USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 595 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -3.53! C(o=-3.5!,f=-7.5!) USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= 0.041 (180deg=-0.651!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00101 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 134:sc= -2.67! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -150:sc= 0.0496 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.51 X(o=-0.51,f=-0.23) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 156:sc= -7.79! (180deg=-9.15!) USER MOD Single : A 55 THR OG1 : rot -24:sc= -1.82! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -3.04! C(o=-3!,f=-3.8!) USER MOD Single : A 67 THR OG1 : rot 79:sc= 0.206 USER MOD Single : A 73 ASN : amide:sc= -2.45! C(o=-2.5!,f=-3.7!) USER MOD Single : A 78 LYS NZ :NH3+ 169:sc= -0.852 (180deg=-0.946) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N ASP A 7 -1.433 -10.196 -0.395 1.00 16.66 N ATOM 86 CA ASP A 7 -1.906 -11.597 -0.576 1.00 16.66 C ATOM 87 C ASP A 7 -2.877 -11.953 0.548 1.00 16.66 C ATOM 88 O ASP A 7 -3.941 -12.493 0.318 1.00 16.66 O ATOM 89 CB ASP A 7 -0.710 -12.550 -0.538 1.00 16.66 C ATOM 90 CG ASP A 7 0.073 -12.438 -1.847 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.537 -12.119 -2.855 1.00 50.00 O ATOM 92 OD2 ASP A 7 1.270 -12.674 -1.821 1.00 50.00 O ATOM 0 HA ASP A 7 -2.411 -11.689 -1.537 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.065 -12.307 0.306 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.052 -13.575 -0.393 1.00 16.66 H new ATOM 97 N LYS A 8 -2.519 -11.653 1.764 1.00 16.66 N ATOM 98 CA LYS A 8 -3.418 -11.970 2.908 1.00 16.66 C ATOM 99 C LYS A 8 -4.814 -11.421 2.623 1.00 16.66 C ATOM 100 O LYS A 8 -5.811 -12.046 2.922 1.00 16.66 O ATOM 101 CB LYS A 8 -2.867 -11.329 4.182 1.00 16.66 C ATOM 102 CG LYS A 8 -1.811 -12.249 4.797 1.00 16.66 C ATOM 103 CD LYS A 8 -1.600 -11.873 6.265 1.00 16.66 C ATOM 104 CE LYS A 8 -0.392 -12.634 6.817 1.00 50.00 C ATOM 105 NZ LYS A 8 0.772 -11.709 6.923 1.00 50.00 N ATOM 0 H LYS A 8 -1.640 -11.201 2.016 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.472 -13.051 3.041 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.430 -10.357 3.954 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.674 -11.156 4.894 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.129 -13.289 4.719 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -0.873 -12.161 4.249 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -1.440 -10.799 6.357 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -2.491 -12.113 6.845 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -0.628 -13.052 7.796 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -0.147 -13.471 6.164 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 1.593 -12.226 7.298 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 1.001 -11.331 5.982 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 0.535 -10.924 7.563 1.00 50.00 H new ATOM 119 N ALA A 9 -4.893 -10.256 2.047 1.00 16.66 N ATOM 120 CA ALA A 9 -6.226 -9.669 1.743 1.00 16.66 C ATOM 121 C ALA A 9 -7.040 -10.688 0.954 1.00 16.66 C ATOM 122 O ALA A 9 -8.218 -10.875 1.183 1.00 16.66 O ATOM 123 CB ALA A 9 -6.050 -8.395 0.913 1.00 16.66 C ATOM 0 H ALA A 9 -4.093 -9.685 1.774 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.743 -9.419 2.670 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -7.028 -7.967 0.692 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -5.457 -7.674 1.475 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.540 -8.636 -0.020 1.00 16.66 H new ATOM 129 N GLU A 10 -6.413 -11.353 0.028 1.00 16.66 N ATOM 130 CA GLU A 10 -7.140 -12.371 -0.780 1.00 16.66 C ATOM 131 C GLU A 10 -7.534 -13.537 0.124 1.00 16.66 C ATOM 132 O GLU A 10 -8.658 -13.998 0.112 1.00 16.66 O ATOM 133 CB GLU A 10 -6.235 -12.877 -1.904 1.00 16.66 C ATOM 134 CG GLU A 10 -5.786 -11.696 -2.767 1.00 16.66 C ATOM 135 CD GLU A 10 -7.006 -11.060 -3.436 1.00 16.66 C ATOM 136 OE1 GLU A 10 -8.053 -11.687 -3.432 1.00 16.66 O ATOM 137 OE2 GLU A 10 -6.873 -9.957 -3.940 1.00 16.66 O ATOM 0 H GLU A 10 -5.427 -11.237 -0.206 1.00 16.66 H new ATOM 0 HA GLU A 10 -8.034 -11.924 -1.215 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.367 -13.386 -1.485 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -6.768 -13.606 -2.515 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -5.269 -10.959 -2.153 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -5.078 -12.033 -3.524 1.00 16.66 H new ATOM 144 N ARG A 11 -6.615 -14.013 0.914 1.00 16.66 N ATOM 145 CA ARG A 11 -6.925 -15.145 1.830 1.00 16.66 C ATOM 146 C ARG A 11 -7.954 -14.692 2.865 1.00 16.66 C ATOM 147 O ARG A 11 -8.855 -15.422 3.226 1.00 16.66 O ATOM 148 CB ARG A 11 -5.645 -15.579 2.543 1.00 16.66 C ATOM 149 CG ARG A 11 -4.745 -16.328 1.560 1.00 16.66 C ATOM 150 CD ARG A 11 -3.550 -16.924 2.305 1.00 50.00 C ATOM 151 NE ARG A 11 -3.116 -15.983 3.372 1.00 50.00 N ATOM 152 CZ ARG A 11 -1.847 -15.740 3.553 1.00 50.00 C ATOM 153 NH1 ARG A 11 -1.046 -15.652 2.526 1.00 50.00 N ATOM 154 NH2 ARG A 11 -1.378 -15.583 4.760 1.00 50.00 N ATOM 0 H ARG A 11 -5.657 -13.665 0.965 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.328 -15.981 1.258 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.123 -14.708 2.940 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -5.887 -16.219 3.391 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.309 -17.119 1.066 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.398 -15.650 0.780 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.821 -17.886 2.741 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -2.730 -17.108 1.611 1.00 50.00 H new ATOM 0 HE ARG A 11 -3.811 -15.527 3.963 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -1.412 -15.773 1.582 1.00 50.00 H new ATOM 0 HH12 ARG A 11 -0.054 -15.462 2.668 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -2.003 -15.650 5.563 1.00 50.00 H new ATOM 0 HH22 ARG A 11 -0.386 -15.393 4.901 1.00 50.00 H new ATOM 168 N GLU A 12 -7.825 -13.486 3.340 1.00 16.66 N ATOM 169 CA GLU A 12 -8.790 -12.970 4.346 1.00 16.66 C ATOM 170 C GLU A 12 -10.168 -12.841 3.701 1.00 16.66 C ATOM 171 O GLU A 12 -11.176 -13.171 4.293 1.00 16.66 O ATOM 172 CB GLU A 12 -8.325 -11.598 4.837 1.00 16.66 C ATOM 173 CG GLU A 12 -7.327 -11.775 5.983 1.00 16.66 C ATOM 174 CD GLU A 12 -7.115 -10.433 6.687 1.00 16.66 C ATOM 175 OE1 GLU A 12 -7.719 -9.462 6.262 1.00 50.00 O ATOM 176 OE2 GLU A 12 -6.352 -10.400 7.638 1.00 50.00 O ATOM 0 H GLU A 12 -7.089 -12.833 3.073 1.00 16.66 H new ATOM 0 HA GLU A 12 -8.845 -13.658 5.190 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -7.861 -11.046 4.020 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.180 -11.012 5.173 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -7.699 -12.515 6.692 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.378 -12.150 5.599 1.00 16.66 H new ATOM 183 N ARG A 13 -10.216 -12.368 2.488 1.00 16.66 N ATOM 184 CA ARG A 13 -11.528 -12.223 1.800 1.00 16.66 C ATOM 185 C ARG A 13 -12.118 -13.609 1.552 1.00 16.66 C ATOM 186 O ARG A 13 -13.300 -13.830 1.715 1.00 16.66 O ATOM 187 CB ARG A 13 -11.330 -11.502 0.464 1.00 16.66 C ATOM 188 CG ARG A 13 -10.942 -10.045 0.724 1.00 16.66 C ATOM 189 CD ARG A 13 -10.393 -9.426 -0.564 1.00 16.66 C ATOM 190 NE ARG A 13 -10.994 -8.078 -0.762 1.00 50.00 N ATOM 191 CZ ARG A 13 -10.736 -7.402 -1.849 1.00 50.00 C ATOM 192 NH1 ARG A 13 -10.903 -7.958 -3.017 1.00 50.00 N ATOM 193 NH2 ARG A 13 -10.312 -6.170 -1.766 1.00 50.00 N ATOM 0 H ARG A 13 -9.404 -12.076 1.944 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.207 -11.642 2.423 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.553 -11.998 -0.118 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.246 -11.546 -0.125 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -11.809 -9.483 1.070 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -10.193 -9.992 1.514 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.307 -9.347 -0.508 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -10.623 -10.067 -1.415 1.00 16.66 H new ATOM 0 HE ARG A 13 -11.607 -7.683 -0.049 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -11.235 -8.920 -3.081 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -10.702 -7.430 -3.866 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -10.182 -5.736 -0.852 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -10.110 -5.642 -2.615 1.00 50.00 H new ATOM 207 N ILE A 14 -11.299 -14.547 1.171 1.00 16.66 N ATOM 208 CA ILE A 14 -11.808 -15.922 0.924 1.00 16.66 C ATOM 209 C ILE A 14 -12.194 -16.557 2.260 1.00 16.66 C ATOM 210 O ILE A 14 -13.252 -17.139 2.402 1.00 16.66 O ATOM 211 CB ILE A 14 -10.714 -16.757 0.255 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.226 -16.040 -1.005 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.279 -18.128 -0.122 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.794 -16.477 -1.319 1.00 50.00 C ATOM 0 H ILE A 14 -10.298 -14.420 1.020 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.680 -15.883 0.271 1.00 16.66 H new ATOM 0 HB ILE A 14 -9.880 -16.886 0.945 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -10.881 -16.272 -1.845 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.264 -14.960 -0.860 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.501 -18.724 -0.599 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.627 -18.638 0.776 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -12.113 -18.001 -0.813 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.446 -15.966 -2.217 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.144 -16.222 -0.482 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -8.770 -17.554 -1.482 1.00 50.00 H new ATOM 226 N PHE A 15 -11.345 -16.446 3.246 1.00 16.66 N ATOM 227 CA PHE A 15 -11.668 -17.039 4.572 1.00 16.66 C ATOM 228 C PHE A 15 -12.863 -16.302 5.177 1.00 16.66 C ATOM 229 O PHE A 15 -13.693 -16.887 5.843 1.00 16.66 O ATOM 230 CB PHE A 15 -10.463 -16.908 5.505 1.00 16.66 C ATOM 231 CG PHE A 15 -10.798 -17.552 6.831 1.00 16.66 C ATOM 232 CD1 PHE A 15 -11.420 -16.805 7.839 1.00 16.66 C ATOM 233 CD2 PHE A 15 -10.494 -18.901 7.048 1.00 16.66 C ATOM 234 CE1 PHE A 15 -11.737 -17.408 9.064 1.00 16.66 C ATOM 235 CE2 PHE A 15 -10.811 -19.505 8.271 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.433 -18.759 9.279 1.00 16.66 C ATOM 0 H PHE A 15 -10.444 -15.971 3.189 1.00 16.66 H new ATOM 0 HA PHE A 15 -11.912 -18.094 4.447 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.590 -17.388 5.063 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.210 -15.858 5.649 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -11.655 -15.764 7.673 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -10.014 -19.477 6.271 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -12.215 -16.832 9.842 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -10.576 -20.546 8.436 1.00 16.66 H new ATOM 0 HZ PHE A 15 -11.679 -19.224 10.222 1.00 16.66 H new ATOM 246 N LYS A 16 -12.956 -15.022 4.949 1.00 16.66 N ATOM 247 CA LYS A 16 -14.098 -14.249 5.510 1.00 16.66 C ATOM 248 C LYS A 16 -15.398 -14.719 4.856 1.00 16.66 C ATOM 249 O LYS A 16 -16.446 -14.729 5.471 1.00 16.66 O ATOM 250 CB LYS A 16 -13.893 -12.759 5.234 1.00 50.00 C ATOM 251 CG LYS A 16 -12.967 -12.167 6.298 1.00 50.00 C ATOM 252 CD LYS A 16 -12.950 -10.643 6.170 1.00 50.00 C ATOM 253 CE LYS A 16 -11.880 -10.066 7.099 1.00 50.00 C ATOM 254 NZ LYS A 16 -12.504 -9.073 8.019 1.00 50.00 N ATOM 0 H LYS A 16 -12.291 -14.478 4.399 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.154 -14.411 6.587 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.463 -12.618 4.243 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -14.852 -12.241 5.242 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.308 -12.455 7.293 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -11.959 -12.564 6.179 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -12.745 -10.356 5.139 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -13.928 -10.235 6.426 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -11.412 -10.866 7.673 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -11.093 -9.591 6.514 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -11.777 -8.680 8.651 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -12.931 -8.305 7.463 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -13.240 -9.540 8.586 1.00 50.00 H new ATOM 268 N ARG A 17 -15.337 -15.115 3.615 1.00 16.66 N ATOM 269 CA ARG A 17 -16.568 -15.590 2.926 1.00 16.66 C ATOM 270 C ARG A 17 -16.986 -16.935 3.520 1.00 16.66 C ATOM 271 O ARG A 17 -18.156 -17.233 3.648 1.00 16.66 O ATOM 272 CB ARG A 17 -16.288 -15.755 1.432 1.00 16.66 C ATOM 273 CG ARG A 17 -16.213 -14.376 0.773 1.00 16.66 C ATOM 274 CD ARG A 17 -16.306 -14.531 -0.746 1.00 50.00 C ATOM 275 NE ARG A 17 -15.598 -13.398 -1.404 1.00 50.00 N ATOM 276 CZ ARG A 17 -15.554 -13.325 -2.706 1.00 50.00 C ATOM 277 NH1 ARG A 17 -14.517 -13.788 -3.351 1.00 50.00 N ATOM 278 NH2 ARG A 17 -16.546 -12.791 -3.364 1.00 50.00 N ATOM 0 H ARG A 17 -14.489 -15.130 3.049 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.369 -14.863 3.063 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.351 -16.292 1.284 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -17.074 -16.350 0.967 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -17.024 -13.744 1.135 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.279 -13.883 1.042 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -15.863 -15.478 -1.054 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -17.350 -14.551 -1.057 1.00 50.00 H new ATOM 0 HE ARG A 17 -15.148 -12.679 -0.837 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -13.742 -14.207 -2.837 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -14.482 -13.731 -4.369 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -17.356 -12.430 -2.861 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -16.511 -12.734 -4.382 1.00 50.00 H new ATOM 292 N PHE A 18 -16.034 -17.748 3.886 1.00 16.66 N ATOM 293 CA PHE A 18 -16.373 -19.073 4.477 1.00 16.66 C ATOM 294 C PHE A 18 -17.020 -18.866 5.845 1.00 16.66 C ATOM 295 O PHE A 18 -18.061 -19.419 6.141 1.00 16.66 O ATOM 296 CB PHE A 18 -15.100 -19.906 4.633 1.00 16.66 C ATOM 297 CG PHE A 18 -14.706 -20.479 3.293 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.495 -21.468 2.694 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.549 -20.021 2.650 1.00 16.66 C ATOM 300 CE1 PHE A 18 -15.128 -22.000 1.452 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.182 -20.553 1.408 1.00 16.66 C ATOM 302 CZ PHE A 18 -13.972 -21.542 0.809 1.00 16.66 C ATOM 0 H PHE A 18 -15.037 -17.552 3.801 1.00 16.66 H new ATOM 0 HA PHE A 18 -17.068 -19.597 3.821 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.294 -19.287 5.027 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.264 -20.710 5.350 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.387 -21.821 3.190 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -12.940 -19.258 3.112 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.737 -22.763 0.990 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.290 -20.201 0.912 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.689 -21.952 -0.149 1.00 16.66 H new ATOM 312 N ASP A 19 -16.417 -18.068 6.679 1.00 16.66 N ATOM 313 CA ASP A 19 -17.005 -17.821 8.025 1.00 16.66 C ATOM 314 C ASP A 19 -18.421 -17.263 7.849 1.00 16.66 C ATOM 315 O ASP A 19 -18.607 -16.112 7.509 1.00 16.66 O ATOM 316 CB ASP A 19 -16.133 -16.818 8.788 1.00 16.66 C ATOM 317 CG ASP A 19 -16.355 -16.999 10.285 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.131 -17.865 10.636 1.00 16.66 O ATOM 319 OD2 ASP A 19 -15.741 -16.276 11.051 1.00 16.66 O ATOM 0 H ASP A 19 -15.544 -17.576 6.488 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.048 -18.751 8.593 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.082 -16.971 8.543 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.384 -15.800 8.491 1.00 16.66 H new ATOM 324 N ALA A 20 -19.421 -18.081 8.052 1.00 16.66 N ATOM 325 CA ALA A 20 -20.828 -17.615 7.869 1.00 16.66 C ATOM 326 C ALA A 20 -21.206 -16.569 8.922 1.00 16.66 C ATOM 327 O ALA A 20 -21.703 -15.509 8.594 1.00 16.66 O ATOM 328 CB ALA A 20 -21.773 -18.813 7.990 1.00 50.00 C ATOM 0 H ALA A 20 -19.323 -19.055 8.338 1.00 16.66 H new ATOM 0 HA ALA A 20 -20.914 -17.158 6.883 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.802 -18.479 7.857 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.528 -19.548 7.224 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.662 -19.266 8.975 1.00 50.00 H new ATOM 334 N ASN A 21 -20.993 -16.847 10.181 1.00 16.66 N ATOM 335 CA ASN A 21 -21.368 -15.846 11.221 1.00 16.66 C ATOM 336 C ASN A 21 -20.205 -14.879 11.448 1.00 16.66 C ATOM 337 O ASN A 21 -20.398 -13.743 11.834 1.00 16.66 O ATOM 338 CB ASN A 21 -21.740 -16.558 12.528 1.00 16.66 C ATOM 339 CG ASN A 21 -20.524 -17.265 13.131 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.618 -17.650 12.419 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.497 -17.447 14.422 1.00 16.66 N ATOM 0 H ASN A 21 -20.581 -17.712 10.531 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.234 -15.279 10.880 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.135 -15.834 13.241 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.531 -17.284 12.339 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -19.704 -17.921 14.854 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.269 -17.115 15.000 1.00 16.66 H new ATOM 348 N GLY A 22 -19.003 -15.311 11.196 1.00 16.66 N ATOM 349 CA GLY A 22 -17.836 -14.403 11.381 1.00 16.66 C ATOM 350 C GLY A 22 -17.319 -14.496 12.817 1.00 16.66 C ATOM 351 O GLY A 22 -16.921 -13.510 13.406 1.00 16.66 O ATOM 0 H GLY A 22 -18.777 -16.251 10.871 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.043 -14.671 10.683 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.125 -13.376 11.156 1.00 16.66 H new ATOM 355 N ASP A 23 -17.304 -15.670 13.383 1.00 16.66 N ATOM 356 CA ASP A 23 -16.790 -15.807 14.776 1.00 16.66 C ATOM 357 C ASP A 23 -15.304 -16.176 14.731 1.00 16.66 C ATOM 358 O ASP A 23 -14.683 -16.421 15.747 1.00 16.66 O ATOM 359 CB ASP A 23 -17.582 -16.877 15.538 1.00 16.66 C ATOM 360 CG ASP A 23 -17.446 -18.236 14.849 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.053 -18.261 13.698 1.00 16.66 O ATOM 362 OD2 ASP A 23 -17.749 -19.231 15.486 1.00 16.66 O ATOM 0 H ASP A 23 -17.622 -16.535 12.946 1.00 16.66 H new ATOM 0 HA ASP A 23 -16.912 -14.859 15.299 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.219 -16.945 16.564 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -18.633 -16.592 15.590 1.00 16.66 H new ATOM 367 N GLY A 24 -14.724 -16.197 13.558 1.00 16.66 N ATOM 368 CA GLY A 24 -13.275 -16.526 13.443 1.00 16.66 C ATOM 369 C GLY A 24 -13.085 -18.020 13.168 1.00 16.66 C ATOM 370 O GLY A 24 -11.987 -18.472 12.908 1.00 16.66 O ATOM 0 H GLY A 24 -15.194 -16.000 12.675 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -12.826 -15.942 12.639 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -12.759 -16.251 14.363 1.00 16.66 H new ATOM 374 N LYS A 25 -14.131 -18.796 13.234 1.00 16.66 N ATOM 375 CA LYS A 25 -13.982 -20.258 12.987 1.00 16.66 C ATOM 376 C LYS A 25 -15.025 -20.727 11.971 1.00 16.66 C ATOM 377 O LYS A 25 -16.165 -20.286 11.972 1.00 16.66 O ATOM 378 CB LYS A 25 -14.169 -21.020 14.303 1.00 50.00 C ATOM 379 CG LYS A 25 -15.623 -20.907 14.757 1.00 50.00 C ATOM 380 CD LYS A 25 -15.873 -21.886 15.906 1.00 50.00 C ATOM 381 CE LYS A 25 -17.379 -22.036 16.125 1.00 50.00 C ATOM 382 NZ LYS A 25 -18.060 -22.181 14.807 1.00 50.00 N ATOM 0 H LYS A 25 -15.078 -18.483 13.447 1.00 16.66 H new ATOM 0 HA LYS A 25 -12.986 -20.453 12.590 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -13.899 -22.068 14.170 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.506 -20.615 15.067 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -15.837 -19.888 15.080 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.293 -21.126 13.926 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.429 -22.855 15.676 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.396 -21.525 16.817 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -17.582 -22.906 16.749 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -17.769 -21.167 16.654 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -19.028 -22.533 14.953 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -18.096 -21.257 14.331 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -17.532 -22.855 14.216 1.00 50.00 H new ATOM 396 N ILE A 26 -14.640 -21.627 11.107 1.00 16.66 N ATOM 397 CA ILE A 26 -15.589 -22.146 10.085 1.00 16.66 C ATOM 398 C ILE A 26 -15.904 -23.612 10.378 1.00 16.66 C ATOM 399 O ILE A 26 -15.025 -24.409 10.643 1.00 16.66 O ATOM 400 CB ILE A 26 -14.956 -22.032 8.699 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.182 -20.718 8.598 1.00 16.66 C ATOM 402 CG2 ILE A 26 -16.052 -22.059 7.633 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.611 -20.579 7.187 1.00 16.66 C ATOM 0 H ILE A 26 -13.702 -22.026 11.066 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.509 -21.563 10.116 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.275 -22.869 8.542 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -14.838 -19.877 8.822 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.377 -20.699 9.333 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.600 -21.978 6.644 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.605 -22.996 7.703 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.733 -21.223 7.790 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.058 -19.643 7.109 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -12.942 -21.414 6.981 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.426 -20.580 6.463 1.00 16.66 H new ATOM 415 N SER A 27 -17.154 -23.972 10.330 1.00 16.66 N ATOM 416 CA SER A 27 -17.540 -25.383 10.599 1.00 16.66 C ATOM 417 C SER A 27 -17.918 -26.050 9.279 1.00 16.66 C ATOM 418 O SER A 27 -18.111 -25.391 8.277 1.00 16.66 O ATOM 419 CB SER A 27 -18.741 -25.411 11.547 1.00 50.00 C ATOM 420 OG SER A 27 -19.934 -25.206 10.804 1.00 50.00 O ATOM 0 H SER A 27 -17.930 -23.346 10.115 1.00 16.66 H new ATOM 0 HA SER A 27 -16.707 -25.915 11.058 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.784 -26.367 12.069 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.636 -24.637 12.308 1.00 50.00 H new ATOM 0 HG SER A 27 -20.704 -25.225 11.410 1.00 50.00 H new ATOM 426 N ALA A 28 -18.031 -27.347 9.262 1.00 16.66 N ATOM 427 CA ALA A 28 -18.401 -28.031 7.995 1.00 16.66 C ATOM 428 C ALA A 28 -19.630 -27.346 7.405 1.00 16.66 C ATOM 429 O ALA A 28 -19.691 -27.060 6.226 1.00 16.66 O ATOM 430 CB ALA A 28 -18.715 -29.502 8.275 1.00 50.00 C ATOM 0 H ALA A 28 -17.884 -27.959 10.065 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.572 -27.974 7.289 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -18.986 -30.000 7.344 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.837 -29.986 8.704 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.546 -29.569 8.977 1.00 50.00 H new ATOM 436 N ALA A 29 -20.611 -27.079 8.217 1.00 16.66 N ATOM 437 CA ALA A 29 -21.839 -26.410 7.707 1.00 16.66 C ATOM 438 C ALA A 29 -21.460 -25.083 7.051 1.00 16.66 C ATOM 439 O ALA A 29 -21.992 -24.714 6.023 1.00 16.66 O ATOM 440 CB ALA A 29 -22.800 -26.150 8.869 1.00 50.00 C ATOM 0 H ALA A 29 -20.617 -27.295 9.214 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.325 -27.053 6.973 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.699 -25.660 8.495 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -23.070 -27.097 9.336 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.316 -25.508 9.605 1.00 50.00 H new ATOM 446 N GLU A 30 -20.545 -24.361 7.635 1.00 16.66 N ATOM 447 CA GLU A 30 -20.138 -23.061 7.038 1.00 16.66 C ATOM 448 C GLU A 30 -19.270 -23.318 5.808 1.00 16.66 C ATOM 449 O GLU A 30 -19.548 -22.831 4.730 1.00 16.66 O ATOM 450 CB GLU A 30 -19.352 -22.245 8.069 1.00 16.66 C ATOM 451 CG GLU A 30 -20.274 -21.875 9.235 1.00 16.66 C ATOM 452 CD GLU A 30 -19.509 -21.010 10.242 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.486 -21.452 10.715 1.00 16.66 O ATOM 454 OE2 GLU A 30 -19.961 -19.922 10.525 1.00 16.66 O ATOM 0 H GLU A 30 -20.063 -24.615 8.497 1.00 16.66 H new ATOM 0 HA GLU A 30 -21.025 -22.501 6.742 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.501 -22.821 8.433 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -18.952 -21.343 7.607 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.146 -21.335 8.865 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.641 -22.778 9.722 1.00 16.66 H new ATOM 461 N LEU A 31 -18.223 -24.078 5.955 1.00 16.66 N ATOM 462 CA LEU A 31 -17.345 -24.362 4.786 1.00 16.66 C ATOM 463 C LEU A 31 -18.155 -25.100 3.722 1.00 16.66 C ATOM 464 O LEU A 31 -18.067 -24.811 2.545 1.00 16.66 O ATOM 465 CB LEU A 31 -16.167 -25.231 5.229 1.00 16.66 C ATOM 466 CG LEU A 31 -15.329 -25.616 4.008 1.00 16.66 C ATOM 467 CD1 LEU A 31 -14.765 -24.351 3.357 1.00 16.66 C ATOM 468 CD2 LEU A 31 -14.175 -26.521 4.446 1.00 16.66 C ATOM 0 H LEU A 31 -17.937 -24.514 6.831 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.965 -23.427 4.375 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.553 -24.690 5.949 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.531 -26.128 5.731 1.00 16.66 H new ATOM 0 HG LEU A 31 -15.955 -26.146 3.290 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -14.168 -24.625 2.487 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -15.586 -23.705 3.045 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -14.139 -23.821 4.075 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -13.578 -26.796 3.577 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -13.549 -25.991 5.164 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -14.575 -27.422 4.910 1.00 16.66 H new ATOM 480 N GLY A 32 -18.948 -26.050 4.130 1.00 16.66 N ATOM 481 CA GLY A 32 -19.770 -26.805 3.148 1.00 16.66 C ATOM 482 C GLY A 32 -20.738 -25.845 2.458 1.00 16.66 C ATOM 483 O GLY A 32 -20.920 -25.888 1.257 1.00 16.66 O ATOM 0 H GLY A 32 -19.062 -26.336 5.102 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -19.127 -27.284 2.410 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -20.323 -27.598 3.652 1.00 16.66 H new ATOM 487 N GLU A 33 -21.363 -24.982 3.208 1.00 16.66 N ATOM 488 CA GLU A 33 -22.324 -24.024 2.598 1.00 16.66 C ATOM 489 C GLU A 33 -21.617 -23.195 1.530 1.00 16.66 C ATOM 490 O GLU A 33 -22.137 -22.980 0.454 1.00 16.66 O ATOM 491 CB GLU A 33 -22.876 -23.098 3.681 1.00 50.00 C ATOM 492 CG GLU A 33 -24.168 -23.688 4.248 1.00 50.00 C ATOM 493 CD GLU A 33 -24.787 -22.701 5.240 1.00 50.00 C ATOM 494 OE1 GLU A 33 -24.215 -21.640 5.424 1.00 50.00 O ATOM 495 OE2 GLU A 33 -25.822 -23.024 5.799 1.00 50.00 O ATOM 0 H GLU A 33 -21.249 -24.899 4.218 1.00 16.66 H new ATOM 0 HA GLU A 33 -23.143 -24.578 2.139 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -22.141 -22.973 4.476 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -23.067 -22.109 3.265 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -24.870 -23.897 3.441 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -23.961 -24.636 4.744 1.00 50.00 H new ATOM 502 N ALA A 34 -20.432 -22.735 1.809 1.00 16.66 N ATOM 503 CA ALA A 34 -19.698 -21.932 0.795 1.00 16.66 C ATOM 504 C ALA A 34 -19.241 -22.864 -0.323 1.00 16.66 C ATOM 505 O ALA A 34 -19.282 -22.525 -1.489 1.00 16.66 O ATOM 506 CB ALA A 34 -18.480 -21.272 1.445 1.00 50.00 C ATOM 0 H ALA A 34 -19.941 -22.879 2.691 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.348 -21.155 0.392 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.944 -20.684 0.700 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.808 -20.620 2.254 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.819 -22.041 1.844 1.00 50.00 H new ATOM 512 N LEU A 35 -18.805 -24.039 0.031 1.00 99.99 N ATOM 513 CA LEU A 35 -18.342 -25.006 -0.999 1.00 99.99 C ATOM 514 C LEU A 35 -19.480 -25.303 -1.975 1.00 99.99 C ATOM 515 O LEU A 35 -19.257 -25.536 -3.147 1.00 99.99 O ATOM 516 CB LEU A 35 -17.899 -26.302 -0.319 1.00 99.99 C ATOM 517 CG LEU A 35 -16.390 -26.256 -0.066 1.00 99.99 C ATOM 518 CD1 LEU A 35 -16.053 -27.102 1.164 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.650 -26.810 -1.285 1.00 99.99 C ATOM 0 H LEU A 35 -18.749 -24.372 0.993 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.502 -24.577 -1.546 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.433 -26.432 0.623 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -18.147 -27.158 -0.947 1.00 99.99 H new ATOM 0 HG LEU A 35 -16.082 -25.225 0.107 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.979 -27.070 1.345 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.579 -26.707 2.033 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -16.361 -28.133 0.992 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.576 -26.777 -1.104 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.957 -27.841 -1.459 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.889 -26.207 -2.161 1.00 99.99 H new ATOM 531 N LYS A 36 -20.701 -25.300 -1.510 1.00 99.99 N ATOM 532 CA LYS A 36 -21.841 -25.585 -2.424 1.00 99.99 C ATOM 533 C LYS A 36 -21.655 -24.805 -3.726 1.00 99.99 C ATOM 534 O LYS A 36 -22.142 -25.194 -4.770 1.00 99.99 O ATOM 535 CB LYS A 36 -23.150 -25.158 -1.757 1.00 99.99 C ATOM 536 CG LYS A 36 -23.880 -26.393 -1.226 1.00 99.99 C ATOM 537 CD LYS A 36 -25.213 -25.970 -0.604 1.00 99.99 C ATOM 538 CE LYS A 36 -25.540 -26.886 0.577 1.00 99.99 C ATOM 539 NZ LYS A 36 -26.883 -26.538 1.119 1.00 99.99 N ATOM 0 H LYS A 36 -20.956 -25.113 -0.540 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.876 -26.653 -2.640 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.945 -24.465 -0.941 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.780 -24.630 -2.473 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -24.053 -27.102 -2.035 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -23.265 -26.901 -0.483 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -25.158 -24.934 -0.270 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -26.007 -26.023 -1.349 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -25.524 -27.928 0.258 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -24.783 -26.779 1.354 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -27.105 -27.161 1.922 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -26.883 -25.548 1.438 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -27.600 -26.662 0.376 1.00 99.99 H new ATOM 553 N THR A 37 -20.956 -23.705 -3.674 1.00 99.99 N ATOM 554 CA THR A 37 -20.740 -22.899 -4.906 1.00 99.99 C ATOM 555 C THR A 37 -20.201 -23.804 -6.012 1.00 99.99 C ATOM 556 O THR A 37 -20.369 -23.538 -7.186 1.00 99.99 O ATOM 557 CB THR A 37 -19.729 -21.787 -4.614 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.736 -20.850 -5.682 1.00 99.99 O ATOM 559 CG2 THR A 37 -18.330 -22.389 -4.468 1.00 99.99 C ATOM 0 H THR A 37 -20.525 -23.330 -2.829 1.00 99.99 H new ATOM 0 HA THR A 37 -21.683 -22.456 -5.226 1.00 99.99 H new ATOM 0 HB THR A 37 -20.002 -21.283 -3.687 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.762 -19.940 -5.319 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.612 -21.595 -4.260 1.00 99.99 H new ATOM 0 HG22 THR A 37 -18.326 -23.106 -3.647 1.00 99.99 H new ATOM 0 HG23 THR A 37 -18.053 -22.895 -5.393 1.00 99.99 H new ATOM 567 N LEU A 38 -19.555 -24.875 -5.645 1.00 16.66 N ATOM 568 CA LEU A 38 -19.006 -25.802 -6.673 1.00 16.66 C ATOM 569 C LEU A 38 -20.159 -26.409 -7.474 1.00 16.66 C ATOM 570 O LEU A 38 -20.033 -26.686 -8.650 1.00 16.66 O ATOM 571 CB LEU A 38 -18.215 -26.917 -5.985 1.00 50.00 C ATOM 572 CG LEU A 38 -16.951 -26.330 -5.354 1.00 50.00 C ATOM 573 CD1 LEU A 38 -16.828 -26.817 -3.909 1.00 50.00 C ATOM 574 CD2 LEU A 38 -15.725 -26.782 -6.150 1.00 50.00 C ATOM 0 H LEU A 38 -19.383 -25.149 -4.677 1.00 16.66 H new ATOM 0 HA LEU A 38 -18.346 -25.254 -7.345 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.828 -27.394 -5.221 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -17.949 -27.688 -6.708 1.00 50.00 H new ATOM 0 HG LEU A 38 -17.012 -25.242 -5.367 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -15.927 -26.399 -3.460 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -17.701 -26.495 -3.341 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -16.768 -27.905 -3.896 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -14.825 -26.364 -5.700 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.664 -27.870 -6.138 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -15.811 -26.435 -7.180 1.00 50.00 H new ATOM 586 N GLY A 39 -21.283 -26.613 -6.845 1.00 16.66 N ATOM 587 CA GLY A 39 -22.449 -27.197 -7.566 1.00 16.66 C ATOM 588 C GLY A 39 -22.166 -28.663 -7.904 1.00 16.66 C ATOM 589 O GLY A 39 -22.936 -29.310 -8.584 1.00 16.66 O ATOM 0 H GLY A 39 -21.445 -26.400 -5.861 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -23.345 -27.122 -6.949 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -22.643 -26.634 -8.479 1.00 16.66 H new ATOM 593 N SER A 40 -21.069 -29.192 -7.437 1.00 16.66 N ATOM 594 CA SER A 40 -20.746 -30.614 -7.738 1.00 16.66 C ATOM 595 C SER A 40 -19.854 -31.185 -6.635 1.00 16.66 C ATOM 596 O SER A 40 -18.806 -31.741 -6.897 1.00 16.66 O ATOM 597 CB SER A 40 -20.014 -30.696 -9.077 1.00 16.66 C ATOM 598 OG SER A 40 -20.844 -31.341 -10.032 1.00 16.66 O ATOM 0 H SER A 40 -20.384 -28.702 -6.861 1.00 16.66 H new ATOM 0 HA SER A 40 -21.669 -31.191 -7.790 1.00 16.66 H new ATOM 0 HB2 SER A 40 -19.753 -29.696 -9.423 1.00 16.66 H new ATOM 0 HB3 SER A 40 -19.080 -31.246 -8.960 1.00 16.66 H new ATOM 0 HG SER A 40 -20.375 -31.392 -10.891 1.00 16.66 H new ATOM 604 N ILE A 41 -20.260 -31.056 -5.402 1.00 16.66 N ATOM 605 CA ILE A 41 -19.432 -31.598 -4.289 1.00 16.66 C ATOM 606 C ILE A 41 -20.339 -32.291 -3.269 1.00 16.66 C ATOM 607 O ILE A 41 -21.548 -32.185 -3.324 1.00 16.66 O ATOM 608 CB ILE A 41 -18.662 -30.454 -3.612 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.473 -31.029 -2.839 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.581 -29.703 -2.643 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.504 -29.902 -2.480 1.00 16.66 C ATOM 0 H ILE A 41 -21.127 -30.600 -5.118 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.719 -32.321 -4.685 1.00 16.66 H new ATOM 0 HB ILE A 41 -18.307 -29.763 -4.376 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -17.821 -31.526 -1.933 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -16.964 -31.782 -3.441 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -19.026 -28.894 -2.168 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.427 -29.289 -3.191 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.944 -30.391 -1.879 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.657 -30.312 -1.929 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -16.147 -29.425 -3.393 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -17.016 -29.165 -1.862 1.00 16.66 H new ATOM 623 N THR A 42 -19.762 -32.994 -2.337 1.00 16.66 N ATOM 624 CA THR A 42 -20.584 -33.688 -1.309 1.00 16.66 C ATOM 625 C THR A 42 -20.151 -33.204 0.069 1.00 16.66 C ATOM 626 O THR A 42 -19.087 -32.641 0.231 1.00 16.66 O ATOM 627 CB THR A 42 -20.377 -35.211 -1.399 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.582 -35.650 -0.305 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.673 -35.573 -2.709 1.00 16.66 C ATOM 0 H THR A 42 -18.754 -33.118 -2.242 1.00 16.66 H new ATOM 0 HA THR A 42 -21.638 -33.465 -1.477 1.00 16.66 H new ATOM 0 HB THR A 42 -21.351 -35.700 -1.368 1.00 16.66 H new ATOM 0 HG1 THR A 42 -19.063 -36.437 -0.573 1.00 16.66 H new ATOM 0 HG21 THR A 42 -19.533 -36.653 -2.760 1.00 16.66 H new ATOM 0 HG22 THR A 42 -20.282 -35.246 -3.552 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.702 -35.079 -2.749 1.00 16.66 H new ATOM 637 N PRO A 43 -20.982 -33.447 1.087 1.00 16.66 N ATOM 638 CA PRO A 43 -20.665 -33.052 2.457 1.00 16.66 C ATOM 639 C PRO A 43 -19.498 -33.882 2.984 1.00 16.66 C ATOM 640 O PRO A 43 -18.687 -33.420 3.762 1.00 16.66 O ATOM 641 CB PRO A 43 -21.945 -33.371 3.229 1.00 50.00 C ATOM 642 CG PRO A 43 -22.611 -34.433 2.422 1.00 50.00 C ATOM 643 CD PRO A 43 -22.285 -34.125 0.988 1.00 50.00 C ATOM 0 HA PRO A 43 -20.369 -32.007 2.546 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.724 -33.719 4.238 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.580 -32.490 3.327 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -22.248 -35.422 2.702 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.688 -34.431 2.587 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -22.225 -35.030 0.384 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -23.040 -33.486 0.530 1.00 50.00 H new ATOM 651 N ASP A 44 -19.417 -35.113 2.561 1.00 16.66 N ATOM 652 CA ASP A 44 -18.314 -35.995 3.027 1.00 16.66 C ATOM 653 C ASP A 44 -16.971 -35.450 2.540 1.00 16.66 C ATOM 654 O ASP A 44 -15.942 -35.699 3.136 1.00 16.66 O ATOM 655 CB ASP A 44 -18.523 -37.406 2.475 1.00 50.00 C ATOM 656 CG ASP A 44 -19.758 -38.030 3.128 1.00 50.00 C ATOM 657 OD1 ASP A 44 -20.369 -37.365 3.949 1.00 50.00 O ATOM 658 OD2 ASP A 44 -20.072 -39.161 2.796 1.00 50.00 O ATOM 0 H ASP A 44 -20.071 -35.547 1.910 1.00 16.66 H new ATOM 0 HA ASP A 44 -18.314 -36.025 4.117 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -18.649 -37.370 1.393 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.644 -38.020 2.673 1.00 50.00 H new ATOM 663 N GLU A 45 -16.961 -34.701 1.469 1.00 16.66 N ATOM 664 CA GLU A 45 -15.674 -34.146 0.973 1.00 16.66 C ATOM 665 C GLU A 45 -15.366 -32.877 1.759 1.00 16.66 C ATOM 666 O GLU A 45 -14.232 -32.594 2.090 1.00 16.66 O ATOM 667 CB GLU A 45 -15.795 -33.816 -0.516 1.00 16.66 C ATOM 668 CG GLU A 45 -15.883 -35.115 -1.320 1.00 16.66 C ATOM 669 CD GLU A 45 -15.850 -34.794 -2.815 1.00 16.66 C ATOM 670 OE1 GLU A 45 -15.830 -33.620 -3.149 1.00 16.66 O ATOM 671 OE2 GLU A 45 -15.844 -35.727 -3.602 1.00 16.66 O ATOM 0 H GLU A 45 -17.785 -34.452 0.921 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.873 -34.874 1.107 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.680 -33.205 -0.693 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.934 -33.232 -0.841 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -15.053 -35.773 -1.060 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -16.801 -35.647 -1.072 1.00 16.66 H new ATOM 678 N VAL A 46 -16.378 -32.118 2.070 1.00 16.66 N ATOM 679 CA VAL A 46 -16.160 -30.870 2.849 1.00 16.66 C ATOM 680 C VAL A 46 -15.732 -31.240 4.268 1.00 16.66 C ATOM 681 O VAL A 46 -14.904 -30.586 4.871 1.00 16.66 O ATOM 682 CB VAL A 46 -17.459 -30.065 2.896 1.00 50.00 C ATOM 683 CG1 VAL A 46 -17.300 -28.890 3.864 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.772 -29.537 1.497 1.00 50.00 C ATOM 0 H VAL A 46 -17.348 -32.309 1.818 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.384 -30.268 2.376 1.00 16.66 H new ATOM 0 HB VAL A 46 -18.274 -30.703 3.238 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -18.227 -28.317 3.896 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -17.072 -29.268 4.861 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.488 -28.247 3.525 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.698 -28.962 1.524 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -16.957 -28.897 1.159 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.885 -30.375 0.809 1.00 50.00 H new ATOM 694 N LYS A 47 -16.285 -32.294 4.800 1.00 16.66 N ATOM 695 CA LYS A 47 -15.905 -32.720 6.174 1.00 16.66 C ATOM 696 C LYS A 47 -14.459 -33.210 6.155 1.00 16.66 C ATOM 697 O LYS A 47 -13.690 -32.952 7.060 1.00 16.66 O ATOM 698 CB LYS A 47 -16.826 -33.852 6.634 1.00 16.66 C ATOM 699 CG LYS A 47 -16.296 -34.439 7.944 1.00 16.66 C ATOM 700 CD LYS A 47 -17.236 -35.547 8.423 1.00 16.66 C ATOM 701 CE LYS A 47 -16.989 -36.815 7.604 1.00 50.00 C ATOM 702 NZ LYS A 47 -17.459 -38.003 8.372 1.00 50.00 N ATOM 0 H LYS A 47 -16.984 -32.879 4.342 1.00 16.66 H new ATOM 0 HA LYS A 47 -16.002 -31.881 6.863 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -17.839 -33.476 6.775 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -16.877 -34.627 5.870 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -15.292 -34.837 7.797 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -16.221 -33.658 8.701 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -17.070 -35.747 9.482 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.273 -35.229 8.317 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -17.515 -36.753 6.651 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -15.927 -36.913 7.376 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -17.291 -38.865 7.815 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -16.938 -38.064 9.270 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -18.476 -37.910 8.567 1.00 50.00 H new ATOM 716 N HIS A 48 -14.083 -33.912 5.122 1.00 16.66 N ATOM 717 CA HIS A 48 -12.686 -34.417 5.030 1.00 16.66 C ATOM 718 C HIS A 48 -11.729 -33.230 4.913 1.00 16.66 C ATOM 719 O HIS A 48 -10.664 -33.218 5.500 1.00 16.66 O ATOM 720 CB HIS A 48 -12.546 -35.310 3.796 1.00 16.66 C ATOM 721 CG HIS A 48 -11.134 -35.822 3.704 1.00 16.66 C ATOM 722 ND1 HIS A 48 -10.442 -35.870 2.504 1.00 16.66 N ATOM 723 CD2 HIS A 48 -10.272 -36.311 4.654 1.00 16.66 C ATOM 724 CE1 HIS A 48 -9.220 -36.372 2.760 1.00 50.00 C ATOM 725 NE2 HIS A 48 -9.064 -36.657 4.056 1.00 50.00 N ATOM 0 H HIS A 48 -14.685 -34.158 4.336 1.00 16.66 H new ATOM 0 HA HIS A 48 -12.446 -34.995 5.922 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -13.244 -36.145 3.858 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.800 -34.748 2.897 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -10.497 -36.412 5.705 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -8.459 -36.526 2.010 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -8.237 -37.045 4.510 1.00 50.00 H new ATOM 733 N MET A 49 -12.101 -32.225 4.166 1.00 16.66 N ATOM 734 CA MET A 49 -11.214 -31.042 4.023 1.00 16.66 C ATOM 735 C MET A 49 -10.956 -30.449 5.405 1.00 16.66 C ATOM 736 O MET A 49 -9.844 -30.100 5.749 1.00 16.66 O ATOM 737 CB MET A 49 -11.898 -30.003 3.137 1.00 16.66 C ATOM 738 CG MET A 49 -11.678 -30.363 1.666 1.00 16.66 C ATOM 739 SD MET A 49 -11.935 -28.894 0.640 1.00 16.66 S ATOM 740 CE MET A 49 -12.644 -29.741 -0.794 1.00 16.66 C ATOM 0 H MET A 49 -12.980 -32.175 3.651 1.00 16.66 H new ATOM 0 HA MET A 49 -10.268 -31.336 3.568 1.00 16.66 H new ATOM 0 HB2 MET A 49 -12.965 -29.967 3.358 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.496 -29.011 3.344 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.669 -30.748 1.522 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.366 -31.153 1.367 1.00 16.66 H new ATOM 0 HE1 MET A 49 -12.883 -29.010 -1.567 1.00 16.66 H new ATOM 0 HE2 MET A 49 -11.924 -30.460 -1.185 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.553 -30.263 -0.495 1.00 16.66 H new ATOM 750 N MET A 50 -11.980 -30.341 6.201 1.00 16.66 N ATOM 751 CA MET A 50 -11.810 -29.780 7.566 1.00 16.66 C ATOM 752 C MET A 50 -10.858 -30.673 8.359 1.00 16.66 C ATOM 753 O MET A 50 -9.929 -30.209 8.985 1.00 16.66 O ATOM 754 CB MET A 50 -13.170 -29.733 8.261 1.00 16.66 C ATOM 755 CG MET A 50 -13.959 -28.524 7.755 1.00 16.66 C ATOM 756 SD MET A 50 -15.356 -28.209 8.861 1.00 16.66 S ATOM 757 CE MET A 50 -14.402 -27.544 10.246 1.00 50.00 C ATOM 0 H MET A 50 -12.932 -30.619 5.963 1.00 16.66 H new ATOM 0 HA MET A 50 -11.398 -28.773 7.506 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.724 -30.651 8.063 1.00 16.66 H new ATOM 0 HB3 MET A 50 -13.037 -29.668 9.341 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.313 -27.648 7.710 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.318 -28.708 6.742 1.00 16.66 H new ATOM 0 HE1 MET A 50 -15.041 -26.904 10.854 1.00 50.00 H new ATOM 0 HE2 MET A 50 -14.025 -28.365 10.856 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.564 -26.961 9.864 1.00 50.00 H new ATOM 767 N ALA A 51 -11.080 -31.954 8.329 1.00 16.66 N ATOM 768 CA ALA A 51 -10.186 -32.885 9.073 1.00 16.66 C ATOM 769 C ALA A 51 -8.749 -32.701 8.583 1.00 16.66 C ATOM 770 O ALA A 51 -7.801 -33.048 9.260 1.00 16.66 O ATOM 771 CB ALA A 51 -10.630 -34.328 8.824 1.00 50.00 C ATOM 0 H ALA A 51 -11.844 -32.400 7.821 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.240 -32.670 10.140 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -9.976 -35.009 9.368 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.656 -34.458 9.168 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.575 -34.547 7.758 1.00 50.00 H new ATOM 777 N GLU A 52 -8.581 -32.154 7.410 1.00 16.66 N ATOM 778 CA GLU A 52 -7.206 -31.944 6.875 1.00 16.66 C ATOM 779 C GLU A 52 -6.776 -30.504 7.151 1.00 16.66 C ATOM 780 O GLU A 52 -5.628 -30.230 7.440 1.00 16.66 O ATOM 781 CB GLU A 52 -7.199 -32.200 5.367 1.00 16.66 C ATOM 782 CG GLU A 52 -7.065 -33.702 5.107 1.00 16.66 C ATOM 783 CD GLU A 52 -6.759 -33.938 3.627 1.00 16.66 C ATOM 784 OE1 GLU A 52 -6.613 -32.962 2.909 1.00 16.66 O ATOM 785 OE2 GLU A 52 -6.677 -35.091 3.236 1.00 16.66 O ATOM 0 H GLU A 52 -9.337 -31.843 6.799 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.514 -32.633 7.360 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -8.118 -31.823 4.919 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.373 -31.664 4.900 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -6.270 -34.119 5.725 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -7.986 -34.214 5.385 1.00 16.66 H new ATOM 792 N ILE A 53 -7.693 -29.583 7.065 1.00 16.66 N ATOM 793 CA ILE A 53 -7.352 -28.159 7.322 1.00 16.66 C ATOM 794 C ILE A 53 -7.345 -27.895 8.829 1.00 16.66 C ATOM 795 O ILE A 53 -6.586 -27.087 9.326 1.00 16.66 O ATOM 796 CB ILE A 53 -8.402 -27.276 6.658 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.401 -27.538 5.153 1.00 16.66 C ATOM 798 CG2 ILE A 53 -8.073 -25.811 6.930 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.541 -26.758 4.500 1.00 50.00 C ATOM 0 H ILE A 53 -8.669 -29.757 6.826 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.365 -27.937 6.915 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.388 -27.504 7.063 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.446 -27.237 4.721 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.517 -28.604 4.958 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.822 -25.176 6.457 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -8.072 -25.632 8.005 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -7.089 -25.577 6.523 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.541 -26.944 3.426 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.492 -27.080 4.924 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.404 -25.692 4.683 1.00 50.00 H new ATOM 811 N ASP A 54 -8.182 -28.577 9.557 1.00 16.66 N ATOM 812 CA ASP A 54 -8.235 -28.384 11.031 1.00 16.66 C ATOM 813 C ASP A 54 -6.867 -28.731 11.628 1.00 16.66 C ATOM 814 O ASP A 54 -6.521 -29.885 11.784 1.00 16.66 O ATOM 815 CB ASP A 54 -9.311 -29.315 11.596 1.00 16.66 C ATOM 816 CG ASP A 54 -9.835 -28.773 12.928 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.370 -27.729 13.348 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.703 -29.410 13.501 1.00 16.66 O ATOM 0 H ASP A 54 -8.838 -29.267 9.190 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.477 -27.351 11.280 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -10.132 -29.407 10.885 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -8.899 -30.314 11.739 1.00 16.66 H new ATOM 823 N THR A 55 -6.080 -27.738 11.942 1.00 16.66 N ATOM 824 CA THR A 55 -4.723 -28.000 12.506 1.00 16.66 C ATOM 825 C THR A 55 -4.825 -28.558 13.926 1.00 16.66 C ATOM 826 O THR A 55 -4.172 -29.523 14.270 1.00 16.66 O ATOM 827 CB THR A 55 -3.928 -26.694 12.534 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.647 -25.721 13.279 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.715 -26.193 11.105 1.00 50.00 C ATOM 0 H THR A 55 -6.319 -26.752 11.832 1.00 16.66 H new ATOM 0 HA THR A 55 -4.219 -28.734 11.877 1.00 16.66 H new ATOM 0 HB THR A 55 -2.959 -26.867 13.002 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.601 -25.944 13.273 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.148 -25.262 11.126 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.163 -26.941 10.536 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.682 -26.018 10.633 1.00 50.00 H new ATOM 837 N ASP A 56 -5.628 -27.959 14.756 1.00 16.66 N ATOM 838 CA ASP A 56 -5.754 -28.461 16.156 1.00 16.66 C ATOM 839 C ASP A 56 -6.814 -29.564 16.211 1.00 16.66 C ATOM 840 O ASP A 56 -6.663 -30.551 16.905 1.00 16.66 O ATOM 841 CB ASP A 56 -6.144 -27.304 17.083 1.00 16.66 C ATOM 842 CG ASP A 56 -7.642 -27.023 16.967 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.069 -26.611 15.902 1.00 16.66 O ATOM 844 OD2 ASP A 56 -8.336 -27.227 17.948 1.00 16.66 O ATOM 0 H ASP A 56 -6.202 -27.147 14.530 1.00 16.66 H new ATOM 0 HA ASP A 56 -4.799 -28.871 16.485 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -5.891 -27.552 18.114 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.577 -26.411 16.822 1.00 16.66 H new ATOM 849 N GLY A 57 -7.876 -29.410 15.473 1.00 16.66 N ATOM 850 CA GLY A 57 -8.936 -30.457 15.468 1.00 16.66 C ATOM 851 C GLY A 57 -10.112 -30.038 16.355 1.00 16.66 C ATOM 852 O GLY A 57 -10.810 -30.872 16.898 1.00 16.66 O ATOM 0 H GLY A 57 -8.057 -28.605 14.873 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.284 -30.625 14.449 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.524 -31.401 15.824 1.00 16.66 H new ATOM 856 N ASP A 58 -10.356 -28.763 16.504 1.00 16.66 N ATOM 857 CA ASP A 58 -11.506 -28.332 17.351 1.00 16.66 C ATOM 858 C ASP A 58 -12.798 -28.448 16.540 1.00 16.66 C ATOM 859 O ASP A 58 -13.880 -28.212 17.040 1.00 16.66 O ATOM 860 CB ASP A 58 -11.317 -26.882 17.805 1.00 50.00 C ATOM 861 CG ASP A 58 -11.485 -25.943 16.612 1.00 50.00 C ATOM 862 OD1 ASP A 58 -10.946 -26.249 15.564 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.151 -24.933 16.767 1.00 50.00 O ATOM 0 H ASP A 58 -9.815 -28.009 16.081 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.561 -28.972 18.232 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -12.044 -26.636 18.579 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.328 -26.754 18.244 1.00 50.00 H new ATOM 868 N GLY A 59 -12.696 -28.817 15.290 1.00 16.66 N ATOM 869 CA GLY A 59 -13.918 -28.956 14.451 1.00 16.66 C ATOM 870 C GLY A 59 -14.092 -27.714 13.573 1.00 16.66 C ATOM 871 O GLY A 59 -14.982 -27.650 12.748 1.00 16.66 O ATOM 0 H GLY A 59 -11.818 -29.028 14.816 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -13.841 -29.846 13.826 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -14.793 -29.088 15.087 1.00 16.66 H new ATOM 875 N PHE A 60 -13.261 -26.721 13.745 1.00 16.66 N ATOM 876 CA PHE A 60 -13.405 -25.491 12.917 1.00 16.66 C ATOM 877 C PHE A 60 -12.051 -25.026 12.371 1.00 16.66 C ATOM 878 O PHE A 60 -10.989 -25.312 12.920 1.00 16.66 O ATOM 879 CB PHE A 60 -13.997 -24.367 13.767 1.00 50.00 C ATOM 880 CG PHE A 60 -15.222 -24.862 14.491 1.00 50.00 C ATOM 881 CD1 PHE A 60 -16.460 -24.873 13.840 1.00 50.00 C ATOM 882 CD2 PHE A 60 -15.123 -25.304 15.815 1.00 50.00 C ATOM 883 CE1 PHE A 60 -17.599 -25.327 14.512 1.00 50.00 C ATOM 884 CE2 PHE A 60 -16.261 -25.758 16.488 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.500 -25.770 15.837 1.00 50.00 C ATOM 0 H PHE A 60 -12.495 -26.709 14.418 1.00 16.66 H new ATOM 0 HA PHE A 60 -14.062 -25.727 12.080 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.257 -24.014 14.485 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.256 -23.518 13.134 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -16.536 -24.531 12.818 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -14.167 -25.294 16.317 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -18.555 -25.336 14.009 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -16.184 -26.099 17.510 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.380 -26.121 16.356 1.00 50.00 H new ATOM 895 N ILE A 61 -12.092 -24.282 11.298 1.00 16.66 N ATOM 896 CA ILE A 61 -10.846 -23.751 10.697 1.00 16.66 C ATOM 897 C ILE A 61 -10.789 -22.246 10.966 1.00 16.66 C ATOM 898 O ILE A 61 -11.739 -21.529 10.718 1.00 16.66 O ATOM 899 CB ILE A 61 -10.860 -23.996 9.186 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.168 -25.470 8.906 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.493 -23.637 8.602 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.159 -26.354 9.641 1.00 16.66 C ATOM 0 H ILE A 61 -12.949 -24.020 10.811 1.00 16.66 H new ATOM 0 HA ILE A 61 -9.978 -24.248 11.130 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.628 -23.375 8.724 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.181 -25.709 9.232 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.124 -25.664 7.834 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.500 -23.811 7.526 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.278 -22.587 8.799 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.725 -24.258 9.065 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.380 -27.402 9.441 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.152 -26.123 9.294 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.225 -26.168 10.713 1.00 16.66 H new ATOM 914 N SER A 62 -9.692 -21.756 11.464 1.00 16.66 N ATOM 915 CA SER A 62 -9.588 -20.300 11.737 1.00 16.66 C ATOM 916 C SER A 62 -8.818 -19.643 10.596 1.00 16.66 C ATOM 917 O SER A 62 -8.213 -20.311 9.782 1.00 16.66 O ATOM 918 CB SER A 62 -8.843 -20.077 13.055 1.00 16.66 C ATOM 919 OG SER A 62 -9.460 -20.840 14.081 1.00 16.66 O ATOM 0 H SER A 62 -8.862 -22.302 11.694 1.00 16.66 H new ATOM 0 HA SER A 62 -10.584 -19.863 11.813 1.00 16.66 H new ATOM 0 HB2 SER A 62 -7.798 -20.368 12.948 1.00 16.66 H new ATOM 0 HB3 SER A 62 -8.854 -19.019 13.317 1.00 16.66 H new ATOM 0 HG SER A 62 -8.983 -20.699 14.925 1.00 16.66 H new ATOM 925 N PHE A 63 -8.831 -18.345 10.524 1.00 16.66 N ATOM 926 CA PHE A 63 -8.091 -17.674 9.427 1.00 16.66 C ATOM 927 C PHE A 63 -6.642 -18.146 9.459 1.00 16.66 C ATOM 928 O PHE A 63 -6.054 -18.464 8.445 1.00 16.66 O ATOM 929 CB PHE A 63 -8.135 -16.160 9.612 1.00 16.66 C ATOM 930 CG PHE A 63 -7.426 -15.518 8.449 1.00 16.66 C ATOM 931 CD1 PHE A 63 -7.861 -15.775 7.145 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.332 -14.676 8.671 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.202 -15.189 6.060 1.00 16.66 C ATOM 934 CE2 PHE A 63 -5.672 -14.089 7.587 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.107 -14.346 6.280 1.00 16.66 C ATOM 0 H PHE A 63 -9.317 -17.725 11.171 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.550 -17.924 8.470 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.167 -15.814 9.664 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.657 -15.879 10.550 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.706 -16.426 6.976 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -5.997 -14.479 9.679 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.538 -15.387 5.053 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -4.827 -13.438 7.757 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.597 -13.893 5.442 1.00 16.66 H new ATOM 945 N GLN A 64 -6.066 -18.197 10.625 1.00 16.66 N ATOM 946 CA GLN A 64 -4.658 -18.652 10.745 1.00 16.66 C ATOM 947 C GLN A 64 -4.537 -20.068 10.175 1.00 16.66 C ATOM 948 O GLN A 64 -3.648 -20.363 9.401 1.00 16.66 O ATOM 949 CB GLN A 64 -4.262 -18.656 12.221 1.00 16.66 C ATOM 950 CG GLN A 64 -2.757 -18.899 12.349 1.00 16.66 C ATOM 951 CD GLN A 64 -2.446 -20.362 12.029 1.00 50.00 C ATOM 952 OE1 GLN A 64 -3.129 -21.255 12.489 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.435 -20.647 11.255 1.00 50.00 N ATOM 0 H GLN A 64 -6.514 -17.941 11.505 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.000 -17.982 10.192 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.527 -17.704 12.681 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -4.812 -19.432 12.753 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.213 -18.244 11.669 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.424 -18.658 13.358 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -0.861 -19.897 10.869 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -1.218 -21.619 11.036 1.00 50.00 H new ATOM 962 N GLU A 65 -5.430 -20.946 10.549 1.00 16.66 N ATOM 963 CA GLU A 65 -5.373 -22.337 10.028 1.00 16.66 C ATOM 964 C GLU A 65 -5.557 -22.312 8.512 1.00 16.66 C ATOM 965 O GLU A 65 -4.828 -22.945 7.774 1.00 16.66 O ATOM 966 CB GLU A 65 -6.497 -23.159 10.660 1.00 16.66 C ATOM 967 CG GLU A 65 -6.134 -23.508 12.105 1.00 16.66 C ATOM 968 CD GLU A 65 -7.249 -24.361 12.720 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.388 -24.151 12.373 1.00 16.66 O ATOM 970 OE2 GLU A 65 -6.944 -25.209 13.528 1.00 16.66 O ATOM 0 H GLU A 65 -6.197 -20.756 11.194 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.410 -22.784 10.275 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.430 -22.596 10.636 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.660 -24.071 10.086 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.189 -24.051 12.133 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -5.996 -22.597 12.687 1.00 16.66 H new ATOM 977 N PHE A 66 -6.527 -21.579 8.044 1.00 16.66 N ATOM 978 CA PHE A 66 -6.766 -21.502 6.576 1.00 16.66 C ATOM 979 C PHE A 66 -5.520 -20.939 5.893 1.00 16.66 C ATOM 980 O PHE A 66 -5.145 -21.360 4.816 1.00 16.66 O ATOM 981 CB PHE A 66 -7.958 -20.584 6.305 1.00 16.66 C ATOM 982 CG PHE A 66 -8.258 -20.569 4.825 1.00 16.66 C ATOM 983 CD1 PHE A 66 -7.642 -19.624 3.996 1.00 16.66 C ATOM 984 CD2 PHE A 66 -9.154 -21.498 4.283 1.00 16.66 C ATOM 985 CE1 PHE A 66 -7.921 -19.609 2.625 1.00 16.66 C ATOM 986 CE2 PHE A 66 -9.433 -21.483 2.912 1.00 16.66 C ATOM 987 CZ PHE A 66 -8.817 -20.538 2.082 1.00 16.66 C ATOM 0 H PHE A 66 -7.167 -21.028 8.616 1.00 16.66 H new ATOM 0 HA PHE A 66 -6.979 -22.497 6.184 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -8.830 -20.930 6.860 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -7.739 -19.574 6.652 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -6.952 -18.907 4.415 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -9.630 -22.226 4.923 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -7.445 -18.881 1.985 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -10.124 -22.200 2.494 1.00 16.66 H new ATOM 0 HZ PHE A 66 -9.033 -20.526 1.024 1.00 16.66 H new ATOM 997 N THR A 67 -4.873 -19.995 6.515 1.00 16.66 N ATOM 998 CA THR A 67 -3.647 -19.407 5.908 1.00 16.66 C ATOM 999 C THR A 67 -2.557 -20.478 5.845 1.00 16.66 C ATOM 1000 O THR A 67 -1.917 -20.668 4.830 1.00 16.66 O ATOM 1001 CB THR A 67 -3.166 -18.233 6.766 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.042 -17.129 6.587 1.00 50.00 O ATOM 1003 CG2 THR A 67 -1.749 -17.836 6.346 1.00 50.00 C ATOM 0 H THR A 67 -5.140 -19.604 7.419 1.00 16.66 H new ATOM 0 HA THR A 67 -3.868 -19.050 4.902 1.00 16.66 H new ATOM 0 HB THR A 67 -3.161 -18.528 7.815 1.00 50.00 H new ATOM 0 HG1 THR A 67 -4.854 -17.266 7.119 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.409 -17.000 6.958 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.078 -18.684 6.484 1.00 50.00 H new ATOM 0 HG23 THR A 67 -1.750 -17.541 5.297 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.344 -21.182 6.923 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.298 -22.242 6.926 1.00 25.00 C ATOM 1013 C ASP A 68 -1.624 -23.279 5.850 1.00 25.00 C ATOM 1014 O ASP A 68 -0.754 -23.759 5.151 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.263 -22.921 8.296 1.00 25.00 C ATOM 1016 CG ASP A 68 -0.021 -23.808 8.395 1.00 25.00 C ATOM 1017 OD1 ASP A 68 0.725 -23.859 7.431 1.00 50.00 O ATOM 1018 OD2 ASP A 68 0.164 -24.422 9.433 1.00 50.00 O ATOM 0 H ASP A 68 -2.850 -21.068 7.802 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.326 -21.795 6.719 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -1.250 -22.170 9.086 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -2.163 -23.519 8.440 1.00 25.00 H new ATOM 1023 N PHE A 69 -2.873 -23.623 5.710 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.262 -24.622 4.682 1.00 25.00 C ATOM 1025 C PHE A 69 -3.236 -23.946 3.305 1.00 25.00 C ATOM 1026 O PHE A 69 -2.856 -24.542 2.317 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.669 -25.153 5.021 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.462 -25.406 3.763 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -6.004 -24.327 3.062 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.646 -26.710 3.298 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.735 -24.550 1.891 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.376 -26.937 2.127 1.00 50.00 C ATOM 1033 CZ PHE A 69 -6.921 -25.856 1.422 1.00 50.00 C ATOM 0 H PHE A 69 -3.643 -23.253 6.267 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.569 -25.463 4.666 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.586 -26.075 5.596 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.193 -24.432 5.648 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -5.859 -23.320 3.424 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.225 -27.542 3.842 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.156 -23.716 1.349 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.520 -27.945 1.766 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.484 -26.030 0.517 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.633 -22.707 3.239 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.628 -21.991 1.932 1.00 16.66 C ATOM 1045 C GLY A 70 -2.206 -21.972 1.370 1.00 16.66 C ATOM 1046 O GLY A 70 -2.000 -21.996 0.172 1.00 16.66 O ATOM 0 H GLY A 70 -3.961 -22.158 4.034 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.301 -22.485 1.231 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -3.994 -20.972 2.061 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.221 -21.931 2.225 1.00 25.00 N ATOM 1051 CA ARG A 71 0.188 -21.913 1.741 1.00 25.00 C ATOM 1052 C ARG A 71 0.545 -23.284 1.166 1.00 25.00 C ATOM 1053 O ARG A 71 1.343 -23.399 0.257 1.00 25.00 O ATOM 1054 CB ARG A 71 1.123 -21.591 2.909 1.00 50.00 C ATOM 1055 CG ARG A 71 0.840 -20.175 3.413 1.00 50.00 C ATOM 1056 CD ARG A 71 1.819 -19.828 4.537 1.00 50.00 C ATOM 1057 NE ARG A 71 1.650 -20.794 5.658 1.00 50.00 N ATOM 1058 CZ ARG A 71 2.051 -20.477 6.859 1.00 50.00 C ATOM 1059 NH1 ARG A 71 3.022 -21.144 7.421 1.00 50.00 N ATOM 1060 NH2 ARG A 71 1.480 -19.493 7.499 1.00 50.00 N ATOM 0 H ARG A 71 -1.332 -21.909 3.239 1.00 25.00 H new ATOM 0 HA ARG A 71 0.298 -21.154 0.967 1.00 25.00 H new ATOM 0 HB2 ARG A 71 0.978 -22.311 3.714 1.00 50.00 H new ATOM 0 HB3 ARG A 71 2.162 -21.674 2.591 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.939 -19.460 2.596 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.186 -20.105 3.775 1.00 50.00 H new ATOM 0 HD2 ARG A 71 2.843 -19.862 4.165 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.641 -18.812 4.888 1.00 50.00 H new ATOM 0 HE ARG A 71 1.221 -21.703 5.487 1.00 50.00 H new ATOM 0 HH11 ARG A 71 3.468 -21.913 6.922 1.00 50.00 H new ATOM 0 HH12 ARG A 71 3.335 -20.896 8.360 1.00 50.00 H new ATOM 0 HH21 ARG A 71 0.721 -18.972 7.061 1.00 50.00 H new ATOM 0 HH22 ARG A 71 1.793 -19.245 8.438 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.040 -24.324 1.691 1.00 25.00 N ATOM 1075 CA ALA A 72 0.265 -25.690 1.178 1.00 25.00 C ATOM 1076 C ALA A 72 -0.356 -25.865 -0.210 1.00 25.00 C ATOM 1077 O ALA A 72 0.043 -26.722 -0.974 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.319 -26.734 2.131 1.00 50.00 C ATOM 0 H ALA A 72 -0.717 -24.288 2.453 1.00 25.00 H new ATOM 0 HA ALA A 72 1.345 -25.820 1.112 1.00 25.00 H new ATOM 0 HB1 ALA A 72 -0.096 -27.733 1.757 1.00 50.00 H new ATOM 0 HB2 ALA A 72 0.122 -26.611 3.120 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.399 -26.603 2.196 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.329 -25.062 -0.542 1.00 25.00 N ATOM 1085 CA ASN A 73 -1.972 -25.186 -1.879 1.00 25.00 C ATOM 1086 C ASN A 73 -2.465 -23.813 -2.337 1.00 25.00 C ATOM 1087 O ASN A 73 -3.623 -23.634 -2.660 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.157 -26.150 -1.787 1.00 25.00 C ATOM 1089 CG ASN A 73 -2.844 -27.249 -0.771 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -1.994 -28.085 -1.005 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -3.500 -27.284 0.356 1.00 50.00 N ATOM 0 H ASN A 73 -1.706 -24.326 0.055 1.00 25.00 H new ATOM 0 HA ASN A 73 -1.247 -25.569 -2.597 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -4.056 -25.610 -1.489 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -3.358 -26.590 -2.764 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -3.299 -28.013 1.041 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -4.214 -26.582 0.553 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.596 -22.840 -2.372 1.00 25.00 N ATOM 1099 CA ARG A 74 -2.021 -21.484 -2.812 1.00 25.00 C ATOM 1100 C ARG A 74 -2.743 -21.610 -4.149 1.00 25.00 C ATOM 1101 O ARG A 74 -3.765 -20.994 -4.382 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.793 -20.586 -2.974 1.00 25.00 C ATOM 1103 CG ARG A 74 -0.114 -20.402 -1.615 1.00 25.00 C ATOM 1104 CD ARG A 74 1.176 -19.599 -1.793 1.00 25.00 C ATOM 1105 NE ARG A 74 1.887 -19.508 -0.487 1.00 25.00 N ATOM 1106 CZ ARG A 74 3.192 -19.534 -0.451 1.00 50.00 C ATOM 1107 NH1 ARG A 74 3.881 -19.123 -1.481 1.00 50.00 N ATOM 1108 NH2 ARG A 74 3.807 -19.970 0.614 1.00 50.00 N ATOM 0 H ARG A 74 -0.613 -22.926 -2.115 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.686 -21.044 -2.069 1.00 25.00 H new ATOM 0 HB2 ARG A 74 -0.095 -21.030 -3.684 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -1.088 -19.618 -3.380 1.00 25.00 H new ATOM 0 HG2 ARG A 74 -0.785 -19.885 -0.929 1.00 25.00 H new ATOM 0 HG3 ARG A 74 0.108 -21.373 -1.173 1.00 25.00 H new ATOM 0 HD2 ARG A 74 1.815 -20.077 -2.535 1.00 25.00 H new ATOM 0 HD3 ARG A 74 0.947 -18.600 -2.165 1.00 25.00 H new ATOM 0 HE ARG A 74 1.354 -19.425 0.379 1.00 25.00 H new ATOM 0 HH11 ARG A 74 3.400 -18.782 -2.313 1.00 50.00 H new ATOM 0 HH12 ARG A 74 4.900 -19.143 -1.454 1.00 50.00 H new ATOM 0 HH21 ARG A 74 3.268 -20.291 1.419 1.00 50.00 H new ATOM 0 HH22 ARG A 74 4.826 -19.990 0.642 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.216 -22.413 -5.027 1.00 25.00 N ATOM 1123 CA GLY A 75 -2.858 -22.600 -6.354 1.00 25.00 C ATOM 1124 C GLY A 75 -4.305 -23.057 -6.162 1.00 25.00 C ATOM 1125 O GLY A 75 -5.132 -22.922 -7.042 1.00 25.00 O ATOM 0 H GLY A 75 -1.362 -22.951 -4.881 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -2.832 -21.667 -6.917 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.306 -23.339 -6.936 1.00 25.00 H new ATOM 1129 N LEU A 76 -4.620 -23.596 -5.015 1.00 25.00 N ATOM 1130 CA LEU A 76 -6.015 -24.058 -4.769 1.00 25.00 C ATOM 1131 C LEU A 76 -6.892 -22.852 -4.439 1.00 25.00 C ATOM 1132 O LEU A 76 -8.001 -22.725 -4.918 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.035 -25.038 -3.594 1.00 25.00 C ATOM 1134 CG LEU A 76 -5.419 -26.370 -4.025 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -5.546 -27.382 -2.884 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -6.154 -26.896 -5.259 1.00 50.00 C ATOM 0 H LEU A 76 -3.972 -23.736 -4.239 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.395 -24.558 -5.660 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.479 -24.624 -2.753 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.059 -25.193 -3.254 1.00 25.00 H new ATOM 0 HG LEU A 76 -4.366 -26.224 -4.265 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -5.107 -28.332 -3.190 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -5.022 -27.007 -2.005 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -6.599 -27.529 -2.644 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -5.715 -27.845 -5.567 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -7.207 -27.043 -5.020 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -6.064 -26.175 -6.071 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.402 -21.970 -3.617 1.00 25.00 N ATOM 1149 CA LEU A 77 -7.203 -20.771 -3.243 1.00 25.00 C ATOM 1150 C LEU A 77 -7.500 -19.940 -4.491 1.00 25.00 C ATOM 1151 O LEU A 77 -8.559 -19.359 -4.622 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.418 -19.925 -2.239 1.00 25.00 C ATOM 1153 CG LEU A 77 -6.090 -20.769 -1.005 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -5.604 -19.855 0.122 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -7.344 -21.518 -0.549 1.00 50.00 C ATOM 0 H LEU A 77 -5.479 -22.026 -3.186 1.00 25.00 H new ATOM 0 HA LEU A 77 -8.142 -21.091 -2.792 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.499 -19.558 -2.696 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -7.001 -19.051 -1.950 1.00 25.00 H new ATOM 0 HG LEU A 77 -5.309 -21.488 -1.254 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -5.370 -20.455 1.002 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -4.710 -19.322 -0.202 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -6.385 -19.136 0.370 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -7.110 -22.119 0.330 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -8.126 -20.801 -0.300 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -7.691 -22.169 -1.351 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.578 -19.877 -5.409 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.815 -19.082 -6.646 1.00 25.00 C ATOM 1169 C LYS A 78 -8.027 -19.646 -7.387 1.00 25.00 C ATOM 1170 O LYS A 78 -8.709 -18.944 -8.107 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.582 -19.161 -7.549 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.369 -18.601 -6.804 1.00 25.00 C ATOM 1173 CD LYS A 78 -3.260 -18.276 -7.808 1.00 50.00 C ATOM 1174 CE LYS A 78 -2.860 -19.550 -8.554 1.00 50.00 C ATOM 1175 NZ LYS A 78 -1.529 -20.013 -8.069 1.00 50.00 N ATOM 0 H LYS A 78 -5.671 -20.341 -5.357 1.00 25.00 H new ATOM 0 HA LYS A 78 -7.002 -18.042 -6.380 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -5.398 -20.195 -7.841 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.752 -18.596 -8.466 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.650 -17.704 -6.253 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -4.011 -19.326 -6.073 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -3.604 -17.521 -8.515 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.397 -17.858 -7.290 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -3.607 -20.327 -8.395 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -2.822 -19.359 -9.627 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -1.340 -20.969 -8.433 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -0.791 -19.362 -8.406 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -1.526 -20.032 -7.029 1.00 50.00 H new ATOM 1189 N ASP A 79 -8.304 -20.909 -7.215 1.00 25.00 N ATOM 1190 CA ASP A 79 -9.475 -21.513 -7.908 1.00 25.00 C ATOM 1191 C ASP A 79 -10.757 -21.086 -7.195 1.00 25.00 C ATOM 1192 O ASP A 79 -11.770 -20.828 -7.815 1.00 25.00 O ATOM 1193 CB ASP A 79 -9.357 -23.038 -7.878 1.00 25.00 C ATOM 1194 CG ASP A 79 -10.515 -23.654 -8.665 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -11.126 -22.938 -9.441 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -10.772 -24.832 -8.479 1.00 50.00 O ATOM 0 H ASP A 79 -7.771 -21.548 -6.625 1.00 25.00 H new ATOM 0 HA ASP A 79 -9.502 -21.174 -8.944 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -8.405 -23.348 -8.308 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -9.373 -23.395 -6.848 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.719 -21.009 -5.895 1.00 25.00 N ATOM 1202 CA VAL A 80 -11.931 -20.599 -5.134 1.00 25.00 C ATOM 1203 C VAL A 80 -12.094 -19.079 -5.210 1.00 25.00 C ATOM 1204 O VAL A 80 -13.192 -18.561 -5.187 1.00 25.00 O ATOM 1205 CB VAL A 80 -11.779 -21.021 -3.672 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -13.114 -20.837 -2.947 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -11.360 -22.491 -3.606 1.00 50.00 C ATOM 0 H VAL A 80 -9.898 -21.213 -5.325 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.810 -21.080 -5.564 1.00 25.00 H new ATOM 0 HB VAL A 80 -11.018 -20.405 -3.193 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -13.007 -21.138 -1.905 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -13.412 -19.790 -2.994 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -13.876 -21.453 -3.425 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -11.252 -22.792 -2.564 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -12.120 -23.108 -4.085 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -10.409 -22.622 -4.122 1.00 50.00 H new ATOM 1217 N ALA A 81 -11.008 -18.362 -5.297 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.101 -16.877 -5.371 1.00 25.00 C ATOM 1219 C ALA A 81 -11.846 -16.472 -6.644 1.00 25.00 C ATOM 1220 O ALA A 81 -12.280 -15.347 -6.789 1.00 25.00 O ATOM 1221 CB ALA A 81 -9.694 -16.278 -5.392 1.00 50.00 C ATOM 0 H ALA A 81 -10.061 -18.740 -5.320 1.00 25.00 H new ATOM 0 HA ALA A 81 -11.642 -16.505 -4.501 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -9.762 -15.191 -5.446 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -9.163 -16.564 -4.484 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.153 -16.651 -6.261 1.00 50.00 H new ATOM 1227 N LYS A 82 -12.002 -17.381 -7.566 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.725 -17.046 -8.824 1.00 25.00 C ATOM 1229 C LYS A 82 -14.182 -17.484 -8.691 1.00 25.00 C ATOM 1230 O LYS A 82 -15.080 -16.875 -9.239 1.00 25.00 O ATOM 1231 CB LYS A 82 -12.074 -17.779 -10.000 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.639 -17.280 -10.178 1.00 25.00 C ATOM 1233 CD LYS A 82 -10.152 -17.617 -11.589 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.673 -17.250 -11.720 1.00 50.00 C ATOM 1235 NZ LYS A 82 -7.868 -18.489 -11.909 1.00 50.00 N ATOM 0 H LYS A 82 -11.661 -18.340 -7.503 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.678 -15.972 -9.002 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -12.077 -18.854 -9.819 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.646 -17.607 -10.912 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.594 -16.203 -10.014 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -9.987 -17.743 -9.437 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -10.293 -18.679 -11.790 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.740 -17.072 -12.328 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -8.528 -16.577 -12.565 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -8.339 -16.719 -10.829 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -6.862 -18.239 -11.998 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -7.998 -19.116 -11.089 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -8.181 -18.978 -12.772 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.421 -18.537 -7.960 1.00 25.00 N ATOM 1250 CA ILE A 83 -15.817 -19.021 -7.780 1.00 25.00 C ATOM 1251 C ILE A 83 -16.660 -17.911 -7.154 1.00 25.00 C ATOM 1252 O ILE A 83 -17.808 -17.715 -7.503 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.815 -20.240 -6.858 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -14.955 -21.345 -7.476 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -17.249 -20.742 -6.679 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -15.052 -22.609 -6.619 1.00 50.00 C ATOM 0 H ILE A 83 -13.707 -19.084 -7.479 1.00 25.00 H new ATOM 0 HA ILE A 83 -16.237 -19.297 -8.747 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.404 -19.964 -5.887 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -15.290 -21.555 -8.492 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -13.917 -21.018 -7.544 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -17.251 -21.612 -6.022 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.858 -19.953 -6.238 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -17.661 -21.020 -7.649 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -14.439 -23.395 -7.060 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -14.696 -22.394 -5.611 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -16.090 -22.940 -6.574 1.00 50.00 H new ATOM 1268 N PHE A 84 -16.097 -17.183 -6.232 1.00 25.00 N ATOM 1269 CA PHE A 84 -16.860 -16.083 -5.579 1.00 25.00 C ATOM 1270 C PHE A 84 -16.686 -14.794 -6.384 1.00 25.00 C ATOM 1271 O PHE A 84 -15.572 -14.300 -6.442 1.00 25.00 O ATOM 1272 CB PHE A 84 -16.336 -15.872 -4.158 1.00 50.00 C ATOM 1273 CG PHE A 84 -16.629 -17.098 -3.327 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -15.749 -18.187 -3.351 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -17.782 -17.146 -2.534 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -16.023 -19.324 -2.581 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -18.055 -18.283 -1.765 1.00 50.00 C ATOM 1278 CZ PHE A 84 -17.175 -19.372 -1.788 1.00 50.00 C ATOM 1279 OXT PHE A 84 -17.670 -14.321 -6.929 1.00 99.99 O ATOM 0 H PHE A 84 -15.139 -17.302 -5.901 1.00 25.00 H new ATOM 0 HA PHE A 84 -17.917 -16.347 -5.540 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.263 -15.682 -4.179 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -16.806 -14.996 -3.712 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -14.860 -18.150 -3.963 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -18.460 -16.306 -2.516 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -15.345 -20.164 -2.599 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -18.945 -18.321 -1.154 1.00 50.00 H new ATOM 0 HZ PHE A 84 -17.385 -20.249 -1.194 1.00 50.00 H new