USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=14 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+ -143:sc= 0.139 (180deg=0.00414) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0856 USER MOD Single : A 2 SER OG : rot 91:sc= 0.0829 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 153:sc= -0.127 (180deg=-1.32) USER MOD Single : A 12 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0483) USER MOD Single : A 13 ASN : amide:sc= 0.545 K(o=0.55,f=-8.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 94:sc= 1.03 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 132:sc= -2.18! USER MOD Single : A 36 GLN : amide:sc= -10.4! C(o=-10!,f=-9.8!) USER MOD Single : A 41 LYS NZ :NH3+ 164:sc=-0.00294 (180deg=-0.0883) USER MOD Single : A 51 ASN : amide:sc= -3.25 X(o=-3.3,f=-3.7) USER MOD Single : A 55 ASN : amide:sc= -7.56! C(o=-7.6!,f=-7!) USER MOD Single : A 60 THR OG1 : rot -61:sc= 0.849 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot -107:sc= -2.73! USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 174:sc= 0 (180deg=-0.0184) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.039 -11.440 -0.931 1.00 0.00 N ATOM 2 CA SER A 1 -8.742 -10.895 -0.438 1.00 0.00 C ATOM 3 C SER A 1 -9.006 -9.690 0.467 1.00 0.00 C ATOM 4 O SER A 1 -9.802 -8.828 0.152 1.00 0.00 O ATOM 5 CB SER A 1 -7.888 -10.460 -1.631 1.00 0.00 C ATOM 6 OG SER A 1 -8.692 -9.717 -2.537 1.00 0.00 O ATOM 0 H1 SER A 1 -9.985 -12.478 -0.977 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.802 -11.162 -0.281 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.237 -11.061 -1.879 1.00 0.00 H new ATOM 0 HA SER A 1 -8.215 -11.664 0.127 1.00 0.00 H new ATOM 0 HB2 SER A 1 -7.048 -9.854 -1.290 1.00 0.00 H new ATOM 0 HB3 SER A 1 -7.469 -11.333 -2.131 1.00 0.00 H new ATOM 0 HG SER A 1 -8.148 -9.435 -3.302 1.00 0.00 H new ATOM 11 N SER A 2 -8.344 -9.625 1.589 1.00 0.00 N ATOM 12 CA SER A 2 -8.558 -8.478 2.517 1.00 0.00 C ATOM 13 C SER A 2 -7.726 -7.285 2.053 1.00 0.00 C ATOM 14 O SER A 2 -7.425 -6.394 2.823 1.00 0.00 O ATOM 15 CB SER A 2 -8.118 -8.870 3.928 1.00 0.00 C ATOM 16 OG SER A 2 -7.912 -10.276 3.982 1.00 0.00 O ATOM 0 H SER A 2 -7.664 -10.317 1.904 1.00 0.00 H new ATOM 0 HA SER A 2 -9.615 -8.213 2.521 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.200 -8.346 4.194 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.876 -8.574 4.653 1.00 0.00 H new ATOM 0 HG SER A 2 -6.978 -10.478 3.766 1.00 0.00 H new ATOM 22 N ALA A 3 -7.341 -7.257 0.812 1.00 0.00 N ATOM 23 CA ALA A 3 -6.517 -6.120 0.330 1.00 0.00 C ATOM 24 C ALA A 3 -7.406 -4.916 0.048 1.00 0.00 C ATOM 25 O ALA A 3 -6.992 -3.783 0.194 1.00 0.00 O ATOM 26 CB ALA A 3 -5.790 -6.518 -0.946 1.00 0.00 C ATOM 0 H ALA A 3 -7.559 -7.968 0.114 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.790 -5.859 1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.186 -5.681 -1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.144 -7.373 -0.745 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.518 -6.786 -1.711 1.00 0.00 H new ATOM 32 N LYS A 4 -8.627 -5.138 -0.336 1.00 0.00 N ATOM 33 CA LYS A 4 -9.525 -3.986 -0.595 1.00 0.00 C ATOM 34 C LYS A 4 -10.032 -3.494 0.758 1.00 0.00 C ATOM 35 O LYS A 4 -10.189 -2.309 0.986 1.00 0.00 O ATOM 36 CB LYS A 4 -10.684 -4.429 -1.496 1.00 0.00 C ATOM 37 CG LYS A 4 -11.810 -3.379 -1.466 1.00 0.00 C ATOM 38 CD LYS A 4 -12.373 -3.176 -2.879 1.00 0.00 C ATOM 39 CE LYS A 4 -11.460 -2.230 -3.669 1.00 0.00 C ATOM 40 NZ LYS A 4 -11.838 -0.819 -3.375 1.00 0.00 N ATOM 0 H LYS A 4 -9.040 -6.059 -0.481 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.001 -3.180 -1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.329 -4.564 -2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.067 -5.393 -1.162 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.603 -3.703 -0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.428 -2.435 -1.078 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.450 -4.135 -3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.380 -2.763 -2.824 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.418 -2.403 -3.400 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.550 -2.427 -4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.220 -0.175 -3.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.827 -0.660 -3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.731 -0.636 -2.357 1.00 0.00 H new ATOM 54 N ARG A 5 -10.264 -4.401 1.666 1.00 0.00 N ATOM 55 CA ARG A 5 -10.732 -4.005 3.022 1.00 0.00 C ATOM 56 C ARG A 5 -9.635 -3.189 3.699 1.00 0.00 C ATOM 57 O ARG A 5 -9.866 -2.109 4.204 1.00 0.00 O ATOM 58 CB ARG A 5 -10.986 -5.262 3.855 1.00 0.00 C ATOM 59 CG ARG A 5 -11.639 -4.880 5.196 1.00 0.00 C ATOM 60 CD ARG A 5 -10.566 -4.692 6.277 1.00 0.00 C ATOM 61 NE ARG A 5 -11.183 -4.836 7.635 1.00 0.00 N ATOM 62 CZ ARG A 5 -12.269 -4.183 7.959 1.00 0.00 C ATOM 63 NH1 ARG A 5 -12.760 -3.279 7.157 1.00 0.00 N ATOM 64 NH2 ARG A 5 -12.841 -4.408 9.109 1.00 0.00 N ATOM 0 H ARG A 5 -10.149 -5.405 1.525 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.648 -3.421 2.940 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.634 -5.947 3.307 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.047 -5.786 4.034 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.213 -3.961 5.080 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.340 -5.657 5.501 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -9.773 -5.429 6.148 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.106 -3.709 6.179 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.748 -5.455 8.319 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.297 -3.078 6.271 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.607 -2.774 7.416 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -12.441 -5.091 9.752 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.688 -3.901 9.365 1.00 0.00 H new ATOM 78 N VAL A 6 -8.437 -3.707 3.713 1.00 0.00 N ATOM 79 CA VAL A 6 -7.319 -2.971 4.357 1.00 0.00 C ATOM 80 C VAL A 6 -7.168 -1.624 3.647 1.00 0.00 C ATOM 81 O VAL A 6 -6.972 -0.595 4.264 1.00 0.00 O ATOM 82 CB VAL A 6 -6.029 -3.817 4.246 1.00 0.00 C ATOM 83 CG1 VAL A 6 -5.206 -3.406 3.026 1.00 0.00 C ATOM 84 CG2 VAL A 6 -5.182 -3.629 5.507 1.00 0.00 C ATOM 0 H VAL A 6 -8.187 -4.608 3.306 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.515 -2.794 5.414 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.316 -4.863 4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.305 -4.017 2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.797 -3.552 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.928 -2.356 3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.273 -4.226 5.427 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.917 -2.577 5.614 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.752 -3.950 6.379 1.00 0.00 H new ATOM 94 N PHE A 7 -7.297 -1.626 2.352 1.00 0.00 N ATOM 95 CA PHE A 7 -7.191 -0.347 1.601 1.00 0.00 C ATOM 96 C PHE A 7 -8.319 0.581 2.069 1.00 0.00 C ATOM 97 O PHE A 7 -8.088 1.726 2.406 1.00 0.00 O ATOM 98 CB PHE A 7 -7.296 -0.608 0.092 1.00 0.00 C ATOM 99 CG PHE A 7 -7.490 0.687 -0.685 1.00 0.00 C ATOM 100 CD1 PHE A 7 -7.326 1.946 -0.078 1.00 0.00 C ATOM 101 CD2 PHE A 7 -7.850 0.624 -2.033 1.00 0.00 C ATOM 102 CE1 PHE A 7 -7.526 3.112 -0.816 1.00 0.00 C ATOM 103 CE2 PHE A 7 -8.057 1.799 -2.758 1.00 0.00 C ATOM 104 CZ PHE A 7 -7.895 3.040 -2.147 1.00 0.00 C ATOM 0 H PHE A 7 -7.471 -2.454 1.783 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.226 0.122 1.792 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.393 -1.110 -0.255 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.131 -1.281 -0.105 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -7.044 2.009 0.963 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.968 -0.335 -2.515 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.392 4.075 -0.346 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.344 1.745 -3.798 1.00 0.00 H new ATOM 0 HZ PHE A 7 -8.057 3.946 -2.712 1.00 0.00 H new ATOM 114 N GLU A 8 -9.531 0.110 2.129 1.00 0.00 N ATOM 115 CA GLU A 8 -10.625 1.002 2.599 1.00 0.00 C ATOM 116 C GLU A 8 -10.175 1.655 3.906 1.00 0.00 C ATOM 117 O GLU A 8 -10.275 2.849 4.088 1.00 0.00 O ATOM 118 CB GLU A 8 -11.895 0.181 2.841 1.00 0.00 C ATOM 119 CG GLU A 8 -12.606 -0.069 1.510 1.00 0.00 C ATOM 120 CD GLU A 8 -13.747 -1.065 1.717 1.00 0.00 C ATOM 121 OE1 GLU A 8 -13.475 -2.161 2.180 1.00 0.00 O ATOM 122 OE2 GLU A 8 -14.876 -0.716 1.412 1.00 0.00 O ATOM 0 H GLU A 8 -9.810 -0.838 1.878 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.840 1.764 1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.642 -0.768 3.314 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.558 0.711 3.525 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.996 0.868 1.113 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.900 -0.457 0.776 1.00 0.00 H new ATOM 129 N LYS A 9 -9.677 0.869 4.814 1.00 0.00 N ATOM 130 CA LYS A 9 -9.213 1.424 6.113 1.00 0.00 C ATOM 131 C LYS A 9 -8.222 2.575 5.874 1.00 0.00 C ATOM 132 O LYS A 9 -8.255 3.578 6.559 1.00 0.00 O ATOM 133 CB LYS A 9 -8.531 0.309 6.924 1.00 0.00 C ATOM 134 CG LYS A 9 -9.144 0.230 8.329 1.00 0.00 C ATOM 135 CD LYS A 9 -8.786 1.495 9.122 1.00 0.00 C ATOM 136 CE LYS A 9 -9.917 1.828 10.097 1.00 0.00 C ATOM 137 NZ LYS A 9 -10.465 0.569 10.673 1.00 0.00 N ATOM 0 H LYS A 9 -9.570 -0.140 4.712 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.069 1.810 6.667 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.648 -0.647 6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.461 0.503 6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.227 0.128 8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.774 -0.654 8.849 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.855 1.343 9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.623 2.330 8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.546 2.473 10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.705 2.378 9.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.870 0.764 11.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.206 0.195 10.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.702 -0.132 10.764 1.00 0.00 H new ATOM 151 N PHE A 10 -7.328 2.445 4.921 1.00 0.00 N ATOM 152 CA PHE A 10 -6.338 3.542 4.681 1.00 0.00 C ATOM 153 C PHE A 10 -6.813 4.511 3.624 1.00 0.00 C ATOM 154 O PHE A 10 -6.266 5.586 3.516 1.00 0.00 O ATOM 155 CB PHE A 10 -5.003 2.959 4.270 1.00 0.00 C ATOM 156 CG PHE A 10 -4.415 2.251 5.466 1.00 0.00 C ATOM 157 CD1 PHE A 10 -3.733 2.990 6.441 1.00 0.00 C ATOM 158 CD2 PHE A 10 -4.566 0.869 5.619 1.00 0.00 C ATOM 159 CE1 PHE A 10 -3.200 2.348 7.565 1.00 0.00 C ATOM 160 CE2 PHE A 10 -4.036 0.226 6.745 1.00 0.00 C ATOM 161 CZ PHE A 10 -3.352 0.966 7.716 1.00 0.00 C ATOM 0 H PHE A 10 -7.242 1.636 4.306 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.230 4.091 5.616 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.130 2.264 3.440 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.333 3.747 3.926 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.618 4.058 6.325 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.092 0.297 4.869 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.672 2.919 8.314 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.155 -0.841 6.864 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.941 0.469 8.583 1.00 0.00 H new ATOM 171 N ASP A 11 -7.810 4.191 2.842 1.00 0.00 N ATOM 172 CA ASP A 11 -8.252 5.184 1.835 1.00 0.00 C ATOM 173 C ASP A 11 -8.381 6.522 2.549 1.00 0.00 C ATOM 174 O ASP A 11 -9.449 6.996 2.877 1.00 0.00 O ATOM 175 CB ASP A 11 -9.591 4.767 1.219 1.00 0.00 C ATOM 176 CG ASP A 11 -10.686 4.792 2.290 1.00 0.00 C ATOM 177 OD1 ASP A 11 -10.357 5.019 3.442 1.00 0.00 O ATOM 178 OD2 ASP A 11 -11.835 4.584 1.937 1.00 0.00 O ATOM 0 H ASP A 11 -8.322 3.309 2.858 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.531 5.253 1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.852 5.441 0.403 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.510 3.767 0.792 1.00 0.00 H new ATOM 183 N LYS A 12 -7.259 7.115 2.781 1.00 0.00 N ATOM 184 CA LYS A 12 -7.197 8.420 3.471 1.00 0.00 C ATOM 185 C LYS A 12 -7.505 9.516 2.459 1.00 0.00 C ATOM 186 O LYS A 12 -7.738 10.658 2.798 1.00 0.00 O ATOM 187 CB LYS A 12 -5.784 8.555 4.034 1.00 0.00 C ATOM 188 CG LYS A 12 -5.116 9.847 3.565 1.00 0.00 C ATOM 189 CD LYS A 12 -3.725 9.926 4.195 1.00 0.00 C ATOM 190 CE LYS A 12 -2.767 10.672 3.259 1.00 0.00 C ATOM 191 NZ LYS A 12 -3.207 12.089 3.122 1.00 0.00 N ATOM 0 H LYS A 12 -6.350 6.738 2.512 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.921 8.500 4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.822 8.538 5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.184 7.700 3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.042 9.863 2.478 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.714 10.711 3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.780 10.438 5.156 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.348 8.922 4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.752 10.632 3.654 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.748 10.190 2.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.479 12.631 2.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.100 12.125 2.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.350 12.501 4.066 1.00 0.00 H new ATOM 205 N ASN A 13 -7.553 9.145 1.214 1.00 0.00 N ATOM 206 CA ASN A 13 -7.895 10.115 0.135 1.00 0.00 C ATOM 207 C ASN A 13 -9.184 9.642 -0.554 1.00 0.00 C ATOM 208 O ASN A 13 -9.528 10.104 -1.624 1.00 0.00 O ATOM 209 CB ASN A 13 -6.757 10.167 -0.886 1.00 0.00 C ATOM 210 CG ASN A 13 -6.384 8.745 -1.308 1.00 0.00 C ATOM 211 OD1 ASN A 13 -7.116 7.811 -1.049 1.00 0.00 O ATOM 212 ND2 ASN A 13 -5.267 8.540 -1.950 1.00 0.00 N ATOM 0 H ASN A 13 -7.367 8.196 0.890 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.039 11.110 0.557 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.062 10.748 -1.757 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.891 10.669 -0.455 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.008 7.595 -2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.652 9.324 -2.167 1.00 0.00 H new ATOM 219 N LYS A 14 -9.886 8.712 0.063 1.00 0.00 N ATOM 220 CA LYS A 14 -11.150 8.180 -0.543 1.00 0.00 C ATOM 221 C LYS A 14 -11.053 8.361 -2.052 1.00 0.00 C ATOM 222 O LYS A 14 -11.914 8.925 -2.698 1.00 0.00 O ATOM 223 CB LYS A 14 -12.350 8.954 0.002 1.00 0.00 C ATOM 224 CG LYS A 14 -12.285 8.993 1.531 1.00 0.00 C ATOM 225 CD LYS A 14 -13.542 9.673 2.076 1.00 0.00 C ATOM 226 CE LYS A 14 -13.646 9.422 3.581 1.00 0.00 C ATOM 227 NZ LYS A 14 -14.901 10.034 4.101 1.00 0.00 N ATOM 0 H LYS A 14 -9.634 8.300 0.962 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.281 7.127 -0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.353 9.968 -0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.278 8.481 -0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.204 7.981 1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.396 9.534 1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.504 10.744 1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.426 9.286 1.570 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.640 8.351 3.783 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.782 9.848 4.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.972 9.864 5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.888 11.058 3.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.720 9.608 3.621 1.00 0.00 H new ATOM 241 N ASP A 15 -9.951 7.925 -2.585 1.00 0.00 N ATOM 242 CA ASP A 15 -9.692 8.097 -4.029 1.00 0.00 C ATOM 243 C ASP A 15 -9.728 6.761 -4.745 1.00 0.00 C ATOM 244 O ASP A 15 -10.016 6.712 -5.925 1.00 0.00 O ATOM 245 CB ASP A 15 -8.314 8.743 -4.216 1.00 0.00 C ATOM 246 CG ASP A 15 -8.303 9.571 -5.502 1.00 0.00 C ATOM 247 OD1 ASP A 15 -8.987 9.187 -6.437 1.00 0.00 O ATOM 248 OD2 ASP A 15 -7.610 10.574 -5.532 1.00 0.00 O ATOM 0 H ASP A 15 -9.210 7.450 -2.070 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.467 8.735 -4.454 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.080 9.378 -3.361 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.544 7.973 -4.261 1.00 0.00 H new ATOM 253 N GLY A 16 -9.388 5.675 -4.102 1.00 0.00 N ATOM 254 CA GLY A 16 -9.362 4.389 -4.836 1.00 0.00 C ATOM 255 C GLY A 16 -7.911 4.144 -5.158 1.00 0.00 C ATOM 256 O GLY A 16 -7.557 3.285 -5.939 1.00 0.00 O ATOM 0 H GLY A 16 -9.132 5.628 -3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.772 3.582 -4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.963 4.442 -5.744 1.00 0.00 H new ATOM 260 N LYS A 17 -7.069 4.896 -4.496 1.00 0.00 N ATOM 261 CA LYS A 17 -5.616 4.749 -4.666 1.00 0.00 C ATOM 262 C LYS A 17 -4.900 5.199 -3.408 1.00 0.00 C ATOM 263 O LYS A 17 -5.309 6.111 -2.718 1.00 0.00 O ATOM 264 CB LYS A 17 -5.091 5.586 -5.810 1.00 0.00 C ATOM 265 CG LYS A 17 -5.793 5.240 -7.131 1.00 0.00 C ATOM 266 CD LYS A 17 -6.930 6.234 -7.387 1.00 0.00 C ATOM 267 CE LYS A 17 -6.344 7.589 -7.803 1.00 0.00 C ATOM 268 NZ LYS A 17 -6.605 7.820 -9.251 1.00 0.00 N ATOM 0 H LYS A 17 -7.347 5.619 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.429 3.696 -4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.237 6.643 -5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.018 5.428 -5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.078 5.271 -7.953 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.187 4.225 -7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.588 5.856 -8.169 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.536 6.349 -6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.790 8.388 -7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.272 7.609 -7.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.208 8.739 -9.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.159 7.064 -9.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.631 7.819 -9.423 1.00 0.00 H new ATOM 282 N LEU A 18 -3.812 4.562 -3.141 1.00 0.00 N ATOM 283 CA LEU A 18 -2.988 4.907 -1.968 1.00 0.00 C ATOM 284 C LEU A 18 -1.643 5.398 -2.404 1.00 0.00 C ATOM 285 O LEU A 18 -1.162 5.079 -3.456 1.00 0.00 O ATOM 286 CB LEU A 18 -2.757 3.704 -1.128 1.00 0.00 C ATOM 287 CG LEU A 18 -3.591 3.795 0.118 1.00 0.00 C ATOM 288 CD1 LEU A 18 -5.059 3.689 -0.196 1.00 0.00 C ATOM 289 CD2 LEU A 18 -3.168 2.667 1.015 1.00 0.00 C ATOM 0 H LEU A 18 -3.447 3.793 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.520 5.676 -1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.014 2.803 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.702 3.627 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.439 4.760 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.634 3.758 0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.347 4.500 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.260 2.732 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.751 2.696 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.336 1.717 0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.109 2.769 1.253 1.00 0.00 H new ATOM 301 N SER A 19 -1.018 6.127 -1.557 1.00 0.00 N ATOM 302 CA SER A 19 0.333 6.623 -1.847 1.00 0.00 C ATOM 303 C SER A 19 1.284 5.783 -1.031 1.00 0.00 C ATOM 304 O SER A 19 0.921 5.266 0.009 1.00 0.00 O ATOM 305 CB SER A 19 0.448 8.069 -1.399 1.00 0.00 C ATOM 306 OG SER A 19 -0.789 8.734 -1.618 1.00 0.00 O ATOM 0 H SER A 19 -1.393 6.409 -0.651 1.00 0.00 H new ATOM 0 HA SER A 19 0.554 6.563 -2.913 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.715 8.113 -0.343 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.244 8.569 -1.950 1.00 0.00 H new ATOM 0 HG SER A 19 -1.326 8.704 -0.799 1.00 0.00 H new ATOM 312 N LEU A 20 2.486 5.633 -1.462 1.00 0.00 N ATOM 313 CA LEU A 20 3.420 4.826 -0.670 1.00 0.00 C ATOM 314 C LEU A 20 3.355 5.349 0.740 1.00 0.00 C ATOM 315 O LEU A 20 3.665 4.682 1.698 1.00 0.00 O ATOM 316 CB LEU A 20 4.815 5.017 -1.237 1.00 0.00 C ATOM 317 CG LEU A 20 5.804 4.132 -0.498 1.00 0.00 C ATOM 318 CD1 LEU A 20 6.194 4.765 0.827 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.190 2.756 -0.238 1.00 0.00 C ATOM 0 H LEU A 20 2.861 6.031 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 20 3.172 3.765 -0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.821 4.774 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.113 6.062 -1.148 1.00 0.00 H new ATOM 0 HG LEU A 20 6.693 4.021 -1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.903 4.119 1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.654 5.736 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.305 4.895 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.909 2.131 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.290 2.868 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.933 2.287 -1.188 1.00 0.00 H new ATOM 331 N ASP A 21 2.886 6.539 0.837 1.00 0.00 N ATOM 332 CA ASP A 21 2.706 7.178 2.157 1.00 0.00 C ATOM 333 C ASP A 21 1.581 6.454 2.907 1.00 0.00 C ATOM 334 O ASP A 21 1.734 6.114 4.065 1.00 0.00 O ATOM 335 CB ASP A 21 2.347 8.655 1.973 1.00 0.00 C ATOM 336 CG ASP A 21 3.130 9.227 0.791 1.00 0.00 C ATOM 337 OD1 ASP A 21 4.185 8.694 0.490 1.00 0.00 O ATOM 338 OD2 ASP A 21 2.661 10.191 0.207 1.00 0.00 O ATOM 0 H ASP A 21 2.611 7.116 0.042 1.00 0.00 H new ATOM 0 HA ASP A 21 3.631 7.112 2.730 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.276 8.761 1.799 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.579 9.212 2.881 1.00 0.00 H new ATOM 343 N GLU A 22 0.448 6.190 2.278 1.00 0.00 N ATOM 344 CA GLU A 22 -0.632 5.474 3.008 1.00 0.00 C ATOM 345 C GLU A 22 -0.182 4.035 3.236 1.00 0.00 C ATOM 346 O GLU A 22 -0.367 3.468 4.294 1.00 0.00 O ATOM 347 CB GLU A 22 -1.916 5.485 2.187 1.00 0.00 C ATOM 348 CG GLU A 22 -2.553 6.871 2.245 1.00 0.00 C ATOM 349 CD GLU A 22 -1.528 7.929 1.834 1.00 0.00 C ATOM 350 OE1 GLU A 22 -1.441 8.211 0.649 1.00 0.00 O ATOM 351 OE2 GLU A 22 -0.848 8.439 2.708 1.00 0.00 O ATOM 0 H GLU A 22 0.239 6.438 1.311 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.826 5.967 3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.700 5.217 1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.611 4.739 2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.418 6.912 1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.914 7.074 3.253 1.00 0.00 H new ATOM 358 N PHE A 23 0.440 3.458 2.247 1.00 0.00 N ATOM 359 CA PHE A 23 0.947 2.088 2.373 1.00 0.00 C ATOM 360 C PHE A 23 2.117 2.104 3.370 1.00 0.00 C ATOM 361 O PHE A 23 2.440 1.099 3.970 1.00 0.00 O ATOM 362 CB PHE A 23 1.399 1.584 1.016 1.00 0.00 C ATOM 363 CG PHE A 23 1.791 0.130 1.109 1.00 0.00 C ATOM 364 CD1 PHE A 23 3.016 -0.228 1.676 1.00 0.00 C ATOM 365 CD2 PHE A 23 0.929 -0.859 0.624 1.00 0.00 C ATOM 366 CE1 PHE A 23 3.380 -1.577 1.761 1.00 0.00 C ATOM 367 CE2 PHE A 23 1.292 -2.206 0.707 1.00 0.00 C ATOM 368 CZ PHE A 23 2.518 -2.567 1.275 1.00 0.00 C ATOM 0 H PHE A 23 0.616 3.897 1.343 1.00 0.00 H new ATOM 0 HA PHE A 23 0.167 1.419 2.736 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.597 1.707 0.288 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.244 2.175 0.663 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.682 0.536 2.049 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.018 -0.581 0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.326 -1.854 2.202 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.625 -2.969 0.332 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.799 -3.608 1.339 1.00 0.00 H new ATOM 378 N ARG A 24 2.741 3.249 3.581 1.00 0.00 N ATOM 379 CA ARG A 24 3.854 3.324 4.580 1.00 0.00 C ATOM 380 C ARG A 24 3.228 3.386 5.969 1.00 0.00 C ATOM 381 O ARG A 24 3.777 2.915 6.935 1.00 0.00 O ATOM 382 CB ARG A 24 4.707 4.578 4.356 1.00 0.00 C ATOM 383 CG ARG A 24 6.152 4.292 4.774 1.00 0.00 C ATOM 384 CD ARG A 24 6.896 5.609 4.964 1.00 0.00 C ATOM 385 NE ARG A 24 6.360 6.315 6.162 1.00 0.00 N ATOM 386 CZ ARG A 24 7.029 7.302 6.691 1.00 0.00 C ATOM 387 NH1 ARG A 24 8.169 7.669 6.173 1.00 0.00 N ATOM 388 NH2 ARG A 24 6.559 7.920 7.741 1.00 0.00 N ATOM 0 H ARG A 24 2.525 4.125 3.105 1.00 0.00 H new ATOM 0 HA ARG A 24 4.499 2.451 4.475 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.672 4.872 3.307 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.308 5.411 4.935 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.167 3.717 5.700 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.649 3.688 4.015 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.963 5.422 5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.782 6.235 4.079 1.00 0.00 H new ATOM 0 HE ARG A 24 5.470 6.026 6.568 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.537 7.184 5.355 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.692 8.441 6.587 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.669 7.631 8.147 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.082 8.692 8.155 1.00 0.00 H new ATOM 402 N GLU A 25 2.040 3.910 6.047 1.00 0.00 N ATOM 403 CA GLU A 25 1.330 3.930 7.354 1.00 0.00 C ATOM 404 C GLU A 25 0.859 2.499 7.542 1.00 0.00 C ATOM 405 O GLU A 25 0.962 1.898 8.591 1.00 0.00 O ATOM 406 CB GLU A 25 0.133 4.884 7.295 1.00 0.00 C ATOM 407 CG GLU A 25 0.628 6.329 7.375 1.00 0.00 C ATOM 408 CD GLU A 25 -0.568 7.282 7.348 1.00 0.00 C ATOM 409 OE1 GLU A 25 -1.511 7.038 8.083 1.00 0.00 O ATOM 410 OE2 GLU A 25 -0.522 8.239 6.592 1.00 0.00 O ATOM 0 H GLU A 25 1.531 4.324 5.266 1.00 0.00 H new ATOM 0 HA GLU A 25 1.963 4.274 8.172 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.423 4.730 6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.552 4.677 8.117 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.204 6.477 8.289 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.295 6.543 6.540 1.00 0.00 H new ATOM 417 N VAL A 26 0.393 1.960 6.460 1.00 0.00 N ATOM 418 CA VAL A 26 -0.072 0.555 6.372 1.00 0.00 C ATOM 419 C VAL A 26 1.062 -0.377 6.763 1.00 0.00 C ATOM 420 O VAL A 26 0.898 -1.335 7.494 1.00 0.00 O ATOM 421 CB VAL A 26 -0.353 0.353 4.883 1.00 0.00 C ATOM 422 CG1 VAL A 26 0.041 -1.029 4.380 1.00 0.00 C ATOM 423 CG2 VAL A 26 -1.802 0.599 4.562 1.00 0.00 C ATOM 0 H VAL A 26 0.311 2.469 5.580 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.930 0.357 7.015 1.00 0.00 H new ATOM 0 HB VAL A 26 0.270 1.085 4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.184 -1.107 3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.109 -1.183 4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.519 -1.788 4.926 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.969 0.447 3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.423 -0.094 5.129 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.065 1.623 4.828 1.00 0.00 H new ATOM 433 N ALA A 27 2.203 -0.106 6.214 1.00 0.00 N ATOM 434 CA ALA A 27 3.386 -0.956 6.447 1.00 0.00 C ATOM 435 C ALA A 27 4.000 -0.652 7.815 1.00 0.00 C ATOM 436 O ALA A 27 4.307 -1.537 8.585 1.00 0.00 O ATOM 437 CB ALA A 27 4.409 -0.676 5.343 1.00 0.00 C ATOM 0 H ALA A 27 2.367 0.690 5.598 1.00 0.00 H new ATOM 0 HA ALA A 27 3.093 -2.006 6.430 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.292 -1.296 5.499 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.970 -0.907 4.373 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.695 0.375 5.370 1.00 0.00 H new ATOM 443 N LEU A 28 4.180 0.598 8.109 1.00 0.00 N ATOM 444 CA LEU A 28 4.778 0.981 9.419 1.00 0.00 C ATOM 445 C LEU A 28 3.819 0.602 10.546 1.00 0.00 C ATOM 446 O LEU A 28 4.233 0.300 11.648 1.00 0.00 O ATOM 447 CB LEU A 28 5.021 2.493 9.462 1.00 0.00 C ATOM 448 CG LEU A 28 6.347 2.863 8.769 1.00 0.00 C ATOM 449 CD1 LEU A 28 6.620 1.951 7.564 1.00 0.00 C ATOM 450 CD2 LEU A 28 6.270 4.314 8.287 1.00 0.00 C ATOM 0 H LEU A 28 3.939 1.379 7.498 1.00 0.00 H new ATOM 0 HA LEU A 28 5.726 0.457 9.542 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.195 3.011 8.974 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.042 2.832 10.498 1.00 0.00 H new ATOM 0 HG LEU A 28 7.157 2.737 9.487 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.562 2.238 7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.681 0.915 7.898 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.811 2.052 6.841 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.205 4.584 7.795 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.445 4.420 7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.105 4.972 9.140 1.00 0.00 H new ATOM 462 N ALA A 29 2.540 0.636 10.293 1.00 0.00 N ATOM 463 CA ALA A 29 1.551 0.304 11.356 1.00 0.00 C ATOM 464 C ALA A 29 1.441 -1.211 11.587 1.00 0.00 C ATOM 465 O ALA A 29 1.653 -1.696 12.682 1.00 0.00 O ATOM 466 CB ALA A 29 0.187 0.834 10.919 1.00 0.00 C ATOM 0 H ALA A 29 2.135 0.881 9.389 1.00 0.00 H new ATOM 0 HA ALA A 29 1.881 0.761 12.289 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.555 0.602 11.683 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.243 1.914 10.783 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.102 0.364 9.979 1.00 0.00 H new ATOM 472 N PHE A 30 1.065 -1.955 10.579 1.00 0.00 N ATOM 473 CA PHE A 30 0.889 -3.430 10.760 1.00 0.00 C ATOM 474 C PHE A 30 2.211 -4.175 10.578 1.00 0.00 C ATOM 475 O PHE A 30 2.558 -5.032 11.367 1.00 0.00 O ATOM 476 CB PHE A 30 -0.124 -3.943 9.733 1.00 0.00 C ATOM 477 CG PHE A 30 -1.525 -3.614 10.192 1.00 0.00 C ATOM 478 CD1 PHE A 30 -2.142 -4.402 11.171 1.00 0.00 C ATOM 479 CD2 PHE A 30 -2.206 -2.523 9.639 1.00 0.00 C ATOM 480 CE1 PHE A 30 -3.439 -4.096 11.598 1.00 0.00 C ATOM 481 CE2 PHE A 30 -3.504 -2.220 10.066 1.00 0.00 C ATOM 482 CZ PHE A 30 -4.121 -3.006 11.046 1.00 0.00 C ATOM 0 H PHE A 30 0.872 -1.607 9.640 1.00 0.00 H new ATOM 0 HA PHE A 30 0.532 -3.612 11.774 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.067 -3.488 8.761 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.016 -5.020 9.608 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.618 -5.245 11.596 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.730 -1.916 8.883 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.914 -4.702 12.355 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.030 -1.379 9.639 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.122 -2.771 11.376 1.00 0.00 H new ATOM 492 N SER A 31 2.948 -3.871 9.548 1.00 0.00 N ATOM 493 CA SER A 31 4.243 -4.579 9.317 1.00 0.00 C ATOM 494 C SER A 31 5.402 -3.597 9.505 1.00 0.00 C ATOM 495 O SER A 31 6.043 -3.199 8.552 1.00 0.00 O ATOM 496 CB SER A 31 4.262 -5.132 7.891 1.00 0.00 C ATOM 497 OG SER A 31 2.957 -5.580 7.545 1.00 0.00 O ATOM 0 H SER A 31 2.712 -3.162 8.853 1.00 0.00 H new ATOM 0 HA SER A 31 4.349 -5.398 10.028 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.592 -4.362 7.194 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.973 -5.955 7.817 1.00 0.00 H new ATOM 0 HG SER A 31 2.964 -5.934 6.631 1.00 0.00 H new ATOM 503 N PRO A 32 5.666 -3.200 10.722 1.00 0.00 N ATOM 504 CA PRO A 32 6.763 -2.238 11.024 1.00 0.00 C ATOM 505 C PRO A 32 8.134 -2.774 10.609 1.00 0.00 C ATOM 506 O PRO A 32 9.076 -2.025 10.448 1.00 0.00 O ATOM 507 CB PRO A 32 6.692 -2.041 12.546 1.00 0.00 C ATOM 508 CG PRO A 32 5.901 -3.198 13.066 1.00 0.00 C ATOM 509 CD PRO A 32 4.957 -3.618 11.943 1.00 0.00 C ATOM 0 HA PRO A 32 6.641 -1.307 10.470 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.689 -2.019 12.985 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.213 -1.095 12.797 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.558 -4.021 13.349 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.341 -2.916 13.958 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.775 -4.693 11.953 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.987 -3.129 12.031 1.00 0.00 H new ATOM 517 N TYR A 33 8.265 -4.062 10.438 1.00 0.00 N ATOM 518 CA TYR A 33 9.582 -4.623 10.040 1.00 0.00 C ATOM 519 C TYR A 33 9.851 -4.329 8.562 1.00 0.00 C ATOM 520 O TYR A 33 10.958 -4.479 8.087 1.00 0.00 O ATOM 521 CB TYR A 33 9.581 -6.137 10.269 1.00 0.00 C ATOM 522 CG TYR A 33 8.818 -6.451 11.535 1.00 0.00 C ATOM 523 CD1 TYR A 33 9.157 -5.809 12.733 1.00 0.00 C ATOM 524 CD2 TYR A 33 7.773 -7.384 11.514 1.00 0.00 C ATOM 525 CE1 TYR A 33 8.452 -6.099 13.907 1.00 0.00 C ATOM 526 CE2 TYR A 33 7.068 -7.672 12.688 1.00 0.00 C ATOM 527 CZ TYR A 33 7.408 -7.031 13.885 1.00 0.00 C ATOM 528 OH TYR A 33 6.712 -7.316 15.042 1.00 0.00 O ATOM 0 H TYR A 33 7.518 -4.746 10.557 1.00 0.00 H new ATOM 0 HA TYR A 33 10.364 -4.162 10.643 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.123 -6.644 9.420 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.604 -6.505 10.347 1.00 0.00 H new ATOM 0 HD1 TYR A 33 9.963 -5.090 12.751 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.512 -7.881 10.592 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.714 -5.603 14.830 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.261 -8.389 12.670 1.00 0.00 H new ATOM 0 HH TYR A 33 6.020 -7.983 14.851 1.00 0.00 H new ATOM 538 N PHE A 34 8.855 -3.909 7.822 1.00 0.00 N ATOM 539 CA PHE A 34 9.103 -3.615 6.383 1.00 0.00 C ATOM 540 C PHE A 34 10.038 -2.437 6.283 1.00 0.00 C ATOM 541 O PHE A 34 9.776 -1.365 6.792 1.00 0.00 O ATOM 542 CB PHE A 34 7.796 -3.271 5.638 1.00 0.00 C ATOM 543 CG PHE A 34 7.451 -4.360 4.650 1.00 0.00 C ATOM 544 CD1 PHE A 34 7.953 -4.310 3.342 1.00 0.00 C ATOM 545 CD2 PHE A 34 6.630 -5.419 5.041 1.00 0.00 C ATOM 546 CE1 PHE A 34 7.633 -5.323 2.431 1.00 0.00 C ATOM 547 CE2 PHE A 34 6.308 -6.432 4.131 1.00 0.00 C ATOM 548 CZ PHE A 34 6.811 -6.384 2.826 1.00 0.00 C ATOM 0 H PHE A 34 7.900 -3.760 8.146 1.00 0.00 H new ATOM 0 HA PHE A 34 9.536 -4.504 5.924 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.983 -3.150 6.354 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.906 -2.320 5.117 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.586 -3.490 3.037 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.242 -5.457 6.048 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.020 -5.286 1.424 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.672 -7.250 4.435 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.565 -7.166 2.123 1.00 0.00 H new ATOM 558 N THR A 35 11.129 -2.629 5.623 1.00 0.00 N ATOM 559 CA THR A 35 12.080 -1.523 5.483 1.00 0.00 C ATOM 560 C THR A 35 11.582 -0.585 4.407 1.00 0.00 C ATOM 561 O THR A 35 11.036 -0.990 3.404 1.00 0.00 O ATOM 562 CB THR A 35 13.455 -2.064 5.126 1.00 0.00 C ATOM 563 OG1 THR A 35 13.383 -3.472 4.948 1.00 0.00 O ATOM 564 CG2 THR A 35 14.389 -1.737 6.271 1.00 0.00 C ATOM 0 H THR A 35 11.401 -3.504 5.176 1.00 0.00 H new ATOM 0 HA THR A 35 12.162 -0.980 6.425 1.00 0.00 H new ATOM 0 HB THR A 35 13.816 -1.616 4.200 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.838 -3.720 4.116 1.00 0.00 H new ATOM 0 HG21 THR A 35 15.387 -2.113 6.045 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.431 -0.657 6.409 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.023 -2.206 7.184 1.00 0.00 H new ATOM 572 N GLN A 36 11.759 0.667 4.631 1.00 0.00 N ATOM 573 CA GLN A 36 11.289 1.668 3.659 1.00 0.00 C ATOM 574 C GLN A 36 11.801 1.331 2.265 1.00 0.00 C ATOM 575 O GLN A 36 11.201 1.697 1.283 1.00 0.00 O ATOM 576 CB GLN A 36 11.823 3.020 4.090 1.00 0.00 C ATOM 577 CG GLN A 36 11.090 4.131 3.332 1.00 0.00 C ATOM 578 CD GLN A 36 9.577 3.916 3.404 1.00 0.00 C ATOM 579 OE1 GLN A 36 9.057 3.494 4.417 1.00 0.00 O ATOM 580 NE2 GLN A 36 8.849 4.199 2.364 1.00 0.00 N ATOM 0 H GLN A 36 12.216 1.049 5.459 1.00 0.00 H new ATOM 0 HA GLN A 36 10.200 1.678 3.628 1.00 0.00 H new ATOM 0 HB2 GLN A 36 11.688 3.149 5.164 1.00 0.00 H new ATOM 0 HB3 GLN A 36 12.894 3.078 3.894 1.00 0.00 H new ATOM 0 HG2 GLN A 36 11.347 5.101 3.758 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.413 4.144 2.291 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.289 4.553 1.515 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.838 4.067 2.398 1.00 0.00 H new ATOM 589 N GLU A 37 12.898 0.638 2.178 1.00 0.00 N ATOM 590 CA GLU A 37 13.452 0.279 0.839 1.00 0.00 C ATOM 591 C GLU A 37 12.614 -0.841 0.216 1.00 0.00 C ATOM 592 O GLU A 37 12.346 -0.833 -0.967 1.00 0.00 O ATOM 593 CB GLU A 37 14.902 -0.186 0.991 1.00 0.00 C ATOM 594 CG GLU A 37 15.552 -0.291 -0.390 1.00 0.00 C ATOM 595 CD GLU A 37 17.026 -0.670 -0.234 1.00 0.00 C ATOM 596 OE1 GLU A 37 17.769 0.134 0.305 1.00 0.00 O ATOM 597 OE2 GLU A 37 17.387 -1.756 -0.654 1.00 0.00 O ATOM 0 H GLU A 37 13.439 0.302 2.975 1.00 0.00 H new ATOM 0 HA GLU A 37 13.420 1.154 0.190 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.457 0.516 1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.934 -1.152 1.494 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.035 -1.039 -0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.464 0.658 -0.918 1.00 0.00 H new ATOM 604 N ASP A 38 12.189 -1.802 0.988 1.00 0.00 N ATOM 605 CA ASP A 38 11.364 -2.901 0.406 1.00 0.00 C ATOM 606 C ASP A 38 9.958 -2.364 0.110 1.00 0.00 C ATOM 607 O ASP A 38 9.318 -2.759 -0.844 1.00 0.00 O ATOM 608 CB ASP A 38 11.278 -4.085 1.386 1.00 0.00 C ATOM 609 CG ASP A 38 12.011 -3.747 2.686 1.00 0.00 C ATOM 610 OD1 ASP A 38 13.126 -3.260 2.607 1.00 0.00 O ATOM 611 OD2 ASP A 38 11.444 -3.990 3.737 1.00 0.00 O ATOM 0 H ASP A 38 12.374 -1.876 1.988 1.00 0.00 H new ATOM 0 HA ASP A 38 11.828 -3.252 -0.516 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.234 -4.317 1.598 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.716 -4.974 0.933 1.00 0.00 H new ATOM 616 N ILE A 39 9.479 -1.460 0.922 1.00 0.00 N ATOM 617 CA ILE A 39 8.119 -0.888 0.694 1.00 0.00 C ATOM 618 C ILE A 39 8.155 -0.002 -0.546 1.00 0.00 C ATOM 619 O ILE A 39 7.288 -0.053 -1.388 1.00 0.00 O ATOM 620 CB ILE A 39 7.718 -0.031 1.899 1.00 0.00 C ATOM 621 CG1 ILE A 39 7.987 -0.801 3.187 1.00 0.00 C ATOM 622 CG2 ILE A 39 6.227 0.307 1.836 1.00 0.00 C ATOM 623 CD1 ILE A 39 8.022 0.168 4.383 1.00 0.00 C ATOM 0 H ILE A 39 9.972 -1.092 1.736 1.00 0.00 H new ATOM 0 HA ILE A 39 7.401 -1.697 0.560 1.00 0.00 H new ATOM 0 HB ILE A 39 8.303 0.889 1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.212 -1.552 3.340 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.936 -1.332 3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.955 0.916 2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.018 0.860 0.920 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.644 -0.614 1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.215 -0.391 5.299 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.813 0.903 4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.063 0.679 4.465 1.00 0.00 H new ATOM 635 N VAL A 40 9.154 0.820 -0.644 1.00 0.00 N ATOM 636 CA VAL A 40 9.278 1.725 -1.808 1.00 0.00 C ATOM 637 C VAL A 40 9.748 0.944 -3.016 1.00 0.00 C ATOM 638 O VAL A 40 9.276 1.155 -4.108 1.00 0.00 O ATOM 639 CB VAL A 40 10.261 2.814 -1.464 1.00 0.00 C ATOM 640 CG1 VAL A 40 9.704 3.576 -0.274 1.00 0.00 C ATOM 641 CG2 VAL A 40 11.603 2.197 -1.125 1.00 0.00 C ATOM 0 H VAL A 40 9.901 0.904 0.045 1.00 0.00 H new ATOM 0 HA VAL A 40 8.312 2.170 -2.046 1.00 0.00 H new ATOM 0 HB VAL A 40 10.405 3.492 -2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.393 4.374 0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.738 4.006 -0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.581 2.895 0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.313 2.985 -0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.491 1.528 -0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.971 1.634 -1.982 1.00 0.00 H new ATOM 651 N LYS A 41 10.643 0.013 -2.853 1.00 0.00 N ATOM 652 CA LYS A 41 11.053 -0.769 -4.040 1.00 0.00 C ATOM 653 C LYS A 41 9.785 -1.391 -4.586 1.00 0.00 C ATOM 654 O LYS A 41 9.419 -1.209 -5.727 1.00 0.00 O ATOM 655 CB LYS A 41 12.014 -1.892 -3.626 1.00 0.00 C ATOM 656 CG LYS A 41 12.574 -2.580 -4.878 1.00 0.00 C ATOM 657 CD LYS A 41 13.822 -1.833 -5.371 1.00 0.00 C ATOM 658 CE LYS A 41 15.062 -2.364 -4.647 1.00 0.00 C ATOM 659 NZ LYS A 41 15.466 -3.668 -5.246 1.00 0.00 N ATOM 0 H LYS A 41 11.096 -0.233 -1.973 1.00 0.00 H new ATOM 0 HA LYS A 41 11.556 -0.137 -4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.829 -1.484 -3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.493 -2.618 -3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.825 -3.616 -4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.817 -2.599 -5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.934 -1.963 -6.447 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.713 -0.764 -5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.878 -1.646 -4.727 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.851 -2.489 -3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 16.438 -3.897 -4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.821 -4.415 -4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.421 -3.602 -6.283 1.00 0.00 H new ATOM 673 N PHE A 42 9.120 -2.135 -3.753 1.00 0.00 N ATOM 674 CA PHE A 42 7.872 -2.812 -4.161 1.00 0.00 C ATOM 675 C PHE A 42 6.776 -1.798 -4.530 1.00 0.00 C ATOM 676 O PHE A 42 6.159 -1.908 -5.571 1.00 0.00 O ATOM 677 CB PHE A 42 7.395 -3.687 -3.005 1.00 0.00 C ATOM 678 CG PHE A 42 6.073 -4.288 -3.381 1.00 0.00 C ATOM 679 CD1 PHE A 42 5.987 -5.136 -4.490 1.00 0.00 C ATOM 680 CD2 PHE A 42 4.933 -3.987 -2.637 1.00 0.00 C ATOM 681 CE1 PHE A 42 4.759 -5.687 -4.852 1.00 0.00 C ATOM 682 CE2 PHE A 42 3.704 -4.533 -2.999 1.00 0.00 C ATOM 683 CZ PHE A 42 3.616 -5.385 -4.110 1.00 0.00 C ATOM 0 H PHE A 42 9.399 -2.303 -2.786 1.00 0.00 H new ATOM 0 HA PHE A 42 8.073 -3.418 -5.045 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.123 -4.471 -2.797 1.00 0.00 H new ATOM 0 HB3 PHE A 42 7.297 -3.094 -2.096 1.00 0.00 H new ATOM 0 HD1 PHE A 42 6.872 -5.364 -5.066 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.003 -3.332 -1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 42 4.692 -6.346 -5.705 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.819 -4.301 -2.425 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.663 -5.808 -4.391 1.00 0.00 H new ATOM 693 N PHE A 43 6.526 -0.806 -3.711 1.00 0.00 N ATOM 694 CA PHE A 43 5.472 0.189 -4.070 1.00 0.00 C ATOM 695 C PHE A 43 5.872 0.833 -5.387 1.00 0.00 C ATOM 696 O PHE A 43 5.117 0.881 -6.338 1.00 0.00 O ATOM 697 CB PHE A 43 5.419 1.237 -2.976 1.00 0.00 C ATOM 698 CG PHE A 43 4.546 2.401 -3.379 1.00 0.00 C ATOM 699 CD1 PHE A 43 5.004 3.347 -4.302 1.00 0.00 C ATOM 700 CD2 PHE A 43 3.299 2.570 -2.779 1.00 0.00 C ATOM 701 CE1 PHE A 43 4.205 4.445 -4.622 1.00 0.00 C ATOM 702 CE2 PHE A 43 2.512 3.674 -3.095 1.00 0.00 C ATOM 703 CZ PHE A 43 2.963 4.610 -4.018 1.00 0.00 C ATOM 0 H PHE A 43 6.999 -0.644 -2.822 1.00 0.00 H new ATOM 0 HA PHE A 43 4.494 -0.281 -4.170 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.034 0.791 -2.059 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.427 1.592 -2.759 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.972 3.228 -4.765 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.942 1.841 -2.066 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.553 5.171 -5.342 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.550 3.803 -2.622 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.350 5.464 -4.266 1.00 0.00 H new ATOM 713 N GLU A 44 7.088 1.288 -5.448 1.00 0.00 N ATOM 714 CA GLU A 44 7.580 1.883 -6.715 1.00 0.00 C ATOM 715 C GLU A 44 7.351 0.839 -7.812 1.00 0.00 C ATOM 716 O GLU A 44 7.056 1.154 -8.948 1.00 0.00 O ATOM 717 CB GLU A 44 9.072 2.209 -6.602 1.00 0.00 C ATOM 718 CG GLU A 44 9.281 3.322 -5.565 1.00 0.00 C ATOM 719 CD GLU A 44 9.146 4.689 -6.241 1.00 0.00 C ATOM 720 OE1 GLU A 44 9.812 4.901 -7.242 1.00 0.00 O ATOM 721 OE2 GLU A 44 8.380 5.499 -5.747 1.00 0.00 O ATOM 0 H GLU A 44 7.759 1.274 -4.680 1.00 0.00 H new ATOM 0 HA GLU A 44 7.054 2.811 -6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.628 1.318 -6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.460 2.524 -7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.548 3.228 -4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.266 3.227 -5.109 1.00 0.00 H new ATOM 728 N GLU A 45 7.479 -0.414 -7.452 1.00 0.00 N ATOM 729 CA GLU A 45 7.272 -1.529 -8.414 1.00 0.00 C ATOM 730 C GLU A 45 5.783 -1.778 -8.658 1.00 0.00 C ATOM 731 O GLU A 45 5.375 -2.141 -9.744 1.00 0.00 O ATOM 732 CB GLU A 45 7.858 -2.805 -7.810 1.00 0.00 C ATOM 733 CG GLU A 45 8.388 -3.703 -8.923 1.00 0.00 C ATOM 734 CD GLU A 45 7.251 -4.061 -9.880 1.00 0.00 C ATOM 735 OE1 GLU A 45 6.284 -4.649 -9.426 1.00 0.00 O ATOM 736 OE2 GLU A 45 7.366 -3.740 -11.052 1.00 0.00 O ATOM 0 H GLU A 45 7.724 -0.713 -6.508 1.00 0.00 H new ATOM 0 HA GLU A 45 7.753 -1.265 -9.356 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.662 -2.555 -7.117 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.095 -3.332 -7.237 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.186 -3.195 -9.465 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.818 -4.610 -8.498 1.00 0.00 H new ATOM 743 N ILE A 46 4.971 -1.627 -7.647 1.00 0.00 N ATOM 744 CA ILE A 46 3.518 -1.902 -7.822 1.00 0.00 C ATOM 745 C ILE A 46 2.792 -0.642 -8.290 1.00 0.00 C ATOM 746 O ILE A 46 1.875 -0.713 -9.084 1.00 0.00 O ATOM 747 CB ILE A 46 2.933 -2.430 -6.501 1.00 0.00 C ATOM 748 CG1 ILE A 46 1.975 -3.589 -6.799 1.00 0.00 C ATOM 749 CG2 ILE A 46 2.171 -1.333 -5.774 1.00 0.00 C ATOM 750 CD1 ILE A 46 2.758 -4.813 -7.293 1.00 0.00 C ATOM 0 H ILE A 46 5.250 -1.327 -6.713 1.00 0.00 H new ATOM 0 HA ILE A 46 3.380 -2.664 -8.589 1.00 0.00 H new ATOM 0 HB ILE A 46 3.753 -2.769 -5.868 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.414 -3.846 -5.901 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.249 -3.285 -7.553 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.765 -1.728 -4.842 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.846 -0.506 -5.554 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.355 -0.978 -6.403 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.065 -5.628 -7.501 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.299 -4.556 -8.204 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.467 -5.125 -6.526 1.00 0.00 H new ATOM 762 N ASP A 47 3.210 0.517 -7.858 1.00 0.00 N ATOM 763 CA ASP A 47 2.543 1.748 -8.357 1.00 0.00 C ATOM 764 C ASP A 47 2.891 1.831 -9.835 1.00 0.00 C ATOM 765 O ASP A 47 3.805 2.528 -10.231 1.00 0.00 O ATOM 766 CB ASP A 47 3.086 2.977 -7.621 1.00 0.00 C ATOM 767 CG ASP A 47 2.638 4.248 -8.346 1.00 0.00 C ATOM 768 OD1 ASP A 47 1.460 4.556 -8.288 1.00 0.00 O ATOM 769 OD2 ASP A 47 3.482 4.890 -8.949 1.00 0.00 O ATOM 0 H ASP A 47 3.970 0.662 -7.194 1.00 0.00 H new ATOM 0 HA ASP A 47 1.466 1.718 -8.194 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.725 2.986 -6.592 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.174 2.936 -7.577 1.00 0.00 H new ATOM 774 N VAL A 48 2.214 1.075 -10.651 1.00 0.00 N ATOM 775 CA VAL A 48 2.529 1.030 -12.113 1.00 0.00 C ATOM 776 C VAL A 48 1.996 2.220 -12.886 1.00 0.00 C ATOM 777 O VAL A 48 2.468 2.534 -13.962 1.00 0.00 O ATOM 778 CB VAL A 48 1.806 -0.184 -12.684 1.00 0.00 C ATOM 779 CG1 VAL A 48 0.298 -0.055 -12.411 1.00 0.00 C ATOM 780 CG2 VAL A 48 2.028 -0.243 -14.196 1.00 0.00 C ATOM 0 H VAL A 48 1.441 0.474 -10.365 1.00 0.00 H new ATOM 0 HA VAL A 48 3.615 1.011 -12.210 1.00 0.00 H new ATOM 0 HB VAL A 48 2.194 -1.088 -12.215 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.221 -0.922 -12.819 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.126 -0.001 -11.336 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.081 0.850 -12.885 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.511 -1.111 -14.606 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.636 0.664 -14.657 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.095 -0.324 -14.404 1.00 0.00 H new ATOM 790 N ASP A 49 0.987 2.837 -12.401 1.00 0.00 N ATOM 791 CA ASP A 49 0.387 3.953 -13.166 1.00 0.00 C ATOM 792 C ASP A 49 1.274 5.174 -13.020 1.00 0.00 C ATOM 793 O ASP A 49 1.183 6.122 -13.775 1.00 0.00 O ATOM 794 CB ASP A 49 -1.035 4.182 -12.651 1.00 0.00 C ATOM 795 CG ASP A 49 -1.263 5.651 -12.291 1.00 0.00 C ATOM 796 OD1 ASP A 49 -1.013 6.495 -13.136 1.00 0.00 O ATOM 797 OD2 ASP A 49 -1.688 5.903 -11.177 1.00 0.00 O ATOM 0 H ASP A 49 0.542 2.626 -11.508 1.00 0.00 H new ATOM 0 HA ASP A 49 0.319 3.728 -14.230 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.754 3.875 -13.411 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.212 3.558 -11.775 1.00 0.00 H new ATOM 802 N GLY A 50 2.169 5.135 -12.083 1.00 0.00 N ATOM 803 CA GLY A 50 3.113 6.254 -11.905 1.00 0.00 C ATOM 804 C GLY A 50 2.434 7.468 -11.276 1.00 0.00 C ATOM 805 O GLY A 50 3.017 8.532 -11.192 1.00 0.00 O ATOM 0 H GLY A 50 2.286 4.364 -11.426 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.943 5.934 -11.275 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.535 6.532 -12.871 1.00 0.00 H new ATOM 809 N ASN A 51 1.230 7.331 -10.803 1.00 0.00 N ATOM 810 CA ASN A 51 0.571 8.493 -10.158 1.00 0.00 C ATOM 811 C ASN A 51 1.152 8.616 -8.759 1.00 0.00 C ATOM 812 O ASN A 51 0.808 9.494 -7.994 1.00 0.00 O ATOM 813 CB ASN A 51 -0.939 8.267 -10.072 1.00 0.00 C ATOM 814 CG ASN A 51 -1.595 9.466 -9.384 1.00 0.00 C ATOM 815 OD1 ASN A 51 -1.058 10.556 -9.393 1.00 0.00 O ATOM 816 ND2 ASN A 51 -2.743 9.311 -8.783 1.00 0.00 N ATOM 0 H ASN A 51 0.679 6.473 -10.835 1.00 0.00 H new ATOM 0 HA ASN A 51 0.743 9.401 -10.737 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.355 8.134 -11.071 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.150 7.354 -9.515 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.188 10.104 -8.322 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.195 8.397 -8.775 1.00 0.00 H new ATOM 823 N GLY A 52 2.043 7.721 -8.426 1.00 0.00 N ATOM 824 CA GLY A 52 2.667 7.752 -7.082 1.00 0.00 C ATOM 825 C GLY A 52 1.695 7.168 -6.063 1.00 0.00 C ATOM 826 O GLY A 52 1.743 7.494 -4.893 1.00 0.00 O ATOM 0 H GLY A 52 2.364 6.968 -9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.595 7.180 -7.086 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.924 8.776 -6.811 1.00 0.00 H new ATOM 830 N GLU A 53 0.787 6.333 -6.499 1.00 0.00 N ATOM 831 CA GLU A 53 -0.206 5.757 -5.545 1.00 0.00 C ATOM 832 C GLU A 53 -0.578 4.329 -5.936 1.00 0.00 C ATOM 833 O GLU A 53 -0.469 3.931 -7.079 1.00 0.00 O ATOM 834 CB GLU A 53 -1.474 6.632 -5.546 1.00 0.00 C ATOM 835 CG GLU A 53 -1.129 8.055 -6.002 1.00 0.00 C ATOM 836 CD GLU A 53 -2.390 8.920 -5.964 1.00 0.00 C ATOM 837 OE1 GLU A 53 -3.414 8.461 -6.445 1.00 0.00 O ATOM 838 OE2 GLU A 53 -2.311 10.025 -5.456 1.00 0.00 O ATOM 0 H GLU A 53 0.691 6.027 -7.467 1.00 0.00 H new ATOM 0 HA GLU A 53 0.240 5.737 -4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.223 6.200 -6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.909 6.657 -4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.363 8.481 -5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.718 8.036 -7.011 1.00 0.00 H new ATOM 845 N LEU A 54 -1.030 3.558 -4.979 1.00 0.00 N ATOM 846 CA LEU A 54 -1.424 2.167 -5.269 1.00 0.00 C ATOM 847 C LEU A 54 -2.805 2.147 -5.895 1.00 0.00 C ATOM 848 O LEU A 54 -3.776 2.553 -5.299 1.00 0.00 O ATOM 849 CB LEU A 54 -1.520 1.404 -3.964 1.00 0.00 C ATOM 850 CG LEU A 54 -0.157 1.200 -3.314 1.00 0.00 C ATOM 851 CD1 LEU A 54 1.005 1.285 -4.325 1.00 0.00 C ATOM 852 CD2 LEU A 54 -0.022 2.248 -2.245 1.00 0.00 C ATOM 0 H LEU A 54 -1.140 3.844 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.689 1.723 -5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.171 1.944 -3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.983 0.434 -4.146 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.099 0.196 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.951 1.132 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.881 0.516 -5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.005 2.267 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.943 2.141 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.090 3.238 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.821 2.126 -1.513 1.00 0.00 H new ATOM 864 N ASN A 55 -2.891 1.664 -7.083 1.00 0.00 N ATOM 865 CA ASN A 55 -4.222 1.603 -7.758 1.00 0.00 C ATOM 866 C ASN A 55 -4.996 0.392 -7.242 1.00 0.00 C ATOM 867 O ASN A 55 -4.518 -0.360 -6.418 1.00 0.00 O ATOM 868 CB ASN A 55 -4.071 1.491 -9.279 1.00 0.00 C ATOM 869 CG ASN A 55 -2.618 1.196 -9.645 1.00 0.00 C ATOM 870 OD1 ASN A 55 -1.710 1.845 -9.164 1.00 0.00 O ATOM 871 ND2 ASN A 55 -2.363 0.236 -10.487 1.00 0.00 N ATOM 0 H ASN A 55 -2.107 1.305 -7.628 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.760 2.523 -7.532 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.717 0.699 -9.658 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.392 2.419 -9.753 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.399 0.027 -10.745 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.128 -0.307 -10.889 1.00 0.00 H new ATOM 878 N ALA A 56 -6.197 0.216 -7.720 1.00 0.00 N ATOM 879 CA ALA A 56 -7.045 -0.925 -7.255 1.00 0.00 C ATOM 880 C ALA A 56 -6.430 -2.286 -7.643 1.00 0.00 C ATOM 881 O ALA A 56 -6.138 -3.104 -6.784 1.00 0.00 O ATOM 882 CB ALA A 56 -8.444 -0.749 -7.852 1.00 0.00 C ATOM 0 H ALA A 56 -6.633 0.817 -8.419 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.104 -0.920 -6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.084 -1.570 -7.528 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.868 0.197 -7.514 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.378 -0.748 -8.940 1.00 0.00 H new ATOM 888 N ASP A 57 -6.230 -2.570 -8.898 1.00 0.00 N ATOM 889 CA ASP A 57 -5.644 -3.900 -9.254 1.00 0.00 C ATOM 890 C ASP A 57 -4.271 -4.055 -8.591 1.00 0.00 C ATOM 891 O ASP A 57 -3.937 -5.093 -8.035 1.00 0.00 O ATOM 892 CB ASP A 57 -5.491 -3.997 -10.773 1.00 0.00 C ATOM 893 CG ASP A 57 -4.851 -5.336 -11.137 1.00 0.00 C ATOM 894 OD1 ASP A 57 -5.311 -6.348 -10.634 1.00 0.00 O ATOM 895 OD2 ASP A 57 -3.910 -5.330 -11.913 1.00 0.00 O ATOM 0 H ASP A 57 -6.441 -1.955 -9.684 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.305 -4.692 -8.901 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.465 -3.905 -11.254 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.875 -3.176 -11.140 1.00 0.00 H new ATOM 900 N GLU A 58 -3.475 -3.025 -8.628 1.00 0.00 N ATOM 901 CA GLU A 58 -2.133 -3.105 -7.996 1.00 0.00 C ATOM 902 C GLU A 58 -2.330 -3.192 -6.491 1.00 0.00 C ATOM 903 O GLU A 58 -1.544 -3.783 -5.785 1.00 0.00 O ATOM 904 CB GLU A 58 -1.302 -1.867 -8.352 1.00 0.00 C ATOM 905 CG GLU A 58 -0.793 -1.966 -9.795 1.00 0.00 C ATOM 906 CD GLU A 58 0.115 -3.189 -9.958 1.00 0.00 C ATOM 907 OE1 GLU A 58 -0.406 -4.261 -10.223 1.00 0.00 O ATOM 908 OE2 GLU A 58 1.317 -3.031 -9.827 1.00 0.00 O ATOM 0 H GLU A 58 -3.696 -2.132 -9.069 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.597 -3.982 -8.358 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.907 -0.968 -8.233 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.459 -1.777 -7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.637 -2.038 -10.481 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.245 -1.061 -10.057 1.00 0.00 H new ATOM 915 N PHE A 59 -3.387 -2.608 -6.002 1.00 0.00 N ATOM 916 CA PHE A 59 -3.666 -2.649 -4.541 1.00 0.00 C ATOM 917 C PHE A 59 -3.693 -4.100 -4.075 1.00 0.00 C ATOM 918 O PHE A 59 -3.114 -4.456 -3.068 1.00 0.00 O ATOM 919 CB PHE A 59 -5.065 -2.092 -4.295 1.00 0.00 C ATOM 920 CG PHE A 59 -5.016 -0.707 -3.749 1.00 0.00 C ATOM 921 CD1 PHE A 59 -4.257 -0.423 -2.620 1.00 0.00 C ATOM 922 CD2 PHE A 59 -5.748 0.295 -4.372 1.00 0.00 C ATOM 923 CE1 PHE A 59 -4.231 0.872 -2.130 1.00 0.00 C ATOM 924 CE2 PHE A 59 -5.723 1.575 -3.887 1.00 0.00 C ATOM 925 CZ PHE A 59 -4.968 1.875 -2.772 1.00 0.00 C ATOM 0 H PHE A 59 -4.075 -2.100 -6.557 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.902 -2.077 -4.014 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.628 -2.096 -5.228 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.598 -2.740 -3.599 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.694 -1.204 -2.130 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.341 0.063 -5.245 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.644 1.108 -1.255 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.294 2.350 -4.377 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.945 2.886 -2.393 1.00 0.00 H new ATOM 935 N THR A 60 -4.366 -4.946 -4.805 1.00 0.00 N ATOM 936 CA THR A 60 -4.430 -6.372 -4.398 1.00 0.00 C ATOM 937 C THR A 60 -3.039 -6.962 -4.522 1.00 0.00 C ATOM 938 O THR A 60 -2.535 -7.595 -3.615 1.00 0.00 O ATOM 939 CB THR A 60 -5.410 -7.113 -5.300 1.00 0.00 C ATOM 940 OG1 THR A 60 -4.967 -7.031 -6.649 1.00 0.00 O ATOM 941 CG2 THR A 60 -6.781 -6.460 -5.163 1.00 0.00 C ATOM 0 H THR A 60 -4.870 -4.711 -5.660 1.00 0.00 H new ATOM 0 HA THR A 60 -4.775 -6.465 -3.368 1.00 0.00 H new ATOM 0 HB THR A 60 -5.470 -8.163 -5.012 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.936 -6.092 -6.927 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.496 -6.978 -5.802 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.111 -6.521 -4.126 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.717 -5.414 -5.463 1.00 0.00 H new ATOM 949 N SER A 61 -2.397 -6.728 -5.625 1.00 0.00 N ATOM 950 CA SER A 61 -1.016 -7.243 -5.782 1.00 0.00 C ATOM 951 C SER A 61 -0.114 -6.484 -4.806 1.00 0.00 C ATOM 952 O SER A 61 0.948 -6.956 -4.403 1.00 0.00 O ATOM 953 CB SER A 61 -0.537 -7.001 -7.215 1.00 0.00 C ATOM 954 OG SER A 61 0.547 -7.875 -7.501 1.00 0.00 O ATOM 0 H SER A 61 -2.765 -6.206 -6.420 1.00 0.00 H new ATOM 0 HA SER A 61 -0.985 -8.313 -5.576 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.353 -7.173 -7.917 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.225 -5.964 -7.336 1.00 0.00 H new ATOM 0 HG SER A 61 0.856 -7.724 -8.419 1.00 0.00 H new ATOM 960 N CYS A 62 -0.575 -5.346 -4.339 1.00 0.00 N ATOM 961 CA CYS A 62 0.228 -4.585 -3.350 1.00 0.00 C ATOM 962 C CYS A 62 0.285 -5.414 -2.090 1.00 0.00 C ATOM 963 O CYS A 62 1.299 -5.523 -1.434 1.00 0.00 O ATOM 964 CB CYS A 62 -0.422 -3.232 -3.049 1.00 0.00 C ATOM 965 SG CYS A 62 0.781 -2.169 -2.211 1.00 0.00 S ATOM 0 H CYS A 62 -1.464 -4.921 -4.602 1.00 0.00 H new ATOM 0 HA CYS A 62 1.227 -4.393 -3.743 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.759 -2.763 -3.973 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.303 -3.369 -2.422 1.00 0.00 H new ATOM 0 HG CYS A 62 0.456 -2.049 -0.958 1.00 0.00 H new ATOM 971 N ILE A 63 -0.805 -6.028 -1.759 1.00 0.00 N ATOM 972 CA ILE A 63 -0.817 -6.878 -0.560 1.00 0.00 C ATOM 973 C ILE A 63 -0.210 -8.219 -0.921 1.00 0.00 C ATOM 974 O ILE A 63 0.434 -8.836 -0.101 1.00 0.00 O ATOM 975 CB ILE A 63 -2.244 -7.050 -0.055 1.00 0.00 C ATOM 976 CG1 ILE A 63 -2.914 -5.676 0.016 1.00 0.00 C ATOM 977 CG2 ILE A 63 -2.224 -7.679 1.343 1.00 0.00 C ATOM 978 CD1 ILE A 63 -1.958 -4.666 0.655 1.00 0.00 C ATOM 0 H ILE A 63 -1.687 -5.976 -2.269 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.235 -6.415 0.237 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.798 -7.700 -0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.192 -5.345 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.833 -5.739 0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.246 -7.801 1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.737 -8.653 1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.675 -7.031 2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.440 -3.689 0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.702 -4.994 1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.051 -4.594 0.055 1.00 0.00 H new ATOM 990 N GLU A 64 -0.363 -8.691 -2.139 1.00 0.00 N ATOM 991 CA GLU A 64 0.259 -9.987 -2.487 1.00 0.00 C ATOM 992 C GLU A 64 1.731 -9.928 -2.119 1.00 0.00 C ATOM 993 O GLU A 64 2.344 -10.940 -1.849 1.00 0.00 O ATOM 994 CB GLU A 64 0.116 -10.248 -3.987 1.00 0.00 C ATOM 995 CG GLU A 64 0.665 -11.638 -4.318 1.00 0.00 C ATOM 996 CD GLU A 64 0.431 -11.941 -5.799 1.00 0.00 C ATOM 997 OE1 GLU A 64 0.595 -11.036 -6.602 1.00 0.00 O ATOM 998 OE2 GLU A 64 0.091 -13.071 -6.106 1.00 0.00 O ATOM 0 H GLU A 64 -0.885 -8.235 -2.888 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.234 -10.792 -1.942 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.932 -10.180 -4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.656 -9.488 -4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.730 -11.683 -4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.175 -12.391 -3.700 1.00 0.00 H new ATOM 1005 N LYS A 65 2.309 -8.750 -2.041 1.00 0.00 N ATOM 1006 CA LYS A 65 3.740 -8.703 -1.610 1.00 0.00 C ATOM 1007 C LYS A 65 3.806 -9.430 -0.254 1.00 0.00 C ATOM 1008 O LYS A 65 4.859 -9.705 0.287 1.00 0.00 O ATOM 1009 CB LYS A 65 4.199 -7.236 -1.500 1.00 0.00 C ATOM 1010 CG LYS A 65 5.290 -7.059 -0.431 1.00 0.00 C ATOM 1011 CD LYS A 65 6.560 -7.832 -0.823 1.00 0.00 C ATOM 1012 CE LYS A 65 7.435 -6.981 -1.760 1.00 0.00 C ATOM 1013 NZ LYS A 65 8.551 -7.819 -2.285 1.00 0.00 N ATOM 0 H LYS A 65 1.870 -7.853 -2.249 1.00 0.00 H new ATOM 0 HA LYS A 65 4.405 -9.187 -2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.578 -6.900 -2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.345 -6.605 -1.256 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.523 -6.001 -0.313 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.924 -7.414 0.532 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.124 -8.096 0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.288 -8.765 -1.316 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.836 -6.594 -2.584 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.833 -6.120 -1.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.145 -7.248 -2.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.126 -8.168 -1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.161 -8.627 -2.811 1.00 0.00 H new ATOM 1027 N MET A 66 2.646 -9.764 0.256 1.00 0.00 N ATOM 1028 CA MET A 66 2.499 -10.496 1.523 1.00 0.00 C ATOM 1029 C MET A 66 1.069 -11.025 1.506 1.00 0.00 C ATOM 1030 O MET A 66 0.384 -10.918 0.510 1.00 0.00 O ATOM 1031 CB MET A 66 2.698 -9.547 2.711 1.00 0.00 C ATOM 1032 CG MET A 66 1.681 -8.407 2.633 1.00 0.00 C ATOM 1033 SD MET A 66 2.029 -7.199 3.939 1.00 0.00 S ATOM 1034 CE MET A 66 0.362 -7.116 4.638 1.00 0.00 C ATOM 0 H MET A 66 1.757 -9.540 -0.191 1.00 0.00 H new ATOM 0 HA MET A 66 3.234 -11.295 1.625 1.00 0.00 H new ATOM 0 HB2 MET A 66 2.578 -10.091 3.648 1.00 0.00 H new ATOM 0 HB3 MET A 66 3.711 -9.145 2.703 1.00 0.00 H new ATOM 0 HG2 MET A 66 1.731 -7.927 1.656 1.00 0.00 H new ATOM 0 HG3 MET A 66 0.670 -8.799 2.745 1.00 0.00 H new ATOM 0 HE1 MET A 66 0.374 -6.499 5.536 1.00 0.00 H new ATOM 0 HE2 MET A 66 -0.318 -6.679 3.907 1.00 0.00 H new ATOM 0 HE3 MET A 66 0.024 -8.120 4.893 1.00 0.00 H new ATOM 1044 N LEU A 67 0.599 -11.601 2.554 1.00 0.00 N ATOM 1045 CA LEU A 67 -0.797 -12.127 2.543 1.00 0.00 C ATOM 1046 C LEU A 67 -1.000 -13.005 1.306 1.00 0.00 C ATOM 1047 CB LEU A 67 -1.787 -10.951 2.512 1.00 0.00 C ATOM 1048 CG LEU A 67 -3.114 -11.350 3.177 1.00 0.00 C ATOM 1049 CD1 LEU A 67 -3.647 -12.629 2.527 1.00 0.00 C ATOM 1050 CD2 LEU A 67 -2.901 -11.587 4.683 1.00 0.00 C ATOM 0 H LEU A 67 1.111 -11.737 3.426 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.971 -12.721 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.358 -10.092 3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.967 -10.646 1.481 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.836 -10.544 3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.588 -12.912 2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.812 -12.455 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.921 -13.432 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.847 -11.869 5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.175 -12.387 4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.530 -10.673 5.146 1.00 0.00 H new TER 1062 LEU A 67