USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=7 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+ -141:sc= 1.29 (180deg=-0.128) USER MOD Single : A 214 SER OG : rot -66:sc= 0.229 USER MOD Single : A 215 LYS NZ :NH3+ 156:sc= 1.59 (180deg=1.4) USER MOD Single : A 221 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00269) 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+ -139:sc=-0.00247 (180deg=-0.973) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 250 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.14) USER MOD Single : A 251 ASN : amide:sc= 0.999 K(o=1,f=-9.7!) USER MOD Single : A 254 TYR OH : rot 180:sc= 0 USER MOD Single : A 255 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0735) USER MOD Single : A 259 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 123 N ASP A 195 -17.093 15.672 17.334 1.00 0.00 N ATOM 124 CA ASP A 195 -15.794 15.053 17.117 1.00 0.00 C ATOM 125 C ASP A 195 -15.541 14.076 18.261 1.00 0.00 C ATOM 126 O ASP A 195 -15.933 12.908 18.179 1.00 0.00 O ATOM 127 CB ASP A 195 -14.740 16.152 16.876 1.00 0.00 C ATOM 128 CG ASP A 195 -13.299 15.674 16.986 1.00 0.00 C ATOM 129 OD1 ASP A 195 -12.895 14.761 16.238 1.00 0.00 O ATOM 130 OD2 ASP A 195 -12.559 16.281 17.795 1.00 0.00 O ATOM 0 HA ASP A 195 -15.741 14.447 16.213 1.00 0.00 H new ATOM 0 HB2 ASP A 195 -14.895 16.576 15.884 1.00 0.00 H new ATOM 0 HB3 ASP A 195 -14.900 16.956 17.595 1.00 0.00 H new ATOM 135 N ALA A 196 -15.032 14.582 19.376 1.00 0.00 N ATOM 136 CA ALA A 196 -14.837 13.836 20.616 1.00 0.00 C ATOM 137 C ALA A 196 -14.926 14.694 21.883 1.00 0.00 C ATOM 138 O ALA A 196 -14.637 14.214 22.977 1.00 0.00 O ATOM 139 CB ALA A 196 -13.515 13.066 20.530 1.00 0.00 C ATOM 0 H ALA A 196 -14.733 15.555 19.447 1.00 0.00 H new ATOM 0 HA ALA A 196 -15.666 13.135 20.713 1.00 0.00 H new ATOM 0 HB1 ALA A 196 -13.360 12.505 21.452 1.00 0.00 H new ATOM 0 HB2 ALA A 196 -13.550 12.376 19.687 1.00 0.00 H new ATOM 0 HB3 ALA A 196 -12.693 13.768 20.390 1.00 0.00 H new ATOM 145 N ALA A 197 -15.322 15.958 21.762 1.00 0.00 N ATOM 146 CA ALA A 197 -15.565 16.875 22.869 1.00 0.00 C ATOM 147 C ALA A 197 -16.761 17.725 22.463 1.00 0.00 C ATOM 148 O ALA A 197 -16.688 18.480 21.494 1.00 0.00 O ATOM 149 CB ALA A 197 -14.324 17.722 23.167 1.00 0.00 C ATOM 0 H ALA A 197 -15.489 16.388 20.852 1.00 0.00 H new ATOM 0 HA ALA A 197 -15.778 16.339 23.794 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -14.535 18.397 23.997 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -13.493 17.069 23.432 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -14.060 18.304 22.284 1.00 0.00 H new ATOM 155 N LYS A 198 -17.886 17.517 23.141 1.00 0.00 N ATOM 156 CA LYS A 198 -19.138 18.183 22.842 1.00 0.00 C ATOM 157 C LYS A 198 -19.160 19.539 23.559 1.00 0.00 C ATOM 158 O LYS A 198 -18.900 19.547 24.763 1.00 0.00 O ATOM 159 CB LYS A 198 -20.343 17.312 23.224 1.00 0.00 C ATOM 160 CG LYS A 198 -20.252 16.523 24.544 1.00 0.00 C ATOM 161 CD LYS A 198 -20.267 15.002 24.337 1.00 0.00 C ATOM 162 CE LYS A 198 -18.867 14.362 24.247 1.00 0.00 C ATOM 163 NZ LYS A 198 -18.924 12.931 23.864 1.00 0.00 N ATOM 0 H LYS A 198 -17.948 16.869 23.926 1.00 0.00 H new ATOM 0 HA LYS A 198 -19.213 18.350 21.767 1.00 0.00 H new ATOM 0 HB2 LYS A 198 -21.222 17.955 23.275 1.00 0.00 H new ATOM 0 HB3 LYS A 198 -20.515 16.600 22.416 1.00 0.00 H new ATOM 0 HG2 LYS A 198 -19.337 16.804 25.066 1.00 0.00 H new ATOM 0 HG3 LYS A 198 -21.086 16.805 25.187 1.00 0.00 H new ATOM 0 HD2 LYS A 198 -20.813 14.540 25.160 1.00 0.00 H new ATOM 0 HD3 LYS A 198 -20.817 14.776 23.423 1.00 0.00 H new ATOM 0 HE2 LYS A 198 -18.267 14.907 23.518 1.00 0.00 H new ATOM 0 HE3 LYS A 198 -18.364 14.458 25.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 198 -18.211 12.399 24.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 198 -19.870 12.553 24.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 198 -18.731 12.836 22.847 1.00 0.00 H new ATOM 177 N PRO A 199 -19.561 20.629 22.883 1.00 0.00 N ATOM 178 CA PRO A 199 -19.526 22.011 23.375 1.00 0.00 C ATOM 179 C PRO A 199 -20.669 22.303 24.363 1.00 0.00 C ATOM 180 O PRO A 199 -21.412 23.271 24.196 1.00 0.00 O ATOM 181 CB PRO A 199 -19.593 22.861 22.094 1.00 0.00 C ATOM 182 CG PRO A 199 -20.454 22.013 21.164 1.00 0.00 C ATOM 183 CD PRO A 199 -19.994 20.598 21.496 1.00 0.00 C ATOM 0 HA PRO A 199 -18.631 22.232 23.956 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -20.041 23.837 22.280 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -18.602 23.039 21.676 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -21.518 22.151 21.357 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -20.285 22.260 20.116 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -20.804 19.882 21.357 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -19.180 20.289 20.840 1.00 0.00 H new ATOM 191 N GLU A 200 -20.855 21.422 25.344 1.00 0.00 N ATOM 192 CA GLU A 200 -21.820 21.512 26.430 1.00 0.00 C ATOM 193 C GLU A 200 -21.569 20.386 27.441 1.00 0.00 C ATOM 194 O GLU A 200 -21.960 20.540 28.590 1.00 0.00 O ATOM 195 CB GLU A 200 -23.242 21.333 25.873 1.00 0.00 C ATOM 196 CG GLU A 200 -24.375 21.674 26.856 1.00 0.00 C ATOM 197 CD GLU A 200 -24.805 23.141 26.837 1.00 0.00 C ATOM 198 OE1 GLU A 200 -23.973 24.032 26.543 1.00 0.00 O ATOM 199 OE2 GLU A 200 -26.000 23.391 27.122 1.00 0.00 O ATOM 0 H GLU A 200 -20.296 20.571 25.402 1.00 0.00 H new ATOM 0 HA GLU A 200 -21.715 22.485 26.909 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -23.350 21.959 24.987 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -23.361 20.299 25.550 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -25.239 21.051 26.626 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -24.055 21.415 27.865 1.00 0.00 H new ATOM 206 N ASP A 201 -20.936 19.269 27.037 1.00 0.00 N ATOM 207 CA ASP A 201 -21.023 17.934 27.651 1.00 0.00 C ATOM 208 C ASP A 201 -22.451 17.366 27.562 1.00 0.00 C ATOM 209 O ASP A 201 -22.885 16.594 28.418 1.00 0.00 O ATOM 210 CB ASP A 201 -20.397 17.897 29.047 1.00 0.00 C ATOM 211 CG ASP A 201 -18.884 18.073 29.016 1.00 0.00 C ATOM 212 OD1 ASP A 201 -18.172 17.172 28.513 1.00 0.00 O ATOM 213 OD2 ASP A 201 -18.401 19.121 29.506 1.00 0.00 O ATOM 0 H ASP A 201 -20.315 19.276 26.228 1.00 0.00 H new ATOM 0 HA ASP A 201 -20.409 17.248 27.067 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -20.838 18.683 29.660 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -20.639 16.947 29.524 1.00 0.00 H new ATOM 218 N TRP A 202 -23.203 17.736 26.512 1.00 0.00 N ATOM 219 CA TRP A 202 -24.553 17.226 26.290 1.00 0.00 C ATOM 220 C TRP A 202 -24.641 15.731 25.967 1.00 0.00 C ATOM 221 O TRP A 202 -25.702 15.153 26.199 1.00 0.00 O ATOM 222 CB TRP A 202 -25.305 18.020 25.210 1.00 0.00 C ATOM 223 CG TRP A 202 -24.640 18.578 23.987 1.00 0.00 C ATOM 224 CD1 TRP A 202 -23.801 17.929 23.151 1.00 0.00 C ATOM 225 CD2 TRP A 202 -24.863 19.890 23.377 1.00 0.00 C ATOM 226 NE1 TRP A 202 -23.465 18.753 22.096 1.00 0.00 N ATOM 227 CE2 TRP A 202 -24.077 19.982 22.192 1.00 0.00 C ATOM 228 CE3 TRP A 202 -25.653 21.013 23.704 1.00 0.00 C ATOM 229 CZ2 TRP A 202 -24.072 21.127 21.383 1.00 0.00 C ATOM 230 CZ3 TRP A 202 -25.598 22.194 22.942 1.00 0.00 C ATOM 231 CH2 TRP A 202 -24.813 22.252 21.778 1.00 0.00 C ATOM 0 H TRP A 202 -22.888 18.395 25.800 1.00 0.00 H new ATOM 0 HA TRP A 202 -25.034 17.366 27.258 1.00 0.00 H new ATOM 0 HB2 TRP A 202 -26.109 17.374 24.856 1.00 0.00 H new ATOM 0 HB3 TRP A 202 -25.774 18.863 25.718 1.00 0.00 H new ATOM 0 HD1 TRP A 202 -23.447 16.918 23.287 1.00 0.00 H new ATOM 0 HE1 TRP A 202 -22.839 18.484 21.337 1.00 0.00 H new ATOM 0 HE3 TRP A 202 -26.314 20.964 24.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 202 -23.504 21.143 20.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 202 -26.162 23.061 23.253 1.00 0.00 H new ATOM 0 HH2 TRP A 202 -24.780 23.157 21.190 1.00 0.00 H new ATOM 242 N ASP A 203 -23.592 15.150 25.374 1.00 0.00 N ATOM 243 CA ASP A 203 -23.532 13.838 24.738 1.00 0.00 C ATOM 244 C ASP A 203 -24.800 13.528 23.965 1.00 0.00 C ATOM 245 O ASP A 203 -25.708 12.849 24.439 1.00 0.00 O ATOM 246 CB ASP A 203 -23.054 12.719 25.676 1.00 0.00 C ATOM 247 CG ASP A 203 -22.340 11.628 24.868 1.00 0.00 C ATOM 248 OD1 ASP A 203 -21.510 11.958 23.984 1.00 0.00 O ATOM 249 OD2 ASP A 203 -22.529 10.429 25.153 1.00 0.00 O ATOM 0 H ASP A 203 -22.692 15.628 25.325 1.00 0.00 H new ATOM 0 HA ASP A 203 -22.742 13.885 23.988 1.00 0.00 H new ATOM 0 HB2 ASP A 203 -22.379 13.127 26.428 1.00 0.00 H new ATOM 0 HB3 ASP A 203 -23.904 12.292 26.209 1.00 0.00 H new ATOM 254 N GLU A 204 -24.868 14.147 22.786 1.00 0.00 N ATOM 255 CA GLU A 204 -25.924 13.970 21.797 1.00 0.00 C ATOM 256 C GLU A 204 -27.278 14.540 22.229 1.00 0.00 C ATOM 257 O GLU A 204 -28.256 14.481 21.484 1.00 0.00 O ATOM 258 CB GLU A 204 -25.860 12.524 21.275 1.00 0.00 C ATOM 259 CG GLU A 204 -26.501 12.334 19.882 1.00 0.00 C ATOM 260 CD GLU A 204 -25.889 11.205 19.028 1.00 0.00 C ATOM 261 OE1 GLU A 204 -25.030 10.427 19.501 1.00 0.00 O ATOM 262 OE2 GLU A 204 -26.151 11.184 17.797 1.00 0.00 O ATOM 0 H GLU A 204 -24.157 14.813 22.484 1.00 0.00 H new ATOM 0 HA GLU A 204 -25.758 14.598 20.922 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -24.817 12.210 21.231 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -26.361 11.868 21.987 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -27.564 12.134 20.013 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -26.419 13.271 19.331 1.00 0.00 H new ATOM 269 N ARG A 205 -27.290 15.248 23.368 1.00 0.00 N ATOM 270 CA ARG A 205 -28.464 15.743 24.060 1.00 0.00 C ATOM 271 C ARG A 205 -29.346 14.545 24.411 1.00 0.00 C ATOM 272 O ARG A 205 -30.536 14.500 24.090 1.00 0.00 O ATOM 273 CB ARG A 205 -29.129 16.862 23.245 1.00 0.00 C ATOM 274 CG ARG A 205 -29.764 17.928 24.148 1.00 0.00 C ATOM 275 CD ARG A 205 -28.829 19.140 24.335 1.00 0.00 C ATOM 276 NE ARG A 205 -29.499 20.325 24.905 1.00 0.00 N ATOM 277 CZ ARG A 205 -30.432 21.081 24.309 1.00 0.00 C ATOM 278 NH1 ARG A 205 -30.850 20.799 23.074 1.00 0.00 N ATOM 279 NH2 ARG A 205 -30.951 22.128 24.946 1.00 0.00 N ATOM 0 H ARG A 205 -26.426 15.499 23.849 1.00 0.00 H new ATOM 0 HA ARG A 205 -28.220 16.225 25.007 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -28.387 17.330 22.598 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -29.893 16.434 22.596 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -30.708 18.259 23.714 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -29.995 17.492 25.120 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -28.003 18.853 24.985 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -28.397 19.407 23.370 1.00 0.00 H new ATOM 0 HE ARG A 205 -29.224 20.597 25.849 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -30.459 20.001 22.573 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -31.560 21.381 22.631 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -30.639 22.357 25.890 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -31.661 22.702 24.490 1.00 0.00 H new ATOM 293 N ALA A 206 -28.697 13.578 25.063 1.00 0.00 N ATOM 294 CA ALA A 206 -29.195 12.231 25.294 1.00 0.00 C ATOM 295 C ALA A 206 -29.457 11.609 23.927 1.00 0.00 C ATOM 296 O ALA A 206 -28.631 11.796 23.041 1.00 0.00 O ATOM 297 CB ALA A 206 -30.349 12.223 26.311 1.00 0.00 C ATOM 0 H ALA A 206 -27.769 13.725 25.460 1.00 0.00 H new ATOM 0 HA ALA A 206 -28.468 11.587 25.789 1.00 0.00 H new ATOM 0 HB1 ALA A 206 -30.696 11.200 26.459 1.00 0.00 H new ATOM 0 HB2 ALA A 206 -30.000 12.629 27.260 1.00 0.00 H new ATOM 0 HB3 ALA A 206 -31.170 12.834 25.935 1.00 0.00 H new ATOM 408 N SER A 214 -24.547 3.342 10.098 1.00 0.00 N ATOM 409 CA SER A 214 -24.197 3.911 8.821 1.00 0.00 C ATOM 410 C SER A 214 -22.721 4.282 8.828 1.00 0.00 C ATOM 411 O SER A 214 -22.346 5.375 9.262 1.00 0.00 O ATOM 412 CB SER A 214 -25.108 5.093 8.487 1.00 0.00 C ATOM 413 OG SER A 214 -26.446 4.653 8.309 1.00 0.00 O ATOM 0 HA SER A 214 -24.352 3.178 8.029 1.00 0.00 H new ATOM 0 HB2 SER A 214 -25.065 5.831 9.288 1.00 0.00 H new ATOM 0 HB3 SER A 214 -24.757 5.586 7.580 1.00 0.00 H new ATOM 0 HG SER A 214 -26.499 4.080 7.516 1.00 0.00 H new ATOM 419 N LYS A 215 -21.936 3.356 8.279 1.00 0.00 N ATOM 420 CA LYS A 215 -20.503 3.376 8.061 1.00 0.00 C ATOM 421 C LYS A 215 -19.756 3.039 9.349 1.00 0.00 C ATOM 422 O LYS A 215 -19.503 3.947 10.146 1.00 0.00 O ATOM 423 CB LYS A 215 -20.037 4.655 7.345 1.00 0.00 C ATOM 424 CG LYS A 215 -19.839 4.348 5.867 1.00 0.00 C ATOM 425 CD LYS A 215 -19.050 5.433 5.149 1.00 0.00 C ATOM 426 CE LYS A 215 -18.830 4.977 3.697 1.00 0.00 C ATOM 427 NZ LYS A 215 -17.775 5.727 3.000 1.00 0.00 N ATOM 0 H LYS A 215 -22.339 2.482 7.942 1.00 0.00 H new ATOM 0 HA LYS A 215 -20.243 2.584 7.359 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -20.775 5.447 7.470 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -19.106 5.015 7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -19.319 3.396 5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -20.812 4.234 5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -19.592 6.378 5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -18.094 5.601 5.645 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -18.575 3.917 3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -19.764 5.083 3.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -17.395 5.150 2.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -18.172 6.608 2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -17.011 5.953 3.668 1.00 0.00 H new ATOM 441 N PRO A 216 -19.418 1.753 9.570 1.00 0.00 N ATOM 442 CA PRO A 216 -18.592 1.349 10.694 1.00 0.00 C ATOM 443 C PRO A 216 -17.152 1.806 10.459 1.00 0.00 C ATOM 444 O PRO A 216 -16.737 2.076 9.331 1.00 0.00 O ATOM 445 CB PRO A 216 -18.706 -0.176 10.745 1.00 0.00 C ATOM 446 CG PRO A 216 -18.975 -0.582 9.298 1.00 0.00 C ATOM 447 CD PRO A 216 -19.715 0.615 8.708 1.00 0.00 C ATOM 0 HA PRO A 216 -18.907 1.792 11.639 1.00 0.00 H new ATOM 0 HB2 PRO A 216 -17.790 -0.631 11.122 1.00 0.00 H new ATOM 0 HB3 PRO A 216 -19.514 -0.493 11.404 1.00 0.00 H new ATOM 0 HG2 PRO A 216 -18.048 -0.782 8.761 1.00 0.00 H new ATOM 0 HG3 PRO A 216 -19.577 -1.489 9.244 1.00 0.00 H new ATOM 0 HD2 PRO A 216 -19.389 0.807 7.686 1.00 0.00 H new ATOM 0 HD3 PRO A 216 -20.788 0.427 8.670 1.00 0.00 H new ATOM 455 N GLU A 217 -16.331 1.799 11.506 1.00 0.00 N ATOM 456 CA GLU A 217 -15.000 2.404 11.496 1.00 0.00 C ATOM 457 C GLU A 217 -13.932 1.529 10.802 1.00 0.00 C ATOM 458 O GLU A 217 -12.732 1.718 11.012 1.00 0.00 O ATOM 459 CB GLU A 217 -14.637 2.778 12.944 1.00 0.00 C ATOM 460 CG GLU A 217 -13.843 4.086 13.001 1.00 0.00 C ATOM 461 CD GLU A 217 -13.565 4.484 14.446 1.00 0.00 C ATOM 462 OE1 GLU A 217 -12.635 3.917 15.063 1.00 0.00 O ATOM 463 OE2 GLU A 217 -14.296 5.351 14.974 1.00 0.00 O ATOM 0 H GLU A 217 -16.574 1.367 12.398 1.00 0.00 H new ATOM 0 HA GLU A 217 -15.020 3.307 10.885 1.00 0.00 H new ATOM 0 HB2 GLU A 217 -15.548 2.877 13.535 1.00 0.00 H new ATOM 0 HB3 GLU A 217 -14.052 1.975 13.393 1.00 0.00 H new ATOM 0 HG2 GLU A 217 -12.902 3.970 12.463 1.00 0.00 H new ATOM 0 HG3 GLU A 217 -14.401 4.878 12.501 1.00 0.00 H new ATOM 470 N ASP A 218 -14.363 0.562 9.987 1.00 0.00 N ATOM 471 CA ASP A 218 -13.534 -0.319 9.156 1.00 0.00 C ATOM 472 C ASP A 218 -13.923 -0.240 7.672 1.00 0.00 C ATOM 473 O ASP A 218 -13.183 -0.722 6.811 1.00 0.00 O ATOM 474 CB ASP A 218 -13.637 -1.755 9.698 1.00 0.00 C ATOM 475 CG ASP A 218 -12.960 -2.826 8.831 1.00 0.00 C ATOM 476 OD1 ASP A 218 -11.718 -2.836 8.699 1.00 0.00 O ATOM 477 OD2 ASP A 218 -13.683 -3.726 8.334 1.00 0.00 O ATOM 0 H ASP A 218 -15.357 0.361 9.883 1.00 0.00 H new ATOM 0 HA ASP A 218 -12.497 0.011 9.212 1.00 0.00 H new ATOM 0 HB2 ASP A 218 -13.196 -1.784 10.694 1.00 0.00 H new ATOM 0 HB3 ASP A 218 -14.691 -2.011 9.808 1.00 0.00 H new ATOM 482 N TRP A 219 -15.059 0.391 7.332 1.00 0.00 N ATOM 483 CA TRP A 219 -15.496 0.428 5.940 1.00 0.00 C ATOM 484 C TRP A 219 -14.711 1.471 5.136 1.00 0.00 C ATOM 485 O TRP A 219 -14.308 1.187 4.007 1.00 0.00 O ATOM 486 CB TRP A 219 -17.020 0.566 5.826 1.00 0.00 C ATOM 487 CG TRP A 219 -17.524 0.586 4.418 1.00 0.00 C ATOM 488 CD1 TRP A 219 -17.424 1.629 3.563 1.00 0.00 C ATOM 489 CD2 TRP A 219 -18.101 -0.507 3.652 1.00 0.00 C ATOM 490 NE1 TRP A 219 -17.912 1.261 2.327 1.00 0.00 N ATOM 491 CE2 TRP A 219 -18.303 -0.060 2.314 1.00 0.00 C ATOM 492 CE3 TRP A 219 -18.420 -1.848 3.944 1.00 0.00 C ATOM 493 CZ2 TRP A 219 -18.776 -0.910 1.308 1.00 0.00 C ATOM 494 CZ3 TRP A 219 -18.904 -2.709 2.944 1.00 0.00 C ATOM 495 CH2 TRP A 219 -19.070 -2.243 1.628 1.00 0.00 C ATOM 0 H TRP A 219 -15.674 0.870 7.990 1.00 0.00 H new ATOM 0 HA TRP A 219 -15.262 -0.533 5.482 1.00 0.00 H new ATOM 0 HB2 TRP A 219 -17.490 -0.261 6.358 1.00 0.00 H new ATOM 0 HB3 TRP A 219 -17.330 1.484 6.325 1.00 0.00 H new ATOM 0 HD1 TRP A 219 -17.023 2.601 3.810 1.00 0.00 H new ATOM 0 HE1 TRP A 219 -17.975 1.887 1.524 1.00 0.00 H new ATOM 0 HE3 TRP A 219 -18.291 -2.219 4.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 219 -18.912 -0.545 0.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 219 -19.149 -3.732 3.187 1.00 0.00 H new ATOM 0 HH2 TRP A 219 -19.425 -2.915 0.860 1.00 0.00 H new ATOM 506 N ASP A 220 -14.457 2.654 5.699 1.00 0.00 N ATOM 507 CA ASP A 220 -13.633 3.702 5.086 1.00 0.00 C ATOM 508 C ASP A 220 -12.159 3.277 5.123 1.00 0.00 C ATOM 509 O ASP A 220 -11.347 3.852 5.860 1.00 0.00 O ATOM 510 CB ASP A 220 -13.776 5.057 5.808 1.00 0.00 C ATOM 511 CG ASP A 220 -15.119 5.749 5.674 1.00 0.00 C ATOM 512 OD1 ASP A 220 -15.541 6.102 4.550 1.00 0.00 O ATOM 513 OD2 ASP A 220 -15.763 5.965 6.731 1.00 0.00 O ATOM 0 H ASP A 220 -14.825 2.917 6.613 1.00 0.00 H new ATOM 0 HA ASP A 220 -13.978 3.829 4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 220 -13.574 4.903 6.868 1.00 0.00 H new ATOM 0 HB3 ASP A 220 -13.005 5.729 5.431 1.00 0.00 H new ATOM 518 N LYS A 221 -11.773 2.258 4.351 1.00 0.00 N ATOM 519 CA LYS A 221 -10.359 1.925 4.184 1.00 0.00 C ATOM 520 C LYS A 221 -9.663 3.149 3.609 1.00 0.00 C ATOM 521 O LYS A 221 -10.251 3.783 2.729 1.00 0.00 O ATOM 522 CB LYS A 221 -10.150 0.706 3.278 1.00 0.00 C ATOM 523 CG LYS A 221 -10.764 -0.584 3.834 1.00 0.00 C ATOM 524 CD LYS A 221 -10.207 -0.954 5.217 1.00 0.00 C ATOM 525 CE LYS A 221 -10.800 -2.267 5.720 1.00 0.00 C ATOM 526 NZ LYS A 221 -10.278 -3.451 5.006 1.00 0.00 N ATOM 0 H LYS A 221 -12.415 1.655 3.836 1.00 0.00 H new ATOM 0 HA LYS A 221 -9.936 1.656 5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -10.583 0.912 2.299 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -9.081 0.554 3.128 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -11.846 -0.468 3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -10.574 -1.402 3.139 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -9.122 -1.040 5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -10.429 -0.157 5.926 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -10.589 -2.370 6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -11.884 -2.234 5.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -10.692 -4.313 5.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -10.531 -3.389 3.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -9.243 -3.485 5.101 1.00 0.00 H new ATOM 540 N PRO A 222 -8.462 3.494 4.093 1.00 0.00 N ATOM 541 CA PRO A 222 -7.837 4.748 3.728 1.00 0.00 C ATOM 542 C PRO A 222 -7.486 4.729 2.240 1.00 0.00 C ATOM 543 O PRO A 222 -7.253 3.664 1.660 1.00 0.00 O ATOM 544 CB PRO A 222 -6.613 4.873 4.639 1.00 0.00 C ATOM 545 CG PRO A 222 -6.257 3.429 4.978 1.00 0.00 C ATOM 546 CD PRO A 222 -7.605 2.712 4.972 1.00 0.00 C ATOM 0 HA PRO A 222 -8.486 5.613 3.865 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -5.790 5.379 4.135 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -6.840 5.449 5.536 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -5.573 3.002 4.244 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -5.768 3.355 5.950 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -7.503 1.689 4.611 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -8.023 2.655 5.977 1.00 0.00 H new ATOM 554 N GLU A 223 -7.455 5.910 1.621 1.00 0.00 N ATOM 555 CA GLU A 223 -7.072 6.062 0.226 1.00 0.00 C ATOM 556 C GLU A 223 -5.606 5.694 0.069 1.00 0.00 C ATOM 557 O GLU A 223 -5.315 4.793 -0.699 1.00 0.00 O ATOM 558 CB GLU A 223 -7.266 7.503 -0.240 1.00 0.00 C ATOM 559 CG GLU A 223 -8.731 7.831 -0.426 1.00 0.00 C ATOM 560 CD GLU A 223 -8.891 9.248 -0.961 1.00 0.00 C ATOM 561 OE1 GLU A 223 -8.745 10.203 -0.165 1.00 0.00 O ATOM 562 OE2 GLU A 223 -9.233 9.413 -2.154 1.00 0.00 O ATOM 0 H GLU A 223 -7.697 6.789 2.079 1.00 0.00 H new ATOM 0 HA GLU A 223 -7.701 5.408 -0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -6.829 8.185 0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -6.735 7.658 -1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -9.185 7.121 -1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -9.256 7.732 0.524 1.00 0.00 H new ATOM 569 N HIS A 224 -4.688 6.368 0.764 1.00 0.00 N ATOM 570 CA HIS A 224 -3.281 5.984 0.743 1.00 0.00 C ATOM 571 C HIS A 224 -3.074 4.782 1.656 1.00 0.00 C ATOM 572 O HIS A 224 -3.484 4.817 2.818 1.00 0.00 O ATOM 573 CB HIS A 224 -2.373 7.150 1.129 1.00 0.00 C ATOM 574 CG HIS A 224 -2.323 8.198 0.056 1.00 0.00 C ATOM 575 ND1 HIS A 224 -2.902 9.444 0.101 1.00 0.00 N ATOM 576 CD2 HIS A 224 -1.694 8.069 -1.151 1.00 0.00 C ATOM 577 CE1 HIS A 224 -2.630 10.064 -1.056 1.00 0.00 C ATOM 578 NE2 HIS A 224 -1.872 9.274 -1.833 1.00 0.00 N ATOM 0 H HIS A 224 -4.896 7.180 1.346 1.00 0.00 H new ATOM 0 HA HIS A 224 -3.006 5.705 -0.274 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -2.730 7.597 2.057 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -1.366 6.778 1.321 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -1.161 7.200 -1.509 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -2.971 11.053 -1.324 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -1.496 9.510 -2.751 1.00 0.00 H new ATOM 586 N ILE A 225 -2.430 3.737 1.144 1.00 0.00 N ATOM 587 CA ILE A 225 -1.991 2.557 1.884 1.00 0.00 C ATOM 588 C ILE A 225 -0.522 2.274 1.549 1.00 0.00 C ATOM 589 O ILE A 225 -0.073 2.670 0.475 1.00 0.00 O ATOM 590 CB ILE A 225 -2.863 1.341 1.525 1.00 0.00 C ATOM 591 CG1 ILE A 225 -2.842 1.034 0.007 1.00 0.00 C ATOM 592 CG2 ILE A 225 -4.292 1.543 2.048 1.00 0.00 C ATOM 593 CD1 ILE A 225 -3.328 -0.368 -0.354 1.00 0.00 C ATOM 0 H ILE A 225 -2.188 3.687 0.154 1.00 0.00 H new ATOM 0 HA ILE A 225 -2.092 2.743 2.953 1.00 0.00 H new ATOM 0 HB ILE A 225 -2.439 0.465 2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -3.463 1.766 -0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -1.825 1.161 -0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -4.900 0.677 1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -4.270 1.659 3.132 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -4.722 2.437 1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -3.282 -0.502 -1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -2.693 -1.109 0.131 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -4.357 -0.495 -0.016 1.00 0.00 H new ATOM 605 N PRO A 226 0.244 1.582 2.403 1.00 0.00 N ATOM 606 CA PRO A 226 1.635 1.283 2.105 1.00 0.00 C ATOM 607 C PRO A 226 1.709 0.180 1.044 1.00 0.00 C ATOM 608 O PRO A 226 0.901 -0.758 1.073 1.00 0.00 O ATOM 609 CB PRO A 226 2.241 0.875 3.441 1.00 0.00 C ATOM 610 CG PRO A 226 1.066 0.270 4.209 1.00 0.00 C ATOM 611 CD PRO A 226 -0.156 1.022 3.683 1.00 0.00 C ATOM 0 HA PRO A 226 2.185 2.125 1.685 1.00 0.00 H new ATOM 0 HB2 PRO A 226 3.047 0.153 3.310 1.00 0.00 H new ATOM 0 HB3 PRO A 226 2.663 1.732 3.966 1.00 0.00 H new ATOM 0 HG2 PRO A 226 0.982 -0.802 4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 226 1.183 0.403 5.284 1.00 0.00 H new ATOM 0 HD2 PRO A 226 -1.008 0.352 3.567 1.00 0.00 H new ATOM 0 HD3 PRO A 226 -0.460 1.807 4.375 1.00 0.00 H new ATOM 619 N ASP A 227 2.665 0.319 0.120 1.00 0.00 N ATOM 620 CA ASP A 227 2.876 -0.504 -1.062 1.00 0.00 C ATOM 621 C ASP A 227 3.104 -1.969 -0.670 1.00 0.00 C ATOM 622 O ASP A 227 4.144 -2.278 -0.084 1.00 0.00 O ATOM 623 CB ASP A 227 4.067 0.074 -1.833 1.00 0.00 C ATOM 624 CG ASP A 227 4.401 -0.641 -3.145 1.00 0.00 C ATOM 625 OD1 ASP A 227 3.815 -1.706 -3.444 1.00 0.00 O ATOM 626 OD2 ASP A 227 5.233 -0.099 -3.913 1.00 0.00 O ATOM 0 H ASP A 227 3.358 1.064 0.189 1.00 0.00 H new ATOM 0 HA ASP A 227 1.993 -0.490 -1.700 1.00 0.00 H new ATOM 0 HB2 ASP A 227 3.865 1.123 -2.050 1.00 0.00 H new ATOM 0 HB3 ASP A 227 4.945 0.046 -1.188 1.00 0.00 H new ATOM 631 N PRO A 228 2.142 -2.869 -0.936 1.00 0.00 N ATOM 632 CA PRO A 228 2.249 -4.275 -0.571 1.00 0.00 C ATOM 633 C PRO A 228 3.106 -5.071 -1.559 1.00 0.00 C ATOM 634 O PRO A 228 3.525 -6.191 -1.258 1.00 0.00 O ATOM 635 CB PRO A 228 0.803 -4.774 -0.601 1.00 0.00 C ATOM 636 CG PRO A 228 0.181 -3.957 -1.729 1.00 0.00 C ATOM 637 CD PRO A 228 0.882 -2.612 -1.619 1.00 0.00 C ATOM 0 HA PRO A 228 2.734 -4.401 0.397 1.00 0.00 H new ATOM 0 HB2 PRO A 228 0.750 -5.844 -0.801 1.00 0.00 H new ATOM 0 HB3 PRO A 228 0.297 -4.601 0.349 1.00 0.00 H new ATOM 0 HG2 PRO A 228 0.351 -4.420 -2.701 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -0.898 -3.859 -1.606 1.00 0.00 H new ATOM 0 HD2 PRO A 228 1.054 -2.180 -2.605 1.00 0.00 H new ATOM 0 HD3 PRO A 228 0.274 -1.900 -1.061 1.00 0.00 H new ATOM 645 N ASP A 229 3.324 -4.526 -2.755 1.00 0.00 N ATOM 646 CA ASP A 229 4.014 -5.193 -3.845 1.00 0.00 C ATOM 647 C ASP A 229 5.520 -5.012 -3.681 1.00 0.00 C ATOM 648 O ASP A 229 6.285 -5.945 -3.947 1.00 0.00 O ATOM 649 CB ASP A 229 3.518 -4.588 -5.159 1.00 0.00 C ATOM 650 CG ASP A 229 4.222 -5.156 -6.383 1.00 0.00 C ATOM 651 OD1 ASP A 229 3.821 -6.255 -6.824 1.00 0.00 O ATOM 652 OD2 ASP A 229 5.019 -4.416 -7.006 1.00 0.00 O ATOM 0 H ASP A 229 3.015 -3.583 -2.993 1.00 0.00 H new ATOM 0 HA ASP A 229 3.808 -6.263 -3.844 1.00 0.00 H new ATOM 0 HB2 ASP A 229 2.446 -4.763 -5.250 1.00 0.00 H new ATOM 0 HB3 ASP A 229 3.664 -3.508 -5.132 1.00 0.00 H new ATOM 657 N ALA A 230 5.956 -3.843 -3.201 1.00 0.00 N ATOM 658 CA ALA A 230 7.356 -3.628 -2.879 1.00 0.00 C ATOM 659 C ALA A 230 7.618 -4.115 -1.453 1.00 0.00 C ATOM 660 O ALA A 230 6.806 -3.875 -0.561 1.00 0.00 O ATOM 661 CB ALA A 230 7.697 -2.151 -3.039 1.00 0.00 C ATOM 0 H ALA A 230 5.355 -3.037 -3.030 1.00 0.00 H new ATOM 0 HA ALA A 230 7.994 -4.192 -3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 230 8.748 -1.992 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 230 7.511 -1.844 -4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 230 7.076 -1.559 -2.366 1.00 0.00 H new ATOM 667 N LYS A 231 8.763 -4.764 -1.213 1.00 0.00 N ATOM 668 CA LYS A 231 9.160 -5.262 0.115 1.00 0.00 C ATOM 669 C LYS A 231 10.646 -5.061 0.402 1.00 0.00 C ATOM 670 O LYS A 231 11.286 -5.908 1.024 1.00 0.00 O ATOM 671 CB LYS A 231 8.651 -6.706 0.321 1.00 0.00 C ATOM 672 CG LYS A 231 9.277 -7.778 -0.584 1.00 0.00 C ATOM 673 CD LYS A 231 10.425 -8.549 0.084 1.00 0.00 C ATOM 674 CE LYS A 231 10.168 -10.047 0.018 1.00 0.00 C ATOM 675 NZ LYS A 231 10.323 -10.583 -1.343 1.00 0.00 N ATOM 0 H LYS A 231 9.449 -4.962 -1.941 1.00 0.00 H new ATOM 0 HA LYS A 231 8.670 -4.653 0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 231 8.828 -6.987 1.359 1.00 0.00 H new ATOM 0 HB3 LYS A 231 7.572 -6.715 0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 231 8.503 -8.484 -0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 231 9.649 -7.304 -1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 231 11.367 -8.313 -0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 231 10.525 -8.236 1.123 1.00 0.00 H new ATOM 0 HE2 LYS A 231 10.857 -10.561 0.689 1.00 0.00 H new ATOM 0 HE3 LYS A 231 9.160 -10.256 0.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 10.138 -11.606 -1.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 9.648 -10.113 -1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 11.293 -10.409 -1.676 1.00 0.00 H new ATOM 689 N LYS A 232 11.208 -3.952 -0.089 1.00 0.00 N ATOM 690 CA LYS A 232 12.610 -3.667 -0.300 1.00 0.00 C ATOM 691 C LYS A 232 13.058 -4.508 -1.493 1.00 0.00 C ATOM 692 O LYS A 232 12.732 -5.700 -1.567 1.00 0.00 O ATOM 693 CB LYS A 232 13.441 -3.839 0.973 1.00 0.00 C ATOM 694 CG LYS A 232 14.895 -3.386 0.807 1.00 0.00 C ATOM 695 CD LYS A 232 15.680 -3.329 2.121 1.00 0.00 C ATOM 696 CE LYS A 232 15.980 -4.673 2.786 1.00 0.00 C ATOM 697 NZ LYS A 232 14.834 -5.171 3.574 1.00 0.00 N ATOM 0 H LYS A 232 10.627 -3.163 -0.372 1.00 0.00 H new ATOM 0 HA LYS A 232 12.772 -2.616 -0.540 1.00 0.00 H new ATOM 0 HB2 LYS A 232 12.980 -3.271 1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 232 13.425 -4.887 1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 232 15.401 -4.066 0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 232 14.907 -2.399 0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 232 16.626 -2.821 1.933 1.00 0.00 H new ATOM 0 HD3 LYS A 232 15.122 -2.714 2.827 1.00 0.00 H new ATOM 0 HE2 LYS A 232 16.239 -5.405 2.022 1.00 0.00 H new ATOM 0 HE3 LYS A 232 16.849 -4.569 3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 15.178 -5.582 4.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 14.188 -4.383 3.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 14.329 -5.899 3.030 1.00 0.00 H new ATOM 711 N PRO A 233 13.716 -3.892 -2.484 1.00 0.00 N ATOM 712 CA PRO A 233 14.296 -4.638 -3.588 1.00 0.00 C ATOM 713 C PRO A 233 15.321 -5.640 -3.044 1.00 0.00 C ATOM 714 O PRO A 233 15.898 -5.447 -1.969 1.00 0.00 O ATOM 715 CB PRO A 233 14.915 -3.598 -4.523 1.00 0.00 C ATOM 716 CG PRO A 233 14.791 -2.242 -3.823 1.00 0.00 C ATOM 717 CD PRO A 233 13.957 -2.464 -2.582 1.00 0.00 C ATOM 0 HA PRO A 233 13.561 -5.227 -4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 233 15.960 -3.834 -4.726 1.00 0.00 H new ATOM 0 HB3 PRO A 233 14.399 -3.586 -5.483 1.00 0.00 H new ATOM 0 HG2 PRO A 233 15.774 -1.850 -3.563 1.00 0.00 H new ATOM 0 HG3 PRO A 233 14.320 -1.510 -4.479 1.00 0.00 H new ATOM 0 HD2 PRO A 233 14.478 -2.099 -1.697 1.00 0.00 H new ATOM 0 HD3 PRO A 233 13.016 -1.917 -2.646 1.00 0.00 H new ATOM 725 N GLU A 234 15.595 -6.701 -3.790 1.00 0.00 N ATOM 726 CA GLU A 234 16.749 -7.555 -3.556 1.00 0.00 C ATOM 727 C GLU A 234 18.041 -6.750 -3.752 1.00 0.00 C ATOM 728 O GLU A 234 19.042 -7.005 -3.087 1.00 0.00 O ATOM 729 CB GLU A 234 16.678 -8.747 -4.518 1.00 0.00 C ATOM 730 CG GLU A 234 17.030 -10.075 -3.832 1.00 0.00 C ATOM 731 CD GLU A 234 15.859 -10.655 -3.038 1.00 0.00 C ATOM 732 OE1 GLU A 234 15.295 -9.952 -2.165 1.00 0.00 O ATOM 733 OE2 GLU A 234 15.466 -11.824 -3.275 1.00 0.00 O ATOM 0 H GLU A 234 15.019 -6.994 -4.579 1.00 0.00 H new ATOM 0 HA GLU A 234 16.747 -7.929 -2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 234 15.674 -8.813 -4.937 1.00 0.00 H new ATOM 0 HB3 GLU A 234 17.361 -8.579 -5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 234 17.346 -10.796 -4.586 1.00 0.00 H new ATOM 0 HG3 GLU A 234 17.877 -9.921 -3.163 1.00 0.00 H new ATOM 740 N ASP A 235 17.965 -5.728 -4.609 1.00 0.00 N ATOM 741 CA ASP A 235 19.064 -4.918 -5.117 1.00 0.00 C ATOM 742 C ASP A 235 19.244 -3.642 -4.276 1.00 0.00 C ATOM 743 O ASP A 235 19.925 -2.715 -4.712 1.00 0.00 O ATOM 744 CB ASP A 235 18.781 -4.537 -6.593 1.00 0.00 C ATOM 745 CG ASP A 235 18.390 -5.696 -7.506 1.00 0.00 C ATOM 746 OD1 ASP A 235 17.187 -6.052 -7.468 1.00 0.00 O ATOM 747 OD2 ASP A 235 19.256 -6.242 -8.218 1.00 0.00 O ATOM 0 H ASP A 235 17.068 -5.428 -4.990 1.00 0.00 H new ATOM 0 HA ASP A 235 19.983 -5.500 -5.053 1.00 0.00 H new ATOM 0 HB2 ASP A 235 17.982 -3.796 -6.612 1.00 0.00 H new ATOM 0 HB3 ASP A 235 19.670 -4.058 -7.003 1.00 0.00 H new ATOM 752 N TRP A 236 18.568 -3.519 -3.124 1.00 0.00 N ATOM 753 CA TRP A 236 18.774 -2.386 -2.218 1.00 0.00 C ATOM 754 C TRP A 236 20.153 -2.464 -1.542 1.00 0.00 C ATOM 755 O TRP A 236 20.741 -3.543 -1.423 1.00 0.00 O ATOM 756 CB TRP A 236 17.677 -2.343 -1.146 1.00 0.00 C ATOM 757 CG TRP A 236 17.616 -1.075 -0.340 1.00 0.00 C ATOM 758 CD1 TRP A 236 18.105 -0.889 0.912 1.00 0.00 C ATOM 759 CD2 TRP A 236 17.082 0.220 -0.752 1.00 0.00 C ATOM 760 NE1 TRP A 236 17.870 0.414 1.309 1.00 0.00 N ATOM 761 CE2 TRP A 236 17.257 1.143 0.317 1.00 0.00 C ATOM 762 CE3 TRP A 236 16.476 0.705 -1.927 1.00 0.00 C ATOM 763 CZ2 TRP A 236 16.853 2.481 0.220 1.00 0.00 C ATOM 764 CZ3 TRP A 236 16.051 2.041 -2.030 1.00 0.00 C ATOM 765 CH2 TRP A 236 16.247 2.933 -0.962 1.00 0.00 C ATOM 0 H TRP A 236 17.874 -4.193 -2.800 1.00 0.00 H new ATOM 0 HA TRP A 236 18.727 -1.474 -2.814 1.00 0.00 H new ATOM 0 HB2 TRP A 236 16.712 -2.493 -1.631 1.00 0.00 H new ATOM 0 HB3 TRP A 236 17.825 -3.181 -0.464 1.00 0.00 H new ATOM 0 HD1 TRP A 236 18.601 -1.642 1.506 1.00 0.00 H new ATOM 0 HE1 TRP A 236 18.120 0.788 2.224 1.00 0.00 H new ATOM 0 HE3 TRP A 236 16.335 0.038 -2.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 17.007 3.158 1.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 15.571 2.384 -2.935 1.00 0.00 H new ATOM 0 HH2 TRP A 236 15.932 3.962 -1.051 1.00 0.00 H new ATOM 776 N ASP A 237 20.608 -1.322 -1.008 1.00 0.00 N ATOM 777 CA ASP A 237 21.842 -1.207 -0.235 1.00 0.00 C ATOM 778 C ASP A 237 21.619 -0.165 0.865 1.00 0.00 C ATOM 779 O ASP A 237 21.539 1.042 0.609 1.00 0.00 O ATOM 780 CB ASP A 237 23.021 -0.838 -1.141 1.00 0.00 C ATOM 781 CG ASP A 237 24.362 -0.830 -0.393 1.00 0.00 C ATOM 782 OD1 ASP A 237 24.366 -0.719 0.855 1.00 0.00 O ATOM 783 OD2 ASP A 237 25.398 -0.913 -1.085 1.00 0.00 O ATOM 0 H ASP A 237 20.114 -0.435 -1.107 1.00 0.00 H new ATOM 0 HA ASP A 237 22.093 -2.164 0.222 1.00 0.00 H new ATOM 0 HB2 ASP A 237 23.075 -1.547 -1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 237 22.846 0.146 -1.576 1.00 0.00 H new ATOM 788 N GLU A 238 21.457 -0.643 2.099 1.00 0.00 N ATOM 789 CA GLU A 238 21.204 0.183 3.280 1.00 0.00 C ATOM 790 C GLU A 238 22.427 0.968 3.751 1.00 0.00 C ATOM 791 O GLU A 238 22.297 1.888 4.559 1.00 0.00 O ATOM 792 CB GLU A 238 20.686 -0.701 4.434 1.00 0.00 C ATOM 793 CG GLU A 238 19.181 -0.588 4.668 1.00 0.00 C ATOM 794 CD GLU A 238 18.518 -1.883 5.153 1.00 0.00 C ATOM 795 OE1 GLU A 238 19.062 -2.571 6.051 1.00 0.00 O ATOM 796 OE2 GLU A 238 17.429 -2.218 4.635 1.00 0.00 O ATOM 0 H GLU A 238 21.499 -1.640 2.310 1.00 0.00 H new ATOM 0 HA GLU A 238 20.453 0.917 2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 238 20.934 -1.741 4.223 1.00 0.00 H new ATOM 0 HB3 GLU A 238 21.209 -0.429 5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 238 18.997 0.197 5.402 1.00 0.00 H new ATOM 0 HG3 GLU A 238 18.703 -0.275 3.740 1.00 0.00 H new ATOM 803 N GLU A 239 23.610 0.650 3.248 1.00 0.00 N ATOM 804 CA GLU A 239 24.836 1.362 3.596 1.00 0.00 C ATOM 805 C GLU A 239 25.149 2.415 2.519 1.00 0.00 C ATOM 806 O GLU A 239 25.986 3.293 2.738 1.00 0.00 O ATOM 807 CB GLU A 239 25.982 0.365 3.829 1.00 0.00 C ATOM 808 CG GLU A 239 25.577 -0.791 4.765 1.00 0.00 C ATOM 809 CD GLU A 239 25.325 -0.432 6.239 1.00 0.00 C ATOM 810 OE1 GLU A 239 25.309 0.766 6.604 1.00 0.00 O ATOM 811 OE2 GLU A 239 25.096 -1.397 7.010 1.00 0.00 O ATOM 0 H GLU A 239 23.750 -0.112 2.584 1.00 0.00 H new ATOM 0 HA GLU A 239 24.706 1.901 4.534 1.00 0.00 H new ATOM 0 HB2 GLU A 239 26.305 -0.043 2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 239 26.836 0.891 4.255 1.00 0.00 H new ATOM 0 HG2 GLU A 239 24.672 -1.249 4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 239 26.360 -1.548 4.729 1.00 0.00 H new ATOM 818 N MET A 240 24.424 2.375 1.390 1.00 0.00 N ATOM 819 CA MET A 240 24.563 3.304 0.274 1.00 0.00 C ATOM 820 C MET A 240 23.464 4.359 0.364 1.00 0.00 C ATOM 821 O MET A 240 23.754 5.554 0.403 1.00 0.00 O ATOM 822 CB MET A 240 24.494 2.524 -1.049 1.00 0.00 C ATOM 823 CG MET A 240 24.736 3.397 -2.283 1.00 0.00 C ATOM 824 SD MET A 240 26.383 4.148 -2.418 1.00 0.00 S ATOM 825 CE MET A 240 26.180 5.051 -3.974 1.00 0.00 C ATOM 0 H MET A 240 23.704 1.670 1.231 1.00 0.00 H new ATOM 0 HA MET A 240 25.527 3.811 0.315 1.00 0.00 H new ATOM 0 HB2 MET A 240 25.233 1.723 -1.029 1.00 0.00 H new ATOM 0 HB3 MET A 240 23.515 2.052 -1.133 1.00 0.00 H new ATOM 0 HG2 MET A 240 24.561 2.791 -3.172 1.00 0.00 H new ATOM 0 HG3 MET A 240 23.993 4.195 -2.290 1.00 0.00 H new ATOM 0 HE1 MET A 240 27.105 5.576 -4.213 1.00 0.00 H new ATOM 0 HE2 MET A 240 25.944 4.349 -4.774 1.00 0.00 H new ATOM 0 HE3 MET A 240 25.369 5.772 -3.873 1.00 0.00 H new ATOM 835 N ASP A 241 22.199 3.929 0.385 1.00 0.00 N ATOM 836 CA ASP A 241 21.051 4.842 0.352 1.00 0.00 C ATOM 837 C ASP A 241 20.481 5.029 1.762 1.00 0.00 C ATOM 838 O ASP A 241 19.973 6.101 2.095 1.00 0.00 O ATOM 839 CB ASP A 241 19.991 4.321 -0.637 1.00 0.00 C ATOM 840 CG ASP A 241 19.156 5.450 -1.255 1.00 0.00 C ATOM 841 OD1 ASP A 241 18.127 5.866 -0.673 1.00 0.00 O ATOM 842 OD2 ASP A 241 19.511 5.908 -2.368 1.00 0.00 O ATOM 0 H ASP A 241 21.942 2.943 0.425 1.00 0.00 H new ATOM 0 HA ASP A 241 21.375 5.822 0.001 1.00 0.00 H new ATOM 0 HB2 ASP A 241 20.485 3.762 -1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 241 19.329 3.625 -0.121 1.00 0.00 H new ATOM 847 N GLY A 242 20.645 4.037 2.642 1.00 0.00 N ATOM 848 CA GLY A 242 20.046 3.988 3.976 1.00 0.00 C ATOM 849 C GLY A 242 18.842 3.071 3.987 1.00 0.00 C ATOM 850 O GLY A 242 18.583 2.387 3.007 1.00 0.00 O ATOM 0 H GLY A 242 21.218 3.219 2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 242 20.783 3.638 4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 242 19.749 4.990 4.284 1.00 0.00 H new ATOM 854 N GLU A 243 18.135 2.994 5.106 1.00 0.00 N ATOM 855 CA GLU A 243 16.972 2.153 5.307 1.00 0.00 C ATOM 856 C GLU A 243 15.958 2.336 4.178 1.00 0.00 C ATOM 857 O GLU A 243 15.647 3.462 3.786 1.00 0.00 O ATOM 858 CB GLU A 243 16.367 2.570 6.636 1.00 0.00 C ATOM 859 CG GLU A 243 15.316 1.599 7.173 1.00 0.00 C ATOM 860 CD GLU A 243 15.877 0.312 7.783 1.00 0.00 C ATOM 861 OE1 GLU A 243 17.108 0.156 7.951 1.00 0.00 O ATOM 862 OE2 GLU A 243 15.053 -0.577 8.106 1.00 0.00 O ATOM 0 H GLU A 243 18.370 3.542 5.933 1.00 0.00 H new ATOM 0 HA GLU A 243 17.252 1.100 5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 243 17.165 2.669 7.372 1.00 0.00 H new ATOM 0 HB3 GLU A 243 15.913 3.555 6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 243 14.721 2.112 7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 243 14.639 1.334 6.361 1.00 0.00 H new ATOM 869 N TRP A 244 15.420 1.234 3.670 1.00 0.00 N ATOM 870 CA TRP A 244 14.355 1.296 2.677 1.00 0.00 C ATOM 871 C TRP A 244 13.049 1.760 3.333 1.00 0.00 C ATOM 872 O TRP A 244 12.826 1.502 4.519 1.00 0.00 O ATOM 873 CB TRP A 244 14.178 -0.088 2.054 1.00 0.00 C ATOM 874 CG TRP A 244 13.133 -0.159 0.990 1.00 0.00 C ATOM 875 CD1 TRP A 244 13.246 0.376 -0.242 1.00 0.00 C ATOM 876 CD2 TRP A 244 11.785 -0.707 1.067 1.00 0.00 C ATOM 877 NE1 TRP A 244 12.070 0.197 -0.935 1.00 0.00 N ATOM 878 CE2 TRP A 244 11.131 -0.472 -0.178 1.00 0.00 C ATOM 879 CE3 TRP A 244 11.048 -1.371 2.069 1.00 0.00 C ATOM 880 CZ2 TRP A 244 9.812 -0.888 -0.408 1.00 0.00 C ATOM 881 CZ3 TRP A 244 9.737 -1.819 1.836 1.00 0.00 C ATOM 882 CH2 TRP A 244 9.127 -1.591 0.593 1.00 0.00 C ATOM 0 H TRP A 244 15.703 0.289 3.929 1.00 0.00 H new ATOM 0 HA TRP A 244 14.618 2.012 1.899 1.00 0.00 H new ATOM 0 HB2 TRP A 244 15.131 -0.407 1.632 1.00 0.00 H new ATOM 0 HB3 TRP A 244 13.925 -0.798 2.842 1.00 0.00 H new ATOM 0 HD1 TRP A 244 14.126 0.870 -0.627 1.00 0.00 H new ATOM 0 HE1 TRP A 244 11.913 0.519 -1.890 1.00 0.00 H new ATOM 0 HE3 TRP A 244 11.500 -1.539 3.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 9.328 -0.669 -1.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 9.198 -2.339 2.614 1.00 0.00 H new ATOM 0 HH2 TRP A 244 8.128 -1.958 0.407 1.00 0.00 H new ATOM 893 N GLU A 245 12.126 2.320 2.549 1.00 0.00 N ATOM 894 CA GLU A 245 10.726 2.445 2.904 1.00 0.00 C ATOM 895 C GLU A 245 9.892 2.225 1.633 1.00 0.00 C ATOM 896 O GLU A 245 10.316 2.660 0.555 1.00 0.00 O ATOM 897 CB GLU A 245 10.457 3.813 3.553 1.00 0.00 C ATOM 898 CG GLU A 245 10.370 4.981 2.554 1.00 0.00 C ATOM 899 CD GLU A 245 10.234 6.343 3.237 1.00 0.00 C ATOM 900 OE1 GLU A 245 11.044 6.671 4.133 1.00 0.00 O ATOM 901 OE2 GLU A 245 9.324 7.130 2.882 1.00 0.00 O ATOM 0 H GLU A 245 12.344 2.706 1.630 1.00 0.00 H new ATOM 0 HA GLU A 245 10.444 1.695 3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 245 9.524 3.759 4.113 1.00 0.00 H new ATOM 0 HB3 GLU A 245 11.249 4.023 4.272 1.00 0.00 H new ATOM 0 HG2 GLU A 245 11.262 4.983 1.927 1.00 0.00 H new ATOM 0 HG3 GLU A 245 9.517 4.825 1.894 1.00 0.00 H new ATOM 908 N PRO A 246 8.709 1.600 1.733 1.00 0.00 N ATOM 909 CA PRO A 246 7.727 1.578 0.658 1.00 0.00 C ATOM 910 C PRO A 246 7.096 2.964 0.473 1.00 0.00 C ATOM 911 O PRO A 246 6.954 3.700 1.457 1.00 0.00 O ATOM 912 CB PRO A 246 6.648 0.579 1.094 1.00 0.00 C ATOM 913 CG PRO A 246 6.928 0.253 2.566 1.00 0.00 C ATOM 914 CD PRO A 246 8.171 1.037 2.953 1.00 0.00 C ATOM 0 HA PRO A 246 8.189 1.298 -0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 246 5.652 1.006 0.974 1.00 0.00 H new ATOM 0 HB3 PRO A 246 6.684 -0.323 0.483 1.00 0.00 H new ATOM 0 HG2 PRO A 246 6.082 0.533 3.193 1.00 0.00 H new ATOM 0 HG3 PRO A 246 7.086 -0.817 2.703 1.00 0.00 H new ATOM 0 HD2 PRO A 246 7.925 1.824 3.666 1.00 0.00 H new ATOM 0 HD3 PRO A 246 8.903 0.388 3.434 1.00 0.00 H new ATOM 922 N PRO A 247 6.591 3.291 -0.730 1.00 0.00 N ATOM 923 CA PRO A 247 5.721 4.442 -0.921 1.00 0.00 C ATOM 924 C PRO A 247 4.332 4.182 -0.312 1.00 0.00 C ATOM 925 O PRO A 247 4.075 3.139 0.307 1.00 0.00 O ATOM 926 CB PRO A 247 5.697 4.664 -2.439 1.00 0.00 C ATOM 927 CG PRO A 247 5.848 3.254 -3.004 1.00 0.00 C ATOM 928 CD PRO A 247 6.746 2.556 -1.979 1.00 0.00 C ATOM 0 HA PRO A 247 6.074 5.339 -0.412 1.00 0.00 H new ATOM 0 HB2 PRO A 247 4.766 5.129 -2.763 1.00 0.00 H new ATOM 0 HB3 PRO A 247 6.508 5.316 -2.763 1.00 0.00 H new ATOM 0 HG2 PRO A 247 4.884 2.754 -3.100 1.00 0.00 H new ATOM 0 HG3 PRO A 247 6.302 3.265 -3.995 1.00 0.00 H new ATOM 0 HD2 PRO A 247 6.456 1.513 -1.855 1.00 0.00 H new ATOM 0 HD3 PRO A 247 7.786 2.561 -2.306 1.00 0.00 H new ATOM 936 N VAL A 248 3.420 5.139 -0.486 1.00 0.00 N ATOM 937 CA VAL A 248 2.030 5.042 -0.066 1.00 0.00 C ATOM 938 C VAL A 248 1.195 5.241 -1.330 1.00 0.00 C ATOM 939 O VAL A 248 1.259 6.303 -1.951 1.00 0.00 O ATOM 940 CB VAL A 248 1.678 6.050 1.057 1.00 0.00 C ATOM 941 CG1 VAL A 248 0.832 5.375 2.145 1.00 0.00 C ATOM 942 CG2 VAL A 248 2.878 6.677 1.776 1.00 0.00 C ATOM 0 H VAL A 248 3.639 6.027 -0.937 1.00 0.00 H new ATOM 0 HA VAL A 248 1.822 4.071 0.382 1.00 0.00 H new ATOM 0 HB VAL A 248 1.145 6.842 0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 248 0.596 6.100 2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 248 -0.092 4.999 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 248 1.391 4.546 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 248 2.523 7.366 2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 248 3.474 5.892 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 248 3.491 7.219 1.056 1.00 0.00 H new ATOM 952 N ILE A 249 0.477 4.205 -1.754 1.00 0.00 N ATOM 953 CA ILE A 249 -0.206 4.112 -3.039 1.00 0.00 C ATOM 954 C ILE A 249 -1.713 4.246 -2.831 1.00 0.00 C ATOM 955 O ILE A 249 -2.204 4.031 -1.719 1.00 0.00 O ATOM 956 CB ILE A 249 0.179 2.787 -3.744 1.00 0.00 C ATOM 957 CG1 ILE A 249 -0.391 1.538 -3.033 1.00 0.00 C ATOM 958 CG2 ILE A 249 1.714 2.702 -3.867 1.00 0.00 C ATOM 959 CD1 ILE A 249 -0.282 0.249 -3.858 1.00 0.00 C ATOM 0 H ILE A 249 0.350 3.369 -1.184 1.00 0.00 H new ATOM 0 HA ILE A 249 0.107 4.928 -3.691 1.00 0.00 H new ATOM 0 HB ILE A 249 -0.271 2.796 -4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 249 0.134 1.399 -2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -1.439 1.716 -2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 249 1.988 1.771 -4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 249 2.079 3.546 -4.452 1.00 0.00 H new ATOM 0 HG23 ILE A 249 2.161 2.729 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -0.703 -0.582 -3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -0.832 0.367 -4.792 1.00 0.00 H new ATOM 0 HD13 ILE A 249 0.766 0.045 -4.077 1.00 0.00 H new ATOM 971 N GLN A 250 -2.456 4.559 -3.892 1.00 0.00 N ATOM 972 CA GLN A 250 -3.910 4.658 -3.822 1.00 0.00 C ATOM 973 C GLN A 250 -4.487 3.237 -3.765 1.00 0.00 C ATOM 974 O GLN A 250 -4.345 2.466 -4.714 1.00 0.00 O ATOM 975 CB GLN A 250 -4.474 5.489 -4.993 1.00 0.00 C ATOM 976 CG GLN A 250 -5.871 6.085 -4.704 1.00 0.00 C ATOM 977 CD GLN A 250 -7.014 5.078 -4.791 1.00 0.00 C ATOM 978 OE1 GLN A 250 -7.491 4.739 -5.870 1.00 0.00 O ATOM 979 NE2 GLN A 250 -7.495 4.567 -3.672 1.00 0.00 N ATOM 0 H GLN A 250 -2.069 4.749 -4.816 1.00 0.00 H new ATOM 0 HA GLN A 250 -4.209 5.191 -2.920 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -3.781 6.299 -5.221 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -4.532 4.860 -5.881 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -5.866 6.526 -3.707 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -6.061 6.894 -5.409 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -7.101 4.846 -2.773 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -8.260 3.893 -3.707 1.00 0.00 H new ATOM 988 N ASN A 251 -5.171 2.922 -2.665 1.00 0.00 N ATOM 989 CA ASN A 251 -5.849 1.684 -2.313 1.00 0.00 C ATOM 990 C ASN A 251 -6.590 1.111 -3.521 1.00 0.00 C ATOM 991 O ASN A 251 -7.627 1.668 -3.894 1.00 0.00 O ATOM 992 CB ASN A 251 -6.807 1.956 -1.143 1.00 0.00 C ATOM 993 CG ASN A 251 -7.307 0.702 -0.459 1.00 0.00 C ATOM 994 OD1 ASN A 251 -7.594 -0.300 -1.102 1.00 0.00 O ATOM 995 ND2 ASN A 251 -7.437 0.761 0.853 1.00 0.00 N ATOM 0 H ASN A 251 -5.272 3.609 -1.918 1.00 0.00 H new ATOM 0 HA ASN A 251 -5.116 0.939 -2.004 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -6.300 2.582 -0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -7.662 2.524 -1.510 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -7.787 -0.047 1.368 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -7.187 1.615 1.352 1.00 0.00 H new ATOM 1002 N PRO A 252 -6.072 0.044 -4.151 1.00 0.00 N ATOM 1003 CA PRO A 252 -6.674 -0.535 -5.343 1.00 0.00 C ATOM 1004 C PRO A 252 -8.023 -1.192 -5.017 1.00 0.00 C ATOM 1005 O PRO A 252 -8.816 -1.481 -5.921 1.00 0.00 O ATOM 1006 CB PRO A 252 -5.638 -1.535 -5.862 1.00 0.00 C ATOM 1007 CG PRO A 252 -4.844 -1.935 -4.624 1.00 0.00 C ATOM 1008 CD PRO A 252 -4.886 -0.695 -3.750 1.00 0.00 C ATOM 0 HA PRO A 252 -6.906 0.213 -6.101 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -6.116 -2.399 -6.324 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -4.995 -1.085 -6.618 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -5.291 -2.793 -4.122 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -3.820 -2.211 -4.877 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -4.933 -0.964 -2.695 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -3.988 -0.093 -3.885 1.00 0.00 H new ATOM 1016 N GLU A 253 -8.304 -1.419 -3.731 1.00 0.00 N ATOM 1017 CA GLU A 253 -9.515 -2.006 -3.217 1.00 0.00 C ATOM 1018 C GLU A 253 -10.570 -0.918 -2.976 1.00 0.00 C ATOM 1019 O GLU A 253 -11.640 -1.040 -3.571 1.00 0.00 O ATOM 1020 CB GLU A 253 -9.152 -2.829 -1.958 1.00 0.00 C ATOM 1021 CG GLU A 253 -9.846 -4.185 -2.002 1.00 0.00 C ATOM 1022 CD GLU A 253 -9.261 -5.196 -1.004 1.00 0.00 C ATOM 1023 OE1 GLU A 253 -9.369 -4.964 0.223 1.00 0.00 O ATOM 1024 OE2 GLU A 253 -8.786 -6.266 -1.473 1.00 0.00 O ATOM 0 H GLU A 253 -7.646 -1.179 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 253 -9.968 -2.690 -3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -8.072 -2.966 -1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -9.451 -2.287 -1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -10.907 -4.050 -1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -9.769 -4.593 -3.010 1.00 0.00 H new ATOM 1031 N TYR A 254 -10.283 0.080 -2.113 1.00 0.00 N ATOM 1032 CA TYR A 254 -11.125 1.218 -1.673 1.00 0.00 C ATOM 1033 C TYR A 254 -12.647 0.982 -1.786 1.00 0.00 C ATOM 1034 O TYR A 254 -13.234 1.087 -2.865 1.00 0.00 O ATOM 1035 CB TYR A 254 -10.697 2.555 -2.316 1.00 0.00 C ATOM 1036 CG TYR A 254 -11.269 3.749 -1.571 1.00 0.00 C ATOM 1037 CD1 TYR A 254 -12.579 4.230 -1.809 1.00 0.00 C ATOM 1038 CD2 TYR A 254 -10.491 4.316 -0.546 1.00 0.00 C ATOM 1039 CE1 TYR A 254 -13.130 5.248 -0.995 1.00 0.00 C ATOM 1040 CE2 TYR A 254 -10.999 5.375 0.216 1.00 0.00 C ATOM 1041 CZ TYR A 254 -12.317 5.832 0.008 1.00 0.00 C ATOM 1042 OH TYR A 254 -12.796 6.779 0.851 1.00 0.00 O ATOM 0 H TYR A 254 -9.369 0.114 -1.662 1.00 0.00 H new ATOM 0 HA TYR A 254 -10.934 1.292 -0.602 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -9.609 2.621 -2.327 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -11.029 2.582 -3.354 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -13.163 3.817 -2.618 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -9.501 3.934 -0.346 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -14.150 5.573 -1.135 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -10.379 5.844 0.966 1.00 0.00 H new ATOM 0 HH TYR A 254 -12.087 7.056 1.469 1.00 0.00 H new ATOM 1052 N LYS A 255 -13.332 0.703 -0.666 1.00 0.00 N ATOM 1053 CA LYS A 255 -14.737 0.254 -0.653 1.00 0.00 C ATOM 1054 C LYS A 255 -15.763 1.282 -1.141 1.00 0.00 C ATOM 1055 O LYS A 255 -16.941 0.937 -1.265 1.00 0.00 O ATOM 1056 CB LYS A 255 -15.188 -0.190 0.739 1.00 0.00 C ATOM 1057 CG LYS A 255 -14.359 -1.312 1.356 1.00 0.00 C ATOM 1058 CD LYS A 255 -15.069 -1.846 2.599 1.00 0.00 C ATOM 1059 CE LYS A 255 -14.118 -2.793 3.329 1.00 0.00 C ATOM 1060 NZ LYS A 255 -14.691 -3.343 4.572 1.00 0.00 N ATOM 0 H LYS A 255 -12.924 0.783 0.266 1.00 0.00 H new ATOM 0 HA LYS A 255 -14.722 -0.576 -1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -15.160 0.672 1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -16.227 -0.515 0.682 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -14.218 -2.114 0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -13.368 -0.943 1.621 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -15.360 -1.023 3.252 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -15.983 -2.369 2.318 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -13.851 -3.615 2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -13.196 -2.262 3.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -13.925 -3.563 5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -15.332 -2.643 4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -15.221 -4.211 4.355 1.00 0.00 H new ATOM 1074 N GLY A 256 -15.355 2.522 -1.405 1.00 0.00 N ATOM 1075 CA GLY A 256 -15.961 3.736 -0.881 1.00 0.00 C ATOM 1076 C GLY A 256 -17.408 3.632 -0.445 1.00 0.00 C ATOM 1077 O GLY A 256 -17.663 3.672 0.765 1.00 0.00 O ATOM 0 H GLY A 256 -14.560 2.712 -2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -15.371 4.072 -0.029 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -15.889 4.511 -1.644 1.00 0.00 H new ATOM 1081 N GLU A 257 -18.350 3.571 -1.389 1.00 0.00 N ATOM 1082 CA GLU A 257 -19.748 3.736 -1.029 1.00 0.00 C ATOM 1083 C GLU A 257 -20.204 2.589 -0.119 1.00 0.00 C ATOM 1084 O GLU A 257 -20.197 1.435 -0.543 1.00 0.00 O ATOM 1085 CB GLU A 257 -20.676 3.777 -2.264 1.00 0.00 C ATOM 1086 CG GLU A 257 -21.403 5.105 -2.487 1.00 0.00 C ATOM 1087 CD GLU A 257 -20.514 6.341 -2.426 1.00 0.00 C ATOM 1088 OE1 GLU A 257 -19.535 6.421 -3.195 1.00 0.00 O ATOM 1089 OE2 GLU A 257 -20.820 7.232 -1.594 1.00 0.00 O ATOM 0 H GLU A 257 -18.172 3.413 -2.381 1.00 0.00 H new ATOM 0 HA GLU A 257 -19.822 4.692 -0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -20.084 3.551 -3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -21.419 2.986 -2.167 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -21.893 5.075 -3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -22.188 5.203 -1.738 1.00 0.00 H new ATOM 1096 N TRP A 258 -20.605 2.884 1.113 1.00 0.00 N ATOM 1097 CA TRP A 258 -21.210 1.913 2.022 1.00 0.00 C ATOM 1098 C TRP A 258 -22.651 1.641 1.623 1.00 0.00 C ATOM 1099 O TRP A 258 -23.261 2.385 0.844 1.00 0.00 O ATOM 1100 CB TRP A 258 -21.074 2.464 3.447 1.00 0.00 C ATOM 1101 CG TRP A 258 -22.015 2.009 4.515 1.00 0.00 C ATOM 1102 CD1 TRP A 258 -21.764 1.118 5.499 1.00 0.00 C ATOM 1103 CD2 TRP A 258 -23.396 2.428 4.699 1.00 0.00 C ATOM 1104 NE1 TRP A 258 -22.888 0.993 6.292 1.00 0.00 N ATOM 1105 CE2 TRP A 258 -23.941 1.732 5.810 1.00 0.00 C ATOM 1106 CE3 TRP A 258 -24.266 3.266 3.978 1.00 0.00 C ATOM 1107 CZ2 TRP A 258 -25.282 1.867 6.200 1.00 0.00 C ATOM 1108 CZ3 TRP A 258 -25.619 3.375 4.331 1.00 0.00 C ATOM 1109 CH2 TRP A 258 -26.129 2.706 5.458 1.00 0.00 C ATOM 0 H TRP A 258 -20.518 3.817 1.515 1.00 0.00 H new ATOM 0 HA TRP A 258 -20.702 0.950 1.971 1.00 0.00 H new ATOM 0 HB2 TRP A 258 -20.063 2.238 3.787 1.00 0.00 H new ATOM 0 HB3 TRP A 258 -21.154 3.549 3.384 1.00 0.00 H new ATOM 0 HD1 TRP A 258 -20.834 0.588 5.643 1.00 0.00 H new ATOM 0 HE1 TRP A 258 -22.931 0.420 7.135 1.00 0.00 H new ATOM 0 HE3 TRP A 258 -23.887 3.833 3.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 258 -25.658 1.332 7.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 258 -26.279 3.982 3.729 1.00 0.00 H new ATOM 0 HH2 TRP A 258 -27.161 2.836 5.750 1.00 0.00 H new ATOM 1120 N LYS A 259 -23.191 0.559 2.177 1.00 0.00 N ATOM 1121 CA LYS A 259 -24.575 0.148 2.097 1.00 0.00 C ATOM 1122 C LYS A 259 -24.887 -0.560 3.422 1.00 0.00 C ATOM 1123 O LYS A 259 -23.966 -1.107 4.021 1.00 0.00 O ATOM 1124 CB LYS A 259 -24.759 -0.810 0.912 1.00 0.00 C ATOM 1125 CG LYS A 259 -24.151 -0.335 -0.415 1.00 0.00 C ATOM 1126 CD LYS A 259 -24.450 -1.289 -1.580 1.00 0.00 C ATOM 1127 CE LYS A 259 -25.665 -0.832 -2.392 1.00 0.00 C ATOM 1128 NZ LYS A 259 -25.525 -1.135 -3.833 1.00 0.00 N ATOM 0 H LYS A 259 -22.630 -0.091 2.728 1.00 0.00 H new ATOM 0 HA LYS A 259 -25.244 0.994 1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 259 -24.317 -1.772 1.172 1.00 0.00 H new ATOM 0 HB3 LYS A 259 -25.826 -0.979 0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 259 -24.539 0.655 -0.653 1.00 0.00 H new ATOM 0 HG3 LYS A 259 -23.072 -0.236 -0.300 1.00 0.00 H new ATOM 0 HD2 LYS A 259 -23.579 -1.350 -2.232 1.00 0.00 H new ATOM 0 HD3 LYS A 259 -24.629 -2.292 -1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 259 -26.561 -1.319 -2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 259 -25.804 0.241 -2.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 259 -26.371 -0.807 -4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 259 -24.686 -0.650 -4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 259 -25.419 -2.161 -3.963 1.00 0.00 H new ATOM 1142 N PRO A 260 -26.146 -0.585 3.882 1.00 0.00 N ATOM 1143 CA PRO A 260 -26.529 -1.138 5.182 1.00 0.00 C ATOM 1144 C PRO A 260 -26.602 -2.674 5.158 1.00 0.00 C ATOM 1145 O PRO A 260 -27.678 -3.258 5.356 1.00 0.00 O ATOM 1146 CB PRO A 260 -27.881 -0.480 5.498 1.00 0.00 C ATOM 1147 CG PRO A 260 -28.486 -0.220 4.119 1.00 0.00 C ATOM 1148 CD PRO A 260 -27.273 0.065 3.241 1.00 0.00 C ATOM 0 HA PRO A 260 -25.791 -0.924 5.956 1.00 0.00 H new ATOM 0 HB2 PRO A 260 -28.515 -1.134 6.097 1.00 0.00 H new ATOM 0 HB3 PRO A 260 -27.755 0.445 6.061 1.00 0.00 H new ATOM 0 HG2 PRO A 260 -29.047 -1.082 3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 260 -29.175 0.624 4.137 1.00 0.00 H new ATOM 0 HD2 PRO A 260 -27.423 -0.321 2.233 1.00 0.00 H new ATOM 0 HD3 PRO A 260 -27.103 1.138 3.149 1.00 0.00 H new ATOM 1156 N ARG A 261 -25.493 -3.348 4.868 1.00 0.00 N ATOM 1157 CA ARG A 261 -25.339 -4.779 4.773 1.00 0.00 C ATOM 1158 C ARG A 261 -23.861 -5.081 4.865 1.00 0.00 C ATOM 1159 O ARG A 261 -23.477 -6.271 4.873 1.00 0.00 O ATOM 1160 CB ARG A 261 -25.913 -5.234 3.439 1.00 0.00 C ATOM 1161 CG ARG A 261 -25.209 -4.684 2.181 1.00 0.00 C ATOM 1162 CD ARG A 261 -25.836 -5.178 0.866 1.00 0.00 C ATOM 1163 NE ARG A 261 -27.185 -4.624 0.643 1.00 0.00 N ATOM 1164 CZ ARG A 261 -28.323 -5.078 1.171 1.00 0.00 C ATOM 1165 NH1 ARG A 261 -28.368 -6.266 1.766 1.00 0.00 N ATOM 1166 NH2 ARG A 261 -29.429 -4.356 1.076 1.00 0.00 N ATOM 0 H ARG A 261 -24.616 -2.861 4.680 1.00 0.00 H new ATOM 0 HA ARG A 261 -25.865 -5.304 5.571 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -25.880 -6.323 3.404 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -26.963 -4.945 3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -25.240 -3.595 2.203 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -24.158 -4.974 2.205 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -25.190 -4.902 0.032 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -25.891 -6.267 0.879 1.00 0.00 H new ATOM 0 HE ARG A 261 -27.254 -3.815 0.025 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -27.527 -6.840 1.822 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -29.244 -6.603 2.166 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -29.410 -3.454 0.600 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -30.300 -4.702 1.479 1.00 0.00 H new