USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 444 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 198 LYS NZ :NH3+ -115:sc= 0.446 (180deg=0) USER MOD Single : A 214 SER OG : rot 180:sc= 0 USER MOD Single : A 215 LYS NZ :NH3+ -166:sc= 1.24 (180deg=1.12) USER MOD Single : A 221 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0026) USER MOD Single : A 224 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 232 LYS NZ :NH3+ -152:sc= 1.26 (180deg=1.13) USER MOD Single : A 240 MET CE :methyl -175:sc= -0.694 (180deg=-0.79) USER MOD Single : A 250 GLN : amide:sc= -1.02 K(o=-1,f=0) USER MOD Single : A 251 ASN : amide:sc= -0.56 K(o=-0.56,f=-1.2) USER MOD Single : A 254 TYR OH : rot 180:sc= 0 USER MOD Single : A 255 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00104) USER MOD Single : A 259 LYS NZ :NH3+ 166:sc= -0.0245 (180deg=-0.149) USER MOD ----------------------------------------------------------------- ATOM 123 N ASP A 195 -35.400 16.323 5.135 1.00 0.00 N ATOM 124 CA ASP A 195 -36.389 15.413 5.731 1.00 0.00 C ATOM 125 C ASP A 195 -36.264 13.967 5.224 1.00 0.00 C ATOM 126 O ASP A 195 -37.225 13.203 5.180 1.00 0.00 O ATOM 127 CB ASP A 195 -37.796 15.991 5.514 1.00 0.00 C ATOM 128 CG ASP A 195 -38.782 15.428 6.532 1.00 0.00 C ATOM 129 OD1 ASP A 195 -38.664 15.813 7.720 1.00 0.00 O ATOM 130 OD2 ASP A 195 -39.671 14.623 6.174 1.00 0.00 O ATOM 0 HA ASP A 195 -36.192 15.346 6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 195 -37.763 17.077 5.597 1.00 0.00 H new ATOM 0 HB3 ASP A 195 -38.137 15.758 4.505 1.00 0.00 H new ATOM 135 N ALA A 196 -35.060 13.599 4.780 1.00 0.00 N ATOM 136 CA ALA A 196 -34.718 12.434 3.970 1.00 0.00 C ATOM 137 C ALA A 196 -35.536 12.264 2.683 1.00 0.00 C ATOM 138 O ALA A 196 -35.369 11.268 1.985 1.00 0.00 O ATOM 139 CB ALA A 196 -34.683 11.158 4.823 1.00 0.00 C ATOM 0 H ALA A 196 -34.233 14.156 4.997 1.00 0.00 H new ATOM 0 HA ALA A 196 -33.711 12.628 3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 196 -34.426 10.306 4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 196 -33.936 11.267 5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 196 -35.662 10.994 5.273 1.00 0.00 H new ATOM 145 N ALA A 197 -36.351 13.231 2.293 1.00 0.00 N ATOM 146 CA ALA A 197 -37.181 13.207 1.103 1.00 0.00 C ATOM 147 C ALA A 197 -37.098 14.580 0.442 1.00 0.00 C ATOM 148 O ALA A 197 -38.042 15.358 0.505 1.00 0.00 O ATOM 149 CB ALA A 197 -38.614 12.802 1.474 1.00 0.00 C ATOM 0 H ALA A 197 -36.455 14.095 2.825 1.00 0.00 H new ATOM 0 HA ALA A 197 -36.831 12.464 0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -39.232 12.786 0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -38.606 11.811 1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -39.023 13.521 2.183 1.00 0.00 H new ATOM 155 N LYS A 198 -35.986 14.852 -0.256 1.00 0.00 N ATOM 156 CA LYS A 198 -35.776 16.099 -1.001 1.00 0.00 C ATOM 157 C LYS A 198 -35.805 15.858 -2.512 1.00 0.00 C ATOM 158 O LYS A 198 -34.750 15.939 -3.150 1.00 0.00 O ATOM 159 CB LYS A 198 -34.524 16.858 -0.487 1.00 0.00 C ATOM 160 CG LYS A 198 -33.182 16.100 -0.552 1.00 0.00 C ATOM 161 CD LYS A 198 -32.057 16.889 0.141 1.00 0.00 C ATOM 162 CE LYS A 198 -30.780 16.064 0.351 1.00 0.00 C ATOM 163 NZ LYS A 198 -30.838 15.138 1.506 1.00 0.00 N ATOM 0 H LYS A 198 -35.200 14.205 -0.319 1.00 0.00 H new ATOM 0 HA LYS A 198 -36.612 16.771 -0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 198 -34.424 17.778 -1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 198 -34.702 17.147 0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 198 -33.290 15.125 -0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 198 -32.914 15.920 -1.593 1.00 0.00 H new ATOM 0 HD2 LYS A 198 -31.819 17.769 -0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 198 -32.414 17.246 1.107 1.00 0.00 H new ATOM 0 HE2 LYS A 198 -30.580 15.488 -0.553 1.00 0.00 H new ATOM 0 HE3 LYS A 198 -29.940 16.745 0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 198 -30.141 15.430 2.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 198 -31.791 15.161 1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 198 -30.622 14.172 1.187 1.00 0.00 H new ATOM 177 N PRO A 199 -36.985 15.606 -3.121 1.00 0.00 N ATOM 178 CA PRO A 199 -37.145 15.579 -4.566 1.00 0.00 C ATOM 179 C PRO A 199 -36.914 16.963 -5.179 1.00 0.00 C ATOM 180 O PRO A 199 -37.850 17.721 -5.454 1.00 0.00 O ATOM 181 CB PRO A 199 -38.511 14.956 -4.856 1.00 0.00 C ATOM 182 CG PRO A 199 -39.301 15.096 -3.562 1.00 0.00 C ATOM 183 CD PRO A 199 -38.242 15.246 -2.476 1.00 0.00 C ATOM 0 HA PRO A 199 -36.388 14.962 -5.050 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -39.010 15.468 -5.679 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -38.412 13.910 -5.145 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -39.962 15.962 -3.593 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -39.929 14.223 -3.385 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -38.536 16.013 -1.760 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -38.132 14.315 -1.919 1.00 0.00 H new ATOM 191 N GLU A 200 -35.631 17.270 -5.329 1.00 0.00 N ATOM 192 CA GLU A 200 -35.009 18.299 -6.137 1.00 0.00 C ATOM 193 C GLU A 200 -33.583 17.828 -6.418 1.00 0.00 C ATOM 194 O GLU A 200 -33.159 17.824 -7.573 1.00 0.00 O ATOM 195 CB GLU A 200 -35.006 19.653 -5.399 1.00 0.00 C ATOM 196 CG GLU A 200 -34.557 20.833 -6.275 1.00 0.00 C ATOM 197 CD GLU A 200 -35.512 21.103 -7.443 1.00 0.00 C ATOM 198 OE1 GLU A 200 -36.580 20.464 -7.536 1.00 0.00 O ATOM 199 OE2 GLU A 200 -35.197 21.922 -8.335 1.00 0.00 O ATOM 0 H GLU A 200 -34.923 16.737 -4.825 1.00 0.00 H new ATOM 0 HA GLU A 200 -35.560 18.452 -7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -36.009 19.853 -5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -34.347 19.583 -4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -34.482 21.729 -5.659 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -33.560 20.630 -6.666 1.00 0.00 H new ATOM 206 N ASP A 201 -32.884 17.368 -5.368 1.00 0.00 N ATOM 207 CA ASP A 201 -31.427 17.192 -5.385 1.00 0.00 C ATOM 208 C ASP A 201 -30.972 15.866 -4.760 1.00 0.00 C ATOM 209 O ASP A 201 -29.789 15.539 -4.823 1.00 0.00 O ATOM 210 CB ASP A 201 -30.768 18.375 -4.644 1.00 0.00 C ATOM 211 CG ASP A 201 -29.575 18.970 -5.401 1.00 0.00 C ATOM 212 OD1 ASP A 201 -28.649 18.236 -5.810 1.00 0.00 O ATOM 213 OD2 ASP A 201 -29.560 20.209 -5.590 1.00 0.00 O ATOM 0 H ASP A 201 -33.317 17.108 -4.482 1.00 0.00 H new ATOM 0 HA ASP A 201 -31.114 17.166 -6.429 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -31.513 19.154 -4.482 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -30.437 18.041 -3.661 1.00 0.00 H new ATOM 218 N TRP A 202 -31.868 15.092 -4.125 1.00 0.00 N ATOM 219 CA TRP A 202 -31.478 13.795 -3.546 1.00 0.00 C ATOM 220 C TRP A 202 -31.061 12.781 -4.608 1.00 0.00 C ATOM 221 O TRP A 202 -30.269 11.887 -4.325 1.00 0.00 O ATOM 222 CB TRP A 202 -32.587 13.163 -2.686 1.00 0.00 C ATOM 223 CG TRP A 202 -33.854 12.727 -3.362 1.00 0.00 C ATOM 224 CD1 TRP A 202 -34.401 13.260 -4.477 1.00 0.00 C ATOM 225 CD2 TRP A 202 -34.760 11.652 -2.968 1.00 0.00 C ATOM 226 NE1 TRP A 202 -35.544 12.581 -4.811 1.00 0.00 N ATOM 227 CE2 TRP A 202 -35.830 11.590 -3.907 1.00 0.00 C ATOM 228 CE3 TRP A 202 -34.786 10.713 -1.918 1.00 0.00 C ATOM 229 CZ2 TRP A 202 -36.870 10.660 -3.809 1.00 0.00 C ATOM 230 CZ3 TRP A 202 -35.815 9.758 -1.824 1.00 0.00 C ATOM 231 CH2 TRP A 202 -36.855 9.725 -2.765 1.00 0.00 C ATOM 0 H TRP A 202 -32.851 15.336 -4.001 1.00 0.00 H new ATOM 0 HA TRP A 202 -30.624 14.028 -2.910 1.00 0.00 H new ATOM 0 HB2 TRP A 202 -32.163 12.294 -2.184 1.00 0.00 H new ATOM 0 HB3 TRP A 202 -32.855 13.880 -1.910 1.00 0.00 H new ATOM 0 HD1 TRP A 202 -33.997 14.098 -5.025 1.00 0.00 H new ATOM 0 HE1 TRP A 202 -36.113 12.788 -5.632 1.00 0.00 H new ATOM 0 HE3 TRP A 202 -34.004 10.726 -1.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 202 -37.675 10.662 -4.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 202 -35.804 9.041 -1.017 1.00 0.00 H new ATOM 0 HH2 TRP A 202 -37.638 8.985 -2.686 1.00 0.00 H new ATOM 242 N ASP A 203 -31.645 12.863 -5.802 1.00 0.00 N ATOM 243 CA ASP A 203 -31.477 11.917 -6.904 1.00 0.00 C ATOM 244 C ASP A 203 -31.679 10.464 -6.462 1.00 0.00 C ATOM 245 O ASP A 203 -31.073 9.537 -6.997 1.00 0.00 O ATOM 246 CB ASP A 203 -30.141 12.190 -7.608 1.00 0.00 C ATOM 247 CG ASP A 203 -30.055 11.579 -9.006 1.00 0.00 C ATOM 248 OD1 ASP A 203 -31.089 11.302 -9.659 1.00 0.00 O ATOM 249 OD2 ASP A 203 -28.925 11.502 -9.537 1.00 0.00 O ATOM 0 H ASP A 203 -32.278 13.627 -6.039 1.00 0.00 H new ATOM 0 HA ASP A 203 -32.265 12.073 -7.641 1.00 0.00 H new ATOM 0 HB2 ASP A 203 -29.991 13.267 -7.681 1.00 0.00 H new ATOM 0 HB3 ASP A 203 -29.329 11.795 -6.997 1.00 0.00 H new ATOM 254 N GLU A 204 -32.500 10.275 -5.416 1.00 0.00 N ATOM 255 CA GLU A 204 -32.810 9.015 -4.748 1.00 0.00 C ATOM 256 C GLU A 204 -31.575 8.322 -4.164 1.00 0.00 C ATOM 257 O GLU A 204 -31.657 7.165 -3.735 1.00 0.00 O ATOM 258 CB GLU A 204 -33.579 8.114 -5.714 1.00 0.00 C ATOM 259 CG GLU A 204 -35.014 8.596 -5.888 1.00 0.00 C ATOM 260 CD GLU A 204 -35.693 7.768 -6.971 1.00 0.00 C ATOM 261 OE1 GLU A 204 -35.470 8.075 -8.162 1.00 0.00 O ATOM 262 OE2 GLU A 204 -36.359 6.748 -6.663 1.00 0.00 O ATOM 0 H GLU A 204 -32.996 11.058 -4.990 1.00 0.00 H new ATOM 0 HA GLU A 204 -33.438 9.233 -3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -33.077 8.100 -6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -33.579 7.090 -5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -35.558 8.503 -4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -35.025 9.651 -6.160 1.00 0.00 H new ATOM 269 N ARG A 205 -30.435 9.012 -4.129 1.00 0.00 N ATOM 270 CA ARG A 205 -29.152 8.474 -3.695 1.00 0.00 C ATOM 271 C ARG A 205 -28.416 9.363 -2.706 1.00 0.00 C ATOM 272 O ARG A 205 -27.302 9.045 -2.306 1.00 0.00 O ATOM 273 CB ARG A 205 -28.299 8.124 -4.918 1.00 0.00 C ATOM 274 CG ARG A 205 -28.008 9.314 -5.842 1.00 0.00 C ATOM 275 CD ARG A 205 -26.789 10.147 -5.435 1.00 0.00 C ATOM 276 NE ARG A 205 -26.438 11.107 -6.489 1.00 0.00 N ATOM 277 CZ ARG A 205 -25.895 10.801 -7.673 1.00 0.00 C ATOM 278 NH1 ARG A 205 -25.531 9.556 -7.962 1.00 0.00 N ATOM 279 NH2 ARG A 205 -25.730 11.744 -8.587 1.00 0.00 N ATOM 0 H ARG A 205 -30.381 9.991 -4.411 1.00 0.00 H new ATOM 0 HA ARG A 205 -29.354 7.561 -3.134 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -27.353 7.702 -4.579 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -28.807 7.348 -5.491 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -27.857 8.943 -6.856 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -28.884 9.962 -5.867 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -27.000 10.679 -4.508 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -25.942 9.489 -5.239 1.00 0.00 H new ATOM 0 HE ARG A 205 -26.624 12.092 -6.303 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -25.664 8.813 -7.275 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -25.119 9.343 -8.870 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -26.017 12.703 -8.388 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -25.316 11.512 -9.490 1.00 0.00 H new ATOM 293 N ALA A 206 -29.045 10.451 -2.294 1.00 0.00 N ATOM 294 CA ALA A 206 -28.496 11.420 -1.349 1.00 0.00 C ATOM 295 C ALA A 206 -29.545 11.758 -0.291 1.00 0.00 C ATOM 296 O ALA A 206 -30.124 12.847 -0.272 1.00 0.00 O ATOM 297 CB ALA A 206 -27.943 12.651 -2.080 1.00 0.00 C ATOM 0 H ALA A 206 -29.982 10.696 -2.616 1.00 0.00 H new ATOM 0 HA ALA A 206 -27.645 10.984 -0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 206 -27.541 13.356 -1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 206 -27.151 12.343 -2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 206 -28.744 13.129 -2.644 1.00 0.00 H new ATOM 408 N SER A 214 -24.247 4.511 8.323 1.00 0.00 N ATOM 409 CA SER A 214 -23.455 5.427 7.537 1.00 0.00 C ATOM 410 C SER A 214 -22.028 5.273 8.038 1.00 0.00 C ATOM 411 O SER A 214 -21.582 6.023 8.907 1.00 0.00 O ATOM 412 CB SER A 214 -24.000 6.843 7.721 1.00 0.00 C ATOM 413 OG SER A 214 -25.124 7.022 6.876 1.00 0.00 O ATOM 0 HA SER A 214 -23.491 5.222 6.467 1.00 0.00 H new ATOM 0 HB2 SER A 214 -24.282 7.005 8.761 1.00 0.00 H new ATOM 0 HB3 SER A 214 -23.230 7.576 7.482 1.00 0.00 H new ATOM 0 HG SER A 214 -25.479 7.928 6.991 1.00 0.00 H new ATOM 419 N LYS A 215 -21.348 4.277 7.466 1.00 0.00 N ATOM 420 CA LYS A 215 -19.941 3.952 7.663 1.00 0.00 C ATOM 421 C LYS A 215 -19.634 3.529 9.095 1.00 0.00 C ATOM 422 O LYS A 215 -19.385 4.377 9.956 1.00 0.00 O ATOM 423 CB LYS A 215 -19.058 5.086 7.155 1.00 0.00 C ATOM 424 CG LYS A 215 -19.184 5.122 5.635 1.00 0.00 C ATOM 425 CD LYS A 215 -18.376 6.252 5.006 1.00 0.00 C ATOM 426 CE LYS A 215 -17.387 5.693 3.987 1.00 0.00 C ATOM 427 NZ LYS A 215 -16.117 6.413 4.076 1.00 0.00 N ATOM 0 H LYS A 215 -21.798 3.637 6.811 1.00 0.00 H new ATOM 0 HA LYS A 215 -19.705 3.073 7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -19.369 6.037 7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -18.021 4.926 7.450 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -18.850 4.169 5.224 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -20.234 5.236 5.364 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -19.047 6.961 4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -17.840 6.800 5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -17.226 4.631 4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -17.797 5.785 2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -15.537 6.199 3.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -16.300 7.436 4.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -15.609 6.117 4.934 1.00 0.00 H new ATOM 441 N PRO A 216 -19.655 2.214 9.366 1.00 0.00 N ATOM 442 CA PRO A 216 -19.114 1.686 10.600 1.00 0.00 C ATOM 443 C PRO A 216 -17.587 1.833 10.574 1.00 0.00 C ATOM 444 O PRO A 216 -16.978 2.036 9.518 1.00 0.00 O ATOM 445 CB PRO A 216 -19.582 0.229 10.647 1.00 0.00 C ATOM 446 CG PRO A 216 -19.766 -0.179 9.183 1.00 0.00 C ATOM 447 CD PRO A 216 -19.915 1.139 8.420 1.00 0.00 C ATOM 0 HA PRO A 216 -19.451 2.210 11.495 1.00 0.00 H new ATOM 0 HB2 PRO A 216 -18.847 -0.405 11.143 1.00 0.00 H new ATOM 0 HB3 PRO A 216 -20.514 0.132 11.203 1.00 0.00 H new ATOM 0 HG2 PRO A 216 -18.910 -0.750 8.822 1.00 0.00 H new ATOM 0 HG3 PRO A 216 -20.646 -0.810 9.057 1.00 0.00 H new ATOM 0 HD2 PRO A 216 -19.215 1.182 7.586 1.00 0.00 H new ATOM 0 HD3 PRO A 216 -20.917 1.230 8.000 1.00 0.00 H new ATOM 455 N GLU A 217 -16.958 1.640 11.734 1.00 0.00 N ATOM 456 CA GLU A 217 -15.541 1.891 12.018 1.00 0.00 C ATOM 457 C GLU A 217 -14.569 1.004 11.231 1.00 0.00 C ATOM 458 O GLU A 217 -13.348 1.112 11.383 1.00 0.00 O ATOM 459 CB GLU A 217 -15.319 1.741 13.533 1.00 0.00 C ATOM 460 CG GLU A 217 -15.567 0.308 14.042 1.00 0.00 C ATOM 461 CD GLU A 217 -15.635 0.233 15.569 1.00 0.00 C ATOM 462 OE1 GLU A 217 -16.610 0.746 16.167 1.00 0.00 O ATOM 463 OE2 GLU A 217 -14.769 -0.416 16.197 1.00 0.00 O ATOM 0 H GLU A 217 -17.453 1.283 12.551 1.00 0.00 H new ATOM 0 HA GLU A 217 -15.316 2.904 11.686 1.00 0.00 H new ATOM 0 HB2 GLU A 217 -14.298 2.034 13.775 1.00 0.00 H new ATOM 0 HB3 GLU A 217 -15.981 2.427 14.061 1.00 0.00 H new ATOM 0 HG2 GLU A 217 -16.500 -0.068 13.621 1.00 0.00 H new ATOM 0 HG3 GLU A 217 -14.770 -0.344 13.684 1.00 0.00 H new ATOM 470 N ASP A 218 -15.095 0.123 10.387 1.00 0.00 N ATOM 471 CA ASP A 218 -14.313 -0.849 9.647 1.00 0.00 C ATOM 472 C ASP A 218 -14.557 -0.785 8.138 1.00 0.00 C ATOM 473 O ASP A 218 -13.798 -1.392 7.377 1.00 0.00 O ATOM 474 CB ASP A 218 -14.520 -2.248 10.261 1.00 0.00 C ATOM 475 CG ASP A 218 -13.193 -2.855 10.708 1.00 0.00 C ATOM 476 OD1 ASP A 218 -12.203 -2.763 9.946 1.00 0.00 O ATOM 477 OD2 ASP A 218 -13.129 -3.456 11.802 1.00 0.00 O ATOM 0 H ASP A 218 -16.096 0.067 10.198 1.00 0.00 H new ATOM 0 HA ASP A 218 -13.256 -0.601 9.746 1.00 0.00 H new ATOM 0 HB2 ASP A 218 -15.196 -2.178 11.113 1.00 0.00 H new ATOM 0 HB3 ASP A 218 -14.995 -2.903 9.530 1.00 0.00 H new ATOM 482 N TRP A 219 -15.550 -0.015 7.666 1.00 0.00 N ATOM 483 CA TRP A 219 -15.658 0.290 6.236 1.00 0.00 C ATOM 484 C TRP A 219 -14.575 1.301 5.861 1.00 0.00 C ATOM 485 O TRP A 219 -13.965 1.191 4.796 1.00 0.00 O ATOM 486 CB TRP A 219 -17.052 0.838 5.891 1.00 0.00 C ATOM 487 CG TRP A 219 -17.343 1.004 4.423 1.00 0.00 C ATOM 488 CD1 TRP A 219 -16.805 1.939 3.603 1.00 0.00 C ATOM 489 CD2 TRP A 219 -18.228 0.207 3.578 1.00 0.00 C ATOM 490 NE1 TRP A 219 -17.291 1.779 2.319 1.00 0.00 N ATOM 491 CE2 TRP A 219 -18.175 0.720 2.248 1.00 0.00 C ATOM 492 CE3 TRP A 219 -19.084 -0.890 3.809 1.00 0.00 C ATOM 493 CZ2 TRP A 219 -18.914 0.147 1.199 1.00 0.00 C ATOM 494 CZ3 TRP A 219 -19.844 -1.456 2.769 1.00 0.00 C ATOM 495 CH2 TRP A 219 -19.749 -0.950 1.462 1.00 0.00 C ATOM 0 H TRP A 219 -16.278 0.401 8.246 1.00 0.00 H new ATOM 0 HA TRP A 219 -15.517 -0.627 5.664 1.00 0.00 H new ATOM 0 HB2 TRP A 219 -17.801 0.170 6.318 1.00 0.00 H new ATOM 0 HB3 TRP A 219 -17.173 1.805 6.378 1.00 0.00 H new ATOM 0 HD1 TRP A 219 -16.100 2.698 3.908 1.00 0.00 H new ATOM 0 HE1 TRP A 219 -17.031 2.367 1.527 1.00 0.00 H new ATOM 0 HE3 TRP A 219 -19.158 -1.304 4.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 219 -18.840 0.547 0.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 219 -20.505 -2.285 2.977 1.00 0.00 H new ATOM 0 HH2 TRP A 219 -20.316 -1.403 0.663 1.00 0.00 H new ATOM 506 N ASP A 220 -14.357 2.280 6.742 1.00 0.00 N ATOM 507 CA ASP A 220 -13.409 3.373 6.598 1.00 0.00 C ATOM 508 C ASP A 220 -12.002 2.801 6.681 1.00 0.00 C ATOM 509 O ASP A 220 -11.436 2.641 7.764 1.00 0.00 O ATOM 510 CB ASP A 220 -13.661 4.453 7.667 1.00 0.00 C ATOM 511 CG ASP A 220 -14.743 5.452 7.257 1.00 0.00 C ATOM 512 OD1 ASP A 220 -15.577 5.128 6.384 1.00 0.00 O ATOM 513 OD2 ASP A 220 -14.717 6.599 7.754 1.00 0.00 O ATOM 0 H ASP A 220 -14.869 2.329 7.623 1.00 0.00 H new ATOM 0 HA ASP A 220 -13.534 3.860 5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 220 -13.952 3.972 8.601 1.00 0.00 H new ATOM 0 HB3 ASP A 220 -12.732 4.990 7.861 1.00 0.00 H new ATOM 518 N LYS A 221 -11.461 2.416 5.529 1.00 0.00 N ATOM 519 CA LYS A 221 -10.119 1.877 5.385 1.00 0.00 C ATOM 520 C LYS A 221 -9.210 2.924 4.760 1.00 0.00 C ATOM 521 O LYS A 221 -9.653 3.631 3.850 1.00 0.00 O ATOM 522 CB LYS A 221 -10.174 0.621 4.505 1.00 0.00 C ATOM 523 CG LYS A 221 -10.892 -0.585 5.141 1.00 0.00 C ATOM 524 CD LYS A 221 -10.501 -0.783 6.615 1.00 0.00 C ATOM 525 CE LYS A 221 -10.717 -2.204 7.133 1.00 0.00 C ATOM 526 NZ LYS A 221 -9.689 -3.135 6.627 1.00 0.00 N ATOM 0 H LYS A 221 -11.964 2.474 4.643 1.00 0.00 H new ATOM 0 HA LYS A 221 -9.719 1.611 6.364 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -10.675 0.872 3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -9.155 0.327 4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -11.970 -0.443 5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -10.651 -1.487 4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -9.451 -0.518 6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -11.079 -0.092 7.229 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -10.699 -2.200 8.223 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -11.704 -2.554 6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -9.850 -4.081 7.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -9.745 -3.184 5.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -8.746 -2.797 6.907 1.00 0.00 H new ATOM 540 N PRO A 222 -7.921 2.948 5.134 1.00 0.00 N ATOM 541 CA PRO A 222 -7.017 4.013 4.747 1.00 0.00 C ATOM 542 C PRO A 222 -6.788 3.976 3.243 1.00 0.00 C ATOM 543 O PRO A 222 -6.572 2.909 2.659 1.00 0.00 O ATOM 544 CB PRO A 222 -5.746 3.784 5.556 1.00 0.00 C ATOM 545 CG PRO A 222 -5.733 2.276 5.792 1.00 0.00 C ATOM 546 CD PRO A 222 -7.213 1.922 5.889 1.00 0.00 C ATOM 0 HA PRO A 222 -7.412 5.007 4.955 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -4.860 4.112 5.011 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -5.765 4.336 6.496 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -5.245 1.745 4.974 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -5.197 2.017 6.705 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -7.405 0.931 5.477 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -7.543 1.904 6.928 1.00 0.00 H new ATOM 554 N GLU A 223 -6.933 5.128 2.597 1.00 0.00 N ATOM 555 CA GLU A 223 -6.967 5.203 1.143 1.00 0.00 C ATOM 556 C GLU A 223 -5.567 4.966 0.587 1.00 0.00 C ATOM 557 O GLU A 223 -5.421 4.170 -0.338 1.00 0.00 O ATOM 558 CB GLU A 223 -7.546 6.526 0.617 1.00 0.00 C ATOM 559 CG GLU A 223 -8.598 7.184 1.523 1.00 0.00 C ATOM 560 CD GLU A 223 -7.936 8.032 2.596 1.00 0.00 C ATOM 561 OE1 GLU A 223 -7.339 9.079 2.252 1.00 0.00 O ATOM 562 OE2 GLU A 223 -7.889 7.619 3.774 1.00 0.00 O ATOM 0 H GLU A 223 -7.030 6.030 3.064 1.00 0.00 H new ATOM 0 HA GLU A 223 -7.642 4.421 0.794 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -6.727 7.229 0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -7.993 6.346 -0.361 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -9.264 7.804 0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -9.214 6.415 1.990 1.00 0.00 H new ATOM 569 N HIS A 224 -4.555 5.634 1.146 1.00 0.00 N ATOM 570 CA HIS A 224 -3.152 5.389 0.843 1.00 0.00 C ATOM 571 C HIS A 224 -2.660 4.260 1.752 1.00 0.00 C ATOM 572 O HIS A 224 -2.625 4.424 2.980 1.00 0.00 O ATOM 573 CB HIS A 224 -2.338 6.681 0.997 1.00 0.00 C ATOM 574 CG HIS A 224 -2.813 7.784 0.092 1.00 0.00 C ATOM 575 ND1 HIS A 224 -3.631 8.816 0.470 1.00 0.00 N ATOM 576 CD2 HIS A 224 -2.548 7.922 -1.243 1.00 0.00 C ATOM 577 CE1 HIS A 224 -3.855 9.577 -0.608 1.00 0.00 C ATOM 578 NE2 HIS A 224 -3.234 9.062 -1.689 1.00 0.00 N ATOM 0 H HIS A 224 -4.696 6.373 1.834 1.00 0.00 H new ATOM 0 HA HIS A 224 -3.024 5.076 -0.193 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -2.394 7.018 2.032 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -1.289 6.471 0.786 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -1.926 7.274 -1.843 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -4.450 10.478 -0.612 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -3.258 9.428 -2.641 1.00 0.00 H new ATOM 586 N ILE A 225 -2.280 3.125 1.165 1.00 0.00 N ATOM 587 CA ILE A 225 -1.701 1.974 1.854 1.00 0.00 C ATOM 588 C ILE A 225 -0.245 1.772 1.407 1.00 0.00 C ATOM 589 O ILE A 225 0.081 2.096 0.266 1.00 0.00 O ATOM 590 CB ILE A 225 -2.552 0.711 1.615 1.00 0.00 C ATOM 591 CG1 ILE A 225 -2.597 0.254 0.135 1.00 0.00 C ATOM 592 CG2 ILE A 225 -3.980 0.943 2.137 1.00 0.00 C ATOM 593 CD1 ILE A 225 -3.129 -1.173 -0.044 1.00 0.00 C ATOM 0 H ILE A 225 -2.371 2.978 0.160 1.00 0.00 H new ATOM 0 HA ILE A 225 -1.700 2.165 2.927 1.00 0.00 H new ATOM 0 HB ILE A 225 -2.068 -0.096 2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -3.225 0.942 -0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -1.594 0.316 -0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -4.579 0.049 1.967 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -3.946 1.160 3.205 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -4.428 1.786 1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -3.134 -1.429 -1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -2.488 -1.871 0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -4.144 -1.235 0.349 1.00 0.00 H new ATOM 605 N PRO A 226 0.642 1.246 2.266 1.00 0.00 N ATOM 606 CA PRO A 226 2.037 1.043 1.907 1.00 0.00 C ATOM 607 C PRO A 226 2.128 -0.133 0.931 1.00 0.00 C ATOM 608 O PRO A 226 1.481 -1.161 1.154 1.00 0.00 O ATOM 609 CB PRO A 226 2.755 0.790 3.231 1.00 0.00 C ATOM 610 CG PRO A 226 1.682 0.173 4.130 1.00 0.00 C ATOM 611 CD PRO A 226 0.360 0.727 3.595 1.00 0.00 C ATOM 0 HA PRO A 226 2.496 1.891 1.399 1.00 0.00 H new ATOM 0 HB2 PRO A 226 3.602 0.116 3.102 1.00 0.00 H new ATOM 0 HB3 PRO A 226 3.146 1.715 3.655 1.00 0.00 H new ATOM 0 HG2 PRO A 226 1.703 -0.916 4.082 1.00 0.00 H new ATOM 0 HG3 PRO A 226 1.833 0.449 5.174 1.00 0.00 H new ATOM 0 HD2 PRO A 226 -0.400 -0.053 3.554 1.00 0.00 H new ATOM 0 HD3 PRO A 226 -0.024 1.513 4.246 1.00 0.00 H new ATOM 619 N ASP A 227 2.917 0.037 -0.132 1.00 0.00 N ATOM 620 CA ASP A 227 2.958 -0.796 -1.330 1.00 0.00 C ATOM 621 C ASP A 227 3.190 -2.279 -1.015 1.00 0.00 C ATOM 622 O ASP A 227 4.328 -2.663 -0.721 1.00 0.00 O ATOM 623 CB ASP A 227 4.042 -0.274 -2.276 1.00 0.00 C ATOM 624 CG ASP A 227 4.133 -1.071 -3.575 1.00 0.00 C ATOM 625 OD1 ASP A 227 3.202 -1.850 -3.883 1.00 0.00 O ATOM 626 OD2 ASP A 227 5.117 -0.864 -4.325 1.00 0.00 O ATOM 0 H ASP A 227 3.584 0.807 -0.180 1.00 0.00 H new ATOM 0 HA ASP A 227 1.981 -0.731 -1.809 1.00 0.00 H new ATOM 0 HB2 ASP A 227 3.840 0.771 -2.511 1.00 0.00 H new ATOM 0 HB3 ASP A 227 5.006 -0.306 -1.768 1.00 0.00 H new ATOM 631 N PRO A 228 2.149 -3.130 -1.072 1.00 0.00 N ATOM 632 CA PRO A 228 2.297 -4.553 -0.833 1.00 0.00 C ATOM 633 C PRO A 228 2.943 -5.286 -2.018 1.00 0.00 C ATOM 634 O PRO A 228 3.261 -6.470 -1.883 1.00 0.00 O ATOM 635 CB PRO A 228 0.885 -5.067 -0.531 1.00 0.00 C ATOM 636 CG PRO A 228 -0.075 -4.027 -1.106 1.00 0.00 C ATOM 637 CD PRO A 228 0.781 -2.812 -1.455 1.00 0.00 C ATOM 0 HA PRO A 228 2.975 -4.743 -0.001 1.00 0.00 H new ATOM 0 HB2 PRO A 228 0.720 -6.044 -0.986 1.00 0.00 H new ATOM 0 HB3 PRO A 228 0.734 -5.186 0.542 1.00 0.00 H new ATOM 0 HG2 PRO A 228 -0.584 -4.412 -1.989 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -0.847 -3.766 -0.382 1.00 0.00 H new ATOM 0 HD2 PRO A 228 0.720 -2.591 -2.521 1.00 0.00 H new ATOM 0 HD3 PRO A 228 0.428 -1.927 -0.925 1.00 0.00 H new ATOM 645 N ASP A 229 3.147 -4.649 -3.178 1.00 0.00 N ATOM 646 CA ASP A 229 3.883 -5.252 -4.295 1.00 0.00 C ATOM 647 C ASP A 229 5.366 -5.356 -3.953 1.00 0.00 C ATOM 648 O ASP A 229 6.027 -6.311 -4.357 1.00 0.00 O ATOM 649 CB ASP A 229 3.718 -4.392 -5.555 1.00 0.00 C ATOM 650 CG ASP A 229 4.082 -5.101 -6.858 1.00 0.00 C ATOM 651 OD1 ASP A 229 3.633 -6.248 -7.076 1.00 0.00 O ATOM 652 OD2 ASP A 229 4.600 -4.425 -7.778 1.00 0.00 O ATOM 0 H ASP A 229 2.808 -3.706 -3.368 1.00 0.00 H new ATOM 0 HA ASP A 229 3.482 -6.249 -4.476 1.00 0.00 H new ATOM 0 HB2 ASP A 229 2.683 -4.055 -5.616 1.00 0.00 H new ATOM 0 HB3 ASP A 229 4.338 -3.501 -5.455 1.00 0.00 H new ATOM 657 N ALA A 230 5.879 -4.386 -3.191 1.00 0.00 N ATOM 658 CA ALA A 230 7.294 -4.238 -2.900 1.00 0.00 C ATOM 659 C ALA A 230 7.623 -4.773 -1.504 1.00 0.00 C ATOM 660 O ALA A 230 6.722 -4.978 -0.682 1.00 0.00 O ATOM 661 CB ALA A 230 7.625 -2.754 -3.031 1.00 0.00 C ATOM 0 H ALA A 230 5.302 -3.668 -2.752 1.00 0.00 H new ATOM 0 HA ALA A 230 7.898 -4.818 -3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 230 8.683 -2.597 -2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 230 7.404 -2.420 -4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 230 7.025 -2.183 -2.322 1.00 0.00 H new ATOM 667 N LYS A 231 8.907 -5.006 -1.207 1.00 0.00 N ATOM 668 CA LYS A 231 9.350 -5.513 0.098 1.00 0.00 C ATOM 669 C LYS A 231 10.814 -5.207 0.422 1.00 0.00 C ATOM 670 O LYS A 231 11.457 -5.988 1.122 1.00 0.00 O ATOM 671 CB LYS A 231 9.031 -7.020 0.192 1.00 0.00 C ATOM 672 CG LYS A 231 9.840 -7.930 -0.743 1.00 0.00 C ATOM 673 CD LYS A 231 10.951 -8.657 0.020 1.00 0.00 C ATOM 674 CE LYS A 231 11.029 -10.106 -0.426 1.00 0.00 C ATOM 675 NZ LYS A 231 11.772 -10.264 -1.691 1.00 0.00 N ATOM 0 H LYS A 231 9.670 -4.848 -1.866 1.00 0.00 H new ATOM 0 HA LYS A 231 8.792 -4.976 0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 231 9.198 -7.345 1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 231 7.971 -7.162 -0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 231 9.177 -8.659 -1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 231 10.275 -7.336 -1.547 1.00 0.00 H new ATOM 0 HD2 LYS A 231 11.907 -8.163 -0.155 1.00 0.00 H new ATOM 0 HD3 LYS A 231 10.759 -8.608 1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 231 11.511 -10.698 0.352 1.00 0.00 H new ATOM 0 HE3 LYS A 231 10.020 -10.501 -0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 11.798 -11.270 -1.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 11.299 -9.722 -2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 12.743 -9.912 -1.569 1.00 0.00 H new ATOM 689 N LYS A 232 11.313 -4.055 -0.027 1.00 0.00 N ATOM 690 CA LYS A 232 12.710 -3.657 -0.120 1.00 0.00 C ATOM 691 C LYS A 232 13.431 -4.568 -1.117 1.00 0.00 C ATOM 692 O LYS A 232 13.465 -5.784 -0.907 1.00 0.00 O ATOM 693 CB LYS A 232 13.360 -3.607 1.261 1.00 0.00 C ATOM 694 CG LYS A 232 14.770 -3.001 1.224 1.00 0.00 C ATOM 695 CD LYS A 232 15.315 -2.795 2.647 1.00 0.00 C ATOM 696 CE LYS A 232 16.152 -3.993 3.100 1.00 0.00 C ATOM 697 NZ LYS A 232 17.561 -3.835 2.690 1.00 0.00 N ATOM 0 H LYS A 232 10.694 -3.317 -0.362 1.00 0.00 H new ATOM 0 HA LYS A 232 12.787 -2.640 -0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 232 12.733 -3.021 1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 232 13.412 -4.615 1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 232 15.438 -3.657 0.666 1.00 0.00 H new ATOM 0 HG3 LYS A 232 14.747 -2.047 0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 232 15.923 -1.891 2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 232 14.486 -2.646 3.338 1.00 0.00 H new ATOM 0 HE2 LYS A 232 16.093 -4.094 4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 232 15.745 -4.909 2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 17.993 -4.773 2.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 17.605 -3.309 1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 18.080 -3.312 3.424 1.00 0.00 H new ATOM 711 N PRO A 233 13.971 -4.025 -2.220 1.00 0.00 N ATOM 712 CA PRO A 233 14.563 -4.848 -3.258 1.00 0.00 C ATOM 713 C PRO A 233 15.763 -5.648 -2.749 1.00 0.00 C ATOM 714 O PRO A 233 16.453 -5.249 -1.811 1.00 0.00 O ATOM 715 CB PRO A 233 14.953 -3.901 -4.392 1.00 0.00 C ATOM 716 CG PRO A 233 14.691 -2.482 -3.900 1.00 0.00 C ATOM 717 CD PRO A 233 13.879 -2.633 -2.623 1.00 0.00 C ATOM 0 HA PRO A 233 13.850 -5.597 -3.603 1.00 0.00 H new ATOM 0 HB2 PRO A 233 16.002 -4.029 -4.657 1.00 0.00 H new ATOM 0 HB3 PRO A 233 14.369 -4.112 -5.288 1.00 0.00 H new ATOM 0 HG2 PRO A 233 15.626 -1.955 -3.710 1.00 0.00 H new ATOM 0 HG3 PRO A 233 14.145 -1.904 -4.645 1.00 0.00 H new ATOM 0 HD2 PRO A 233 14.266 -1.979 -1.841 1.00 0.00 H new ATOM 0 HD3 PRO A 233 12.840 -2.349 -2.791 1.00 0.00 H new ATOM 725 N GLU A 234 16.054 -6.752 -3.439 1.00 0.00 N ATOM 726 CA GLU A 234 17.301 -7.500 -3.306 1.00 0.00 C ATOM 727 C GLU A 234 18.474 -6.670 -3.856 1.00 0.00 C ATOM 728 O GLU A 234 19.620 -6.909 -3.489 1.00 0.00 O ATOM 729 CB GLU A 234 17.130 -8.854 -4.026 1.00 0.00 C ATOM 730 CG GLU A 234 16.481 -9.901 -3.097 1.00 0.00 C ATOM 731 CD GLU A 234 15.662 -10.973 -3.834 1.00 0.00 C ATOM 732 OE1 GLU A 234 16.256 -11.809 -4.542 1.00 0.00 O ATOM 733 OE2 GLU A 234 14.414 -10.989 -3.663 1.00 0.00 O ATOM 0 H GLU A 234 15.413 -7.158 -4.121 1.00 0.00 H new ATOM 0 HA GLU A 234 17.532 -7.699 -2.260 1.00 0.00 H new ATOM 0 HB2 GLU A 234 16.514 -8.721 -4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 234 18.102 -9.215 -4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 234 17.263 -10.391 -2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 234 15.832 -9.388 -2.387 1.00 0.00 H new ATOM 740 N ASP A 235 18.179 -5.648 -4.667 1.00 0.00 N ATOM 741 CA ASP A 235 19.082 -4.609 -5.159 1.00 0.00 C ATOM 742 C ASP A 235 18.903 -3.279 -4.404 1.00 0.00 C ATOM 743 O ASP A 235 19.223 -2.219 -4.940 1.00 0.00 O ATOM 744 CB ASP A 235 18.914 -4.445 -6.685 1.00 0.00 C ATOM 745 CG ASP A 235 17.523 -3.966 -7.128 1.00 0.00 C ATOM 746 OD1 ASP A 235 16.551 -4.752 -7.022 1.00 0.00 O ATOM 747 OD2 ASP A 235 17.386 -2.868 -7.721 1.00 0.00 O ATOM 0 H ASP A 235 17.231 -5.519 -5.021 1.00 0.00 H new ATOM 0 HA ASP A 235 20.107 -4.924 -4.963 1.00 0.00 H new ATOM 0 HB2 ASP A 235 19.660 -3.736 -7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 235 19.125 -5.401 -7.165 1.00 0.00 H new ATOM 752 N TRP A 236 18.369 -3.290 -3.176 1.00 0.00 N ATOM 753 CA TRP A 236 18.497 -2.145 -2.274 1.00 0.00 C ATOM 754 C TRP A 236 19.852 -2.172 -1.577 1.00 0.00 C ATOM 755 O TRP A 236 20.275 -3.225 -1.096 1.00 0.00 O ATOM 756 CB TRP A 236 17.406 -2.166 -1.200 1.00 0.00 C ATOM 757 CG TRP A 236 17.350 -0.924 -0.371 1.00 0.00 C ATOM 758 CD1 TRP A 236 17.926 -0.737 0.838 1.00 0.00 C ATOM 759 CD2 TRP A 236 16.816 0.373 -0.755 1.00 0.00 C ATOM 760 NE1 TRP A 236 17.735 0.568 1.244 1.00 0.00 N ATOM 761 CE2 TRP A 236 17.082 1.305 0.286 1.00 0.00 C ATOM 762 CE3 TRP A 236 16.183 0.862 -1.913 1.00 0.00 C ATOM 763 CZ2 TRP A 236 16.733 2.656 0.189 1.00 0.00 C ATOM 764 CZ3 TRP A 236 15.813 2.217 -2.015 1.00 0.00 C ATOM 765 CH2 TRP A 236 16.102 3.116 -0.974 1.00 0.00 C ATOM 0 H TRP A 236 17.847 -4.076 -2.788 1.00 0.00 H new ATOM 0 HA TRP A 236 18.398 -1.242 -2.876 1.00 0.00 H new ATOM 0 HB2 TRP A 236 16.439 -2.314 -1.681 1.00 0.00 H new ATOM 0 HB3 TRP A 236 17.571 -3.021 -0.545 1.00 0.00 H new ATOM 0 HD1 TRP A 236 18.454 -1.493 1.400 1.00 0.00 H new ATOM 0 HE1 TRP A 236 18.041 0.939 2.144 1.00 0.00 H new ATOM 0 HE3 TRP A 236 15.979 0.190 -2.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 16.947 3.336 1.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 15.303 2.568 -2.900 1.00 0.00 H new ATOM 0 HH2 TRP A 236 15.838 4.159 -1.070 1.00 0.00 H new ATOM 776 N ASP A 237 20.460 -0.998 -1.423 1.00 0.00 N ATOM 777 CA ASP A 237 21.710 -0.793 -0.707 1.00 0.00 C ATOM 778 C ASP A 237 21.452 0.204 0.418 1.00 0.00 C ATOM 779 O ASP A 237 21.141 1.374 0.187 1.00 0.00 O ATOM 780 CB ASP A 237 22.800 -0.308 -1.658 1.00 0.00 C ATOM 781 CG ASP A 237 24.173 -0.265 -0.966 1.00 0.00 C ATOM 782 OD1 ASP A 237 24.217 -0.022 0.265 1.00 0.00 O ATOM 783 OD2 ASP A 237 25.176 -0.479 -1.680 1.00 0.00 O ATOM 0 H ASP A 237 20.079 -0.134 -1.809 1.00 0.00 H new ATOM 0 HA ASP A 237 22.064 -1.731 -0.280 1.00 0.00 H new ATOM 0 HB2 ASP A 237 22.848 -0.968 -2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 237 22.546 0.686 -2.028 1.00 0.00 H new ATOM 788 N GLU A 238 21.504 -0.299 1.647 1.00 0.00 N ATOM 789 CA GLU A 238 21.108 0.410 2.856 1.00 0.00 C ATOM 790 C GLU A 238 22.296 1.104 3.527 1.00 0.00 C ATOM 791 O GLU A 238 22.085 1.873 4.463 1.00 0.00 O ATOM 792 CB GLU A 238 20.392 -0.620 3.745 1.00 0.00 C ATOM 793 CG GLU A 238 19.576 -0.122 4.948 1.00 0.00 C ATOM 794 CD GLU A 238 18.374 -1.030 5.294 1.00 0.00 C ATOM 795 OE1 GLU A 238 18.170 -2.082 4.636 1.00 0.00 O ATOM 796 OE2 GLU A 238 17.599 -0.670 6.210 1.00 0.00 O ATOM 0 H GLU A 238 21.835 -1.246 1.834 1.00 0.00 H new ATOM 0 HA GLU A 238 20.427 1.233 2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 238 19.721 -1.196 3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 238 21.146 -1.311 4.121 1.00 0.00 H new ATOM 0 HG2 GLU A 238 20.230 -0.051 5.817 1.00 0.00 H new ATOM 0 HG3 GLU A 238 19.213 0.884 4.740 1.00 0.00 H new ATOM 803 N GLU A 239 23.522 0.904 3.027 1.00 0.00 N ATOM 804 CA GLU A 239 24.648 1.783 3.341 1.00 0.00 C ATOM 805 C GLU A 239 24.732 2.914 2.302 1.00 0.00 C ATOM 806 O GLU A 239 25.341 3.949 2.582 1.00 0.00 O ATOM 807 CB GLU A 239 25.971 0.989 3.441 1.00 0.00 C ATOM 808 CG GLU A 239 26.025 0.109 4.706 1.00 0.00 C ATOM 809 CD GLU A 239 27.422 -0.474 4.993 1.00 0.00 C ATOM 810 OE1 GLU A 239 28.312 0.305 5.410 1.00 0.00 O ATOM 811 OE2 GLU A 239 27.588 -1.711 4.867 1.00 0.00 O ATOM 0 H GLU A 239 23.757 0.135 2.400 1.00 0.00 H new ATOM 0 HA GLU A 239 24.482 2.233 4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 239 26.084 0.361 2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 239 26.811 1.684 3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 239 25.704 0.700 5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 239 25.314 -0.710 4.599 1.00 0.00 H new ATOM 818 N MET A 240 24.095 2.764 1.131 1.00 0.00 N ATOM 819 CA MET A 240 24.118 3.767 0.071 1.00 0.00 C ATOM 820 C MET A 240 22.976 4.772 0.230 1.00 0.00 C ATOM 821 O MET A 240 23.233 5.975 0.224 1.00 0.00 O ATOM 822 CB MET A 240 24.083 3.091 -1.313 1.00 0.00 C ATOM 823 CG MET A 240 24.334 4.065 -2.477 1.00 0.00 C ATOM 824 SD MET A 240 26.041 4.204 -3.107 1.00 0.00 S ATOM 825 CE MET A 240 26.974 4.571 -1.597 1.00 0.00 C ATOM 0 H MET A 240 23.548 1.936 0.897 1.00 0.00 H new ATOM 0 HA MET A 240 25.051 4.324 0.152 1.00 0.00 H new ATOM 0 HB2 MET A 240 24.834 2.301 -1.342 1.00 0.00 H new ATOM 0 HB3 MET A 240 23.113 2.614 -1.451 1.00 0.00 H new ATOM 0 HG2 MET A 240 23.692 3.769 -3.307 1.00 0.00 H new ATOM 0 HG3 MET A 240 24.010 5.057 -2.161 1.00 0.00 H new ATOM 0 HE1 MET A 240 28.015 4.768 -1.852 1.00 0.00 H new ATOM 0 HE2 MET A 240 26.548 5.448 -1.110 1.00 0.00 H new ATOM 0 HE3 MET A 240 26.921 3.718 -0.920 1.00 0.00 H new ATOM 835 N ASP A 241 21.725 4.305 0.333 1.00 0.00 N ATOM 836 CA ASP A 241 20.534 5.175 0.298 1.00 0.00 C ATOM 837 C ASP A 241 19.827 5.227 1.664 1.00 0.00 C ATOM 838 O ASP A 241 18.873 5.987 1.862 1.00 0.00 O ATOM 839 CB ASP A 241 19.575 4.739 -0.835 1.00 0.00 C ATOM 840 CG ASP A 241 18.944 5.891 -1.639 1.00 0.00 C ATOM 841 OD1 ASP A 241 18.958 7.055 -1.181 1.00 0.00 O ATOM 842 OD2 ASP A 241 18.453 5.620 -2.766 1.00 0.00 O ATOM 0 H ASP A 241 21.506 3.315 0.443 1.00 0.00 H new ATOM 0 HA ASP A 241 20.864 6.191 0.081 1.00 0.00 H new ATOM 0 HB2 ASP A 241 20.121 4.093 -1.523 1.00 0.00 H new ATOM 0 HB3 ASP A 241 18.775 4.139 -0.401 1.00 0.00 H new ATOM 847 N GLY A 242 20.311 4.449 2.640 1.00 0.00 N ATOM 848 CA GLY A 242 19.749 4.322 3.972 1.00 0.00 C ATOM 849 C GLY A 242 18.560 3.373 3.966 1.00 0.00 C ATOM 850 O GLY A 242 18.363 2.597 3.032 1.00 0.00 O ATOM 0 H GLY A 242 21.140 3.870 2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 242 20.511 3.954 4.660 1.00 0.00 H new ATOM 0 HA3 GLY A 242 19.437 5.301 4.335 1.00 0.00 H new ATOM 854 N GLU A 243 17.804 3.359 5.059 1.00 0.00 N ATOM 855 CA GLU A 243 16.667 2.461 5.209 1.00 0.00 C ATOM 856 C GLU A 243 15.596 2.779 4.158 1.00 0.00 C ATOM 857 O GLU A 243 15.235 3.941 3.945 1.00 0.00 O ATOM 858 CB GLU A 243 16.118 2.531 6.644 1.00 0.00 C ATOM 859 CG GLU A 243 14.758 1.826 6.767 1.00 0.00 C ATOM 860 CD GLU A 243 14.252 1.719 8.200 1.00 0.00 C ATOM 861 OE1 GLU A 243 14.558 0.698 8.863 1.00 0.00 O ATOM 862 OE2 GLU A 243 13.448 2.576 8.637 1.00 0.00 O ATOM 0 H GLU A 243 17.962 3.968 5.862 1.00 0.00 H new ATOM 0 HA GLU A 243 16.991 1.434 5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 243 16.830 2.070 7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 243 16.016 3.574 6.944 1.00 0.00 H new ATOM 0 HG2 GLU A 243 14.023 2.367 6.171 1.00 0.00 H new ATOM 0 HG3 GLU A 243 14.838 0.825 6.343 1.00 0.00 H new ATOM 869 N TRP A 244 15.065 1.720 3.546 1.00 0.00 N ATOM 870 CA TRP A 244 14.002 1.746 2.555 1.00 0.00 C ATOM 871 C TRP A 244 12.652 2.096 3.179 1.00 0.00 C ATOM 872 O TRP A 244 12.333 1.659 4.295 1.00 0.00 O ATOM 873 CB TRP A 244 13.916 0.342 1.954 1.00 0.00 C ATOM 874 CG TRP A 244 12.895 0.111 0.885 1.00 0.00 C ATOM 875 CD1 TRP A 244 13.053 0.449 -0.411 1.00 0.00 C ATOM 876 CD2 TRP A 244 11.589 -0.539 0.970 1.00 0.00 C ATOM 877 NE1 TRP A 244 11.985 -0.010 -1.146 1.00 0.00 N ATOM 878 CE2 TRP A 244 11.027 -0.575 -0.339 1.00 0.00 C ATOM 879 CE3 TRP A 244 10.819 -1.115 2.005 1.00 0.00 C ATOM 880 CZ2 TRP A 244 9.773 -1.133 -0.605 1.00 0.00 C ATOM 881 CZ3 TRP A 244 9.577 -1.726 1.742 1.00 0.00 C ATOM 882 CH2 TRP A 244 9.054 -1.737 0.436 1.00 0.00 C ATOM 0 H TRP A 244 15.386 0.772 3.743 1.00 0.00 H new ATOM 0 HA TRP A 244 14.226 2.505 1.806 1.00 0.00 H new ATOM 0 HB2 TRP A 244 14.895 0.090 1.545 1.00 0.00 H new ATOM 0 HB3 TRP A 244 13.719 -0.360 2.765 1.00 0.00 H new ATOM 0 HD1 TRP A 244 13.892 0.998 -0.812 1.00 0.00 H new ATOM 0 HE1 TRP A 244 11.913 0.060 -2.161 1.00 0.00 H new ATOM 0 HE3 TRP A 244 11.190 -1.086 3.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 9.362 -1.099 -1.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 9.024 -2.188 2.546 1.00 0.00 H new ATOM 0 HH2 TRP A 244 8.103 -2.209 0.236 1.00 0.00 H new ATOM 893 N GLU A 245 11.802 2.754 2.396 1.00 0.00 N ATOM 894 CA GLU A 245 10.377 2.886 2.643 1.00 0.00 C ATOM 895 C GLU A 245 9.645 2.596 1.338 1.00 0.00 C ATOM 896 O GLU A 245 10.037 3.126 0.295 1.00 0.00 O ATOM 897 CB GLU A 245 10.020 4.312 3.050 1.00 0.00 C ATOM 898 CG GLU A 245 10.441 4.748 4.451 1.00 0.00 C ATOM 899 CD GLU A 245 10.049 6.216 4.658 1.00 0.00 C ATOM 900 OE1 GLU A 245 8.896 6.587 4.330 1.00 0.00 O ATOM 901 OE2 GLU A 245 10.921 7.013 5.080 1.00 0.00 O ATOM 0 H GLU A 245 12.101 3.225 1.542 1.00 0.00 H new ATOM 0 HA GLU A 245 10.096 2.199 3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 245 10.472 4.995 2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 245 8.940 4.430 2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 245 9.959 4.121 5.201 1.00 0.00 H new ATOM 0 HG3 GLU A 245 11.517 4.625 4.576 1.00 0.00 H new ATOM 908 N PRO A 246 8.560 1.812 1.360 1.00 0.00 N ATOM 909 CA PRO A 246 7.724 1.651 0.187 1.00 0.00 C ATOM 910 C PRO A 246 7.067 2.988 -0.198 1.00 0.00 C ATOM 911 O PRO A 246 6.925 3.881 0.647 1.00 0.00 O ATOM 912 CB PRO A 246 6.671 0.597 0.543 1.00 0.00 C ATOM 913 CG PRO A 246 6.791 0.371 2.049 1.00 0.00 C ATOM 914 CD PRO A 246 7.966 1.205 2.534 1.00 0.00 C ATOM 0 HA PRO A 246 8.310 1.333 -0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 246 5.671 0.940 0.279 1.00 0.00 H new ATOM 0 HB3 PRO A 246 6.845 -0.329 -0.005 1.00 0.00 H new ATOM 0 HG2 PRO A 246 5.873 0.667 2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 246 6.951 -0.685 2.269 1.00 0.00 H new ATOM 0 HD2 PRO A 246 7.634 1.968 3.238 1.00 0.00 H new ATOM 0 HD3 PRO A 246 8.692 0.583 3.057 1.00 0.00 H new ATOM 922 N PRO A 247 6.608 3.115 -1.453 1.00 0.00 N ATOM 923 CA PRO A 247 5.624 4.123 -1.805 1.00 0.00 C ATOM 924 C PRO A 247 4.282 3.776 -1.151 1.00 0.00 C ATOM 925 O PRO A 247 4.083 2.669 -0.637 1.00 0.00 O ATOM 926 CB PRO A 247 5.549 4.103 -3.333 1.00 0.00 C ATOM 927 CG PRO A 247 5.976 2.686 -3.721 1.00 0.00 C ATOM 928 CD PRO A 247 6.836 2.194 -2.555 1.00 0.00 C ATOM 0 HA PRO A 247 5.888 5.120 -1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 247 4.541 4.323 -3.683 1.00 0.00 H new ATOM 0 HB3 PRO A 247 6.210 4.851 -3.772 1.00 0.00 H new ATOM 0 HG2 PRO A 247 5.110 2.041 -3.872 1.00 0.00 H new ATOM 0 HG3 PRO A 247 6.540 2.686 -4.654 1.00 0.00 H new ATOM 0 HD2 PRO A 247 6.562 1.177 -2.273 1.00 0.00 H new ATOM 0 HD3 PRO A 247 7.890 2.175 -2.832 1.00 0.00 H new ATOM 936 N VAL A 248 3.339 4.707 -1.206 1.00 0.00 N ATOM 937 CA VAL A 248 2.022 4.554 -0.617 1.00 0.00 C ATOM 938 C VAL A 248 1.021 4.682 -1.756 1.00 0.00 C ATOM 939 O VAL A 248 0.892 5.741 -2.377 1.00 0.00 O ATOM 940 CB VAL A 248 1.784 5.571 0.509 1.00 0.00 C ATOM 941 CG1 VAL A 248 0.790 5.006 1.527 1.00 0.00 C ATOM 942 CG2 VAL A 248 3.037 5.963 1.298 1.00 0.00 C ATOM 0 H VAL A 248 3.474 5.605 -1.671 1.00 0.00 H new ATOM 0 HA VAL A 248 1.914 3.582 -0.136 1.00 0.00 H new ATOM 0 HB VAL A 248 1.413 6.459 -0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 248 0.628 5.735 2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 248 -0.157 4.793 1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 248 1.190 4.087 1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 248 2.770 6.684 2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 248 3.467 5.076 1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 248 3.768 6.409 0.623 1.00 0.00 H new ATOM 952 N ILE A 249 0.383 3.576 -2.103 1.00 0.00 N ATOM 953 CA ILE A 249 -0.468 3.443 -3.273 1.00 0.00 C ATOM 954 C ILE A 249 -1.922 3.569 -2.837 1.00 0.00 C ATOM 955 O ILE A 249 -2.236 3.428 -1.654 1.00 0.00 O ATOM 956 CB ILE A 249 -0.146 2.118 -3.994 1.00 0.00 C ATOM 957 CG1 ILE A 249 -0.534 0.887 -3.143 1.00 0.00 C ATOM 958 CG2 ILE A 249 1.356 2.116 -4.353 1.00 0.00 C ATOM 959 CD1 ILE A 249 -0.551 -0.420 -3.935 1.00 0.00 C ATOM 0 H ILE A 249 0.446 2.716 -1.558 1.00 0.00 H new ATOM 0 HA ILE A 249 -0.282 4.237 -3.997 1.00 0.00 H new ATOM 0 HB ILE A 249 -0.741 2.047 -4.905 1.00 0.00 H new ATOM 0 HG12 ILE A 249 0.168 0.792 -2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -1.520 1.052 -2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 249 1.607 1.187 -4.865 1.00 0.00 H new ATOM 0 HG22 ILE A 249 1.575 2.960 -5.007 1.00 0.00 H new ATOM 0 HG23 ILE A 249 1.948 2.199 -3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -0.831 -1.241 -3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -1.274 -0.344 -4.747 1.00 0.00 H new ATOM 0 HD13 ILE A 249 0.440 -0.608 -4.348 1.00 0.00 H new ATOM 971 N GLN A 250 -2.818 3.829 -3.782 1.00 0.00 N ATOM 972 CA GLN A 250 -4.237 3.828 -3.484 1.00 0.00 C ATOM 973 C GLN A 250 -4.650 2.362 -3.327 1.00 0.00 C ATOM 974 O GLN A 250 -4.383 1.551 -4.212 1.00 0.00 O ATOM 975 CB GLN A 250 -5.015 4.575 -4.586 1.00 0.00 C ATOM 976 CG GLN A 250 -6.257 5.319 -4.070 1.00 0.00 C ATOM 977 CD GLN A 250 -7.380 4.384 -3.643 1.00 0.00 C ATOM 978 OE1 GLN A 250 -8.161 3.898 -4.457 1.00 0.00 O ATOM 979 NE2 GLN A 250 -7.487 4.082 -2.361 1.00 0.00 N ATOM 0 H GLN A 250 -2.585 4.041 -4.752 1.00 0.00 H new ATOM 0 HA GLN A 250 -4.468 4.361 -2.562 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -4.348 5.290 -5.068 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -5.322 3.860 -5.350 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -5.973 5.945 -3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -6.624 5.985 -4.851 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -6.838 4.486 -1.686 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -8.219 3.445 -2.047 1.00 0.00 H new ATOM 988 N ASN A 251 -5.280 2.032 -2.198 1.00 0.00 N ATOM 989 CA ASN A 251 -5.916 0.746 -1.933 1.00 0.00 C ATOM 990 C ASN A 251 -6.724 0.318 -3.166 1.00 0.00 C ATOM 991 O ASN A 251 -7.592 1.101 -3.565 1.00 0.00 O ATOM 992 CB ASN A 251 -6.878 0.874 -0.734 1.00 0.00 C ATOM 993 CG ASN A 251 -7.203 -0.477 -0.129 1.00 0.00 C ATOM 994 OD1 ASN A 251 -7.717 -1.354 -0.816 1.00 0.00 O ATOM 995 ND2 ASN A 251 -6.919 -0.665 1.152 1.00 0.00 N ATOM 0 H ASN A 251 -5.363 2.680 -1.415 1.00 0.00 H new ATOM 0 HA ASN A 251 -5.146 0.007 -1.709 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -6.430 1.514 0.026 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -7.799 1.359 -1.057 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -7.128 -1.560 1.595 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -6.492 0.085 1.695 1.00 0.00 H new ATOM 1002 N PRO A 252 -6.509 -0.871 -3.762 1.00 0.00 N ATOM 1003 CA PRO A 252 -7.230 -1.326 -4.957 1.00 0.00 C ATOM 1004 C PRO A 252 -8.681 -1.750 -4.637 1.00 0.00 C ATOM 1005 O PRO A 252 -9.171 -2.788 -5.076 1.00 0.00 O ATOM 1006 CB PRO A 252 -6.362 -2.459 -5.520 1.00 0.00 C ATOM 1007 CG PRO A 252 -5.748 -3.065 -4.262 1.00 0.00 C ATOM 1008 CD PRO A 252 -5.473 -1.832 -3.407 1.00 0.00 C ATOM 0 HA PRO A 252 -7.363 -0.534 -5.694 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -6.955 -3.187 -6.073 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -5.600 -2.084 -6.203 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -6.431 -3.757 -3.769 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -4.835 -3.619 -4.481 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -5.511 -2.075 -2.345 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -4.480 -1.430 -3.607 1.00 0.00 H new ATOM 1016 N GLU A 253 -9.370 -0.943 -3.836 1.00 0.00 N ATOM 1017 CA GLU A 253 -10.768 -0.894 -3.518 1.00 0.00 C ATOM 1018 C GLU A 253 -11.038 0.446 -2.844 1.00 0.00 C ATOM 1019 O GLU A 253 -11.635 1.331 -3.455 1.00 0.00 O ATOM 1020 CB GLU A 253 -11.155 -2.074 -2.610 1.00 0.00 C ATOM 1021 CG GLU A 253 -12.077 -2.916 -3.460 1.00 0.00 C ATOM 1022 CD GLU A 253 -12.442 -4.240 -2.797 1.00 0.00 C ATOM 1023 OE1 GLU A 253 -12.963 -4.223 -1.655 1.00 0.00 O ATOM 1024 OE2 GLU A 253 -12.194 -5.308 -3.399 1.00 0.00 O ATOM 0 H GLU A 253 -8.875 -0.209 -3.330 1.00 0.00 H new ATOM 0 HA GLU A 253 -11.375 -0.981 -4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -10.277 -2.639 -2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -11.653 -1.731 -1.703 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -12.988 -2.354 -3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -11.600 -3.114 -4.420 1.00 0.00 H new ATOM 1031 N TYR A 254 -10.630 0.586 -1.579 1.00 0.00 N ATOM 1032 CA TYR A 254 -11.055 1.627 -0.633 1.00 0.00 C ATOM 1033 C TYR A 254 -12.586 1.830 -0.496 1.00 0.00 C ATOM 1034 O TYR A 254 -13.067 2.664 0.262 1.00 0.00 O ATOM 1035 CB TYR A 254 -10.239 2.891 -0.968 1.00 0.00 C ATOM 1036 CG TYR A 254 -10.942 4.185 -0.697 1.00 0.00 C ATOM 1037 CD1 TYR A 254 -11.867 4.653 -1.642 1.00 0.00 C ATOM 1038 CD2 TYR A 254 -10.831 4.798 0.560 1.00 0.00 C ATOM 1039 CE1 TYR A 254 -12.679 5.747 -1.346 1.00 0.00 C ATOM 1040 CE2 TYR A 254 -11.581 5.955 0.823 1.00 0.00 C ATOM 1041 CZ TYR A 254 -12.511 6.434 -0.127 1.00 0.00 C ATOM 1042 OH TYR A 254 -13.268 7.530 0.148 1.00 0.00 O ATOM 0 H TYR A 254 -9.958 -0.058 -1.163 1.00 0.00 H new ATOM 0 HA TYR A 254 -10.833 1.307 0.385 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -9.313 2.870 -0.394 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -9.962 2.858 -2.022 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -11.950 4.164 -2.602 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -10.178 4.386 1.315 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -13.434 6.067 -2.049 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -11.447 6.482 1.756 1.00 0.00 H new ATOM 0 HH TYR A 254 -13.026 7.882 1.030 1.00 0.00 H new ATOM 1052 N LYS A 255 -13.351 0.892 -1.033 1.00 0.00 N ATOM 1053 CA LYS A 255 -14.779 0.845 -1.222 1.00 0.00 C ATOM 1054 C LYS A 255 -15.331 2.229 -1.530 1.00 0.00 C ATOM 1055 O LYS A 255 -15.887 2.884 -0.650 1.00 0.00 O ATOM 1056 CB LYS A 255 -15.447 0.162 -0.039 1.00 0.00 C ATOM 1057 CG LYS A 255 -14.943 -1.251 0.245 1.00 0.00 C ATOM 1058 CD LYS A 255 -15.727 -1.820 1.434 1.00 0.00 C ATOM 1059 CE LYS A 255 -14.988 -1.736 2.774 1.00 0.00 C ATOM 1060 NZ LYS A 255 -13.888 -2.716 2.826 1.00 0.00 N ATOM 0 H LYS A 255 -12.920 0.039 -1.390 1.00 0.00 H new ATOM 0 HA LYS A 255 -15.012 0.236 -2.095 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -15.295 0.774 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -16.521 0.121 -0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -15.075 -1.883 -0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -13.876 -1.234 0.468 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -16.673 -1.285 1.520 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -15.968 -2.863 1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -14.592 -0.730 2.914 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -15.685 -1.921 3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -13.411 -2.654 3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -14.271 -3.674 2.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -13.205 -2.512 2.069 1.00 0.00 H new ATOM 1074 N GLY A 256 -15.138 2.638 -2.791 1.00 0.00 N ATOM 1075 CA GLY A 256 -15.425 3.946 -3.365 1.00 0.00 C ATOM 1076 C GLY A 256 -16.511 4.701 -2.614 1.00 0.00 C ATOM 1077 O GLY A 256 -16.233 5.728 -1.993 1.00 0.00 O ATOM 0 H GLY A 256 -14.744 2.005 -3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -14.513 4.542 -3.369 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -15.729 3.821 -4.404 1.00 0.00 H new ATOM 1081 N GLU A 257 -17.740 4.187 -2.650 1.00 0.00 N ATOM 1082 CA GLU A 257 -18.897 4.724 -1.982 1.00 0.00 C ATOM 1083 C GLU A 257 -19.416 3.702 -0.986 1.00 0.00 C ATOM 1084 O GLU A 257 -19.555 2.524 -1.319 1.00 0.00 O ATOM 1085 CB GLU A 257 -19.969 5.081 -3.025 1.00 0.00 C ATOM 1086 CG GLU A 257 -20.218 4.101 -4.179 1.00 0.00 C ATOM 1087 CD GLU A 257 -20.921 4.777 -5.358 1.00 0.00 C ATOM 1088 OE1 GLU A 257 -20.222 5.410 -6.190 1.00 0.00 O ATOM 1089 OE2 GLU A 257 -22.170 4.696 -5.445 1.00 0.00 O ATOM 0 H GLU A 257 -17.953 3.340 -3.177 1.00 0.00 H new ATOM 0 HA GLU A 257 -18.634 5.632 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -20.913 5.219 -2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -19.702 6.045 -3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -19.268 3.684 -4.513 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -20.824 3.268 -3.824 1.00 0.00 H new ATOM 1096 N TRP A 258 -19.722 4.164 0.225 1.00 0.00 N ATOM 1097 CA TRP A 258 -20.365 3.350 1.237 1.00 0.00 C ATOM 1098 C TRP A 258 -21.767 2.960 0.806 1.00 0.00 C ATOM 1099 O TRP A 258 -22.472 3.741 0.153 1.00 0.00 O ATOM 1100 CB TRP A 258 -20.377 4.090 2.573 1.00 0.00 C ATOM 1101 CG TRP A 258 -21.200 3.427 3.630 1.00 0.00 C ATOM 1102 CD1 TRP A 258 -20.768 2.503 4.512 1.00 0.00 C ATOM 1103 CD2 TRP A 258 -22.643 3.494 3.811 1.00 0.00 C ATOM 1104 NE1 TRP A 258 -21.827 2.062 5.270 1.00 0.00 N ATOM 1105 CE2 TRP A 258 -23.022 2.583 4.835 1.00 0.00 C ATOM 1106 CE3 TRP A 258 -23.676 4.143 3.113 1.00 0.00 C ATOM 1107 CZ2 TRP A 258 -24.361 2.345 5.170 1.00 0.00 C ATOM 1108 CZ3 TRP A 258 -25.021 3.879 3.403 1.00 0.00 C ATOM 1109 CH2 TRP A 258 -25.368 3.008 4.449 1.00 0.00 C ATOM 0 H TRP A 258 -19.527 5.119 0.526 1.00 0.00 H new ATOM 0 HA TRP A 258 -19.796 2.429 1.362 1.00 0.00 H new ATOM 0 HB2 TRP A 258 -19.352 4.186 2.932 1.00 0.00 H new ATOM 0 HB3 TRP A 258 -20.755 5.100 2.413 1.00 0.00 H new ATOM 0 HD1 TRP A 258 -19.748 2.162 4.608 1.00 0.00 H new ATOM 0 HE1 TRP A 258 -21.736 1.424 6.061 1.00 0.00 H new ATOM 0 HE3 TRP A 258 -23.429 4.857 2.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 258 -24.615 1.664 5.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 258 -25.797 4.349 2.818 1.00 0.00 H new ATOM 0 HH2 TRP A 258 -26.407 2.848 4.698 1.00 0.00 H new ATOM 1120 N LYS A 259 -22.184 1.756 1.214 1.00 0.00 N ATOM 1121 CA LYS A 259 -23.518 1.226 0.989 1.00 0.00 C ATOM 1122 C LYS A 259 -23.892 0.341 2.188 1.00 0.00 C ATOM 1123 O LYS A 259 -22.996 -0.216 2.826 1.00 0.00 O ATOM 1124 CB LYS A 259 -23.563 0.433 -0.339 1.00 0.00 C ATOM 1125 CG LYS A 259 -22.679 1.005 -1.466 1.00 0.00 C ATOM 1126 CD LYS A 259 -22.866 0.318 -2.823 1.00 0.00 C ATOM 1127 CE LYS A 259 -23.962 0.965 -3.679 1.00 0.00 C ATOM 1128 NZ LYS A 259 -23.561 2.302 -4.164 1.00 0.00 N ATOM 0 H LYS A 259 -21.580 1.111 1.724 1.00 0.00 H new ATOM 0 HA LYS A 259 -24.241 2.037 0.903 1.00 0.00 H new ATOM 0 HB2 LYS A 259 -23.257 -0.594 -0.143 1.00 0.00 H new ATOM 0 HB3 LYS A 259 -24.595 0.397 -0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 259 -22.894 2.068 -1.577 1.00 0.00 H new ATOM 0 HG3 LYS A 259 -21.633 0.921 -1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 259 -21.923 0.344 -3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 259 -23.112 -0.732 -2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 259 -24.186 0.322 -4.530 1.00 0.00 H new ATOM 0 HE3 LYS A 259 -24.878 1.050 -3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 259 -24.208 2.606 -4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 259 -23.601 2.983 -3.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 259 -22.591 2.260 -4.536 1.00 0.00 H new ATOM 1142 N PRO A 260 -25.189 0.142 2.478 1.00 0.00 N ATOM 1143 CA PRO A 260 -25.650 -0.710 3.575 1.00 0.00 C ATOM 1144 C PRO A 260 -25.634 -2.195 3.166 1.00 0.00 C ATOM 1145 O PRO A 260 -26.654 -2.881 3.275 1.00 0.00 O ATOM 1146 CB PRO A 260 -27.060 -0.187 3.896 1.00 0.00 C ATOM 1147 CG PRO A 260 -27.578 0.258 2.531 1.00 0.00 C ATOM 1148 CD PRO A 260 -26.324 0.809 1.850 1.00 0.00 C ATOM 0 HA PRO A 260 -25.006 -0.665 4.453 1.00 0.00 H new ATOM 0 HB2 PRO A 260 -27.689 -0.963 4.333 1.00 0.00 H new ATOM 0 HB3 PRO A 260 -27.032 0.639 4.607 1.00 0.00 H new ATOM 0 HG2 PRO A 260 -28.009 -0.573 1.972 1.00 0.00 H new ATOM 0 HG3 PRO A 260 -28.355 1.017 2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 260 -26.346 0.612 0.778 1.00 0.00 H new ATOM 0 HD3 PRO A 260 -26.257 1.890 1.975 1.00 0.00 H new ATOM 1156 N ARG A 261 -24.542 -2.702 2.578 1.00 0.00 N ATOM 1157 CA ARG A 261 -24.435 -4.080 2.135 1.00 0.00 C ATOM 1158 C ARG A 261 -22.970 -4.400 1.939 1.00 0.00 C ATOM 1159 O ARG A 261 -22.407 -5.118 2.782 1.00 0.00 O ATOM 1160 CB ARG A 261 -25.258 -4.255 0.855 1.00 0.00 C ATOM 1161 CG ARG A 261 -25.479 -5.722 0.501 1.00 0.00 C ATOM 1162 CD ARG A 261 -26.697 -5.752 -0.427 1.00 0.00 C ATOM 1163 NE ARG A 261 -26.862 -7.004 -1.169 1.00 0.00 N ATOM 1164 CZ ARG A 261 -27.837 -7.165 -2.064 1.00 0.00 C ATOM 1165 NH1 ARG A 261 -28.999 -6.543 -1.896 1.00 0.00 N ATOM 1166 NH2 ARG A 261 -27.648 -7.954 -3.118 1.00 0.00 N ATOM 0 H ARG A 261 -23.702 -2.151 2.399 1.00 0.00 H new ATOM 0 HA ARG A 261 -24.835 -4.776 2.872 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -26.224 -3.764 0.977 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -24.750 -3.757 0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -24.602 -6.141 0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -25.656 -6.317 1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -27.594 -5.574 0.166 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -26.617 -4.930 -1.138 1.00 0.00 H new ATOM 0 HE ARG A 261 -26.214 -7.773 -0.997 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -29.144 -5.944 -1.083 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -29.746 -6.665 -2.580 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -26.757 -8.436 -3.241 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -28.394 -8.077 -3.803 1.00 0.00 H new