1.00 0.00 N ATOM 559 CA THR A 35 11.923 -1.577 5.319 1.00 0.00 C ATOM 560 C THR A 35 11.528 -0.581 4.253 1.00 0.00 C ATOM 561 O THR A 35 10.920 -0.913 3.258 1.00 0.00 O ATOM 562 CB THR A 35 13.224 -2.268 4.944 1.00 0.00 C ATOM 563 OG1 THR A 35 12.989 -3.654 4.738 1.00 0.00 O ATOM 564 CG2 THR A 35 14.194 -2.074 6.090 1.00 0.00 C ATOM 0 H THR A 35 11.024 -3.471 5.009 1.00 0.00 H new ATOM 0 HA THR A 35 12.070 -1.052 6.263 1.00 0.00 H new ATOM 0 HB THR A 35 13.631 -1.847 4.025 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.829 -4.096 4.495 1.00 0.00 H new ATOM 0 HG21 THR A 35 15.140 -2.559 5.852 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.362 -1.009 6.248 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.779 -2.514 6.997 1.00 0.00 H new ATOM 572 N GLN A 36 11.866 0.644 4.467 1.00 0.00 N ATOM 573 CA GLN A 36 11.511 1.693 3.497 1.00 0.00 C ATOM 574 C GLN A 36 11.957 1.290 2.100 1.00 0.00 C ATOM 575 O GLN A 36 11.331 1.631 1.128 1.00 0.00 O ATOM 576 CB GLN A 36 12.222 2.969 3.916 1.00 0.00 C ATOM 577 CG GLN A 36 11.651 4.168 3.151 1.00 0.00 C ATOM 578 CD GLN A 36 10.123 4.149 3.190 1.00 0.00 C ATOM 579 OE1 GLN A 36 9.537 3.618 4.108 1.00 0.00 O ATOM 580 NE2 GLN A 36 9.452 4.711 2.222 1.00 0.00 N ATOM 0 H GLN A 36 12.381 0.969 5.285 1.00 0.00 H new ATOM 0 HA GLN A 36 10.431 1.842 3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.105 3.124 4.989 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.291 2.879 3.721 1.00 0.00 H new ATOM 0 HG2 GLN A 36 12.020 5.095 3.589 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.995 4.144 2.117 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.947 5.157 1.450 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.432 4.704 2.237 1.00 0.00 H new ATOM 589 N GLU A 37 13.017 0.547 2.001 1.00 0.00 N ATOM 590 CA GLU A 37 13.484 0.110 0.657 1.00 0.00 C ATOM 591 C GLU A 37 12.517 -0.951 0.131 1.00 0.00 C ATOM 592 O GLU A 37 12.214 -1.003 -1.041 1.00 0.00 O ATOM 593 CB GLU A 37 14.894 -0.476 0.760 1.00 0.00 C ATOM 594 CG GLU A 37 15.909 0.657 0.918 1.00 0.00 C ATOM 595 CD GLU A 37 16.081 1.380 -0.418 1.00 0.00 C ATOM 596 OE1 GLU A 37 16.764 0.843 -1.275 1.00 0.00 O ATOM 597 OE2 GLU A 37 15.527 2.457 -0.563 1.00 0.00 O ATOM 0 H GLU A 37 13.580 0.223 2.787 1.00 0.00 H new ATOM 0 HA GLU A 37 13.511 0.961 -0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.956 -1.155 1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.122 -1.061 -0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.571 1.358 1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.866 0.257 1.253 1.00 0.00 H new ATOM 604 N ASP A 38 12.015 -1.788 0.997 1.00 0.00 N ATOM 605 CA ASP A 38 11.052 -2.831 0.548 1.00 0.00 C ATOM 606 C ASP A 38 9.704 -2.167 0.256 1.00 0.00 C ATOM 607 O ASP A 38 9.005 -2.534 -0.667 1.00 0.00 O ATOM 608 CB ASP A 38 10.878 -3.876 1.651 1.00 0.00 C ATOM 609 CG ASP A 38 12.178 -4.668 1.811 1.00 0.00 C ATOM 610 OD1 ASP A 38 13.232 -4.053 1.774 1.00 0.00 O ATOM 611 OD2 ASP A 38 12.098 -5.875 1.971 1.00 0.00 O ATOM 0 H ASP A 38 12.230 -1.794 1.994 1.00 0.00 H new ATOM 0 HA ASP A 38 11.428 -3.319 -0.352 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.618 -3.389 2.591 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.057 -4.549 1.403 1.00 0.00 H new ATOM 616 N ILE A 39 9.338 -1.187 1.039 1.00 0.00 N ATOM 617 CA ILE A 39 8.039 -0.486 0.816 1.00 0.00 C ATOM 618 C ILE A 39 8.130 0.342 -0.464 1.00 0.00 C ATOM 619 O ILE A 39 7.252 0.326 -1.293 1.00 0.00 O ATOM 620 CB ILE A 39 7.761 0.462 1.991 1.00 0.00 C ATOM 621 CG1 ILE A 39 7.897 -0.291 3.309 1.00 0.00 C ATOM 622 CG2 ILE A 39 6.337 1.012 1.893 1.00 0.00 C ATOM 623 CD1 ILE A 39 8.118 0.696 4.465 1.00 0.00 C ATOM 0 H ILE A 39 9.885 -0.840 1.827 1.00 0.00 H new ATOM 0 HA ILE A 39 7.240 -1.223 0.734 1.00 0.00 H new ATOM 0 HB ILE A 39 8.480 1.280 1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.000 -0.882 3.493 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.732 -0.989 3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.148 1.684 2.730 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.221 1.558 0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.625 0.187 1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.214 0.145 5.401 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.029 1.268 4.286 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.269 1.376 4.530 1.00 0.00 H new ATOM 635 N VAL A 40 9.189 1.081 -0.599 1.00 0.00 N ATOM 636 CA VAL A 40 9.371 1.937 -1.794 1.00 0.00 C ATOM 637 C VAL A 40 9.783 1.106 -2.993 1.00 0.00 C ATOM 638 O VAL A 40 9.302 1.319 -4.079 1.00 0.00 O ATOM 639 CB VAL A 40 10.429 2.960 -1.482 1.00 0.00 C ATOM 640 CG1 VAL A 40 9.974 3.727 -0.247 1.00 0.00 C ATOM 641 CG2 VAL A 40 11.754 2.253 -1.241 1.00 0.00 C ATOM 0 H VAL A 40 9.948 1.128 0.080 1.00 0.00 H new ATOM 0 HA VAL A 40 8.430 2.429 -2.040 1.00 0.00 H new ATOM 0 HB VAL A 40 10.571 3.656 -2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.720 4.480 0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.021 4.215 -0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.855 3.036 0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.524 2.990 -1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.652 1.565 -0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.037 1.696 -2.134 1.00 0.00 H new ATOM 651 N LYS A 41 10.639 0.138 -2.830 1.00 0.00 N ATOM 652 CA LYS A 41 10.986 -0.677 -4.014 1.00 0.00 C ATOM 653 C LYS A 41 9.683 -1.280 -4.491 1.00 0.00 C ATOM 654 O LYS A 41 9.268 -1.105 -5.617 1.00 0.00 O ATOM 655 CB LYS A 41 11.949 -1.800 -3.619 1.00 0.00 C ATOM 656 CG LYS A 41 12.319 -2.614 -4.861 1.00 0.00 C ATOM 657 CD LYS A 41 13.539 -3.488 -4.555 1.00 0.00 C ATOM 658 CE LYS A 41 13.715 -4.528 -5.663 1.00 0.00 C ATOM 659 NZ LYS A 41 12.707 -5.612 -5.491 1.00 0.00 N ATOM 0 H LYS A 41 11.099 -0.116 -1.955 1.00 0.00 H new ATOM 0 HA LYS A 41 11.470 -0.076 -4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.847 -1.381 -3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.486 -2.445 -2.873 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.478 -3.238 -5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.537 -1.946 -5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 41 14.433 -2.869 -4.478 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.411 -3.984 -3.593 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.597 -4.058 -6.639 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.722 -4.944 -5.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.995 -6.444 -6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.642 -5.870 -4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.779 -5.279 -5.823 1.00 0.00 H new ATOM 673 N PHE A 42 9.036 -1.988 -3.615 1.00 0.00 N ATOM 674 CA PHE A 42 7.750 -2.633 -3.947 1.00 0.00 C ATOM 675 C PHE A 42 6.703 -1.595 -4.367 1.00 0.00 C ATOM 676 O PHE A 42 6.089 -1.724 -5.407 1.00 0.00 O ATOM 677 CB PHE A 42 7.268 -3.378 -2.707 1.00 0.00 C ATOM 678 CG PHE A 42 6.016 -4.140 -3.034 1.00 0.00 C ATOM 679 CD1 PHE A 42 6.025 -5.094 -4.060 1.00 0.00 C ATOM 680 CD2 PHE A 42 4.848 -3.900 -2.310 1.00 0.00 C ATOM 681 CE1 PHE A 42 4.863 -5.806 -4.360 1.00 0.00 C ATOM 682 CE2 PHE A 42 3.687 -4.612 -2.605 1.00 0.00 C ATOM 683 CZ PHE A 42 3.695 -5.566 -3.632 1.00 0.00 C ATOM 0 H PHE A 42 9.356 -2.148 -2.660 1.00 0.00 H new ATOM 0 HA PHE A 42 7.890 -3.318 -4.784 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.041 -4.062 -2.357 1.00 0.00 H new ATOM 0 HB3 PHE A 42 7.076 -2.673 -1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 42 6.931 -5.278 -4.618 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.844 -3.163 -1.521 1.00 0.00 H new ATOM 0 HE1 PHE A 42 4.867 -6.540 -5.152 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.783 -4.429 -2.043 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.795 -6.117 -3.861 1.00 0.00 H new ATOM 693 N PHE A 43 6.485 -0.565 -3.589 1.00 0.00 N ATOM 694 CA PHE A 43 5.470 0.448 -3.999 1.00 0.00 C ATOM 695 C PHE A 43 5.892 1.028 -5.342 1.00 0.00 C ATOM 696 O PHE A 43 5.136 1.074 -6.291 1.00 0.00 O ATOM 697 CB PHE A 43 5.436 1.544 -2.952 1.00 0.00 C ATOM 698 CG PHE A 43 4.575 2.692 -3.415 1.00 0.00 C ATOM 699 CD1 PHE A 43 5.050 3.590 -4.373 1.00 0.00 C ATOM 700 CD2 PHE A 43 3.318 2.885 -2.847 1.00 0.00 C ATOM 701 CE1 PHE A 43 4.261 4.670 -4.762 1.00 0.00 C ATOM 702 CE2 PHE A 43 2.536 3.971 -3.231 1.00 0.00 C ATOM 703 CZ PHE A 43 3.005 4.861 -4.190 1.00 0.00 C ATOM 0 H PHE A 43 6.957 -0.384 -2.703 1.00 0.00 H new ATOM 0 HA PHE A 43 4.481 -0.001 -4.087 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.048 1.147 -2.014 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.448 1.898 -2.755 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.027 3.448 -4.811 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.949 2.190 -2.107 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.624 5.361 -5.509 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.565 4.122 -2.784 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.396 5.700 -4.492 1.00 0.00 H new ATOM 713 N GLU A 44 7.124 1.425 -5.422 1.00 0.00 N ATOM 714 CA GLU A 44 7.640 1.958 -6.709 1.00 0.00 C ATOM 715 C GLU A 44 7.390 0.882 -7.770 1.00 0.00 C ATOM 716 O GLU A 44 7.091 1.164 -8.913 1.00 0.00 O ATOM 717 CB GLU A 44 9.139 2.250 -6.600 1.00 0.00 C ATOM 718 CG GLU A 44 9.369 3.411 -5.622 1.00 0.00 C ATOM 719 CD GLU A 44 9.257 4.743 -6.368 1.00 0.00 C ATOM 720 OE1 GLU A 44 10.190 5.084 -7.075 1.00 0.00 O ATOM 721 OE2 GLU A 44 8.238 5.397 -6.220 1.00 0.00 O ATOM 0 H GLU A 44 7.797 1.405 -4.656 1.00 0.00 H new ATOM 0 HA GLU A 44 7.139 2.890 -6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.669 1.362 -6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.543 2.502 -7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.636 3.371 -4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.353 3.322 -5.162 1.00 0.00 H new ATOM 728 N GLU A 45 7.511 -0.362 -7.376 1.00 0.00 N ATOM 729 CA GLU A 45 7.286 -1.499 -8.311 1.00 0.00 C ATOM 730 C GLU A 45 5.793 -1.734 -8.540 1.00 0.00 C ATOM 731 O GLU A 45 5.370 -2.089 -9.623 1.00 0.00 O ATOM 732 CB GLU A 45 7.861 -2.767 -7.681 1.00 0.00 C ATOM 733 CG GLU A 45 8.367 -3.698 -8.776 1.00 0.00 C ATOM 734 CD GLU A 45 7.219 -4.047 -9.725 1.00 0.00 C ATOM 735 OE1 GLU A 45 6.451 -4.934 -9.394 1.00 0.00 O ATOM 736 OE2 GLU A 45 7.127 -3.420 -10.768 1.00 0.00 O ATOM 0 H GLU A 45 7.761 -0.638 -6.427 1.00 0.00 H new ATOM 0 HA GLU A 45 7.766 -1.264 -9.261 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.675 -2.511 -7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.097 -3.269 -7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.176 -3.220 -9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.776 -4.607 -8.334 1.00 0.00 H new ATOM 743 N ILE A 46 4.992 -1.577 -7.521 1.00 0.00 N ATOM 744 CA ILE A 46 3.536 -1.836 -7.683 1.00 0.00 C ATOM 745 C ILE A 46 2.828 -0.575 -8.178 1.00 0.00 C ATOM 746 O ILE A 46 1.920 -0.649 -8.981 1.00 0.00 O ATOM 747 CB ILE A 46 2.948 -2.324 -6.346 1.00 0.00 C ATOM 748 CG1 ILE A 46 1.981 -3.480 -6.614 1.00 0.00 C ATOM 749 CG2 ILE A 46 2.199 -1.204 -5.643 1.00 0.00 C ATOM 750 CD1 ILE A 46 2.765 -4.761 -6.923 1.00 0.00 C ATOM 0 H ILE A 46 5.282 -1.282 -6.589 1.00 0.00 H new ATOM 0 HA ILE A 46 3.383 -2.615 -8.429 1.00 0.00 H new ATOM 0 HB ILE A 46 3.767 -2.653 -5.706 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.340 -3.637 -5.746 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.329 -3.232 -7.452 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.793 -1.573 -4.701 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.882 -0.378 -5.445 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.384 -0.857 -6.278 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.068 -5.577 -7.112 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.387 -4.603 -7.804 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.398 -5.014 -6.073 1.00 0.00 H new ATOM 762 N ASP A 47 3.252 0.583 -7.757 1.00 0.00 N ATOM 763 CA ASP A 47 2.605 1.814 -8.278 1.00 0.00 C ATOM 764 C ASP A 47 2.979 1.891 -9.750 1.00 0.00 C ATOM 765 O ASP A 47 3.896 2.588 -10.134 1.00 0.00 O ATOM 766 CB ASP A 47 3.141 3.041 -7.533 1.00 0.00 C ATOM 767 CG ASP A 47 2.732 4.313 -8.281 1.00 0.00 C ATOM 768 OD1 ASP A 47 1.651 4.812 -8.014 1.00 0.00 O ATOM 769 OD2 ASP A 47 3.507 4.767 -9.107 1.00 0.00 O ATOM 0 H ASP A 47 4.006 0.728 -7.086 1.00 0.00 H new ATOM 0 HA ASP A 47 1.524 1.790 -8.141 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.748 3.062 -6.516 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.227 2.986 -7.454 1.00 0.00 H new ATOM 774 N VAL A 48 2.317 1.128 -10.574 1.00 0.00 N ATOM 775 CA VAL A 48 2.654 1.077 -12.033 1.00 0.00 C ATOM 776 C VAL A 48 2.140 2.272 -12.815 1.00 0.00 C ATOM 777 O VAL A 48 2.625 2.578 -13.885 1.00 0.00 O ATOM 778 CB VAL A 48 1.933 -0.132 -12.611 1.00 0.00 C ATOM 779 CG1 VAL A 48 0.423 0.000 -12.349 1.00 0.00 C ATOM 780 CG2 VAL A 48 2.164 -0.191 -14.122 1.00 0.00 C ATOM 0 H VAL A 48 1.542 0.525 -10.297 1.00 0.00 H new ATOM 0 HA VAL A 48 3.741 1.049 -12.115 1.00 0.00 H new ATOM 0 HB VAL A 48 2.317 -1.037 -12.140 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.095 -0.865 -12.762 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.243 0.052 -11.275 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.049 0.907 -12.823 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.647 -1.057 -14.536 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.778 0.717 -14.585 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.232 -0.275 -14.324 1.00 0.00 H new ATOM 790 N ASP A 49 1.127 2.897 -12.342 1.00 0.00 N ATOM 791 CA ASP A 49 0.545 4.012 -13.119 1.00 0.00 C ATOM 792 C ASP A 49 1.427 5.237 -12.965 1.00 0.00 C ATOM 793 O ASP A 49 1.338 6.185 -13.721 1.00 0.00 O ATOM 794 CB ASP A 49 -0.881 4.254 -12.626 1.00 0.00 C ATOM 795 CG ASP A 49 -1.047 5.695 -12.142 1.00 0.00 C ATOM 796 OD1 ASP A 49 -0.584 5.982 -11.053 1.00 0.00 O ATOM 797 OD2 ASP A 49 -1.632 6.482 -12.867 1.00 0.00 O ATOM 0 H ASP A 49 0.670 2.692 -11.453 1.00 0.00 H new ATOM 0 HA ASP A 49 0.498 3.775 -14.182 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.589 4.051 -13.430 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.113 3.564 -11.815 1.00 0.00 H new ATOM 802 N GLY A 50 2.309 5.203 -12.019 1.00 0.00 N ATOM 803 CA GLY A 50 3.245 6.327 -11.827 1.00 0.00 C ATOM 804 C GLY A 50 2.537 7.565 -11.274 1.00 0.00 C ATOM 805 O GLY A 50 3.125 8.623 -11.178 1.00 0.00 O ATOM 0 H GLY A 50 2.422 4.432 -11.361 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.039 6.026 -11.144 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.718 6.573 -12.778 1.00 0.00 H new ATOM 809 N ASN A 51 1.301 7.455 -10.879 1.00 0.00 N ATOM 810 CA ASN A 51 0.622 8.646 -10.306 1.00 0.00 C ATOM 811 C ASN A 51 1.147 8.813 -8.891 1.00 0.00 C ATOM 812 O ASN A 51 0.746 9.692 -8.154 1.00 0.00 O ATOM 813 CB ASN A 51 -0.896 8.437 -10.277 1.00 0.00 C ATOM 814 CG ASN A 51 -1.579 9.732 -9.835 1.00 0.00 C ATOM 815 OD1 ASN A 51 -0.966 10.781 -9.822 1.00 0.00 O ATOM 816 ND2 ASN A 51 -2.831 9.703 -9.470 1.00 0.00 N ATOM 0 H ASN A 51 0.739 6.605 -10.927 1.00 0.00 H new ATOM 0 HA ASN A 51 0.823 9.531 -10.910 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.253 8.144 -11.264 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.150 7.627 -9.593 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.296 10.561 -9.174 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.345 8.822 -9.481 1.00 0.00 H new ATOM 823 N GLY A 52 2.057 7.956 -8.517 1.00 0.00 N ATOM 824 CA GLY A 52 2.640 8.028 -7.157 1.00 0.00 C ATOM 825 C GLY A 52 1.666 7.421 -6.152 1.00 0.00 C ATOM 826 O GLY A 52 1.695 7.743 -4.980 1.00 0.00 O ATOM 0 H GLY A 52 2.421 7.205 -9.103 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.589 7.493 -7.128 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.850 9.065 -6.895 1.00 0.00 H new ATOM 830 N GLU A 53 0.777 6.570 -6.597 1.00 0.00 N ATOM 831 CA GLU A 53 -0.212 5.976 -5.651 1.00 0.00 C ATOM 832 C GLU A 53 -0.556 4.539 -6.035 1.00 0.00 C ATOM 833 O GLU A 53 -0.443 4.138 -7.177 1.00 0.00 O ATOM 834 CB GLU A 53 -1.498 6.826 -5.668 1.00 0.00 C ATOM 835 CG GLU A 53 -1.174 8.259 -6.098 1.00 0.00 C ATOM 836 CD GLU A 53 -2.449 9.103 -6.062 1.00 0.00 C ATOM 837 OE1 GLU A 53 -3.142 9.139 -7.065 1.00 0.00 O ATOM 838 OE2 GLU A 53 -2.711 9.698 -5.030 1.00 0.00 O ATOM 0 H GLU A 53 0.694 6.263 -7.566 1.00 0.00 H new ATOM 0 HA GLU A 53 0.229 5.967 -4.654 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.224 6.388 -6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.955 6.829 -4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.422 8.688 -5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.752 8.262 -7.103 1.00 0.00 H new ATOM 845 N LEU A 54 -0.991 3.761 -5.074 1.00 0.00 N ATOM 846 CA LEU A 54 -1.359 2.361 -5.358 1.00 0.00 C ATOM 847 C LEU A 54 -2.737 2.323 -5.985 1.00 0.00 C ATOM 848 O LEU A 54 -3.713 2.728 -5.397 1.00 0.00 O ATOM 849 CB LEU A 54 -1.455 1.594 -4.054 1.00 0.00 C ATOM 850 CG LEU A 54 -0.102 1.426 -3.371 1.00 0.00 C ATOM 851 CD1 LEU A 54 1.082 1.529 -4.352 1.00 0.00 C ATOM 852 CD2 LEU A 54 -0.022 2.481 -2.304 1.00 0.00 C ATOM 0 H LEU A 54 -1.104 4.048 -4.102 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.609 1.928 -6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.136 2.114 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.885 0.611 -4.246 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.027 0.426 -2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.018 1.401 -3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.995 0.751 -5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.072 2.507 -4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.933 2.401 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.106 3.467 -2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.835 2.341 -1.592 1.00 0.00 H new ATOM 864 N ASN A 55 -2.818 1.829 -7.170 1.00 0.00 N ATOM 865 CA ASN A 55 -4.145 1.753 -7.847 1.00 0.00 C ATOM 866 C ASN A 55 -4.909 0.537 -7.330 1.00 0.00 C ATOM 867 O ASN A 55 -4.425 -0.218 -6.510 1.00 0.00 O ATOM 868 CB ASN A 55 -3.985 1.637 -9.365 1.00 0.00 C ATOM 869 CG ASN A 55 -2.538 1.310 -9.720 1.00 0.00 C ATOM 870 OD1 ASN A 55 -1.621 1.960 -9.256 1.00 0.00 O ATOM 871 ND2 ASN A 55 -2.292 0.320 -10.530 1.00 0.00 N ATOM 0 H ASN A 55 -2.030 1.471 -7.710 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.695 2.668 -7.625 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.646 0.860 -9.749 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.282 2.571 -9.841 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.329 0.089 -10.776 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.062 -0.224 -10.919 1.00 0.00 H new ATOM 878 N ALA A 56 -6.111 0.358 -7.805 1.00 0.00 N ATOM 879 CA ALA A 56 -6.958 -0.785 -7.345 1.00 0.00 C ATOM 880 C ALA A 56 -6.325 -2.145 -7.706 1.00 0.00 C ATOM 881 O ALA A 56 -6.054 -2.956 -6.837 1.00 0.00 O ATOM 882 CB ALA A 56 -8.342 -0.632 -7.978 1.00 0.00 C ATOM 0 H ALA A 56 -6.550 0.961 -8.501 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.040 -0.766 -6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.981 -1.455 -7.658 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.783 0.314 -7.664 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.249 -0.646 -9.064 1.00 0.00 H new ATOM 888 N ASP A 57 -6.094 -2.433 -8.955 1.00 0.00 N ATOM 889 CA ASP A 57 -5.496 -3.763 -9.294 1.00 0.00 C ATOM 890 C ASP A 57 -4.143 -3.925 -8.593 1.00 0.00 C ATOM 891 O ASP A 57 -3.820 -4.975 -8.055 1.00 0.00 O ATOM 892 CB ASP A 57 -5.297 -3.858 -10.808 1.00 0.00 C ATOM 893 CG ASP A 57 -4.864 -5.278 -11.178 1.00 0.00 C ATOM 894 OD1 ASP A 57 -3.814 -5.695 -10.717 1.00 0.00 O ATOM 895 OD2 ASP A 57 -5.589 -5.923 -11.916 1.00 0.00 O ATOM 0 H ASP A 57 -6.288 -1.820 -9.747 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.168 -4.553 -8.959 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.223 -3.603 -11.324 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.543 -3.141 -11.132 1.00 0.00 H new ATOM 900 N GLU A 58 -3.350 -2.893 -8.586 1.00 0.00 N ATOM 901 CA GLU A 58 -2.026 -2.986 -7.923 1.00 0.00 C ATOM 902 C GLU A 58 -2.254 -3.085 -6.422 1.00 0.00 C ATOM 903 O GLU A 58 -1.497 -3.704 -5.703 1.00 0.00 O ATOM 904 CB GLU A 58 -1.181 -1.753 -8.259 1.00 0.00 C ATOM 905 CG GLU A 58 -0.683 -1.840 -9.703 1.00 0.00 C ATOM 906 CD GLU A 58 0.264 -3.032 -9.866 1.00 0.00 C ATOM 907 OE1 GLU A 58 -0.223 -4.118 -10.137 1.00 0.00 O ATOM 908 OE2 GLU A 58 1.459 -2.838 -9.727 1.00 0.00 O ATOM 0 H GLU A 58 -3.563 -1.990 -9.011 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.488 -3.866 -8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.773 -0.848 -8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.334 -1.685 -7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.530 -1.944 -10.382 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.169 -0.918 -9.974 1.00 0.00 H new ATOM 915 N PHE A 59 -3.312 -2.493 -5.948 1.00 0.00 N ATOM 916 CA PHE A 59 -3.624 -2.559 -4.498 1.00 0.00 C ATOM 917 C PHE A 59 -3.697 -4.022 -4.074 1.00 0.00 C ATOM 918 O PHE A 59 -3.178 -4.413 -3.047 1.00 0.00 O ATOM 919 CB PHE A 59 -5.017 -1.980 -4.270 1.00 0.00 C ATOM 920 CG PHE A 59 -4.954 -0.579 -3.767 1.00 0.00 C ATOM 921 CD1 PHE A 59 -4.209 -0.266 -2.635 1.00 0.00 C ATOM 922 CD2 PHE A 59 -5.660 0.410 -4.439 1.00 0.00 C ATOM 923 CE1 PHE A 59 -4.175 1.045 -2.188 1.00 0.00 C ATOM 924 CE2 PHE A 59 -5.622 1.706 -4.000 1.00 0.00 C ATOM 925 CZ PHE A 59 -4.886 2.033 -2.880 1.00 0.00 C ATOM 0 H PHE A 59 -3.979 -1.962 -6.509 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.862 -2.015 -3.940 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.580 -2.007 -5.203 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.557 -2.600 -3.554 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.663 -1.036 -2.110 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.242 0.155 -5.312 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.603 1.304 -1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.168 2.472 -4.530 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.858 3.056 -2.535 1.00 0.00 H new ATOM 935 N THR A 60 -4.356 -4.835 -4.859 1.00 0.00 N ATOM 936 CA THR A 60 -4.480 -6.273 -4.502 1.00 0.00 C ATOM 937 C THR A 60 -3.113 -6.918 -4.585 1.00 0.00 C ATOM 938 O THR A 60 -2.708 -7.653 -3.711 1.00 0.00 O ATOM 939 CB THR A 60 -5.440 -6.948 -5.472 1.00 0.00 C ATOM 940 OG1 THR A 60 -4.849 -7.007 -6.763 1.00 0.00 O ATOM 941 CG2 THR A 60 -6.725 -6.129 -5.529 1.00 0.00 C ATOM 0 H THR A 60 -4.812 -4.562 -5.730 1.00 0.00 H new ATOM 0 HA THR A 60 -4.867 -6.379 -3.489 1.00 0.00 H new ATOM 0 HB THR A 60 -5.660 -7.962 -5.139 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.585 -6.106 -7.043 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.425 -6.598 -6.220 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.171 -6.083 -4.536 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.498 -5.120 -5.872 1.00 0.00 H new ATOM 949 N SER A 61 -2.386 -6.629 -5.618 1.00 0.00 N ATOM 950 CA SER A 61 -1.027 -7.208 -5.735 1.00 0.00 C ATOM 951 C SER A 61 -0.123 -6.516 -4.714 1.00 0.00 C ATOM 952 O SER A 61 0.894 -7.058 -4.271 1.00 0.00 O ATOM 953 CB SER A 61 -0.484 -6.947 -7.142 1.00 0.00 C ATOM 954 OG SER A 61 0.548 -7.882 -7.429 1.00 0.00 O ATOM 0 H SER A 61 -2.671 -6.019 -6.384 1.00 0.00 H new ATOM 0 HA SER A 61 -1.058 -8.282 -5.552 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.285 -7.036 -7.876 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.099 -5.930 -7.213 1.00 0.00 H new ATOM 0 HG SER A 61 0.897 -7.718 -8.330 1.00 0.00 H new ATOM 960 N CYS A 62 -0.535 -5.362 -4.248 1.00 0.00 N ATOM 961 CA CYS A 62 0.271 -4.660 -3.221 1.00 0.00 C ATOM 962 C CYS A 62 0.160 -5.441 -1.930 1.00 0.00 C ATOM 963 O CYS A 62 1.140 -5.751 -1.282 1.00 0.00 O ATOM 964 CB CYS A 62 -0.264 -3.239 -3.017 1.00 0.00 C ATOM 965 SG CYS A 62 0.822 -2.348 -1.875 1.00 0.00 S ATOM 0 H CYS A 62 -1.389 -4.885 -4.536 1.00 0.00 H new ATOM 0 HA CYS A 62 1.312 -4.593 -3.537 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.313 -2.716 -3.972 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.278 -3.274 -2.620 1.00 0.00 H new ATOM 0 HG CYS A 62 1.448 -3.200 -1.118 1.00 0.00 H new ATOM 971 N ILE A 63 -1.033 -5.785 -1.565 1.00 0.00 N ATOM 972 CA ILE A 63 -1.215 -6.571 -0.333 1.00 0.00 C ATOM 973 C ILE A 63 -0.820 -8.004 -0.629 1.00 0.00 C ATOM 974 O ILE A 63 -0.272 -8.677 0.222 1.00 0.00 O ATOM 975 CB ILE A 63 -2.673 -6.489 0.126 1.00 0.00 C ATOM 976 CG1 ILE A 63 -2.854 -5.239 0.992 1.00 0.00 C ATOM 977 CG2 ILE A 63 -3.036 -7.730 0.941 1.00 0.00 C ATOM 978 CD1 ILE A 63 -2.165 -4.054 0.319 1.00 0.00 C ATOM 0 H ILE A 63 -1.890 -5.555 -2.069 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.592 -6.178 0.470 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.325 -6.435 -0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.915 -5.028 1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.432 -5.405 1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.075 -7.663 1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.904 -8.620 0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.388 -7.793 1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.292 -3.162 0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.102 -4.268 0.205 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.608 -3.885 -0.662 1.00 0.00 H new ATOM 990 N GLU A 64 -1.062 -8.501 -1.820 1.00 0.00 N ATOM 991 CA GLU A 64 -0.662 -9.893 -2.116 1.00 0.00 C ATOM 992 C GLU A 64 0.775 -10.093 -1.686 1.00 0.00 C ATOM 993 O GLU A 64 1.149 -11.182 -1.293 1.00 0.00 O ATOM 994 CB GLU A 64 -0.785 -10.155 -3.618 1.00 0.00 C ATOM 995 CG GLU A 64 -0.690 -11.657 -3.891 1.00 0.00 C ATOM 996 CD GLU A 64 0.752 -12.127 -3.687 1.00 0.00 C ATOM 997 OE1 GLU A 64 1.643 -11.489 -4.221 1.00 0.00 O ATOM 998 OE2 GLU A 64 0.938 -13.117 -3.000 1.00 0.00 O ATOM 0 H GLU A 64 -1.515 -8.001 -2.585 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.310 -10.584 -1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.735 -9.768 -3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.004 -9.628 -4.154 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.358 -12.201 -3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.013 -11.873 -4.910 1.00 0.00 H new ATOM 1005 N LYS A 65 1.597 -9.066 -1.700 1.00 0.00 N ATOM 1006 CA LYS A 65 2.987 -9.300 -1.214 1.00 0.00 C ATOM 1007 C LYS A 65 2.893 -10.027 0.139 1.00 0.00 C ATOM 1008 O LYS A 65 3.856 -10.563 0.652 1.00 0.00 O ATOM 1009 CB LYS A 65 3.721 -7.970 -1.035 1.00 0.00 C ATOM 1010 CG LYS A 65 5.231 -8.233 -0.956 1.00 0.00 C ATOM 1011 CD LYS A 65 6.003 -7.081 -1.613 1.00 0.00 C ATOM 1012 CE LYS A 65 7.411 -6.985 -1.015 1.00 0.00 C ATOM 1013 NZ LYS A 65 7.311 -6.748 0.453 1.00 0.00 N ATOM 0 H LYS A 65 1.376 -8.120 -2.012 1.00 0.00 H new ATOM 0 HA LYS A 65 3.541 -9.898 -1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.499 -7.304 -1.868 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.379 -7.471 -0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.536 -8.338 0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.471 -9.172 -1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.066 -7.242 -2.689 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.470 -6.142 -1.462 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.964 -7.904 -1.209 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.964 -6.174 -1.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.167 -6.259 0.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.477 -6.160 0.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.219 -7.659 0.946 1.00 0.00 H new ATOM 1027 N MET A 66 1.702 -10.066 0.684 1.00 0.00 N ATOM 1028 CA MET A 66 1.432 -10.752 1.956 1.00 0.00 C ATOM 1029 C MET A 66 -0.078 -10.987 1.965 1.00 0.00 C ATOM 1030 O MET A 66 -0.743 -10.789 0.969 1.00 0.00 O ATOM 1031 CB MET A 66 1.840 -9.857 3.138 1.00 0.00 C ATOM 1032 CG MET A 66 3.142 -10.374 3.756 1.00 0.00 C ATOM 1033 SD MET A 66 2.794 -11.836 4.764 1.00 0.00 S ATOM 1034 CE MET A 66 4.503 -12.406 4.936 1.00 0.00 C ATOM 0 H MET A 66 0.880 -9.627 0.269 1.00 0.00 H new ATOM 0 HA MET A 66 1.992 -11.682 2.050 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.971 -8.829 2.799 1.00 0.00 H new ATOM 0 HB3 MET A 66 1.049 -9.847 3.888 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.856 -10.622 2.971 1.00 0.00 H new ATOM 0 HG3 MET A 66 3.599 -9.597 4.369 1.00 0.00 H new ATOM 0 HE1 MET A 66 4.524 -13.316 5.535 1.00 0.00 H new ATOM 0 HE2 MET A 66 4.919 -12.611 3.950 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.096 -11.635 5.427 1.00 0.00 H new ATOM 1044 N LEU A 67 -0.629 -11.405 3.049 1.00 0.00 N ATOM 1045 CA LEU A 67 -2.101 -11.643 3.087 1.00 0.00 C ATOM 1046 C LEU A 67 -2.506 -12.522 1.900 1.00 0.00 C ATOM 1047 CB LEU A 67 -2.833 -10.294 3.011 1.00 0.00 C ATOM 1048 CG LEU A 67 -4.131 -10.328 3.834 1.00 0.00 C ATOM 1049 CD1 LEU A 67 -3.811 -10.562 5.319 1.00 0.00 C ATOM 1050 CD2 LEU A 67 -4.859 -8.990 3.675 1.00 0.00 C ATOM 0 H LEU A 67 -0.134 -11.597 3.920 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.370 -12.149 4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.183 -9.501 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.062 -10.058 1.972 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.762 -11.141 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.738 -10.584 5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.291 -11.513 5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.177 -9.755 5.686 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.781 -9.006 4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.219 -8.183 4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.096 -8.827 2.624 1.00 0.00 H new TER 1062 LEU A 67