USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=5 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+ 161:sc= 1.14 (180deg=0.828) USER MOD Single : A 214 SER OG : rot 180:sc= 0 USER MOD Single : A 215 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 221 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 MET CE :methyl 171:sc= 0 (180deg=-0.24) USER MOD Single : A 250 GLN : amide:sc= 0.851 K(o=0.85,f=-0.011) USER MOD Single : A 251 ASN : amide:sc= -2.68! C(o=-2.7!,f=-5!) USER MOD Single : A 254 TYR OH : rot 180:sc= 0 USER MOD Single : A 255 LYS NZ :NH3+ -169:sc= 0.601 (180deg=0.491) USER MOD Single : A 259 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 123 N ASP A 195 -19.152 22.533 11.675 1.00 0.00 N ATOM 124 CA ASP A 195 -20.452 22.520 11.005 1.00 0.00 C ATOM 125 C ASP A 195 -20.692 21.250 10.177 1.00 0.00 C ATOM 126 O ASP A 195 -21.570 20.462 10.541 1.00 0.00 O ATOM 127 CB ASP A 195 -20.670 23.848 10.265 1.00 0.00 C ATOM 128 CG ASP A 195 -21.482 23.721 8.986 1.00 0.00 C ATOM 129 OD1 ASP A 195 -22.679 23.369 9.035 1.00 0.00 O ATOM 130 OD2 ASP A 195 -20.935 24.019 7.908 1.00 0.00 O ATOM 0 HA ASP A 195 -21.240 22.458 11.756 1.00 0.00 H new ATOM 0 HB2 ASP A 195 -21.173 24.546 10.934 1.00 0.00 H new ATOM 0 HB3 ASP A 195 -19.699 24.281 10.025 1.00 0.00 H new ATOM 135 N ALA A 196 -19.894 20.986 9.146 1.00 0.00 N ATOM 136 CA ALA A 196 -19.859 19.711 8.431 1.00 0.00 C ATOM 137 C ALA A 196 -18.467 19.349 7.897 1.00 0.00 C ATOM 138 O ALA A 196 -18.344 18.422 7.102 1.00 0.00 O ATOM 139 CB ALA A 196 -20.895 19.739 7.302 1.00 0.00 C ATOM 0 H ALA A 196 -19.236 21.671 8.774 1.00 0.00 H new ATOM 0 HA ALA A 196 -20.108 18.926 9.145 1.00 0.00 H new ATOM 0 HB1 ALA A 196 -20.874 18.791 6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 196 -21.888 19.895 7.723 1.00 0.00 H new ATOM 0 HB3 ALA A 196 -20.661 20.551 6.614 1.00 0.00 H new ATOM 145 N ALA A 197 -17.435 20.087 8.293 1.00 0.00 N ATOM 146 CA ALA A 197 -16.083 20.019 7.758 1.00 0.00 C ATOM 147 C ALA A 197 -15.166 19.163 8.649 1.00 0.00 C ATOM 148 O ALA A 197 -15.627 18.510 9.582 1.00 0.00 O ATOM 149 CB ALA A 197 -15.574 21.458 7.606 1.00 0.00 C ATOM 0 H ALA A 197 -17.525 20.783 9.033 1.00 0.00 H new ATOM 0 HA ALA A 197 -16.082 19.527 6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -14.560 21.445 7.206 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -16.226 22.004 6.924 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -15.574 21.949 8.579 1.00 0.00 H new ATOM 155 N LYS A 198 -13.855 19.219 8.378 1.00 0.00 N ATOM 156 CA LYS A 198 -12.754 18.512 9.037 1.00 0.00 C ATOM 157 C LYS A 198 -13.008 17.007 9.277 1.00 0.00 C ATOM 158 O LYS A 198 -12.922 16.543 10.422 1.00 0.00 O ATOM 159 CB LYS A 198 -12.234 19.324 10.242 1.00 0.00 C ATOM 160 CG LYS A 198 -13.044 19.272 11.549 1.00 0.00 C ATOM 161 CD LYS A 198 -12.604 20.301 12.603 1.00 0.00 C ATOM 162 CE LYS A 198 -11.314 19.821 13.255 1.00 0.00 C ATOM 163 NZ LYS A 198 -10.957 20.526 14.498 1.00 0.00 N ATOM 0 H LYS A 198 -13.510 19.814 7.625 1.00 0.00 H new ATOM 0 HA LYS A 198 -11.920 18.462 8.337 1.00 0.00 H new ATOM 0 HB2 LYS A 198 -11.222 18.985 10.462 1.00 0.00 H new ATOM 0 HB3 LYS A 198 -12.161 20.367 9.935 1.00 0.00 H new ATOM 0 HG2 LYS A 198 -14.097 19.433 11.318 1.00 0.00 H new ATOM 0 HG3 LYS A 198 -12.960 18.273 11.976 1.00 0.00 H new ATOM 0 HD2 LYS A 198 -12.451 21.275 12.138 1.00 0.00 H new ATOM 0 HD3 LYS A 198 -13.383 20.426 13.356 1.00 0.00 H new ATOM 0 HE2 LYS A 198 -11.405 18.756 13.470 1.00 0.00 H new ATOM 0 HE3 LYS A 198 -10.498 19.934 12.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 198 -10.278 19.954 15.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 198 -10.528 21.444 14.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 198 -11.813 20.678 15.069 1.00 0.00 H new ATOM 177 N PRO A 199 -13.233 16.207 8.215 1.00 0.00 N ATOM 178 CA PRO A 199 -13.544 14.778 8.297 1.00 0.00 C ATOM 179 C PRO A 199 -12.299 13.931 8.610 1.00 0.00 C ATOM 180 O PRO A 199 -11.945 13.008 7.880 1.00 0.00 O ATOM 181 CB PRO A 199 -14.160 14.455 6.937 1.00 0.00 C ATOM 182 CG PRO A 199 -13.318 15.313 5.998 1.00 0.00 C ATOM 183 CD PRO A 199 -13.160 16.598 6.810 1.00 0.00 C ATOM 0 HA PRO A 199 -14.225 14.543 9.115 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -14.087 13.394 6.697 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -15.217 14.719 6.894 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -12.357 14.851 5.772 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -13.818 15.489 5.046 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -12.209 17.082 6.590 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -13.946 17.312 6.564 1.00 0.00 H new ATOM 191 N GLU A 200 -11.606 14.271 9.688 1.00 0.00 N ATOM 192 CA GLU A 200 -10.366 13.659 10.145 1.00 0.00 C ATOM 193 C GLU A 200 -10.085 13.944 11.622 1.00 0.00 C ATOM 194 O GLU A 200 -9.229 13.316 12.236 1.00 0.00 O ATOM 195 CB GLU A 200 -9.214 14.196 9.300 1.00 0.00 C ATOM 196 CG GLU A 200 -8.956 15.706 9.384 1.00 0.00 C ATOM 197 CD GLU A 200 -7.752 16.091 8.521 1.00 0.00 C ATOM 198 OE1 GLU A 200 -6.736 15.359 8.527 1.00 0.00 O ATOM 199 OE2 GLU A 200 -7.757 17.186 7.916 1.00 0.00 O ATOM 0 H GLU A 200 -11.912 15.025 10.303 1.00 0.00 H new ATOM 0 HA GLU A 200 -10.464 12.579 10.035 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -8.302 13.676 9.595 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -9.405 13.939 8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -9.839 16.251 9.051 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -8.776 15.993 10.420 1.00 0.00 H new ATOM 206 N ASP A 201 -10.770 14.934 12.190 1.00 0.00 N ATOM 207 CA ASP A 201 -10.641 15.333 13.594 1.00 0.00 C ATOM 208 C ASP A 201 -12.001 15.560 14.230 1.00 0.00 C ATOM 209 O ASP A 201 -12.146 15.386 15.439 1.00 0.00 O ATOM 210 CB ASP A 201 -9.836 16.623 13.682 1.00 0.00 C ATOM 211 CG ASP A 201 -9.594 17.198 15.093 1.00 0.00 C ATOM 212 OD1 ASP A 201 -9.673 16.502 16.129 1.00 0.00 O ATOM 213 OD2 ASP A 201 -9.318 18.421 15.161 1.00 0.00 O ATOM 0 H ASP A 201 -11.448 15.497 11.676 1.00 0.00 H new ATOM 0 HA ASP A 201 -10.136 14.529 14.129 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -8.866 16.451 13.215 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -10.345 17.382 13.089 1.00 0.00 H new ATOM 218 N TRP A 202 -13.022 15.966 13.464 1.00 0.00 N ATOM 219 CA TRP A 202 -14.335 16.123 14.069 1.00 0.00 C ATOM 220 C TRP A 202 -14.797 14.788 14.672 1.00 0.00 C ATOM 221 O TRP A 202 -15.392 14.815 15.748 1.00 0.00 O ATOM 222 CB TRP A 202 -15.369 16.748 13.117 1.00 0.00 C ATOM 223 CG TRP A 202 -15.949 15.884 12.043 1.00 0.00 C ATOM 224 CD1 TRP A 202 -15.329 14.863 11.411 1.00 0.00 C ATOM 225 CD2 TRP A 202 -17.274 15.968 11.435 1.00 0.00 C ATOM 226 NE1 TRP A 202 -16.228 14.207 10.607 1.00 0.00 N ATOM 227 CE2 TRP A 202 -17.430 14.864 10.553 1.00 0.00 C ATOM 228 CE3 TRP A 202 -18.356 16.869 11.516 1.00 0.00 C ATOM 229 CZ2 TRP A 202 -18.607 14.629 9.842 1.00 0.00 C ATOM 230 CZ3 TRP A 202 -19.528 16.667 10.764 1.00 0.00 C ATOM 231 CH2 TRP A 202 -19.659 15.548 9.928 1.00 0.00 C ATOM 0 H TRP A 202 -12.964 16.182 12.469 1.00 0.00 H new ATOM 0 HA TRP A 202 -14.246 16.845 14.881 1.00 0.00 H new ATOM 0 HB2 TRP A 202 -16.193 17.127 13.722 1.00 0.00 H new ATOM 0 HB3 TRP A 202 -14.903 17.609 12.637 1.00 0.00 H new ATOM 0 HD1 TRP A 202 -14.287 14.603 11.521 1.00 0.00 H new ATOM 0 HE1 TRP A 202 -16.027 13.339 10.111 1.00 0.00 H new ATOM 0 HE3 TRP A 202 -18.284 17.728 12.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 202 -18.706 13.745 9.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 202 -20.335 17.381 10.831 1.00 0.00 H new ATOM 0 HH2 TRP A 202 -20.563 15.397 9.356 1.00 0.00 H new ATOM 242 N ASP A 203 -14.446 13.652 14.051 1.00 0.00 N ATOM 243 CA ASP A 203 -14.788 12.286 14.427 1.00 0.00 C ATOM 244 C ASP A 203 -16.278 12.220 14.732 1.00 0.00 C ATOM 245 O ASP A 203 -16.709 12.199 15.887 1.00 0.00 O ATOM 246 CB ASP A 203 -13.831 11.777 15.509 1.00 0.00 C ATOM 247 CG ASP A 203 -14.136 10.328 15.891 1.00 0.00 C ATOM 248 OD1 ASP A 203 -14.051 9.447 15.005 1.00 0.00 O ATOM 249 OD2 ASP A 203 -14.401 10.072 17.091 1.00 0.00 O ATOM 0 H ASP A 203 -13.871 13.674 13.209 1.00 0.00 H new ATOM 0 HA ASP A 203 -14.638 11.580 13.611 1.00 0.00 H new ATOM 0 HB2 ASP A 203 -12.804 11.852 15.152 1.00 0.00 H new ATOM 0 HB3 ASP A 203 -13.908 12.411 16.392 1.00 0.00 H new ATOM 254 N GLU A 204 -17.053 12.404 13.655 1.00 0.00 N ATOM 255 CA GLU A 204 -18.507 12.560 13.586 1.00 0.00 C ATOM 256 C GLU A 204 -19.094 13.596 14.550 1.00 0.00 C ATOM 257 O GLU A 204 -20.310 13.714 14.729 1.00 0.00 O ATOM 258 CB GLU A 204 -19.161 11.171 13.516 1.00 0.00 C ATOM 259 CG GLU A 204 -19.895 10.961 12.175 1.00 0.00 C ATOM 260 CD GLU A 204 -19.031 10.946 10.899 1.00 0.00 C ATOM 261 OE1 GLU A 204 -17.875 11.431 10.895 1.00 0.00 O ATOM 262 OE2 GLU A 204 -19.565 10.555 9.836 1.00 0.00 O ATOM 0 H GLU A 204 -16.636 12.451 12.725 1.00 0.00 H new ATOM 0 HA GLU A 204 -18.780 13.054 12.653 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -18.399 10.402 13.640 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -19.866 11.057 14.340 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -20.436 10.016 12.229 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -20.641 11.749 12.070 1.00 0.00 H new ATOM 269 N ARG A 205 -18.206 14.481 15.013 1.00 0.00 N ATOM 270 CA ARG A 205 -18.410 15.593 15.915 1.00 0.00 C ATOM 271 C ARG A 205 -18.853 15.096 17.289 1.00 0.00 C ATOM 272 O ARG A 205 -19.570 15.804 18.002 1.00 0.00 O ATOM 273 CB ARG A 205 -19.269 16.641 15.199 1.00 0.00 C ATOM 274 CG ARG A 205 -18.723 18.064 15.371 1.00 0.00 C ATOM 275 CD ARG A 205 -19.214 18.780 16.621 1.00 0.00 C ATOM 276 NE ARG A 205 -20.681 18.921 16.651 1.00 0.00 N ATOM 277 CZ ARG A 205 -21.429 19.822 15.998 1.00 0.00 C ATOM 278 NH1 ARG A 205 -20.902 20.695 15.148 1.00 0.00 N ATOM 279 NH2 ARG A 205 -22.731 19.847 16.221 1.00 0.00 N ATOM 0 H ARG A 205 -17.228 14.420 14.729 1.00 0.00 H new ATOM 0 HA ARG A 205 -17.491 16.125 16.162 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -19.320 16.401 14.137 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -20.287 16.597 15.585 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -17.634 18.022 15.396 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -18.999 18.654 14.497 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -18.887 18.230 17.503 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -18.756 19.768 16.674 1.00 0.00 H new ATOM 0 HE ARG A 205 -21.186 18.256 17.237 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -19.897 20.694 14.974 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -21.502 21.366 14.669 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -23.148 19.189 16.879 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -23.319 20.524 15.735 1.00 0.00 H new ATOM 293 N ALA A 206 -18.311 13.942 17.693 1.00 0.00 N ATOM 294 CA ALA A 206 -18.729 13.056 18.772 1.00 0.00 C ATOM 295 C ALA A 206 -19.943 12.265 18.299 1.00 0.00 C ATOM 296 O ALA A 206 -19.993 11.830 17.152 1.00 0.00 O ATOM 297 CB ALA A 206 -18.861 13.771 20.129 1.00 0.00 C ATOM 0 H ALA A 206 -17.485 13.573 17.221 1.00 0.00 H new ATOM 0 HA ALA A 206 -17.947 12.330 18.994 1.00 0.00 H new ATOM 0 HB1 ALA A 206 -19.175 13.055 20.888 1.00 0.00 H new ATOM 0 HB2 ALA A 206 -17.899 14.199 20.410 1.00 0.00 H new ATOM 0 HB3 ALA A 206 -19.603 14.566 20.051 1.00 0.00 H new ATOM 408 N SER A 214 -24.261 2.247 9.123 1.00 0.00 N ATOM 409 CA SER A 214 -23.797 3.399 8.359 1.00 0.00 C ATOM 410 C SER A 214 -22.256 3.460 8.333 1.00 0.00 C ATOM 411 O SER A 214 -21.661 4.359 8.927 1.00 0.00 O ATOM 412 CB SER A 214 -24.395 4.643 9.026 1.00 0.00 C ATOM 413 OG SER A 214 -25.754 4.832 8.654 1.00 0.00 O ATOM 0 HA SER A 214 -24.118 3.332 7.319 1.00 0.00 H new ATOM 0 HB2 SER A 214 -24.323 4.546 10.109 1.00 0.00 H new ATOM 0 HB3 SER A 214 -23.814 5.522 8.746 1.00 0.00 H new ATOM 0 HG SER A 214 -26.106 5.632 9.097 1.00 0.00 H new ATOM 419 N LYS A 215 -21.616 2.530 7.609 1.00 0.00 N ATOM 420 CA LYS A 215 -20.156 2.403 7.479 1.00 0.00 C ATOM 421 C LYS A 215 -19.483 2.024 8.824 1.00 0.00 C ATOM 422 O LYS A 215 -19.156 2.895 9.628 1.00 0.00 O ATOM 423 CB LYS A 215 -19.549 3.596 6.694 1.00 0.00 C ATOM 424 CG LYS A 215 -18.289 4.276 7.241 1.00 0.00 C ATOM 425 CD LYS A 215 -17.796 5.418 6.337 1.00 0.00 C ATOM 426 CE LYS A 215 -16.693 4.979 5.354 1.00 0.00 C ATOM 427 NZ LYS A 215 -15.591 5.971 5.317 1.00 0.00 N ATOM 0 H LYS A 215 -22.119 1.819 7.078 1.00 0.00 H new ATOM 0 HA LYS A 215 -19.921 1.546 6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -19.325 3.248 5.686 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -20.322 4.359 6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -18.495 4.668 8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -17.497 3.534 7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -18.639 5.816 5.773 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -17.418 6.229 6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -16.302 4.006 5.651 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -17.115 4.861 4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -14.860 5.654 4.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -15.964 6.893 5.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -15.175 6.063 6.266 1.00 0.00 H new ATOM 441 N PRO A 216 -19.258 0.720 9.087 1.00 0.00 N ATOM 442 CA PRO A 216 -18.488 0.276 10.240 1.00 0.00 C ATOM 443 C PRO A 216 -17.008 0.628 10.045 1.00 0.00 C ATOM 444 O PRO A 216 -16.573 0.910 8.919 1.00 0.00 O ATOM 445 CB PRO A 216 -18.695 -1.239 10.295 1.00 0.00 C ATOM 446 CG PRO A 216 -18.914 -1.626 8.837 1.00 0.00 C ATOM 447 CD PRO A 216 -19.631 -0.411 8.255 1.00 0.00 C ATOM 0 HA PRO A 216 -18.804 0.754 11.167 1.00 0.00 H new ATOM 0 HB2 PRO A 216 -17.828 -1.747 10.718 1.00 0.00 H new ATOM 0 HB3 PRO A 216 -19.553 -1.504 10.913 1.00 0.00 H new ATOM 0 HG2 PRO A 216 -17.971 -1.819 8.326 1.00 0.00 H new ATOM 0 HG3 PRO A 216 -19.516 -2.530 8.747 1.00 0.00 H new ATOM 0 HD2 PRO A 216 -19.336 -0.245 7.219 1.00 0.00 H new ATOM 0 HD3 PRO A 216 -20.711 -0.558 8.260 1.00 0.00 H new ATOM 455 N GLU A 217 -16.216 0.497 11.116 1.00 0.00 N ATOM 456 CA GLU A 217 -14.756 0.679 11.159 1.00 0.00 C ATOM 457 C GLU A 217 -14.004 -0.462 10.439 1.00 0.00 C ATOM 458 O GLU A 217 -12.900 -0.865 10.822 1.00 0.00 O ATOM 459 CB GLU A 217 -14.276 0.841 12.620 1.00 0.00 C ATOM 460 CG GLU A 217 -13.024 1.738 12.690 1.00 0.00 C ATOM 461 CD GLU A 217 -12.291 1.707 14.034 1.00 0.00 C ATOM 462 OE1 GLU A 217 -12.873 1.366 15.084 1.00 0.00 O ATOM 463 OE2 GLU A 217 -11.087 2.054 14.052 1.00 0.00 O ATOM 0 H GLU A 217 -16.596 0.247 12.029 1.00 0.00 H new ATOM 0 HA GLU A 217 -14.521 1.594 10.616 1.00 0.00 H new ATOM 0 HB2 GLU A 217 -15.074 1.275 13.223 1.00 0.00 H new ATOM 0 HB3 GLU A 217 -14.052 -0.138 13.044 1.00 0.00 H new ATOM 0 HG2 GLU A 217 -12.331 1.433 11.906 1.00 0.00 H new ATOM 0 HG3 GLU A 217 -13.317 2.766 12.475 1.00 0.00 H new ATOM 470 N ASP A 218 -14.631 -1.047 9.417 1.00 0.00 N ATOM 471 CA ASP A 218 -14.023 -2.022 8.521 1.00 0.00 C ATOM 472 C ASP A 218 -14.225 -1.623 7.059 1.00 0.00 C ATOM 473 O ASP A 218 -13.493 -2.113 6.197 1.00 0.00 O ATOM 474 CB ASP A 218 -14.602 -3.428 8.753 1.00 0.00 C ATOM 475 CG ASP A 218 -14.102 -4.107 10.024 1.00 0.00 C ATOM 476 OD1 ASP A 218 -12.880 -4.104 10.299 1.00 0.00 O ATOM 477 OD2 ASP A 218 -14.920 -4.766 10.704 1.00 0.00 O ATOM 0 H ASP A 218 -15.604 -0.847 9.186 1.00 0.00 H new ATOM 0 HA ASP A 218 -12.956 -2.040 8.741 1.00 0.00 H new ATOM 0 HB2 ASP A 218 -15.689 -3.359 8.795 1.00 0.00 H new ATOM 0 HB3 ASP A 218 -14.355 -4.056 7.897 1.00 0.00 H new ATOM 482 N TRP A 219 -15.211 -0.773 6.741 1.00 0.00 N ATOM 483 CA TRP A 219 -15.485 -0.333 5.366 1.00 0.00 C ATOM 484 C TRP A 219 -14.502 0.761 4.938 1.00 0.00 C ATOM 485 O TRP A 219 -14.106 0.879 3.773 1.00 0.00 O ATOM 486 CB TRP A 219 -16.916 0.223 5.295 1.00 0.00 C ATOM 487 CG TRP A 219 -17.323 0.756 3.951 1.00 0.00 C ATOM 488 CD1 TRP A 219 -16.946 1.944 3.417 1.00 0.00 C ATOM 489 CD2 TRP A 219 -18.142 0.106 2.934 1.00 0.00 C ATOM 490 NE1 TRP A 219 -17.462 2.063 2.146 1.00 0.00 N ATOM 491 CE2 TRP A 219 -18.237 0.982 1.820 1.00 0.00 C ATOM 492 CE3 TRP A 219 -18.798 -1.137 2.824 1.00 0.00 C ATOM 493 CZ2 TRP A 219 -18.969 0.675 0.679 1.00 0.00 C ATOM 494 CZ3 TRP A 219 -19.534 -1.469 1.669 1.00 0.00 C ATOM 495 CH2 TRP A 219 -19.625 -0.560 0.600 1.00 0.00 C ATOM 0 H TRP A 219 -15.843 -0.370 7.433 1.00 0.00 H new ATOM 0 HA TRP A 219 -15.372 -1.185 4.696 1.00 0.00 H new ATOM 0 HB2 TRP A 219 -17.611 -0.566 5.582 1.00 0.00 H new ATOM 0 HB3 TRP A 219 -17.017 1.020 6.031 1.00 0.00 H new ATOM 0 HD1 TRP A 219 -16.335 2.684 3.913 1.00 0.00 H new ATOM 0 HE1 TRP A 219 -17.289 2.855 1.527 1.00 0.00 H new ATOM 0 HE3 TRP A 219 -18.736 -1.845 3.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 219 -19.031 1.380 -0.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 219 -20.030 -2.426 1.605 1.00 0.00 H new ATOM 0 HH2 TRP A 219 -20.199 -0.813 -0.279 1.00 0.00 H new ATOM 506 N ASP A 220 -14.160 1.616 5.894 1.00 0.00 N ATOM 507 CA ASP A 220 -13.282 2.775 5.850 1.00 0.00 C ATOM 508 C ASP A 220 -11.824 2.345 5.681 1.00 0.00 C ATOM 509 O ASP A 220 -10.936 2.714 6.451 1.00 0.00 O ATOM 510 CB ASP A 220 -13.509 3.638 7.111 1.00 0.00 C ATOM 511 CG ASP A 220 -13.360 2.920 8.464 1.00 0.00 C ATOM 512 OD1 ASP A 220 -13.263 1.675 8.478 1.00 0.00 O ATOM 513 OD2 ASP A 220 -13.503 3.614 9.501 1.00 0.00 O ATOM 0 H ASP A 220 -14.540 1.496 6.833 1.00 0.00 H new ATOM 0 HA ASP A 220 -13.521 3.388 4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 220 -12.807 4.471 7.087 1.00 0.00 H new ATOM 0 HB3 ASP A 220 -14.511 4.064 7.058 1.00 0.00 H new ATOM 518 N LYS A 221 -11.552 1.552 4.636 1.00 0.00 N ATOM 519 CA LYS A 221 -10.196 1.141 4.320 1.00 0.00 C ATOM 520 C LYS A 221 -9.395 2.401 3.984 1.00 0.00 C ATOM 521 O LYS A 221 -9.896 3.223 3.209 1.00 0.00 O ATOM 522 CB LYS A 221 -10.150 0.145 3.162 1.00 0.00 C ATOM 523 CG LYS A 221 -10.763 -1.219 3.498 1.00 0.00 C ATOM 524 CD LYS A 221 -9.910 -2.085 4.435 1.00 0.00 C ATOM 525 CE LYS A 221 -10.690 -3.360 4.775 1.00 0.00 C ATOM 526 NZ LYS A 221 -9.933 -4.289 5.639 1.00 0.00 N ATOM 0 H LYS A 221 -12.261 1.187 4.000 1.00 0.00 H new ATOM 0 HA LYS A 221 -9.766 0.627 5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -10.677 0.570 2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -9.113 0.002 2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -11.739 -1.062 3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -10.931 -1.766 2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -8.963 -2.338 3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -9.671 -1.534 5.345 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -11.621 -3.088 5.272 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -10.960 -3.871 3.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -10.511 -5.131 5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -9.057 -4.575 5.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -9.697 -3.816 6.535 1.00 0.00 H new ATOM 540 N PRO A 222 -8.185 2.550 4.550 1.00 0.00 N ATOM 541 CA PRO A 222 -7.409 3.778 4.455 1.00 0.00 C ATOM 542 C PRO A 222 -7.085 4.106 2.998 1.00 0.00 C ATOM 543 O PRO A 222 -6.955 3.201 2.165 1.00 0.00 O ATOM 544 CB PRO A 222 -6.174 3.586 5.346 1.00 0.00 C ATOM 545 CG PRO A 222 -6.148 2.102 5.724 1.00 0.00 C ATOM 546 CD PRO A 222 -7.533 1.560 5.388 1.00 0.00 C ATOM 0 HA PRO A 222 -7.966 4.646 4.809 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -5.264 3.869 4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -6.234 4.213 6.235 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -5.375 1.571 5.168 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -5.924 1.973 6.783 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -7.458 0.605 4.869 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -8.109 1.384 6.296 1.00 0.00 H new ATOM 554 N GLU A 223 -7.033 5.403 2.679 1.00 0.00 N ATOM 555 CA GLU A 223 -7.006 5.858 1.294 1.00 0.00 C ATOM 556 C GLU A 223 -5.619 5.628 0.707 1.00 0.00 C ATOM 557 O GLU A 223 -5.495 4.885 -0.265 1.00 0.00 O ATOM 558 CB GLU A 223 -7.464 7.317 1.085 1.00 0.00 C ATOM 559 CG GLU A 223 -8.473 7.861 2.100 1.00 0.00 C ATOM 560 CD GLU A 223 -7.751 8.382 3.337 1.00 0.00 C ATOM 561 OE1 GLU A 223 -7.155 9.483 3.282 1.00 0.00 O ATOM 562 OE2 GLU A 223 -7.738 7.647 4.353 1.00 0.00 O ATOM 0 H GLU A 223 -7.009 6.155 3.367 1.00 0.00 H new ATOM 0 HA GLU A 223 -7.745 5.259 0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -6.583 7.958 1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -7.901 7.400 0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -9.058 8.662 1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -9.173 7.075 2.383 1.00 0.00 H new ATOM 569 N HIS A 224 -4.590 6.254 1.278 1.00 0.00 N ATOM 570 CA HIS A 224 -3.205 6.005 0.913 1.00 0.00 C ATOM 571 C HIS A 224 -2.659 4.950 1.861 1.00 0.00 C ATOM 572 O HIS A 224 -2.586 5.185 3.070 1.00 0.00 O ATOM 573 CB HIS A 224 -2.356 7.282 0.961 1.00 0.00 C ATOM 574 CG HIS A 224 -2.628 8.219 -0.180 1.00 0.00 C ATOM 575 ND1 HIS A 224 -3.509 9.272 -0.192 1.00 0.00 N ATOM 576 CD2 HIS A 224 -1.983 8.195 -1.382 1.00 0.00 C ATOM 577 CE1 HIS A 224 -3.390 9.883 -1.386 1.00 0.00 C ATOM 578 NE2 HIS A 224 -2.442 9.280 -2.136 1.00 0.00 N ATOM 0 H HIS A 224 -4.701 6.953 2.012 1.00 0.00 H new ATOM 0 HA HIS A 224 -3.159 5.653 -0.118 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -2.545 7.801 1.901 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -1.301 7.009 0.954 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -1.249 7.468 -1.696 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -3.972 10.737 -1.700 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -2.125 9.559 -3.064 1.00 0.00 H new ATOM 586 N ILE A 225 -2.235 3.813 1.318 1.00 0.00 N ATOM 587 CA ILE A 225 -1.549 2.763 2.059 1.00 0.00 C ATOM 588 C ILE A 225 -0.220 2.439 1.367 1.00 0.00 C ATOM 589 O ILE A 225 -0.105 2.672 0.163 1.00 0.00 O ATOM 590 CB ILE A 225 -2.452 1.527 2.181 1.00 0.00 C ATOM 591 CG1 ILE A 225 -2.827 0.920 0.813 1.00 0.00 C ATOM 592 CG2 ILE A 225 -3.724 1.873 2.969 1.00 0.00 C ATOM 593 CD1 ILE A 225 -3.168 -0.570 0.940 1.00 0.00 C ATOM 0 H ILE A 225 -2.362 3.593 0.330 1.00 0.00 H new ATOM 0 HA ILE A 225 -1.328 3.103 3.071 1.00 0.00 H new ATOM 0 HB ILE A 225 -1.879 0.772 2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -3.679 1.456 0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -1.998 1.048 0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -4.355 0.988 3.048 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -3.452 2.215 3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -4.269 2.662 2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -3.428 -0.969 -0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -2.306 -1.108 1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -4.013 -0.693 1.617 1.00 0.00 H new ATOM 605 N PRO A 226 0.799 1.941 2.084 1.00 0.00 N ATOM 606 CA PRO A 226 2.071 1.620 1.461 1.00 0.00 C ATOM 607 C PRO A 226 1.887 0.417 0.530 1.00 0.00 C ATOM 608 O PRO A 226 1.074 -0.473 0.808 1.00 0.00 O ATOM 609 CB PRO A 226 3.047 1.363 2.609 1.00 0.00 C ATOM 610 CG PRO A 226 2.169 1.026 3.814 1.00 0.00 C ATOM 611 CD PRO A 226 0.792 1.606 3.497 1.00 0.00 C ATOM 0 HA PRO A 226 2.462 2.422 0.834 1.00 0.00 H new ATOM 0 HB2 PRO A 226 3.724 0.542 2.374 1.00 0.00 H new ATOM 0 HB3 PRO A 226 3.664 2.240 2.805 1.00 0.00 H new ATOM 0 HG2 PRO A 226 2.114 -0.051 3.969 1.00 0.00 H new ATOM 0 HG3 PRO A 226 2.575 1.459 4.728 1.00 0.00 H new ATOM 0 HD2 PRO A 226 0.007 0.884 3.720 1.00 0.00 H new ATOM 0 HD3 PRO A 226 0.595 2.490 4.104 1.00 0.00 H new ATOM 619 N ASP A 227 2.646 0.367 -0.562 1.00 0.00 N ATOM 620 CA ASP A 227 2.637 -0.721 -1.532 1.00 0.00 C ATOM 621 C ASP A 227 3.087 -2.023 -0.855 1.00 0.00 C ATOM 622 O ASP A 227 4.238 -2.086 -0.408 1.00 0.00 O ATOM 623 CB ASP A 227 3.573 -0.354 -2.691 1.00 0.00 C ATOM 624 CG ASP A 227 3.843 -1.524 -3.634 1.00 0.00 C ATOM 625 OD1 ASP A 227 3.021 -2.467 -3.677 1.00 0.00 O ATOM 626 OD2 ASP A 227 4.898 -1.493 -4.304 1.00 0.00 O ATOM 0 H ASP A 227 3.305 1.108 -0.802 1.00 0.00 H new ATOM 0 HA ASP A 227 1.630 -0.873 -1.921 1.00 0.00 H new ATOM 0 HB2 ASP A 227 3.136 0.468 -3.257 1.00 0.00 H new ATOM 0 HB3 ASP A 227 4.519 0.005 -2.287 1.00 0.00 H new ATOM 631 N PRO A 228 2.219 -3.045 -0.711 1.00 0.00 N ATOM 632 CA PRO A 228 2.576 -4.302 -0.088 1.00 0.00 C ATOM 633 C PRO A 228 3.301 -5.223 -1.068 1.00 0.00 C ATOM 634 O PRO A 228 3.876 -6.216 -0.612 1.00 0.00 O ATOM 635 CB PRO A 228 1.240 -4.923 0.332 1.00 0.00 C ATOM 636 CG PRO A 228 0.328 -4.514 -0.820 1.00 0.00 C ATOM 637 CD PRO A 228 0.814 -3.090 -1.078 1.00 0.00 C ATOM 0 HA PRO A 228 3.255 -4.155 0.752 1.00 0.00 H new ATOM 0 HB2 PRO A 228 1.307 -6.006 0.435 1.00 0.00 H new ATOM 0 HB3 PRO A 228 0.891 -4.533 1.288 1.00 0.00 H new ATOM 0 HG2 PRO A 228 0.450 -5.157 -1.692 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -0.726 -4.547 -0.544 1.00 0.00 H new ATOM 0 HD2 PRO A 228 0.681 -2.822 -2.126 1.00 0.00 H new ATOM 0 HD3 PRO A 228 0.239 -2.374 -0.490 1.00 0.00 H new ATOM 645 N ASP A 229 3.256 -4.948 -2.376 1.00 0.00 N ATOM 646 CA ASP A 229 3.941 -5.754 -3.379 1.00 0.00 C ATOM 647 C ASP A 229 5.428 -5.578 -3.164 1.00 0.00 C ATOM 648 O ASP A 229 6.161 -6.558 -3.014 1.00 0.00 O ATOM 649 CB ASP A 229 3.566 -5.313 -4.798 1.00 0.00 C ATOM 650 CG ASP A 229 3.979 -6.348 -5.836 1.00 0.00 C ATOM 651 OD1 ASP A 229 3.146 -7.254 -6.090 1.00 0.00 O ATOM 652 OD2 ASP A 229 5.064 -6.224 -6.455 1.00 0.00 O ATOM 0 H ASP A 229 2.741 -4.158 -2.764 1.00 0.00 H new ATOM 0 HA ASP A 229 3.648 -6.799 -3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 229 2.490 -5.149 -4.856 1.00 0.00 H new ATOM 0 HB3 ASP A 229 4.046 -4.361 -5.022 1.00 0.00 H new ATOM 657 N ALA A 230 5.857 -4.318 -3.084 1.00 0.00 N ATOM 658 CA ALA A 230 7.213 -3.986 -2.737 1.00 0.00 C ATOM 659 C ALA A 230 7.438 -4.282 -1.261 1.00 0.00 C ATOM 660 O ALA A 230 6.597 -3.978 -0.409 1.00 0.00 O ATOM 661 CB ALA A 230 7.437 -2.521 -3.052 1.00 0.00 C ATOM 0 H ALA A 230 5.263 -3.508 -3.261 1.00 0.00 H new ATOM 0 HA ALA A 230 7.924 -4.581 -3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 230 8.460 -2.246 -2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 230 7.269 -2.348 -4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 230 6.743 -1.914 -2.471 1.00 0.00 H new ATOM 667 N LYS A 231 8.586 -4.873 -0.931 1.00 0.00 N ATOM 668 CA LYS A 231 8.875 -5.269 0.446 1.00 0.00 C ATOM 669 C LYS A 231 10.344 -5.072 0.799 1.00 0.00 C ATOM 670 O LYS A 231 10.864 -5.801 1.637 1.00 0.00 O ATOM 671 CB LYS A 231 8.310 -6.691 0.683 1.00 0.00 C ATOM 672 CG LYS A 231 9.067 -7.846 0.005 1.00 0.00 C ATOM 673 CD LYS A 231 10.067 -8.545 0.942 1.00 0.00 C ATOM 674 CE LYS A 231 9.787 -10.044 1.014 1.00 0.00 C ATOM 675 NZ LYS A 231 10.746 -10.719 1.908 1.00 0.00 N ATOM 0 H LYS A 231 9.329 -5.087 -1.596 1.00 0.00 H new ATOM 0 HA LYS A 231 8.366 -4.613 1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 231 8.292 -6.877 1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 231 7.276 -6.710 0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 231 8.348 -8.579 -0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 231 9.600 -7.462 -0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 231 11.084 -8.377 0.586 1.00 0.00 H new ATOM 0 HD3 LYS A 231 10.002 -8.110 1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 231 8.771 -10.211 1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 231 9.848 -10.477 0.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 10.534 -11.737 1.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 11.712 -10.577 1.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 10.669 -10.320 2.865 1.00 0.00 H new ATOM 689 N LYS A 232 10.970 -4.030 0.245 1.00 0.00 N ATOM 690 CA LYS A 232 12.371 -3.751 0.077 1.00 0.00 C ATOM 691 C LYS A 232 13.004 -4.832 -0.796 1.00 0.00 C ATOM 692 O LYS A 232 12.910 -6.024 -0.477 1.00 0.00 O ATOM 693 CB LYS A 232 13.011 -3.533 1.430 1.00 0.00 C ATOM 694 CG LYS A 232 14.519 -3.305 1.393 1.00 0.00 C ATOM 695 CD LYS A 232 15.045 -3.134 2.824 1.00 0.00 C ATOM 696 CE LYS A 232 15.960 -4.283 3.248 1.00 0.00 C ATOM 697 NZ LYS A 232 15.275 -5.581 3.366 1.00 0.00 N ATOM 0 H LYS A 232 10.415 -3.268 -0.144 1.00 0.00 H new ATOM 0 HA LYS A 232 12.539 -2.819 -0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 232 12.539 -2.673 1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 232 12.804 -4.399 2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 232 15.013 -4.148 0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 232 14.749 -2.419 0.801 1.00 0.00 H new ATOM 0 HD2 LYS A 232 15.590 -2.193 2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 232 14.203 -3.070 3.513 1.00 0.00 H new ATOM 0 HE2 LYS A 232 16.770 -4.375 2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 232 16.416 -4.036 4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 15.958 -6.309 3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 14.520 -5.512 4.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 14.862 -5.840 2.447 1.00 0.00 H new ATOM 711 N PRO A 233 13.642 -4.445 -1.909 1.00 0.00 N ATOM 712 CA PRO A 233 14.340 -5.386 -2.764 1.00 0.00 C ATOM 713 C PRO A 233 15.453 -6.061 -1.963 1.00 0.00 C ATOM 714 O PRO A 233 16.057 -5.453 -1.079 1.00 0.00 O ATOM 715 CB PRO A 233 14.869 -4.572 -3.950 1.00 0.00 C ATOM 716 CG PRO A 233 14.660 -3.102 -3.593 1.00 0.00 C ATOM 717 CD PRO A 233 13.780 -3.074 -2.365 1.00 0.00 C ATOM 0 HA PRO A 233 13.698 -6.186 -3.132 1.00 0.00 H new ATOM 0 HB2 PRO A 233 15.924 -4.783 -4.126 1.00 0.00 H new ATOM 0 HB3 PRO A 233 14.336 -4.829 -4.866 1.00 0.00 H new ATOM 0 HG2 PRO A 233 15.614 -2.612 -3.397 1.00 0.00 H new ATOM 0 HG3 PRO A 233 14.190 -2.566 -4.418 1.00 0.00 H new ATOM 0 HD2 PRO A 233 14.223 -2.452 -1.587 1.00 0.00 H new ATOM 0 HD3 PRO A 233 12.805 -2.646 -2.599 1.00 0.00 H new ATOM 725 N GLU A 234 15.763 -7.325 -2.254 1.00 0.00 N ATOM 726 CA GLU A 234 16.978 -7.959 -1.720 1.00 0.00 C ATOM 727 C GLU A 234 18.229 -7.254 -2.285 1.00 0.00 C ATOM 728 O GLU A 234 19.302 -7.278 -1.688 1.00 0.00 O ATOM 729 CB GLU A 234 16.921 -9.469 -2.024 1.00 0.00 C ATOM 730 CG GLU A 234 18.007 -10.277 -1.295 1.00 0.00 C ATOM 731 CD GLU A 234 17.586 -11.731 -1.025 1.00 0.00 C ATOM 732 OE1 GLU A 234 17.325 -12.507 -1.972 1.00 0.00 O ATOM 733 OE2 GLU A 234 17.447 -12.089 0.172 1.00 0.00 O ATOM 0 H GLU A 234 15.198 -7.929 -2.851 1.00 0.00 H new ATOM 0 HA GLU A 234 17.039 -7.852 -0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 234 15.941 -9.853 -1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 234 17.025 -9.621 -3.098 1.00 0.00 H new ATOM 0 HG2 GLU A 234 18.919 -10.272 -1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 234 18.243 -9.790 -0.349 1.00 0.00 H new ATOM 740 N ASP A 235 18.036 -6.547 -3.399 1.00 0.00 N ATOM 741 CA ASP A 235 18.961 -5.734 -4.181 1.00 0.00 C ATOM 742 C ASP A 235 18.986 -4.267 -3.694 1.00 0.00 C ATOM 743 O ASP A 235 19.470 -3.394 -4.411 1.00 0.00 O ATOM 744 CB ASP A 235 18.457 -5.845 -5.631 1.00 0.00 C ATOM 745 CG ASP A 235 19.475 -5.484 -6.710 1.00 0.00 C ATOM 746 OD1 ASP A 235 20.472 -6.226 -6.810 1.00 0.00 O ATOM 747 OD2 ASP A 235 19.142 -4.600 -7.536 1.00 0.00 O ATOM 0 H ASP A 235 17.109 -6.531 -3.825 1.00 0.00 H new ATOM 0 HA ASP A 235 19.989 -6.082 -4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 235 18.119 -6.867 -5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 235 17.587 -5.198 -5.745 1.00 0.00 H new ATOM 752 N TRP A 236 18.380 -3.952 -2.536 1.00 0.00 N ATOM 753 CA TRP A 236 18.488 -2.639 -1.888 1.00 0.00 C ATOM 754 C TRP A 236 19.783 -2.523 -1.080 1.00 0.00 C ATOM 755 O TRP A 236 20.360 -3.535 -0.669 1.00 0.00 O ATOM 756 CB TRP A 236 17.307 -2.404 -0.927 1.00 0.00 C ATOM 757 CG TRP A 236 17.116 -0.987 -0.467 1.00 0.00 C ATOM 758 CD1 TRP A 236 17.431 -0.483 0.750 1.00 0.00 C ATOM 759 CD2 TRP A 236 16.663 0.151 -1.248 1.00 0.00 C ATOM 760 NE1 TRP A 236 17.202 0.880 0.770 1.00 0.00 N ATOM 761 CE2 TRP A 236 16.696 1.317 -0.431 1.00 0.00 C ATOM 762 CE3 TRP A 236 16.275 0.313 -2.589 1.00 0.00 C ATOM 763 CZ2 TRP A 236 16.311 2.574 -0.914 1.00 0.00 C ATOM 764 CZ3 TRP A 236 15.928 1.575 -3.102 1.00 0.00 C ATOM 765 CH2 TRP A 236 15.929 2.702 -2.258 1.00 0.00 C ATOM 0 H TRP A 236 17.796 -4.611 -2.021 1.00 0.00 H new ATOM 0 HA TRP A 236 18.481 -1.893 -2.683 1.00 0.00 H new ATOM 0 HB2 TRP A 236 16.391 -2.734 -1.418 1.00 0.00 H new ATOM 0 HB3 TRP A 236 17.444 -3.036 -0.050 1.00 0.00 H new ATOM 0 HD1 TRP A 236 17.806 -1.061 1.582 1.00 0.00 H new ATOM 0 HE1 TRP A 236 17.385 1.483 1.572 1.00 0.00 H new ATOM 0 HE3 TRP A 236 16.243 -0.549 -3.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 16.308 3.434 -0.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 15.661 1.680 -4.143 1.00 0.00 H new ATOM 0 HH2 TRP A 236 15.635 3.666 -2.646 1.00 0.00 H new ATOM 776 N ASP A 237 20.167 -1.285 -0.766 1.00 0.00 N ATOM 777 CA ASP A 237 21.240 -0.955 0.156 1.00 0.00 C ATOM 778 C ASP A 237 20.956 0.364 0.857 1.00 0.00 C ATOM 779 O ASP A 237 20.974 1.434 0.246 1.00 0.00 O ATOM 780 CB ASP A 237 22.556 -0.869 -0.616 1.00 0.00 C ATOM 781 CG ASP A 237 23.768 -0.678 0.306 1.00 0.00 C ATOM 782 OD1 ASP A 237 23.578 -0.552 1.542 1.00 0.00 O ATOM 783 OD2 ASP A 237 24.899 -0.687 -0.221 1.00 0.00 O ATOM 0 H ASP A 237 19.720 -0.459 -1.164 1.00 0.00 H new ATOM 0 HA ASP A 237 21.312 -1.734 0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 237 22.689 -1.778 -1.202 1.00 0.00 H new ATOM 0 HB3 ASP A 237 22.506 -0.039 -1.321 1.00 0.00 H new ATOM 788 N GLU A 238 20.679 0.285 2.155 1.00 0.00 N ATOM 789 CA GLU A 238 20.333 1.434 2.965 1.00 0.00 C ATOM 790 C GLU A 238 21.542 2.279 3.351 1.00 0.00 C ATOM 791 O GLU A 238 21.393 3.470 3.642 1.00 0.00 O ATOM 792 CB GLU A 238 19.518 0.972 4.176 1.00 0.00 C ATOM 793 CG GLU A 238 20.229 0.082 5.211 1.00 0.00 C ATOM 794 CD GLU A 238 20.848 0.792 6.429 1.00 0.00 C ATOM 795 OE1 GLU A 238 21.313 1.949 6.330 1.00 0.00 O ATOM 796 OE2 GLU A 238 20.829 0.173 7.520 1.00 0.00 O ATOM 0 H GLU A 238 20.690 -0.593 2.674 1.00 0.00 H new ATOM 0 HA GLU A 238 19.715 2.103 2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 238 19.149 1.859 4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 238 18.646 0.431 3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 238 19.513 -0.654 5.575 1.00 0.00 H new ATOM 0 HG3 GLU A 238 21.020 -0.468 4.700 1.00 0.00 H new ATOM 803 N GLU A 239 22.746 1.713 3.292 1.00 0.00 N ATOM 804 CA GLU A 239 23.970 2.488 3.472 1.00 0.00 C ATOM 805 C GLU A 239 24.249 3.283 2.189 1.00 0.00 C ATOM 806 O GLU A 239 24.908 4.323 2.238 1.00 0.00 O ATOM 807 CB GLU A 239 25.132 1.561 3.866 1.00 0.00 C ATOM 808 CG GLU A 239 24.972 0.993 5.295 1.00 0.00 C ATOM 809 CD GLU A 239 25.854 1.663 6.372 1.00 0.00 C ATOM 810 OE1 GLU A 239 26.354 2.799 6.195 1.00 0.00 O ATOM 811 OE2 GLU A 239 26.059 1.060 7.453 1.00 0.00 O ATOM 0 H GLU A 239 22.899 0.719 3.121 1.00 0.00 H new ATOM 0 HA GLU A 239 23.855 3.202 4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 239 25.194 0.737 3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 239 26.071 2.111 3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 239 23.928 1.089 5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 239 25.200 -0.073 5.273 1.00 0.00 H new ATOM 818 N MET A 240 23.680 2.866 1.052 1.00 0.00 N ATOM 819 CA MET A 240 23.824 3.543 -0.227 1.00 0.00 C ATOM 820 C MET A 240 22.726 4.584 -0.443 1.00 0.00 C ATOM 821 O MET A 240 23.045 5.745 -0.708 1.00 0.00 O ATOM 822 CB MET A 240 23.872 2.502 -1.348 1.00 0.00 C ATOM 823 CG MET A 240 24.283 3.131 -2.687 1.00 0.00 C ATOM 824 SD MET A 240 25.215 2.071 -3.835 1.00 0.00 S ATOM 825 CE MET A 240 24.278 0.522 -3.726 1.00 0.00 C ATOM 0 H MET A 240 23.096 2.031 1.002 1.00 0.00 H new ATOM 0 HA MET A 240 24.762 4.098 -0.234 1.00 0.00 H new ATOM 0 HB2 MET A 240 24.578 1.714 -1.084 1.00 0.00 H new ATOM 0 HB3 MET A 240 22.894 2.032 -1.451 1.00 0.00 H new ATOM 0 HG2 MET A 240 23.380 3.471 -3.195 1.00 0.00 H new ATOM 0 HG3 MET A 240 24.884 4.016 -2.477 1.00 0.00 H new ATOM 0 HE1 MET A 240 24.630 -0.171 -4.490 1.00 0.00 H new ATOM 0 HE2 MET A 240 24.421 0.079 -2.741 1.00 0.00 H new ATOM 0 HE3 MET A 240 23.219 0.726 -3.882 1.00 0.00 H new ATOM 835 N ASP A 241 21.453 4.213 -0.299 1.00 0.00 N ATOM 836 CA ASP A 241 20.309 5.042 -0.720 1.00 0.00 C ATOM 837 C ASP A 241 19.426 5.496 0.447 1.00 0.00 C ATOM 838 O ASP A 241 18.488 6.273 0.257 1.00 0.00 O ATOM 839 CB ASP A 241 19.476 4.293 -1.772 1.00 0.00 C ATOM 840 CG ASP A 241 19.362 5.111 -3.056 1.00 0.00 C ATOM 841 OD1 ASP A 241 20.308 5.040 -3.878 1.00 0.00 O ATOM 842 OD2 ASP A 241 18.357 5.836 -3.234 1.00 0.00 O ATOM 0 H ASP A 241 21.179 3.323 0.116 1.00 0.00 H new ATOM 0 HA ASP A 241 20.722 5.951 -1.158 1.00 0.00 H new ATOM 0 HB2 ASP A 241 19.937 3.330 -1.989 1.00 0.00 H new ATOM 0 HB3 ASP A 241 18.481 4.088 -1.376 1.00 0.00 H new ATOM 847 N GLY A 242 19.744 5.041 1.659 1.00 0.00 N ATOM 848 CA GLY A 242 18.939 5.278 2.857 1.00 0.00 C ATOM 849 C GLY A 242 17.943 4.136 3.081 1.00 0.00 C ATOM 850 O GLY A 242 17.768 3.277 2.213 1.00 0.00 O ATOM 0 H GLY A 242 20.582 4.488 1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 242 19.591 5.373 3.725 1.00 0.00 H new ATOM 0 HA3 GLY A 242 18.401 6.221 2.758 1.00 0.00 H new ATOM 854 N GLU A 243 17.294 4.082 4.250 1.00 0.00 N ATOM 855 CA GLU A 243 16.312 3.046 4.548 1.00 0.00 C ATOM 856 C GLU A 243 15.221 3.044 3.464 1.00 0.00 C ATOM 857 O GLU A 243 14.817 4.087 2.942 1.00 0.00 O ATOM 858 CB GLU A 243 15.739 3.231 5.967 1.00 0.00 C ATOM 859 CG GLU A 243 14.732 2.111 6.287 1.00 0.00 C ATOM 860 CD GLU A 243 14.259 2.010 7.742 1.00 0.00 C ATOM 861 OE1 GLU A 243 14.325 2.990 8.515 1.00 0.00 O ATOM 862 OE2 GLU A 243 13.761 0.920 8.125 1.00 0.00 O ATOM 0 H GLU A 243 17.436 4.751 5.007 1.00 0.00 H new ATOM 0 HA GLU A 243 16.793 2.068 4.535 1.00 0.00 H new ATOM 0 HB2 GLU A 243 16.548 3.221 6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 243 15.250 4.202 6.045 1.00 0.00 H new ATOM 0 HG2 GLU A 243 13.856 2.248 5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 243 15.182 1.158 6.008 1.00 0.00 H new ATOM 869 N TRP A 244 14.768 1.843 3.106 1.00 0.00 N ATOM 870 CA TRP A 244 13.773 1.640 2.068 1.00 0.00 C ATOM 871 C TRP A 244 12.422 2.220 2.488 1.00 0.00 C ATOM 872 O TRP A 244 12.017 2.100 3.649 1.00 0.00 O ATOM 873 CB TRP A 244 13.639 0.148 1.780 1.00 0.00 C ATOM 874 CG TRP A 244 12.660 -0.132 0.690 1.00 0.00 C ATOM 875 CD1 TRP A 244 12.875 0.127 -0.614 1.00 0.00 C ATOM 876 CD2 TRP A 244 11.277 -0.580 0.793 1.00 0.00 C ATOM 877 NE1 TRP A 244 11.718 -0.093 -1.328 1.00 0.00 N ATOM 878 CE2 TRP A 244 10.686 -0.493 -0.501 1.00 0.00 C ATOM 879 CE3 TRP A 244 10.456 -1.028 1.851 1.00 0.00 C ATOM 880 CZ2 TRP A 244 9.332 -0.784 -0.708 1.00 0.00 C ATOM 881 CZ3 TRP A 244 9.130 -1.436 1.623 1.00 0.00 C ATOM 882 CH2 TRP A 244 8.569 -1.316 0.343 1.00 0.00 C ATOM 0 H TRP A 244 15.089 0.976 3.538 1.00 0.00 H new ATOM 0 HA TRP A 244 14.096 2.158 1.165 1.00 0.00 H new ATOM 0 HB2 TRP A 244 14.613 -0.255 1.503 1.00 0.00 H new ATOM 0 HB3 TRP A 244 13.327 -0.368 2.688 1.00 0.00 H new ATOM 0 HD1 TRP A 244 13.813 0.457 -1.036 1.00 0.00 H new ATOM 0 HE1 TRP A 244 11.634 0.024 -2.338 1.00 0.00 H new ATOM 0 HE3 TRP A 244 10.854 -1.058 2.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 8.878 -0.600 -1.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 8.543 -1.842 2.434 1.00 0.00 H new ATOM 0 HH2 TRP A 244 7.552 -1.632 0.167 1.00 0.00 H new ATOM 893 N GLU A 245 11.700 2.803 1.533 1.00 0.00 N ATOM 894 CA GLU A 245 10.458 3.532 1.732 1.00 0.00 C ATOM 895 C GLU A 245 9.514 3.195 0.578 1.00 0.00 C ATOM 896 O GLU A 245 9.774 3.603 -0.557 1.00 0.00 O ATOM 897 CB GLU A 245 10.723 5.033 1.742 1.00 0.00 C ATOM 898 CG GLU A 245 11.322 5.487 3.070 1.00 0.00 C ATOM 899 CD GLU A 245 11.898 6.900 2.977 1.00 0.00 C ATOM 900 OE1 GLU A 245 12.591 7.241 1.984 1.00 0.00 O ATOM 901 OE2 GLU A 245 11.720 7.671 3.944 1.00 0.00 O ATOM 0 H GLU A 245 11.983 2.776 0.553 1.00 0.00 H new ATOM 0 HA GLU A 245 10.015 3.249 2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 245 11.402 5.289 0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 245 9.792 5.569 1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 245 10.555 5.457 3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 245 12.107 4.793 3.371 1.00 0.00 H new ATOM 908 N PRO A 246 8.426 2.464 0.838 1.00 0.00 N ATOM 909 CA PRO A 246 7.433 2.156 -0.174 1.00 0.00 C ATOM 910 C PRO A 246 6.773 3.435 -0.714 1.00 0.00 C ATOM 911 O PRO A 246 6.574 4.388 0.050 1.00 0.00 O ATOM 912 CB PRO A 246 6.388 1.269 0.506 1.00 0.00 C ATOM 913 CG PRO A 246 6.770 1.206 1.987 1.00 0.00 C ATOM 914 CD PRO A 246 8.036 2.026 2.156 1.00 0.00 C ATOM 0 HA PRO A 246 7.894 1.656 -1.026 1.00 0.00 H new ATOM 0 HB2 PRO A 246 5.387 1.682 0.381 1.00 0.00 H new ATOM 0 HB3 PRO A 246 6.379 0.272 0.065 1.00 0.00 H new ATOM 0 HG2 PRO A 246 5.968 1.603 2.609 1.00 0.00 H new ATOM 0 HG3 PRO A 246 6.934 0.175 2.299 1.00 0.00 H new ATOM 0 HD2 PRO A 246 7.860 2.879 2.811 1.00 0.00 H new ATOM 0 HD3 PRO A 246 8.825 1.430 2.615 1.00 0.00 H new ATOM 922 N PRO A 247 6.340 3.446 -1.986 1.00 0.00 N ATOM 923 CA PRO A 247 5.306 4.367 -2.428 1.00 0.00 C ATOM 924 C PRO A 247 4.024 4.120 -1.630 1.00 0.00 C ATOM 925 O PRO A 247 3.760 2.995 -1.196 1.00 0.00 O ATOM 926 CB PRO A 247 5.085 4.103 -3.921 1.00 0.00 C ATOM 927 CG PRO A 247 5.932 2.879 -4.271 1.00 0.00 C ATOM 928 CD PRO A 247 6.649 2.452 -2.996 1.00 0.00 C ATOM 0 HA PRO A 247 5.597 5.405 -2.268 1.00 0.00 H new ATOM 0 HB2 PRO A 247 4.031 3.920 -4.132 1.00 0.00 H new ATOM 0 HB3 PRO A 247 5.384 4.966 -4.517 1.00 0.00 H new ATOM 0 HG2 PRO A 247 5.305 2.072 -4.649 1.00 0.00 H new ATOM 0 HG3 PRO A 247 6.650 3.119 -5.055 1.00 0.00 H new ATOM 0 HD2 PRO A 247 6.317 1.463 -2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 247 7.725 2.390 -3.160 1.00 0.00 H new ATOM 936 N VAL A 248 3.192 5.153 -1.500 1.00 0.00 N ATOM 937 CA VAL A 248 1.898 5.059 -0.853 1.00 0.00 C ATOM 938 C VAL A 248 0.866 5.175 -1.962 1.00 0.00 C ATOM 939 O VAL A 248 0.728 6.230 -2.590 1.00 0.00 O ATOM 940 CB VAL A 248 1.707 6.120 0.247 1.00 0.00 C ATOM 941 CG1 VAL A 248 0.823 5.549 1.353 1.00 0.00 C ATOM 942 CG2 VAL A 248 2.990 6.594 0.922 1.00 0.00 C ATOM 0 H VAL A 248 3.407 6.087 -1.848 1.00 0.00 H new ATOM 0 HA VAL A 248 1.796 4.111 -0.325 1.00 0.00 H new ATOM 0 HB VAL A 248 1.268 6.975 -0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 248 0.686 6.298 2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 248 -0.147 5.276 0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 248 1.298 4.665 1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 248 2.748 7.339 1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 248 3.488 5.746 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 248 3.651 7.036 0.177 1.00 0.00 H new ATOM 952 N ILE A 249 0.182 4.080 -2.251 1.00 0.00 N ATOM 953 CA ILE A 249 -0.722 3.962 -3.378 1.00 0.00 C ATOM 954 C ILE A 249 -2.154 4.143 -2.861 1.00 0.00 C ATOM 955 O ILE A 249 -2.419 3.935 -1.671 1.00 0.00 O ATOM 956 CB ILE A 249 -0.444 2.637 -4.120 1.00 0.00 C ATOM 957 CG1 ILE A 249 -1.074 1.435 -3.396 1.00 0.00 C ATOM 958 CG2 ILE A 249 1.075 2.429 -4.316 1.00 0.00 C ATOM 959 CD1 ILE A 249 -0.917 0.132 -4.191 1.00 0.00 C ATOM 0 H ILE A 249 0.243 3.228 -1.693 1.00 0.00 H new ATOM 0 HA ILE A 249 -0.568 4.739 -4.126 1.00 0.00 H new ATOM 0 HB ILE A 249 -0.912 2.706 -5.102 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -0.610 1.319 -2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -2.133 1.630 -3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 249 1.249 1.490 -4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 249 1.482 3.253 -4.902 1.00 0.00 H new ATOM 0 HG23 ILE A 249 1.566 2.398 -3.344 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -1.377 -0.688 -3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -1.404 0.236 -5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 249 0.142 -0.079 -4.338 1.00 0.00 H new ATOM 971 N GLN A 250 -3.093 4.518 -3.734 1.00 0.00 N ATOM 972 CA GLN A 250 -4.443 4.891 -3.308 1.00 0.00 C ATOM 973 C GLN A 250 -5.343 3.643 -3.207 1.00 0.00 C ATOM 974 O GLN A 250 -6.353 3.528 -3.902 1.00 0.00 O ATOM 975 CB GLN A 250 -4.983 6.026 -4.208 1.00 0.00 C ATOM 976 CG GLN A 250 -5.953 6.977 -3.485 1.00 0.00 C ATOM 977 CD GLN A 250 -7.329 6.372 -3.212 1.00 0.00 C ATOM 978 OE1 GLN A 250 -8.241 6.441 -4.029 1.00 0.00 O ATOM 979 NE2 GLN A 250 -7.527 5.758 -2.062 1.00 0.00 N ATOM 0 H GLN A 250 -2.942 4.571 -4.741 1.00 0.00 H new ATOM 0 HA GLN A 250 -4.430 5.303 -2.299 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -4.143 6.603 -4.595 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -5.490 5.587 -5.067 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -5.508 7.283 -2.538 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -6.076 7.879 -4.085 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -6.772 5.698 -1.379 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -8.436 5.343 -1.855 1.00 0.00 H new ATOM 988 N ASN A 251 -4.963 2.707 -2.332 1.00 0.00 N ATOM 989 CA ASN A 251 -5.493 1.365 -2.084 1.00 0.00 C ATOM 990 C ASN A 251 -5.586 0.499 -3.370 1.00 0.00 C ATOM 991 O ASN A 251 -5.346 1.011 -4.468 1.00 0.00 O ATOM 992 CB ASN A 251 -6.824 1.574 -1.340 1.00 0.00 C ATOM 993 CG ASN A 251 -7.101 0.616 -0.198 1.00 0.00 C ATOM 994 OD1 ASN A 251 -6.197 0.048 0.393 1.00 0.00 O ATOM 995 ND2 ASN A 251 -8.357 0.401 0.157 1.00 0.00 N ATOM 0 H ASN A 251 -4.181 2.897 -1.705 1.00 0.00 H new ATOM 0 HA ASN A 251 -4.818 0.771 -1.467 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -6.843 2.591 -0.948 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -7.638 1.494 -2.061 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -8.568 -0.238 0.923 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -9.114 0.875 -0.335 1.00 0.00 H new ATOM 1002 N PRO A 252 -5.905 -0.812 -3.315 1.00 0.00 N ATOM 1003 CA PRO A 252 -6.174 -1.586 -4.531 1.00 0.00 C ATOM 1004 C PRO A 252 -7.621 -1.414 -5.016 1.00 0.00 C ATOM 1005 O PRO A 252 -7.933 -1.737 -6.159 1.00 0.00 O ATOM 1006 CB PRO A 252 -5.874 -3.040 -4.165 1.00 0.00 C ATOM 1007 CG PRO A 252 -6.215 -3.111 -2.684 1.00 0.00 C ATOM 1008 CD PRO A 252 -5.875 -1.713 -2.169 1.00 0.00 C ATOM 0 HA PRO A 252 -5.555 -1.244 -5.360 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -6.478 -3.734 -4.750 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -4.830 -3.293 -4.349 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -7.266 -3.352 -2.526 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -5.632 -3.879 -2.175 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -6.593 -1.397 -1.412 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -4.892 -1.705 -1.699 1.00 0.00 H new ATOM 1016 N GLU A 253 -8.514 -0.927 -4.146 1.00 0.00 N ATOM 1017 CA GLU A 253 -9.959 -1.034 -4.316 1.00 0.00 C ATOM 1018 C GLU A 253 -10.699 0.284 -4.002 1.00 0.00 C ATOM 1019 O GLU A 253 -11.860 0.410 -4.368 1.00 0.00 O ATOM 1020 CB GLU A 253 -10.382 -2.113 -3.297 1.00 0.00 C ATOM 1021 CG GLU A 253 -11.823 -2.254 -2.934 1.00 0.00 C ATOM 1022 CD GLU A 253 -12.379 -3.653 -2.722 1.00 0.00 C ATOM 1023 OE1 GLU A 253 -12.347 -4.088 -1.550 1.00 0.00 O ATOM 1024 OE2 GLU A 253 -12.935 -4.261 -3.665 1.00 0.00 O ATOM 0 H GLU A 253 -8.243 -0.440 -3.292 1.00 0.00 H new ATOM 0 HA GLU A 253 -10.209 -1.274 -5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -10.046 -3.076 -3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -9.829 -1.928 -2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -11.992 -1.687 -2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -12.412 -1.778 -3.718 1.00 0.00 H new ATOM 1031 N TYR A 254 -10.062 1.212 -3.269 1.00 0.00 N ATOM 1032 CA TYR A 254 -10.666 2.130 -2.285 1.00 0.00 C ATOM 1033 C TYR A 254 -12.166 2.363 -2.546 1.00 0.00 C ATOM 1034 O TYR A 254 -12.536 3.166 -3.401 1.00 0.00 O ATOM 1035 CB TYR A 254 -9.867 3.447 -2.302 1.00 0.00 C ATOM 1036 CG TYR A 254 -10.442 4.536 -1.420 1.00 0.00 C ATOM 1037 CD1 TYR A 254 -10.206 4.533 -0.032 1.00 0.00 C ATOM 1038 CD2 TYR A 254 -11.263 5.525 -1.993 1.00 0.00 C ATOM 1039 CE1 TYR A 254 -10.785 5.531 0.775 1.00 0.00 C ATOM 1040 CE2 TYR A 254 -11.858 6.509 -1.191 1.00 0.00 C ATOM 1041 CZ TYR A 254 -11.586 6.543 0.193 1.00 0.00 C ATOM 1042 OH TYR A 254 -12.205 7.484 0.956 1.00 0.00 O ATOM 0 H TYR A 254 -9.055 1.351 -3.351 1.00 0.00 H new ATOM 0 HA TYR A 254 -10.612 1.681 -1.293 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -8.844 3.242 -1.986 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -9.816 3.815 -3.327 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -9.584 3.769 0.411 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -11.436 5.526 -3.059 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -10.617 5.525 1.842 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -12.522 7.238 -1.631 1.00 0.00 H new ATOM 0 HH TYR A 254 -12.709 8.094 0.378 1.00 0.00 H new ATOM 1052 N LYS A 255 -13.023 1.651 -1.794 1.00 0.00 N ATOM 1053 CA LYS A 255 -14.473 1.735 -1.941 1.00 0.00 C ATOM 1054 C LYS A 255 -14.920 3.167 -1.713 1.00 0.00 C ATOM 1055 O LYS A 255 -15.768 3.673 -2.446 1.00 0.00 O ATOM 1056 CB LYS A 255 -15.236 0.829 -0.958 1.00 0.00 C ATOM 1057 CG LYS A 255 -15.099 -0.662 -1.270 1.00 0.00 C ATOM 1058 CD LYS A 255 -15.864 -1.484 -0.225 1.00 0.00 C ATOM 1059 CE LYS A 255 -14.960 -2.177 0.796 1.00 0.00 C ATOM 1060 NZ LYS A 255 -14.292 -3.368 0.231 1.00 0.00 N ATOM 0 H LYS A 255 -12.722 1.002 -1.067 1.00 0.00 H new ATOM 0 HA LYS A 255 -14.704 1.397 -2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -14.872 1.015 0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -16.292 1.099 -0.972 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -15.488 -0.872 -2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -14.047 -0.947 -1.272 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -16.557 -0.829 0.303 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -16.463 -2.237 -0.736 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -14.207 -1.473 1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -15.552 -2.471 1.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -13.842 -3.909 0.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -14.995 -3.966 -0.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -13.568 -3.068 -0.453 1.00 0.00 H new ATOM 1074 N GLY A 256 -14.326 3.784 -0.692 1.00 0.00 N ATOM 1075 CA GLY A 256 -14.519 5.159 -0.325 1.00 0.00 C ATOM 1076 C GLY A 256 -15.890 5.372 0.253 1.00 0.00 C ATOM 1077 O GLY A 256 -16.079 5.194 1.464 1.00 0.00 O ATOM 0 H GLY A 256 -13.669 3.303 -0.078 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -13.763 5.455 0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -14.386 5.795 -1.200 1.00 0.00 H new ATOM 1081 N GLU A 257 -16.827 5.787 -0.597 1.00 0.00 N ATOM 1082 CA GLU A 257 -18.134 6.150 -0.130 1.00 0.00 C ATOM 1083 C GLU A 257 -18.805 4.920 0.494 1.00 0.00 C ATOM 1084 O GLU A 257 -18.465 3.793 0.135 1.00 0.00 O ATOM 1085 CB GLU A 257 -18.956 6.806 -1.247 1.00 0.00 C ATOM 1086 CG GLU A 257 -19.716 5.906 -2.241 1.00 0.00 C ATOM 1087 CD GLU A 257 -18.976 5.526 -3.535 1.00 0.00 C ATOM 1088 OE1 GLU A 257 -17.758 5.769 -3.664 1.00 0.00 O ATOM 1089 OE2 GLU A 257 -19.643 5.001 -4.462 1.00 0.00 O ATOM 0 H GLU A 257 -16.693 5.875 -1.604 1.00 0.00 H new ATOM 0 HA GLU A 257 -18.059 6.907 0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -19.685 7.465 -0.776 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -18.281 7.438 -1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -19.992 4.987 -1.725 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -20.643 6.409 -2.515 1.00 0.00 H new ATOM 1096 N TRP A 258 -19.771 5.097 1.396 1.00 0.00 N ATOM 1097 CA TRP A 258 -20.609 4.003 1.880 1.00 0.00 C ATOM 1098 C TRP A 258 -22.052 4.305 1.515 1.00 0.00 C ATOM 1099 O TRP A 258 -22.460 5.471 1.463 1.00 0.00 O ATOM 1100 CB TRP A 258 -20.439 3.783 3.383 1.00 0.00 C ATOM 1101 CG TRP A 258 -21.485 2.882 3.977 1.00 0.00 C ATOM 1102 CD1 TRP A 258 -21.421 1.536 4.107 1.00 0.00 C ATOM 1103 CD2 TRP A 258 -22.840 3.251 4.369 1.00 0.00 C ATOM 1104 NE1 TRP A 258 -22.637 1.062 4.562 1.00 0.00 N ATOM 1105 CE2 TRP A 258 -23.558 2.071 4.704 1.00 0.00 C ATOM 1106 CE3 TRP A 258 -23.559 4.461 4.369 1.00 0.00 C ATOM 1107 CZ2 TRP A 258 -24.912 2.094 5.059 1.00 0.00 C ATOM 1108 CZ3 TRP A 258 -24.928 4.489 4.677 1.00 0.00 C ATOM 1109 CH2 TRP A 258 -25.600 3.316 5.057 1.00 0.00 C ATOM 0 H TRP A 258 -19.993 6.002 1.810 1.00 0.00 H new ATOM 0 HA TRP A 258 -20.302 3.072 1.403 1.00 0.00 H new ATOM 0 HB2 TRP A 258 -19.454 3.357 3.571 1.00 0.00 H new ATOM 0 HB3 TRP A 258 -20.471 4.748 3.890 1.00 0.00 H new ATOM 0 HD1 TRP A 258 -20.555 0.928 3.889 1.00 0.00 H new ATOM 0 HE1 TRP A 258 -22.827 0.081 4.768 1.00 0.00 H new ATOM 0 HE3 TRP A 258 -23.049 5.382 4.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 258 -25.421 1.181 5.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 258 -25.470 5.422 4.621 1.00 0.00 H new ATOM 0 HH2 TRP A 258 -26.640 3.355 5.346 1.00 0.00 H new ATOM 1120 N LYS A 259 -22.817 3.245 1.240 1.00 0.00 N ATOM 1121 CA LYS A 259 -24.202 3.297 0.805 1.00 0.00 C ATOM 1122 C LYS A 259 -24.874 1.984 1.249 1.00 0.00 C ATOM 1123 O LYS A 259 -24.189 0.958 1.330 1.00 0.00 O ATOM 1124 CB LYS A 259 -24.259 3.462 -0.731 1.00 0.00 C ATOM 1125 CG LYS A 259 -23.362 4.589 -1.295 1.00 0.00 C ATOM 1126 CD LYS A 259 -23.383 4.753 -2.818 1.00 0.00 C ATOM 1127 CE LYS A 259 -24.554 5.607 -3.310 1.00 0.00 C ATOM 1128 NZ LYS A 259 -24.557 5.692 -4.786 1.00 0.00 N ATOM 0 H LYS A 259 -22.467 2.290 1.320 1.00 0.00 H new ATOM 0 HA LYS A 259 -24.724 4.146 1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 259 -23.969 2.519 -1.195 1.00 0.00 H new ATOM 0 HB3 LYS A 259 -25.291 3.657 -1.024 1.00 0.00 H new ATOM 0 HG2 LYS A 259 -23.667 5.532 -0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 259 -22.335 4.402 -0.982 1.00 0.00 H new ATOM 0 HD2 LYS A 259 -22.447 5.208 -3.142 1.00 0.00 H new ATOM 0 HD3 LYS A 259 -23.437 3.769 -3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 259 -25.494 5.177 -2.964 1.00 0.00 H new ATOM 0 HE3 LYS A 259 -24.485 6.608 -2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 259 -25.359 6.276 -5.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 259 -23.668 6.123 -5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 259 -24.646 4.737 -5.189 1.00 0.00 H new ATOM 1142 N PRO A 260 -26.185 1.975 1.538 1.00 0.00 N ATOM 1143 CA PRO A 260 -26.891 0.825 2.096 1.00 0.00 C ATOM 1144 C PRO A 260 -27.391 -0.115 0.992 1.00 0.00 C ATOM 1145 O PRO A 260 -28.596 -0.273 0.770 1.00 0.00 O ATOM 1146 CB PRO A 260 -28.035 1.428 2.911 1.00 0.00 C ATOM 1147 CG PRO A 260 -28.374 2.708 2.150 1.00 0.00 C ATOM 1148 CD PRO A 260 -27.042 3.146 1.548 1.00 0.00 C ATOM 0 HA PRO A 260 -26.246 0.204 2.717 1.00 0.00 H new ATOM 0 HB2 PRO A 260 -28.890 0.754 2.964 1.00 0.00 H new ATOM 0 HB3 PRO A 260 -27.731 1.638 3.936 1.00 0.00 H new ATOM 0 HG2 PRO A 260 -29.121 2.526 1.377 1.00 0.00 H new ATOM 0 HG3 PRO A 260 -28.782 3.470 2.814 1.00 0.00 H new ATOM 0 HD2 PRO A 260 -27.182 3.532 0.538 1.00 0.00 H new ATOM 0 HD3 PRO A 260 -26.596 3.947 2.137 1.00 0.00 H new ATOM 1156 N ARG A 261 -26.483 -0.723 0.234 1.00 0.00 N ATOM 1157 CA ARG A 261 -26.730 -1.883 -0.604 1.00 0.00 C ATOM 1158 C ARG A 261 -25.349 -2.394 -0.935 1.00 0.00 C ATOM 1159 O ARG A 261 -25.047 -3.572 -0.640 1.00 0.00 O ATOM 1160 CB ARG A 261 -27.531 -1.535 -1.871 1.00 0.00 C ATOM 1161 CG ARG A 261 -28.250 -2.771 -2.401 1.00 0.00 C ATOM 1162 CD ARG A 261 -29.063 -2.439 -3.657 1.00 0.00 C ATOM 1163 NE ARG A 261 -28.178 -2.084 -4.776 1.00 0.00 N ATOM 1164 CZ ARG A 261 -28.544 -1.681 -5.993 1.00 0.00 C ATOM 1165 NH1 ARG A 261 -29.821 -1.519 -6.324 1.00 0.00 N ATOM 1166 NH2 ARG A 261 -27.597 -1.446 -6.889 1.00 0.00 N ATOM 0 H ARG A 261 -25.515 -0.404 0.188 1.00 0.00 H new ATOM 0 HA ARG A 261 -27.343 -2.629 -0.098 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -28.256 -0.753 -1.647 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -26.862 -1.140 -2.635 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -27.522 -3.549 -2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -28.911 -3.170 -1.631 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -29.679 -3.295 -3.933 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -29.741 -1.612 -3.448 1.00 0.00 H new ATOM 0 HE ARG A 261 -27.175 -2.154 -4.602 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -30.553 -1.704 -5.638 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -30.069 -1.209 -7.264 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -26.616 -1.574 -6.640 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -27.849 -1.137 -7.828 1.00 0.00 H new