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+ -170:sc= 0.977 (180deg=0.479) 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+ -139:sc= 0.178 (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+ 143:sc= 1.57 (180deg=1.02) USER MOD Single : A 232 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 250 GLN : amide:sc= -0.436 X(o=-0.44,f=0) USER MOD Single : A 251 ASN : amide:sc= 0.544 K(o=0.54,f=-2.8!) USER MOD Single : A 254 TYR OH : rot 180:sc= 0 USER MOD Single : A 255 LYS NZ :NH3+ 164:sc= 0.31 (180deg=-0.0943) USER MOD Single : A 259 LYS NZ :NH3+ 168:sc=-0.00406 (180deg=-0.107) USER MOD ----------------------------------------------------------------- ATOM 123 N ASP A 195 -9.450 -18.549 28.587 1.00 0.00 N ATOM 124 CA ASP A 195 -9.862 -17.464 29.462 1.00 0.00 C ATOM 125 C ASP A 195 -10.993 -16.618 28.880 1.00 0.00 C ATOM 126 O ASP A 195 -11.178 -15.458 29.250 1.00 0.00 O ATOM 127 CB ASP A 195 -8.679 -16.621 29.944 1.00 0.00 C ATOM 128 CG ASP A 195 -7.317 -17.304 29.969 1.00 0.00 C ATOM 129 OD1 ASP A 195 -7.038 -18.082 30.910 1.00 0.00 O ATOM 130 OD2 ASP A 195 -6.547 -17.051 29.012 1.00 0.00 O ATOM 0 HA ASP A 195 -10.281 -17.939 30.349 1.00 0.00 H new ATOM 0 HB2 ASP A 195 -8.606 -15.740 29.306 1.00 0.00 H new ATOM 0 HB3 ASP A 195 -8.901 -16.268 30.951 1.00 0.00 H new ATOM 135 N ALA A 196 -11.767 -17.207 27.968 1.00 0.00 N ATOM 136 CA ALA A 196 -12.741 -16.547 27.124 1.00 0.00 C ATOM 137 C ALA A 196 -12.183 -15.298 26.425 1.00 0.00 C ATOM 138 O ALA A 196 -12.833 -14.246 26.433 1.00 0.00 O ATOM 139 CB ALA A 196 -14.012 -16.277 27.936 1.00 0.00 C ATOM 0 H ALA A 196 -11.722 -18.211 27.796 1.00 0.00 H new ATOM 0 HA ALA A 196 -12.999 -17.214 26.301 1.00 0.00 H new ATOM 0 HB1 ALA A 196 -14.748 -15.780 27.305 1.00 0.00 H new ATOM 0 HB2 ALA A 196 -14.421 -17.221 28.296 1.00 0.00 H new ATOM 0 HB3 ALA A 196 -13.772 -15.638 28.786 1.00 0.00 H new ATOM 145 N ALA A 197 -11.016 -15.412 25.783 1.00 0.00 N ATOM 146 CA ALA A 197 -10.470 -14.408 24.879 1.00 0.00 C ATOM 147 C ALA A 197 -9.631 -15.075 23.774 1.00 0.00 C ATOM 148 O ALA A 197 -8.445 -15.335 23.989 1.00 0.00 O ATOM 149 CB ALA A 197 -9.656 -13.398 25.700 1.00 0.00 C ATOM 0 H ALA A 197 -10.413 -16.229 25.884 1.00 0.00 H new ATOM 0 HA ALA A 197 -11.276 -13.874 24.376 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -9.241 -12.640 25.036 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -10.304 -12.921 26.436 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -8.845 -13.915 26.212 1.00 0.00 H new ATOM 155 N LYS A 198 -10.215 -15.332 22.592 1.00 0.00 N ATOM 156 CA LYS A 198 -9.512 -15.870 21.413 1.00 0.00 C ATOM 157 C LYS A 198 -9.398 -14.829 20.297 1.00 0.00 C ATOM 158 O LYS A 198 -10.199 -14.854 19.360 1.00 0.00 O ATOM 159 CB LYS A 198 -10.121 -17.221 20.962 1.00 0.00 C ATOM 160 CG LYS A 198 -11.583 -17.188 20.454 1.00 0.00 C ATOM 161 CD LYS A 198 -12.284 -18.566 20.500 1.00 0.00 C ATOM 162 CE LYS A 198 -12.851 -19.098 19.173 1.00 0.00 C ATOM 163 NZ LYS A 198 -11.905 -19.962 18.429 1.00 0.00 N ATOM 0 H LYS A 198 -11.208 -15.169 22.425 1.00 0.00 H new ATOM 0 HA LYS A 198 -8.484 -16.094 21.698 1.00 0.00 H new ATOM 0 HB2 LYS A 198 -9.494 -17.629 20.169 1.00 0.00 H new ATOM 0 HB3 LYS A 198 -10.067 -17.915 21.800 1.00 0.00 H new ATOM 0 HG2 LYS A 198 -12.152 -16.479 21.056 1.00 0.00 H new ATOM 0 HG3 LYS A 198 -11.595 -16.817 19.429 1.00 0.00 H new ATOM 0 HD2 LYS A 198 -11.572 -19.297 20.883 1.00 0.00 H new ATOM 0 HD3 LYS A 198 -13.100 -18.508 21.220 1.00 0.00 H new ATOM 0 HE2 LYS A 198 -13.762 -19.661 19.376 1.00 0.00 H new ATOM 0 HE3 LYS A 198 -13.132 -18.254 18.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 198 -12.279 -20.147 17.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 198 -10.985 -19.484 18.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 198 -11.786 -20.863 18.935 1.00 0.00 H new ATOM 177 N PRO A 199 -8.396 -13.932 20.343 1.00 0.00 N ATOM 178 CA PRO A 199 -8.189 -12.881 19.349 1.00 0.00 C ATOM 179 C PRO A 199 -7.678 -13.395 17.993 1.00 0.00 C ATOM 180 O PRO A 199 -6.782 -12.820 17.376 1.00 0.00 O ATOM 181 CB PRO A 199 -7.263 -11.879 20.038 1.00 0.00 C ATOM 182 CG PRO A 199 -6.424 -12.745 20.960 1.00 0.00 C ATOM 183 CD PRO A 199 -7.447 -13.762 21.438 1.00 0.00 C ATOM 0 HA PRO A 199 -9.128 -12.412 19.055 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -6.644 -11.344 19.318 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -7.826 -11.129 20.594 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -5.592 -13.216 20.436 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -5.998 -12.173 21.785 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -6.967 -14.708 21.688 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -7.951 -13.413 22.339 1.00 0.00 H new ATOM 191 N GLU A 200 -8.262 -14.473 17.487 1.00 0.00 N ATOM 192 CA GLU A 200 -7.983 -15.094 16.201 1.00 0.00 C ATOM 193 C GLU A 200 -9.293 -15.477 15.517 1.00 0.00 C ATOM 194 O GLU A 200 -9.303 -15.705 14.313 1.00 0.00 O ATOM 195 CB GLU A 200 -7.092 -16.326 16.407 1.00 0.00 C ATOM 196 CG GLU A 200 -5.723 -15.928 16.972 1.00 0.00 C ATOM 197 CD GLU A 200 -4.859 -17.119 17.376 1.00 0.00 C ATOM 198 OE1 GLU A 200 -4.988 -18.219 16.796 1.00 0.00 O ATOM 199 OE2 GLU A 200 -4.105 -16.970 18.369 1.00 0.00 O ATOM 0 H GLU A 200 -8.992 -14.969 17.999 1.00 0.00 H new ATOM 0 HA GLU A 200 -7.455 -14.388 15.560 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -7.581 -17.023 17.087 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -6.960 -16.846 15.458 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -5.189 -15.339 16.227 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -5.870 -15.286 17.840 1.00 0.00 H new ATOM 206 N ASP A 201 -10.401 -15.551 16.260 1.00 0.00 N ATOM 207 CA ASP A 201 -11.635 -16.164 15.764 1.00 0.00 C ATOM 208 C ASP A 201 -12.874 -15.595 16.455 1.00 0.00 C ATOM 209 O ASP A 201 -13.992 -15.758 15.977 1.00 0.00 O ATOM 210 CB ASP A 201 -11.486 -17.646 16.065 1.00 0.00 C ATOM 211 CG ASP A 201 -12.458 -18.616 15.409 1.00 0.00 C ATOM 212 OD1 ASP A 201 -13.288 -18.225 14.570 1.00 0.00 O ATOM 213 OD2 ASP A 201 -12.335 -19.823 15.723 1.00 0.00 O ATOM 0 H ASP A 201 -10.468 -15.192 17.212 1.00 0.00 H new ATOM 0 HA ASP A 201 -11.775 -15.966 14.701 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -10.477 -17.943 15.781 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -11.564 -17.776 17.144 1.00 0.00 H new ATOM 218 N TRP A 202 -12.722 -14.946 17.613 1.00 0.00 N ATOM 219 CA TRP A 202 -13.888 -14.438 18.336 1.00 0.00 C ATOM 220 C TRP A 202 -14.608 -13.289 17.607 1.00 0.00 C ATOM 221 O TRP A 202 -15.787 -13.059 17.886 1.00 0.00 O ATOM 222 CB TRP A 202 -13.485 -13.969 19.729 1.00 0.00 C ATOM 223 CG TRP A 202 -12.679 -12.713 19.803 1.00 0.00 C ATOM 224 CD1 TRP A 202 -11.685 -12.325 18.974 1.00 0.00 C ATOM 225 CD2 TRP A 202 -12.782 -11.667 20.801 1.00 0.00 C ATOM 226 NE1 TRP A 202 -11.183 -11.119 19.394 1.00 0.00 N ATOM 227 CE2 TRP A 202 -11.813 -10.666 20.526 1.00 0.00 C ATOM 228 CE3 TRP A 202 -13.607 -11.480 21.918 1.00 0.00 C ATOM 229 CZ2 TRP A 202 -11.670 -9.523 21.319 1.00 0.00 C ATOM 230 CZ3 TRP A 202 -13.461 -10.357 22.743 1.00 0.00 C ATOM 231 CH2 TRP A 202 -12.501 -9.378 22.444 1.00 0.00 C ATOM 0 H TRP A 202 -11.824 -14.763 18.061 1.00 0.00 H new ATOM 0 HA TRP A 202 -14.588 -15.271 18.399 1.00 0.00 H new ATOM 0 HB2 TRP A 202 -14.392 -13.827 20.317 1.00 0.00 H new ATOM 0 HB3 TRP A 202 -12.917 -14.767 20.207 1.00 0.00 H new ATOM 0 HD1 TRP A 202 -11.339 -12.879 18.114 1.00 0.00 H new ATOM 0 HE1 TRP A 202 -10.431 -10.618 18.921 1.00 0.00 H new ATOM 0 HE3 TRP A 202 -14.367 -12.213 22.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 202 -10.938 -8.768 21.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 202 -14.090 -10.244 23.613 1.00 0.00 H new ATOM 0 HH2 TRP A 202 -12.400 -8.511 23.080 1.00 0.00 H new ATOM 242 N ASP A 203 -13.911 -12.573 16.712 1.00 0.00 N ATOM 243 CA ASP A 203 -14.357 -11.375 15.984 1.00 0.00 C ATOM 244 C ASP A 203 -15.019 -10.371 16.931 1.00 0.00 C ATOM 245 O ASP A 203 -16.232 -10.152 16.883 1.00 0.00 O ATOM 246 CB ASP A 203 -15.217 -11.784 14.781 1.00 0.00 C ATOM 247 CG ASP A 203 -15.784 -10.604 13.986 1.00 0.00 C ATOM 248 OD1 ASP A 203 -15.059 -9.624 13.727 1.00 0.00 O ATOM 249 OD2 ASP A 203 -16.977 -10.674 13.600 1.00 0.00 O ATOM 0 H ASP A 203 -12.957 -12.833 16.461 1.00 0.00 H new ATOM 0 HA ASP A 203 -13.497 -10.845 15.573 1.00 0.00 H new ATOM 0 HB2 ASP A 203 -14.618 -12.403 14.114 1.00 0.00 H new ATOM 0 HB3 ASP A 203 -16.043 -12.402 15.132 1.00 0.00 H new ATOM 254 N GLU A 204 -14.212 -9.843 17.868 1.00 0.00 N ATOM 255 CA GLU A 204 -14.578 -8.876 18.922 1.00 0.00 C ATOM 256 C GLU A 204 -15.829 -9.288 19.716 1.00 0.00 C ATOM 257 O GLU A 204 -16.516 -8.474 20.339 1.00 0.00 O ATOM 258 CB GLU A 204 -14.635 -7.456 18.327 1.00 0.00 C ATOM 259 CG GLU A 204 -13.577 -6.507 18.920 1.00 0.00 C ATOM 260 CD GLU A 204 -13.878 -6.020 20.347 1.00 0.00 C ATOM 261 OE1 GLU A 204 -13.568 -6.728 21.335 1.00 0.00 O ATOM 262 OE2 GLU A 204 -14.326 -4.862 20.504 1.00 0.00 O ATOM 0 H GLU A 204 -13.225 -10.095 17.914 1.00 0.00 H new ATOM 0 HA GLU A 204 -13.795 -8.874 19.680 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -14.496 -7.516 17.248 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -15.626 -7.037 18.498 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -12.612 -7.015 18.920 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -13.480 -5.639 18.267 1.00 0.00 H new ATOM 269 N ARG A 205 -16.144 -10.588 19.686 1.00 0.00 N ATOM 270 CA ARG A 205 -17.353 -11.197 20.191 1.00 0.00 C ATOM 271 C ARG A 205 -18.618 -10.472 19.729 1.00 0.00 C ATOM 272 O ARG A 205 -19.630 -10.509 20.434 1.00 0.00 O ATOM 273 CB ARG A 205 -17.175 -11.356 21.702 1.00 0.00 C ATOM 274 CG ARG A 205 -17.119 -12.825 22.121 1.00 0.00 C ATOM 275 CD ARG A 205 -18.509 -13.426 22.328 1.00 0.00 C ATOM 276 NE ARG A 205 -18.863 -13.446 23.763 1.00 0.00 N ATOM 277 CZ ARG A 205 -20.063 -13.258 24.334 1.00 0.00 C ATOM 278 NH1 ARG A 205 -21.139 -12.937 23.626 1.00 0.00 N ATOM 279 NH2 ARG A 205 -20.191 -13.403 25.646 1.00 0.00 N ATOM 0 H ARG A 205 -15.511 -11.277 19.279 1.00 0.00 H new ATOM 0 HA ARG A 205 -17.511 -12.190 19.769 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -16.259 -10.855 22.014 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -17.999 -10.863 22.218 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -16.589 -13.397 21.360 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -16.546 -12.915 23.044 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -19.247 -12.846 21.775 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -18.535 -14.440 21.928 1.00 0.00 H new ATOM 0 HE ARG A 205 -18.092 -13.627 24.406 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -21.069 -12.826 22.614 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -22.035 -12.802 24.093 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -19.381 -13.655 26.213 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -21.099 -13.262 26.088 1.00 0.00 H new ATOM 293 N ALA A 206 -18.574 -9.888 18.528 1.00 0.00 N ATOM 294 CA ALA A 206 -19.559 -8.968 17.975 1.00 0.00 C ATOM 295 C ALA A 206 -19.576 -7.698 18.828 1.00 0.00 C ATOM 296 O ALA A 206 -20.362 -7.582 19.772 1.00 0.00 O ATOM 297 CB ALA A 206 -20.938 -9.623 17.791 1.00 0.00 C ATOM 0 H ALA A 206 -17.803 -10.058 17.882 1.00 0.00 H new ATOM 0 HA ALA A 206 -19.272 -8.686 16.962 1.00 0.00 H new ATOM 0 HB1 ALA A 206 -21.634 -8.894 17.376 1.00 0.00 H new ATOM 0 HB2 ALA A 206 -20.851 -10.470 17.110 1.00 0.00 H new ATOM 0 HB3 ALA A 206 -21.308 -9.970 18.756 1.00 0.00 H new ATOM 408 N SER A 214 -24.103 4.131 8.270 1.00 0.00 N ATOM 409 CA SER A 214 -23.152 4.586 7.261 1.00 0.00 C ATOM 410 C SER A 214 -21.706 4.296 7.700 1.00 0.00 C ATOM 411 O SER A 214 -20.952 5.212 8.043 1.00 0.00 O ATOM 412 CB SER A 214 -23.394 6.079 7.011 1.00 0.00 C ATOM 413 OG SER A 214 -24.540 6.299 6.212 1.00 0.00 O ATOM 0 HA SER A 214 -23.301 4.043 6.328 1.00 0.00 H new ATOM 0 HB2 SER A 214 -23.512 6.593 7.965 1.00 0.00 H new ATOM 0 HB3 SER A 214 -22.521 6.512 6.522 1.00 0.00 H new ATOM 0 HG SER A 214 -24.664 7.262 6.075 1.00 0.00 H new ATOM 419 N LYS A 215 -21.352 3.010 7.632 1.00 0.00 N ATOM 420 CA LYS A 215 -20.021 2.391 7.639 1.00 0.00 C ATOM 421 C LYS A 215 -19.264 2.422 8.976 1.00 0.00 C ATOM 422 O LYS A 215 -19.194 3.469 9.615 1.00 0.00 O ATOM 423 CB LYS A 215 -19.162 2.859 6.449 1.00 0.00 C ATOM 424 CG LYS A 215 -17.807 3.485 6.777 1.00 0.00 C ATOM 425 CD LYS A 215 -17.165 3.995 5.484 1.00 0.00 C ATOM 426 CE LYS A 215 -17.663 5.324 4.940 1.00 0.00 C ATOM 427 NZ LYS A 215 -16.990 6.462 5.603 1.00 0.00 N ATOM 0 H LYS A 215 -22.075 2.294 7.563 1.00 0.00 H new ATOM 0 HA LYS A 215 -20.225 1.329 7.507 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -18.991 2.003 5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -19.741 3.584 5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -17.933 4.305 7.483 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -17.159 2.750 7.254 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -16.091 4.079 5.650 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -17.310 3.238 4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -17.485 5.369 3.866 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -18.740 5.399 5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -17.351 7.355 5.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -17.181 6.431 6.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -15.965 6.402 5.440 1.00 0.00 H new ATOM 441 N PRO A 216 -18.672 1.286 9.392 1.00 0.00 N ATOM 442 CA PRO A 216 -17.844 1.187 10.583 1.00 0.00 C ATOM 443 C PRO A 216 -16.402 1.577 10.264 1.00 0.00 C ATOM 444 O PRO A 216 -15.963 1.567 9.108 1.00 0.00 O ATOM 445 CB PRO A 216 -17.939 -0.283 11.006 1.00 0.00 C ATOM 446 CG PRO A 216 -18.032 -1.005 9.663 1.00 0.00 C ATOM 447 CD PRO A 216 -18.851 -0.032 8.811 1.00 0.00 C ATOM 0 HA PRO A 216 -18.174 1.858 11.376 1.00 0.00 H new ATOM 0 HB2 PRO A 216 -17.066 -0.599 11.577 1.00 0.00 H new ATOM 0 HB3 PRO A 216 -18.813 -0.471 11.630 1.00 0.00 H new ATOM 0 HG2 PRO A 216 -17.047 -1.189 9.233 1.00 0.00 H new ATOM 0 HG3 PRO A 216 -18.524 -1.973 9.757 1.00 0.00 H new ATOM 0 HD2 PRO A 216 -18.513 -0.047 7.775 1.00 0.00 H new ATOM 0 HD3 PRO A 216 -19.904 -0.313 8.807 1.00 0.00 H new ATOM 455 N GLU A 217 -15.620 1.778 11.318 1.00 0.00 N ATOM 456 CA GLU A 217 -14.218 2.175 11.276 1.00 0.00 C ATOM 457 C GLU A 217 -13.289 1.122 10.655 1.00 0.00 C ATOM 458 O GLU A 217 -12.125 1.407 10.373 1.00 0.00 O ATOM 459 CB GLU A 217 -13.743 2.512 12.705 1.00 0.00 C ATOM 460 CG GLU A 217 -14.136 1.491 13.797 1.00 0.00 C ATOM 461 CD GLU A 217 -15.493 1.809 14.441 1.00 0.00 C ATOM 462 OE1 GLU A 217 -15.531 2.618 15.400 1.00 0.00 O ATOM 463 OE2 GLU A 217 -16.517 1.292 13.940 1.00 0.00 O ATOM 0 H GLU A 217 -15.963 1.663 12.272 1.00 0.00 H new ATOM 0 HA GLU A 217 -14.160 3.048 10.626 1.00 0.00 H new ATOM 0 HB2 GLU A 217 -12.657 2.607 12.695 1.00 0.00 H new ATOM 0 HB3 GLU A 217 -14.145 3.486 12.982 1.00 0.00 H new ATOM 0 HG2 GLU A 217 -14.170 0.493 13.361 1.00 0.00 H new ATOM 0 HG3 GLU A 217 -13.366 1.475 14.569 1.00 0.00 H new ATOM 470 N ASP A 218 -13.828 -0.053 10.345 1.00 0.00 N ATOM 471 CA ASP A 218 -13.113 -1.194 9.775 1.00 0.00 C ATOM 472 C ASP A 218 -13.422 -1.333 8.273 1.00 0.00 C ATOM 473 O ASP A 218 -12.607 -1.857 7.505 1.00 0.00 O ATOM 474 CB ASP A 218 -13.454 -2.480 10.557 1.00 0.00 C ATOM 475 CG ASP A 218 -12.916 -2.476 11.997 1.00 0.00 C ATOM 476 OD1 ASP A 218 -11.676 -2.548 12.181 1.00 0.00 O ATOM 477 OD2 ASP A 218 -13.720 -2.374 12.950 1.00 0.00 O ATOM 0 H ASP A 218 -14.819 -0.246 10.490 1.00 0.00 H new ATOM 0 HA ASP A 218 -12.040 -1.025 9.868 1.00 0.00 H new ATOM 0 HB2 ASP A 218 -14.536 -2.606 10.581 1.00 0.00 H new ATOM 0 HB3 ASP A 218 -13.045 -3.339 10.026 1.00 0.00 H new ATOM 482 N TRP A 219 -14.556 -0.788 7.810 1.00 0.00 N ATOM 483 CA TRP A 219 -14.825 -0.603 6.384 1.00 0.00 C ATOM 484 C TRP A 219 -13.959 0.542 5.882 1.00 0.00 C ATOM 485 O TRP A 219 -13.400 0.444 4.786 1.00 0.00 O ATOM 486 CB TRP A 219 -16.306 -0.268 6.135 1.00 0.00 C ATOM 487 CG TRP A 219 -16.709 0.104 4.728 1.00 0.00 C ATOM 488 CD1 TRP A 219 -16.283 1.181 4.017 1.00 0.00 C ATOM 489 CD2 TRP A 219 -17.656 -0.570 3.846 1.00 0.00 C ATOM 490 NE1 TRP A 219 -16.886 1.228 2.781 1.00 0.00 N ATOM 491 CE2 TRP A 219 -17.730 0.156 2.622 1.00 0.00 C ATOM 492 CE3 TRP A 219 -18.451 -1.731 3.943 1.00 0.00 C ATOM 493 CZ2 TRP A 219 -18.502 -0.274 1.546 1.00 0.00 C ATOM 494 CZ3 TRP A 219 -19.279 -2.142 2.879 1.00 0.00 C ATOM 495 CH2 TRP A 219 -19.297 -1.422 1.671 1.00 0.00 C ATOM 0 H TRP A 219 -15.310 -0.464 8.416 1.00 0.00 H new ATOM 0 HA TRP A 219 -14.596 -1.528 5.855 1.00 0.00 H new ATOM 0 HB2 TRP A 219 -16.901 -1.129 6.439 1.00 0.00 H new ATOM 0 HB3 TRP A 219 -16.580 0.557 6.793 1.00 0.00 H new ATOM 0 HD1 TRP A 219 -15.566 1.905 4.375 1.00 0.00 H new ATOM 0 HE1 TRP A 219 -16.729 1.955 2.083 1.00 0.00 H new ATOM 0 HE3 TRP A 219 -18.425 -2.316 4.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 219 -18.488 0.276 0.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 219 -19.904 -3.016 2.992 1.00 0.00 H new ATOM 0 HH2 TRP A 219 -19.916 -1.750 0.849 1.00 0.00 H new ATOM 506 N ASP A 220 -13.930 1.618 6.673 1.00 0.00 N ATOM 507 CA ASP A 220 -13.310 2.912 6.445 1.00 0.00 C ATOM 508 C ASP A 220 -11.796 2.736 6.331 1.00 0.00 C ATOM 509 O ASP A 220 -11.052 2.769 7.313 1.00 0.00 O ATOM 510 CB ASP A 220 -13.731 3.852 7.589 1.00 0.00 C ATOM 511 CG ASP A 220 -13.490 5.321 7.261 1.00 0.00 C ATOM 512 OD1 ASP A 220 -12.727 5.626 6.322 1.00 0.00 O ATOM 513 OD2 ASP A 220 -14.171 6.171 7.880 1.00 0.00 O ATOM 0 H ASP A 220 -14.391 1.594 7.583 1.00 0.00 H new ATOM 0 HA ASP A 220 -13.640 3.361 5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 220 -14.788 3.701 7.807 1.00 0.00 H new ATOM 0 HB3 ASP A 220 -13.179 3.590 8.491 1.00 0.00 H new ATOM 518 N LYS A 221 -11.354 2.393 5.125 1.00 0.00 N ATOM 519 CA LYS A 221 -9.961 2.140 4.800 1.00 0.00 C ATOM 520 C LYS A 221 -9.270 3.454 4.448 1.00 0.00 C ATOM 521 O LYS A 221 -9.929 4.375 3.965 1.00 0.00 O ATOM 522 CB LYS A 221 -9.880 1.160 3.615 1.00 0.00 C ATOM 523 CG LYS A 221 -10.118 -0.304 4.012 1.00 0.00 C ATOM 524 CD LYS A 221 -9.116 -0.839 5.042 1.00 0.00 C ATOM 525 CE LYS A 221 -9.814 -1.294 6.331 1.00 0.00 C ATOM 526 NZ LYS A 221 -9.975 -2.757 6.374 1.00 0.00 N ATOM 0 H LYS A 221 -11.977 2.281 4.325 1.00 0.00 H new ATOM 0 HA LYS A 221 -9.459 1.698 5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -10.616 1.449 2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -8.898 1.247 3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -11.126 -0.402 4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -10.071 -0.925 3.117 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -8.564 -1.675 4.612 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -8.387 -0.063 5.277 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -9.235 -0.966 7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -10.792 -0.818 6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -10.914 -2.992 6.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -9.883 -3.145 5.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -9.242 -3.169 6.985 1.00 0.00 H new ATOM 540 N PRO A 222 -7.939 3.526 4.606 1.00 0.00 N ATOM 541 CA PRO A 222 -7.188 4.677 4.158 1.00 0.00 C ATOM 542 C PRO A 222 -7.231 4.706 2.631 1.00 0.00 C ATOM 543 O PRO A 222 -7.280 3.662 1.968 1.00 0.00 O ATOM 544 CB PRO A 222 -5.783 4.488 4.727 1.00 0.00 C ATOM 545 CG PRO A 222 -5.622 2.976 4.777 1.00 0.00 C ATOM 546 CD PRO A 222 -7.036 2.483 5.073 1.00 0.00 C ATOM 0 HA PRO A 222 -7.584 5.635 4.495 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -5.027 4.952 4.093 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -5.687 4.935 5.716 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -5.247 2.580 3.833 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -4.919 2.672 5.552 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -7.234 1.540 4.563 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -7.169 2.302 6.140 1.00 0.00 H new ATOM 554 N GLU A 223 -7.233 5.912 2.080 1.00 0.00 N ATOM 555 CA GLU A 223 -7.292 6.183 0.656 1.00 0.00 C ATOM 556 C GLU A 223 -5.985 5.717 -0.006 1.00 0.00 C ATOM 557 O GLU A 223 -6.015 5.022 -1.027 1.00 0.00 O ATOM 558 CB GLU A 223 -7.533 7.686 0.433 1.00 0.00 C ATOM 559 CG GLU A 223 -8.783 8.315 1.081 1.00 0.00 C ATOM 560 CD GLU A 223 -8.782 8.447 2.612 1.00 0.00 C ATOM 561 OE1 GLU A 223 -7.683 8.470 3.223 1.00 0.00 O ATOM 562 OE2 GLU A 223 -9.886 8.572 3.198 1.00 0.00 O ATOM 0 H GLU A 223 -7.192 6.763 2.641 1.00 0.00 H new ATOM 0 HA GLU A 223 -8.117 5.636 0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -6.659 8.224 0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -7.588 7.861 -0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -8.922 9.309 0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -9.650 7.721 0.793 1.00 0.00 H new ATOM 569 N HIS A 224 -4.855 6.055 0.627 1.00 0.00 N ATOM 570 CA HIS A 224 -3.499 5.644 0.267 1.00 0.00 C ATOM 571 C HIS A 224 -3.079 4.484 1.177 1.00 0.00 C ATOM 572 O HIS A 224 -3.237 4.596 2.396 1.00 0.00 O ATOM 573 CB HIS A 224 -2.535 6.832 0.425 1.00 0.00 C ATOM 574 CG HIS A 224 -2.966 8.075 -0.297 1.00 0.00 C ATOM 575 ND1 HIS A 224 -3.726 9.106 0.207 1.00 0.00 N ATOM 576 CD2 HIS A 224 -2.644 8.382 -1.586 1.00 0.00 C ATOM 577 CE1 HIS A 224 -3.892 10.005 -0.774 1.00 0.00 C ATOM 578 NE2 HIS A 224 -3.259 9.601 -1.892 1.00 0.00 N ATOM 0 H HIS A 224 -4.867 6.657 1.450 1.00 0.00 H new ATOM 0 HA HIS A 224 -3.469 5.317 -0.772 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -2.428 7.060 1.486 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -1.551 6.537 0.062 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -2.028 7.793 -2.249 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -4.454 10.923 -0.681 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -3.233 10.089 -2.787 1.00 0.00 H new ATOM 586 N ILE A 225 -2.494 3.414 0.633 1.00 0.00 N ATOM 587 CA ILE A 225 -1.868 2.330 1.398 1.00 0.00 C ATOM 588 C ILE A 225 -0.397 2.185 1.012 1.00 0.00 C ATOM 589 O ILE A 225 -0.051 2.466 -0.134 1.00 0.00 O ATOM 590 CB ILE A 225 -2.582 0.982 1.181 1.00 0.00 C ATOM 591 CG1 ILE A 225 -2.691 0.576 -0.309 1.00 0.00 C ATOM 592 CG2 ILE A 225 -3.952 1.031 1.856 1.00 0.00 C ATOM 593 CD1 ILE A 225 -3.038 -0.902 -0.524 1.00 0.00 C ATOM 0 H ILE A 225 -2.441 3.273 -0.376 1.00 0.00 H new ATOM 0 HA ILE A 225 -1.952 2.596 2.452 1.00 0.00 H new ATOM 0 HB ILE A 225 -1.973 0.203 1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -3.452 1.192 -0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -1.745 0.793 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -4.465 0.081 1.708 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -3.825 1.212 2.923 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -4.544 1.835 1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -3.097 -1.110 -1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -2.266 -1.526 -0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -3.999 -1.122 -0.058 1.00 0.00 H new ATOM 605 N PRO A 226 0.473 1.709 1.914 1.00 0.00 N ATOM 606 CA PRO A 226 1.849 1.418 1.559 1.00 0.00 C ATOM 607 C PRO A 226 1.850 0.193 0.641 1.00 0.00 C ATOM 608 O PRO A 226 1.091 -0.758 0.863 1.00 0.00 O ATOM 609 CB PRO A 226 2.575 1.203 2.886 1.00 0.00 C ATOM 610 CG PRO A 226 1.483 0.763 3.862 1.00 0.00 C ATOM 611 CD PRO A 226 0.168 1.252 3.260 1.00 0.00 C ATOM 0 HA PRO A 226 2.355 2.211 1.009 1.00 0.00 H new ATOM 0 HB2 PRO A 226 3.352 0.444 2.793 1.00 0.00 H new ATOM 0 HB3 PRO A 226 3.062 2.118 3.223 1.00 0.00 H new ATOM 0 HG2 PRO A 226 1.479 -0.320 3.983 1.00 0.00 H new ATOM 0 HG3 PRO A 226 1.645 1.193 4.850 1.00 0.00 H new ATOM 0 HD2 PRO A 226 -0.571 0.451 3.239 1.00 0.00 H new ATOM 0 HD3 PRO A 226 -0.255 2.060 3.857 1.00 0.00 H new ATOM 619 N ASP A 227 2.681 0.233 -0.396 1.00 0.00 N ATOM 620 CA ASP A 227 2.755 -0.738 -1.472 1.00 0.00 C ATOM 621 C ASP A 227 2.988 -2.144 -0.908 1.00 0.00 C ATOM 622 O ASP A 227 4.032 -2.399 -0.297 1.00 0.00 O ATOM 623 CB ASP A 227 3.857 -0.326 -2.451 1.00 0.00 C ATOM 624 CG ASP A 227 3.835 -1.147 -3.736 1.00 0.00 C ATOM 625 OD1 ASP A 227 3.434 -2.333 -3.714 1.00 0.00 O ATOM 626 OD2 ASP A 227 4.180 -0.579 -4.792 1.00 0.00 O ATOM 0 H ASP A 227 3.357 0.988 -0.510 1.00 0.00 H new ATOM 0 HA ASP A 227 1.809 -0.762 -2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 227 3.744 0.730 -2.697 1.00 0.00 H new ATOM 0 HB3 ASP A 227 4.828 -0.439 -1.968 1.00 0.00 H new ATOM 631 N PRO A 228 2.019 -3.065 -1.044 1.00 0.00 N ATOM 632 CA PRO A 228 2.163 -4.397 -0.498 1.00 0.00 C ATOM 633 C PRO A 228 3.072 -5.272 -1.357 1.00 0.00 C ATOM 634 O PRO A 228 3.578 -6.273 -0.844 1.00 0.00 O ATOM 635 CB PRO A 228 0.736 -4.949 -0.441 1.00 0.00 C ATOM 636 CG PRO A 228 0.058 -4.292 -1.644 1.00 0.00 C ATOM 637 CD PRO A 228 0.747 -2.930 -1.740 1.00 0.00 C ATOM 0 HA PRO A 228 2.637 -4.383 0.483 1.00 0.00 H new ATOM 0 HB2 PRO A 228 0.722 -6.036 -0.515 1.00 0.00 H new ATOM 0 HB3 PRO A 228 0.240 -4.687 0.493 1.00 0.00 H new ATOM 0 HG2 PRO A 228 0.197 -4.877 -2.553 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -1.017 -4.189 -1.493 1.00 0.00 H new ATOM 0 HD2 PRO A 228 0.902 -2.645 -2.781 1.00 0.00 H new ATOM 0 HD3 PRO A 228 0.135 -2.152 -1.284 1.00 0.00 H new ATOM 645 N ASP A 229 3.289 -4.921 -2.624 1.00 0.00 N ATOM 646 CA ASP A 229 3.988 -5.783 -3.579 1.00 0.00 C ATOM 647 C ASP A 229 5.450 -5.389 -3.730 1.00 0.00 C ATOM 648 O ASP A 229 6.301 -6.224 -4.030 1.00 0.00 O ATOM 649 CB ASP A 229 3.308 -5.750 -4.948 1.00 0.00 C ATOM 650 CG ASP A 229 3.584 -7.069 -5.657 1.00 0.00 C ATOM 651 OD1 ASP A 229 4.639 -7.259 -6.306 1.00 0.00 O ATOM 652 OD2 ASP A 229 2.739 -7.979 -5.494 1.00 0.00 O ATOM 0 H ASP A 229 2.985 -4.031 -3.018 1.00 0.00 H new ATOM 0 HA ASP A 229 3.943 -6.796 -3.180 1.00 0.00 H new ATOM 0 HB2 ASP A 229 2.235 -5.599 -4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 229 3.687 -4.916 -5.539 1.00 0.00 H new ATOM 657 N ALA A 230 5.762 -4.124 -3.460 1.00 0.00 N ATOM 658 CA ALA A 230 7.134 -3.692 -3.284 1.00 0.00 C ATOM 659 C ALA A 230 7.550 -4.130 -1.885 1.00 0.00 C ATOM 660 O ALA A 230 6.809 -3.876 -0.933 1.00 0.00 O ATOM 661 CB ALA A 230 7.221 -2.181 -3.473 1.00 0.00 C ATOM 0 H ALA A 230 5.072 -3.379 -3.359 1.00 0.00 H new ATOM 0 HA ALA A 230 7.807 -4.134 -4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 230 8.253 -1.857 -3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 230 6.884 -1.920 -4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 230 6.588 -1.685 -2.737 1.00 0.00 H new ATOM 667 N LYS A 231 8.684 -4.819 -1.719 1.00 0.00 N ATOM 668 CA LYS A 231 9.040 -5.447 -0.439 1.00 0.00 C ATOM 669 C LYS A 231 10.539 -5.363 -0.134 1.00 0.00 C ATOM 670 O LYS A 231 11.092 -6.285 0.461 1.00 0.00 O ATOM 671 CB LYS A 231 8.526 -6.908 -0.424 1.00 0.00 C ATOM 672 CG LYS A 231 7.006 -7.154 -0.478 1.00 0.00 C ATOM 673 CD LYS A 231 6.355 -7.222 0.910 1.00 0.00 C ATOM 674 CE LYS A 231 6.386 -5.906 1.694 1.00 0.00 C ATOM 675 NZ LYS A 231 5.408 -4.918 1.191 1.00 0.00 N ATOM 0 H LYS A 231 9.374 -4.957 -2.457 1.00 0.00 H new ATOM 0 HA LYS A 231 8.552 -4.890 0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 231 8.976 -7.426 -1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 231 8.907 -7.384 0.480 1.00 0.00 H new ATOM 0 HG2 LYS A 231 6.536 -6.357 -1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 231 6.814 -8.087 -1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 231 5.318 -7.537 0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 231 6.859 -7.991 1.496 1.00 0.00 H new ATOM 0 HE2 LYS A 231 6.182 -6.109 2.745 1.00 0.00 H new ATOM 0 HE3 LYS A 231 7.388 -5.479 1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 5.007 -4.388 1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 5.883 -4.258 0.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 4.645 -5.411 0.685 1.00 0.00 H new ATOM 689 N LYS A 232 11.183 -4.247 -0.479 1.00 0.00 N ATOM 690 CA LYS A 232 12.613 -4.001 -0.475 1.00 0.00 C ATOM 691 C LYS A 232 13.287 -4.880 -1.526 1.00 0.00 C ATOM 692 O LYS A 232 13.235 -6.105 -1.416 1.00 0.00 O ATOM 693 CB LYS A 232 13.243 -4.113 0.918 1.00 0.00 C ATOM 694 CG LYS A 232 14.721 -3.682 0.872 1.00 0.00 C ATOM 695 CD LYS A 232 15.337 -3.360 2.239 1.00 0.00 C ATOM 696 CE LYS A 232 16.175 -4.512 2.793 1.00 0.00 C ATOM 697 NZ LYS A 232 16.968 -4.083 3.965 1.00 0.00 N ATOM 0 H LYS A 232 10.666 -3.426 -0.794 1.00 0.00 H new ATOM 0 HA LYS A 232 12.782 -2.960 -0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 232 12.696 -3.487 1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 232 13.167 -5.139 1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 232 15.303 -4.476 0.405 1.00 0.00 H new ATOM 0 HG3 LYS A 232 14.810 -2.804 0.233 1.00 0.00 H new ATOM 0 HD2 LYS A 232 15.961 -2.471 2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 232 14.541 -3.122 2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 232 15.521 -5.337 3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 232 16.842 -4.886 2.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 17.526 -4.886 4.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 17.608 -3.312 3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 16.328 -3.749 4.714 1.00 0.00 H new ATOM 711 N PRO A 233 13.902 -4.274 -2.553 1.00 0.00 N ATOM 712 CA PRO A 233 14.687 -5.023 -3.513 1.00 0.00 C ATOM 713 C PRO A 233 15.795 -5.766 -2.775 1.00 0.00 C ATOM 714 O PRO A 233 16.376 -5.239 -1.824 1.00 0.00 O ATOM 715 CB PRO A 233 15.232 -4.000 -4.517 1.00 0.00 C ATOM 716 CG PRO A 233 14.969 -2.626 -3.902 1.00 0.00 C ATOM 717 CD PRO A 233 13.967 -2.844 -2.791 1.00 0.00 C ATOM 0 HA PRO A 233 14.104 -5.775 -4.044 1.00 0.00 H new ATOM 0 HB2 PRO A 233 16.297 -4.153 -4.690 1.00 0.00 H new ATOM 0 HB3 PRO A 233 14.735 -4.097 -5.482 1.00 0.00 H new ATOM 0 HG2 PRO A 233 15.890 -2.190 -3.515 1.00 0.00 H new ATOM 0 HG3 PRO A 233 14.578 -1.934 -4.648 1.00 0.00 H new ATOM 0 HD2 PRO A 233 14.272 -2.316 -1.887 1.00 0.00 H new ATOM 0 HD3 PRO A 233 12.988 -2.455 -3.072 1.00 0.00 H new ATOM 725 N GLU A 234 16.147 -6.960 -3.249 1.00 0.00 N ATOM 726 CA GLU A 234 17.314 -7.664 -2.734 1.00 0.00 C ATOM 727 C GLU A 234 18.558 -6.810 -2.975 1.00 0.00 C ATOM 728 O GLU A 234 19.466 -6.781 -2.152 1.00 0.00 O ATOM 729 CB GLU A 234 17.453 -9.041 -3.401 1.00 0.00 C ATOM 730 CG GLU A 234 18.694 -9.775 -2.871 1.00 0.00 C ATOM 731 CD GLU A 234 18.524 -11.291 -2.814 1.00 0.00 C ATOM 732 OE1 GLU A 234 18.755 -11.982 -3.832 1.00 0.00 O ATOM 733 OE2 GLU A 234 18.212 -11.795 -1.708 1.00 0.00 O ATOM 0 H GLU A 234 15.643 -7.455 -3.984 1.00 0.00 H new ATOM 0 HA GLU A 234 17.197 -7.829 -1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 234 16.561 -9.637 -3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 234 17.528 -8.922 -4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 234 19.547 -9.536 -3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 234 18.927 -9.405 -1.872 1.00 0.00 H new ATOM 740 N ASP A 235 18.564 -6.078 -4.086 1.00 0.00 N ATOM 741 CA ASP A 235 19.630 -5.210 -4.561 1.00 0.00 C ATOM 742 C ASP A 235 19.687 -3.888 -3.780 1.00 0.00 C ATOM 743 O ASP A 235 20.511 -3.028 -4.087 1.00 0.00 O ATOM 744 CB ASP A 235 19.356 -4.977 -6.051 1.00 0.00 C ATOM 745 CG ASP A 235 20.490 -4.265 -6.786 1.00 0.00 C ATOM 746 OD1 ASP A 235 21.654 -4.696 -6.690 1.00 0.00 O ATOM 747 OD2 ASP A 235 20.163 -3.337 -7.571 1.00 0.00 O ATOM 0 H ASP A 235 17.766 -6.078 -4.721 1.00 0.00 H new ATOM 0 HA ASP A 235 20.605 -5.673 -4.408 1.00 0.00 H new ATOM 0 HB2 ASP A 235 19.172 -5.938 -6.531 1.00 0.00 H new ATOM 0 HB3 ASP A 235 18.444 -4.389 -6.155 1.00 0.00 H new ATOM 752 N TRP A 236 18.816 -3.693 -2.776 1.00 0.00 N ATOM 753 CA TRP A 236 18.845 -2.499 -1.942 1.00 0.00 C ATOM 754 C TRP A 236 20.144 -2.447 -1.149 1.00 0.00 C ATOM 755 O TRP A 236 20.687 -3.486 -0.753 1.00 0.00 O ATOM 756 CB TRP A 236 17.658 -2.471 -0.961 1.00 0.00 C ATOM 757 CG TRP A 236 17.513 -1.213 -0.154 1.00 0.00 C ATOM 758 CD1 TRP A 236 17.893 -1.011 1.135 1.00 0.00 C ATOM 759 CD2 TRP A 236 17.003 0.067 -0.623 1.00 0.00 C ATOM 760 NE1 TRP A 236 17.638 0.304 1.484 1.00 0.00 N ATOM 761 CE2 TRP A 236 17.100 1.012 0.436 1.00 0.00 C ATOM 762 CE3 TRP A 236 16.517 0.534 -1.860 1.00 0.00 C ATOM 763 CZ2 TRP A 236 16.732 2.353 0.280 1.00 0.00 C ATOM 764 CZ3 TRP A 236 16.140 1.879 -2.031 1.00 0.00 C ATOM 765 CH2 TRP A 236 16.244 2.784 -0.960 1.00 0.00 C ATOM 0 H TRP A 236 18.082 -4.357 -2.528 1.00 0.00 H new ATOM 0 HA TRP A 236 18.775 -1.634 -2.602 1.00 0.00 H new ATOM 0 HB2 TRP A 236 16.739 -2.627 -1.526 1.00 0.00 H new ATOM 0 HB3 TRP A 236 17.757 -3.312 -0.275 1.00 0.00 H new ATOM 0 HD1 TRP A 236 18.325 -1.758 1.784 1.00 0.00 H new ATOM 0 HE1 TRP A 236 17.826 0.699 2.405 1.00 0.00 H new ATOM 0 HE3 TRP A 236 16.432 -0.151 -2.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 16.823 3.046 1.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 15.770 2.217 -2.988 1.00 0.00 H new ATOM 0 HH2 TRP A 236 15.947 3.814 -1.094 1.00 0.00 H new ATOM 776 N ASP A 237 20.583 -1.233 -0.839 1.00 0.00 N ATOM 777 CA ASP A 237 21.718 -0.982 0.021 1.00 0.00 C ATOM 778 C ASP A 237 21.358 0.058 1.066 1.00 0.00 C ATOM 779 O ASP A 237 21.162 1.241 0.771 1.00 0.00 O ATOM 780 CB ASP A 237 22.926 -0.515 -0.774 1.00 0.00 C ATOM 781 CG ASP A 237 24.152 -0.404 0.153 1.00 0.00 C ATOM 782 OD1 ASP A 237 24.099 -0.947 1.289 1.00 0.00 O ATOM 783 OD2 ASP A 237 25.151 0.214 -0.257 1.00 0.00 O ATOM 0 H ASP A 237 20.145 -0.381 -1.190 1.00 0.00 H new ATOM 0 HA ASP A 237 21.978 -1.920 0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 237 23.133 -1.216 -1.583 1.00 0.00 H new ATOM 0 HB3 ASP A 237 22.718 0.451 -1.234 1.00 0.00 H new ATOM 788 N GLU A 238 21.233 -0.396 2.302 1.00 0.00 N ATOM 789 CA GLU A 238 20.929 0.459 3.426 1.00 0.00 C ATOM 790 C GLU A 238 22.106 1.350 3.791 1.00 0.00 C ATOM 791 O GLU A 238 21.914 2.427 4.353 1.00 0.00 O ATOM 792 CB GLU A 238 20.561 -0.459 4.593 1.00 0.00 C ATOM 793 CG GLU A 238 19.949 0.238 5.805 1.00 0.00 C ATOM 794 CD GLU A 238 20.036 -0.652 7.049 1.00 0.00 C ATOM 795 OE1 GLU A 238 19.921 -1.898 6.943 1.00 0.00 O ATOM 796 OE2 GLU A 238 20.118 -0.125 8.180 1.00 0.00 O ATOM 0 H GLU A 238 21.342 -1.379 2.551 1.00 0.00 H new ATOM 0 HA GLU A 238 20.106 1.129 3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 238 19.858 -1.211 4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 238 21.458 -0.988 4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 238 20.468 1.179 5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 238 18.907 0.483 5.601 1.00 0.00 H new ATOM 803 N GLU A 239 23.323 0.928 3.462 1.00 0.00 N ATOM 804 CA GLU A 239 24.513 1.710 3.772 1.00 0.00 C ATOM 805 C GLU A 239 24.559 2.928 2.831 1.00 0.00 C ATOM 806 O GLU A 239 25.082 3.985 3.195 1.00 0.00 O ATOM 807 CB GLU A 239 25.789 0.840 3.725 1.00 0.00 C ATOM 808 CG GLU A 239 25.648 -0.534 4.428 1.00 0.00 C ATOM 809 CD GLU A 239 26.669 -0.803 5.541 1.00 0.00 C ATOM 810 OE1 GLU A 239 26.495 -0.223 6.645 1.00 0.00 O ATOM 811 OE2 GLU A 239 27.550 -1.678 5.372 1.00 0.00 O ATOM 0 H GLU A 239 23.510 0.048 2.981 1.00 0.00 H new ATOM 0 HA GLU A 239 24.466 2.080 4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 239 26.065 0.676 2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 239 26.608 1.390 4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 239 24.646 -0.608 4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 239 25.736 -1.320 3.678 1.00 0.00 H new ATOM 818 N MET A 240 23.915 2.807 1.664 1.00 0.00 N ATOM 819 CA MET A 240 23.848 3.817 0.621 1.00 0.00 C ATOM 820 C MET A 240 22.729 4.798 0.926 1.00 0.00 C ATOM 821 O MET A 240 22.967 6.000 1.061 1.00 0.00 O ATOM 822 CB MET A 240 23.616 3.123 -0.732 1.00 0.00 C ATOM 823 CG MET A 240 23.435 4.106 -1.895 1.00 0.00 C ATOM 824 SD MET A 240 23.195 3.318 -3.510 1.00 0.00 S ATOM 825 CE MET A 240 22.732 4.787 -4.464 1.00 0.00 C ATOM 0 H MET A 240 23.405 1.959 1.417 1.00 0.00 H new ATOM 0 HA MET A 240 24.784 4.374 0.578 1.00 0.00 H new ATOM 0 HB2 MET A 240 24.461 2.469 -0.947 1.00 0.00 H new ATOM 0 HB3 MET A 240 22.732 2.489 -0.660 1.00 0.00 H new ATOM 0 HG2 MET A 240 22.577 4.745 -1.685 1.00 0.00 H new ATOM 0 HG3 MET A 240 24.310 4.754 -1.947 1.00 0.00 H new ATOM 0 HE1 MET A 240 22.541 4.503 -5.499 1.00 0.00 H new ATOM 0 HE2 MET A 240 21.832 5.229 -4.037 1.00 0.00 H new ATOM 0 HE3 MET A 240 23.544 5.513 -4.430 1.00 0.00 H new ATOM 835 N ASP A 241 21.498 4.292 0.975 1.00 0.00 N ATOM 836 CA ASP A 241 20.300 5.123 0.822 1.00 0.00 C ATOM 837 C ASP A 241 19.393 5.075 2.045 1.00 0.00 C ATOM 838 O ASP A 241 18.313 5.675 2.051 1.00 0.00 O ATOM 839 CB ASP A 241 19.563 4.799 -0.486 1.00 0.00 C ATOM 840 CG ASP A 241 19.430 6.065 -1.330 1.00 0.00 C ATOM 841 OD1 ASP A 241 20.400 6.482 -1.995 1.00 0.00 O ATOM 842 OD2 ASP A 241 18.358 6.714 -1.302 1.00 0.00 O ATOM 0 H ASP A 241 21.301 3.302 1.121 1.00 0.00 H new ATOM 0 HA ASP A 241 20.630 6.159 0.751 1.00 0.00 H new ATOM 0 HB2 ASP A 241 20.107 4.036 -1.042 1.00 0.00 H new ATOM 0 HB3 ASP A 241 18.576 4.391 -0.267 1.00 0.00 H new ATOM 847 N GLY A 242 19.848 4.383 3.089 1.00 0.00 N ATOM 848 CA GLY A 242 19.097 4.214 4.313 1.00 0.00 C ATOM 849 C GLY A 242 18.098 3.080 4.162 1.00 0.00 C ATOM 850 O GLY A 242 18.142 2.320 3.203 1.00 0.00 O ATOM 0 H GLY A 242 20.758 3.923 3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 242 19.776 4.003 5.139 1.00 0.00 H new ATOM 0 HA3 GLY A 242 18.575 5.139 4.559 1.00 0.00 H new ATOM 854 N GLU A 243 17.213 2.910 5.131 1.00 0.00 N ATOM 855 CA GLU A 243 16.134 1.943 5.094 1.00 0.00 C ATOM 856 C GLU A 243 15.214 2.187 3.886 1.00 0.00 C ATOM 857 O GLU A 243 14.717 3.295 3.653 1.00 0.00 O ATOM 858 CB GLU A 243 15.362 2.040 6.411 1.00 0.00 C ATOM 859 CG GLU A 243 14.062 1.222 6.358 1.00 0.00 C ATOM 860 CD GLU A 243 13.427 0.861 7.704 1.00 0.00 C ATOM 861 OE1 GLU A 243 14.101 0.233 8.552 1.00 0.00 O ATOM 862 OE2 GLU A 243 12.197 1.005 7.882 1.00 0.00 O ATOM 0 H GLU A 243 17.228 3.459 5.990 1.00 0.00 H new ATOM 0 HA GLU A 243 16.539 0.938 4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 243 15.987 1.681 7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 243 15.129 3.084 6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 243 13.331 1.781 5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 243 14.262 0.298 5.816 1.00 0.00 H new ATOM 869 N TRP A 244 14.930 1.108 3.157 1.00 0.00 N ATOM 870 CA TRP A 244 13.904 1.078 2.131 1.00 0.00 C ATOM 871 C TRP A 244 12.521 1.272 2.759 1.00 0.00 C ATOM 872 O TRP A 244 12.211 0.642 3.775 1.00 0.00 O ATOM 873 CB TRP A 244 13.941 -0.275 1.425 1.00 0.00 C ATOM 874 CG TRP A 244 12.912 -0.427 0.361 1.00 0.00 C ATOM 875 CD1 TRP A 244 13.008 0.019 -0.909 1.00 0.00 C ATOM 876 CD2 TRP A 244 11.572 -0.971 0.500 1.00 0.00 C ATOM 877 NE1 TRP A 244 11.827 -0.235 -1.572 1.00 0.00 N ATOM 878 CE2 TRP A 244 10.886 -0.803 -0.735 1.00 0.00 C ATOM 879 CE3 TRP A 244 10.864 -1.560 1.567 1.00 0.00 C ATOM 880 CZ2 TRP A 244 9.541 -1.170 -0.875 1.00 0.00 C ATOM 881 CZ3 TRP A 244 9.542 -1.999 1.414 1.00 0.00 C ATOM 882 CH2 TRP A 244 8.884 -1.792 0.197 1.00 0.00 C ATOM 0 H TRP A 244 15.418 0.219 3.269 1.00 0.00 H new ATOM 0 HA TRP A 244 14.091 1.882 1.419 1.00 0.00 H new ATOM 0 HB2 TRP A 244 14.928 -0.418 0.985 1.00 0.00 H new ATOM 0 HB3 TRP A 244 13.804 -1.064 2.165 1.00 0.00 H new ATOM 0 HD1 TRP A 244 13.875 0.500 -1.338 1.00 0.00 H new ATOM 0 HE1 TRP A 244 11.667 -0.029 -2.558 1.00 0.00 H new ATOM 0 HE3 TRP A 244 11.351 -1.676 2.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 9.016 -0.976 -1.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 9.035 -2.493 2.229 1.00 0.00 H new ATOM 0 HH2 TRP A 244 7.860 -2.114 0.082 1.00 0.00 H new ATOM 893 N GLU A 245 11.656 2.038 2.097 1.00 0.00 N ATOM 894 CA GLU A 245 10.235 2.124 2.401 1.00 0.00 C ATOM 895 C GLU A 245 9.429 1.890 1.125 1.00 0.00 C ATOM 896 O GLU A 245 9.829 2.366 0.058 1.00 0.00 O ATOM 897 CB GLU A 245 9.887 3.512 2.945 1.00 0.00 C ATOM 898 CG GLU A 245 10.264 3.678 4.415 1.00 0.00 C ATOM 899 CD GLU A 245 10.023 5.122 4.831 1.00 0.00 C ATOM 900 OE1 GLU A 245 10.936 5.955 4.617 1.00 0.00 O ATOM 901 OE2 GLU A 245 8.924 5.428 5.349 1.00 0.00 O ATOM 0 H GLU A 245 11.935 2.630 1.315 1.00 0.00 H new ATOM 0 HA GLU A 245 9.995 1.369 3.150 1.00 0.00 H new ATOM 0 HB2 GLU A 245 10.402 4.269 2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 245 8.818 3.687 2.826 1.00 0.00 H new ATOM 0 HG2 GLU A 245 9.671 3.004 5.034 1.00 0.00 H new ATOM 0 HG3 GLU A 245 11.310 3.412 4.567 1.00 0.00 H new ATOM 908 N PRO A 246 8.268 1.225 1.222 1.00 0.00 N ATOM 909 CA PRO A 246 7.321 1.186 0.125 1.00 0.00 C ATOM 910 C PRO A 246 6.762 2.592 -0.137 1.00 0.00 C ATOM 911 O PRO A 246 6.504 3.326 0.825 1.00 0.00 O ATOM 912 CB PRO A 246 6.212 0.220 0.545 1.00 0.00 C ATOM 913 CG PRO A 246 6.483 -0.158 2.006 1.00 0.00 C ATOM 914 CD PRO A 246 7.738 0.596 2.419 1.00 0.00 C ATOM 0 HA PRO A 246 7.790 0.852 -0.801 1.00 0.00 H new ATOM 0 HB2 PRO A 246 5.233 0.687 0.442 1.00 0.00 H new ATOM 0 HB3 PRO A 246 6.211 -0.666 -0.090 1.00 0.00 H new ATOM 0 HG2 PRO A 246 5.640 0.115 2.641 1.00 0.00 H new ATOM 0 HG3 PRO A 246 6.625 -1.234 2.109 1.00 0.00 H new ATOM 0 HD2 PRO A 246 7.507 1.344 3.178 1.00 0.00 H new ATOM 0 HD3 PRO A 246 8.471 -0.084 2.854 1.00 0.00 H new ATOM 922 N PRO A 247 6.497 2.962 -1.401 1.00 0.00 N ATOM 923 CA PRO A 247 5.705 4.145 -1.710 1.00 0.00 C ATOM 924 C PRO A 247 4.254 3.918 -1.269 1.00 0.00 C ATOM 925 O PRO A 247 3.857 2.789 -0.970 1.00 0.00 O ATOM 926 CB PRO A 247 5.823 4.310 -3.228 1.00 0.00 C ATOM 927 CG PRO A 247 5.973 2.869 -3.722 1.00 0.00 C ATOM 928 CD PRO A 247 6.785 2.205 -2.612 1.00 0.00 C ATOM 0 HA PRO A 247 6.047 5.041 -1.193 1.00 0.00 H new ATOM 0 HB2 PRO A 247 4.941 4.792 -3.651 1.00 0.00 H new ATOM 0 HB3 PRO A 247 6.683 4.922 -3.502 1.00 0.00 H new ATOM 0 HG2 PRO A 247 5.005 2.386 -3.857 1.00 0.00 H new ATOM 0 HG3 PRO A 247 6.489 2.823 -4.681 1.00 0.00 H new ATOM 0 HD2 PRO A 247 6.504 1.158 -2.495 1.00 0.00 H new ATOM 0 HD3 PRO A 247 7.850 2.225 -2.841 1.00 0.00 H new ATOM 936 N VAL A 248 3.435 4.969 -1.270 1.00 0.00 N ATOM 937 CA VAL A 248 2.012 4.851 -1.008 1.00 0.00 C ATOM 938 C VAL A 248 1.302 4.804 -2.366 1.00 0.00 C ATOM 939 O VAL A 248 1.616 5.576 -3.279 1.00 0.00 O ATOM 940 CB VAL A 248 1.509 5.968 -0.057 1.00 0.00 C ATOM 941 CG1 VAL A 248 0.570 5.358 0.989 1.00 0.00 C ATOM 942 CG2 VAL A 248 2.596 6.683 0.762 1.00 0.00 C ATOM 0 H VAL A 248 3.745 5.923 -1.453 1.00 0.00 H new ATOM 0 HA VAL A 248 1.782 3.932 -0.468 1.00 0.00 H new ATOM 0 HB VAL A 248 1.044 6.693 -0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 248 0.215 6.141 1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 248 -0.280 4.895 0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 248 1.107 4.604 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 248 2.135 7.444 1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 248 3.115 5.958 1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 248 3.309 7.155 0.086 1.00 0.00 H new ATOM 952 N ILE A 249 0.357 3.885 -2.524 1.00 0.00 N ATOM 953 CA ILE A 249 -0.448 3.672 -3.723 1.00 0.00 C ATOM 954 C ILE A 249 -1.919 3.827 -3.332 1.00 0.00 C ATOM 955 O ILE A 249 -2.252 3.776 -2.146 1.00 0.00 O ATOM 956 CB ILE A 249 -0.111 2.301 -4.362 1.00 0.00 C ATOM 957 CG1 ILE A 249 -0.535 1.108 -3.474 1.00 0.00 C ATOM 958 CG2 ILE A 249 1.392 2.229 -4.701 1.00 0.00 C ATOM 959 CD1 ILE A 249 -0.337 -0.258 -4.139 1.00 0.00 C ATOM 0 H ILE A 249 0.118 3.232 -1.778 1.00 0.00 H new ATOM 0 HA ILE A 249 -0.225 4.411 -4.493 1.00 0.00 H new ATOM 0 HB ILE A 249 -0.690 2.221 -5.282 1.00 0.00 H new ATOM 0 HG12 ILE A 249 0.036 1.136 -2.546 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -1.585 1.222 -3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 249 1.618 1.262 -5.149 1.00 0.00 H new ATOM 0 HG22 ILE A 249 1.645 3.023 -5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 249 1.977 2.352 -3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -0.656 -1.045 -3.456 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -0.930 -0.308 -5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 249 0.717 -0.395 -4.383 1.00 0.00 H new ATOM 971 N GLN A 250 -2.809 4.024 -4.301 1.00 0.00 N ATOM 972 CA GLN A 250 -4.235 4.124 -4.035 1.00 0.00 C ATOM 973 C GLN A 250 -4.707 2.722 -3.636 1.00 0.00 C ATOM 974 O GLN A 250 -4.418 1.754 -4.338 1.00 0.00 O ATOM 975 CB GLN A 250 -4.956 4.670 -5.288 1.00 0.00 C ATOM 976 CG GLN A 250 -6.275 5.411 -5.008 1.00 0.00 C ATOM 977 CD GLN A 250 -7.421 4.482 -4.649 1.00 0.00 C ATOM 978 OE1 GLN A 250 -8.060 3.897 -5.524 1.00 0.00 O ATOM 979 NE2 GLN A 250 -7.714 4.312 -3.372 1.00 0.00 N ATOM 0 H GLN A 250 -2.561 4.118 -5.286 1.00 0.00 H new ATOM 0 HA GLN A 250 -4.462 4.819 -3.227 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -4.281 5.347 -5.811 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -5.160 3.838 -5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -6.121 6.118 -4.193 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -6.550 5.993 -5.887 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -7.178 4.802 -2.656 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -8.477 3.691 -3.102 1.00 0.00 H new ATOM 988 N ASN A 251 -5.422 2.601 -2.513 1.00 0.00 N ATOM 989 CA ASN A 251 -6.067 1.358 -2.087 1.00 0.00 C ATOM 990 C ASN A 251 -6.917 0.810 -3.240 1.00 0.00 C ATOM 991 O ASN A 251 -7.900 1.472 -3.601 1.00 0.00 O ATOM 992 CB ASN A 251 -6.980 1.591 -0.870 1.00 0.00 C ATOM 993 CG ASN A 251 -6.870 0.514 0.186 1.00 0.00 C ATOM 994 OD1 ASN A 251 -6.676 -0.653 -0.123 1.00 0.00 O ATOM 995 ND2 ASN A 251 -7.051 0.864 1.443 1.00 0.00 N ATOM 0 H ASN A 251 -5.570 3.376 -1.866 1.00 0.00 H new ATOM 0 HA ASN A 251 -5.288 0.649 -1.809 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -6.735 2.554 -0.422 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -8.014 1.651 -1.209 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -7.031 0.156 2.177 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -7.212 1.843 1.682 1.00 0.00 H new ATOM 1002 N PRO A 252 -6.610 -0.368 -3.807 1.00 0.00 N ATOM 1003 CA PRO A 252 -7.177 -0.790 -5.086 1.00 0.00 C ATOM 1004 C PRO A 252 -8.702 -0.917 -5.058 1.00 0.00 C ATOM 1005 O PRO A 252 -9.353 -0.831 -6.105 1.00 0.00 O ATOM 1006 CB PRO A 252 -6.480 -2.112 -5.422 1.00 0.00 C ATOM 1007 CG PRO A 252 -5.976 -2.622 -4.076 1.00 0.00 C ATOM 1008 CD PRO A 252 -5.614 -1.327 -3.360 1.00 0.00 C ATOM 0 HA PRO A 252 -7.002 -0.039 -5.856 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -7.169 -2.819 -5.883 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -5.660 -1.962 -6.124 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -6.741 -3.184 -3.540 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -5.115 -3.281 -4.186 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -5.642 -1.452 -2.278 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -4.606 -1.001 -3.617 1.00 0.00 H new ATOM 1016 N GLU A 253 -9.286 -1.081 -3.868 1.00 0.00 N ATOM 1017 CA GLU A 253 -10.717 -1.026 -3.640 1.00 0.00 C ATOM 1018 C GLU A 253 -11.044 -0.376 -2.287 1.00 0.00 C ATOM 1019 O GLU A 253 -11.719 -0.947 -1.433 1.00 0.00 O ATOM 1020 CB GLU A 253 -11.289 -2.431 -3.861 1.00 0.00 C ATOM 1021 CG GLU A 253 -10.708 -3.414 -2.859 1.00 0.00 C ATOM 1022 CD GLU A 253 -11.426 -4.748 -2.874 1.00 0.00 C ATOM 1023 OE1 GLU A 253 -12.609 -4.795 -2.463 1.00 0.00 O ATOM 1024 OE2 GLU A 253 -10.801 -5.750 -3.291 1.00 0.00 O ATOM 0 H GLU A 253 -8.753 -1.261 -3.017 1.00 0.00 H new ATOM 0 HA GLU A 253 -11.212 -0.370 -4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -12.374 -2.406 -3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -11.066 -2.764 -4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -9.652 -3.571 -3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -10.765 -2.985 -1.859 1.00 0.00 H new ATOM 1031 N TYR A 254 -10.686 0.899 -2.125 1.00 0.00 N ATOM 1032 CA TYR A 254 -10.993 1.738 -0.947 1.00 0.00 C ATOM 1033 C TYR A 254 -12.501 1.948 -0.627 1.00 0.00 C ATOM 1034 O TYR A 254 -12.870 2.610 0.338 1.00 0.00 O ATOM 1035 CB TYR A 254 -10.242 3.081 -1.170 1.00 0.00 C ATOM 1036 CG TYR A 254 -10.927 4.332 -0.690 1.00 0.00 C ATOM 1037 CD1 TYR A 254 -11.966 4.901 -1.452 1.00 0.00 C ATOM 1038 CD2 TYR A 254 -10.623 4.824 0.589 1.00 0.00 C ATOM 1039 CE1 TYR A 254 -12.769 5.904 -0.884 1.00 0.00 C ATOM 1040 CE2 TYR A 254 -11.385 5.861 1.135 1.00 0.00 C ATOM 1041 CZ TYR A 254 -12.483 6.381 0.418 1.00 0.00 C ATOM 1042 OH TYR A 254 -13.273 7.323 0.995 1.00 0.00 O ATOM 0 H TYR A 254 -10.153 1.403 -2.834 1.00 0.00 H new ATOM 0 HA TYR A 254 -10.654 1.213 -0.054 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -9.273 3.014 -0.676 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -10.049 3.188 -2.237 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -12.144 4.569 -2.464 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -9.802 4.402 1.150 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -13.602 6.310 -1.439 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -11.133 6.264 2.105 1.00 0.00 H new ATOM 0 HH TYR A 254 -12.931 7.533 1.889 1.00 0.00 H new ATOM 1052 N LYS A 255 -13.365 1.175 -1.267 1.00 0.00 N ATOM 1053 CA LYS A 255 -14.805 1.095 -1.183 1.00 0.00 C ATOM 1054 C LYS A 255 -15.366 2.496 -1.409 1.00 0.00 C ATOM 1055 O LYS A 255 -15.701 3.203 -0.458 1.00 0.00 O ATOM 1056 CB LYS A 255 -15.232 0.394 0.100 1.00 0.00 C ATOM 1057 CG LYS A 255 -14.444 -0.889 0.365 1.00 0.00 C ATOM 1058 CD LYS A 255 -15.045 -1.646 1.552 1.00 0.00 C ATOM 1059 CE LYS A 255 -14.012 -2.465 2.309 1.00 0.00 C ATOM 1060 NZ LYS A 255 -12.911 -1.610 2.815 1.00 0.00 N ATOM 0 H LYS A 255 -13.018 0.500 -1.948 1.00 0.00 H new ATOM 0 HA LYS A 255 -15.233 0.465 -1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -15.102 1.075 0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -16.294 0.157 0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -14.457 -1.522 -0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -13.401 -0.648 0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -15.509 -0.934 2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -15.835 -2.306 1.194 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -14.491 -2.976 3.144 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -13.605 -3.236 1.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -12.376 -2.127 3.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -12.277 -1.360 2.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -13.308 -0.742 3.229 1.00 0.00 H new ATOM 1074 N GLY A 256 -15.360 2.891 -2.689 1.00 0.00 N ATOM 1075 CA GLY A 256 -15.524 4.249 -3.196 1.00 0.00 C ATOM 1076 C GLY A 256 -16.673 5.004 -2.549 1.00 0.00 C ATOM 1077 O GLY A 256 -16.536 6.196 -2.280 1.00 0.00 O ATOM 0 H GLY A 256 -15.231 2.219 -3.446 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -14.599 4.803 -3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -15.687 4.209 -4.273 1.00 0.00 H new ATOM 1081 N GLU A 257 -17.775 4.316 -2.266 1.00 0.00 N ATOM 1082 CA GLU A 257 -18.736 4.689 -1.269 1.00 0.00 C ATOM 1083 C GLU A 257 -19.063 3.447 -0.440 1.00 0.00 C ATOM 1084 O GLU A 257 -19.033 2.318 -0.941 1.00 0.00 O ATOM 1085 CB GLU A 257 -19.991 5.195 -1.988 1.00 0.00 C ATOM 1086 CG GLU A 257 -20.009 6.697 -2.317 1.00 0.00 C ATOM 1087 CD GLU A 257 -19.339 7.153 -3.623 1.00 0.00 C ATOM 1088 OE1 GLU A 257 -19.454 6.459 -4.667 1.00 0.00 O ATOM 1089 OE2 GLU A 257 -18.921 8.336 -3.675 1.00 0.00 O ATOM 0 H GLU A 257 -18.020 3.453 -2.751 1.00 0.00 H new ATOM 0 HA GLU A 257 -18.354 5.471 -0.613 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -20.106 4.637 -2.917 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -20.859 4.966 -1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -21.049 7.022 -2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -19.531 7.226 -1.493 1.00 0.00 H new ATOM 1096 N TRP A 258 -19.423 3.662 0.828 1.00 0.00 N ATOM 1097 CA TRP A 258 -20.178 2.684 1.594 1.00 0.00 C ATOM 1098 C TRP A 258 -21.601 2.550 1.058 1.00 0.00 C ATOM 1099 O TRP A 258 -22.137 3.502 0.477 1.00 0.00 O ATOM 1100 CB TRP A 258 -20.141 3.037 3.076 1.00 0.00 C ATOM 1101 CG TRP A 258 -21.162 2.326 3.903 1.00 0.00 C ATOM 1102 CD1 TRP A 258 -21.022 1.136 4.525 1.00 0.00 C ATOM 1103 CD2 TRP A 258 -22.566 2.673 4.034 1.00 0.00 C ATOM 1104 NE1 TRP A 258 -22.213 0.794 5.126 1.00 0.00 N ATOM 1105 CE2 TRP A 258 -23.219 1.671 4.802 1.00 0.00 C ATOM 1106 CE3 TRP A 258 -23.368 3.667 3.446 1.00 0.00 C ATOM 1107 CZ2 TRP A 258 -24.600 1.689 5.034 1.00 0.00 C ATOM 1108 CZ3 TRP A 258 -24.761 3.629 3.571 1.00 0.00 C ATOM 1109 CH2 TRP A 258 -25.374 2.668 4.394 1.00 0.00 C ATOM 0 H TRP A 258 -19.199 4.513 1.343 1.00 0.00 H new ATOM 0 HA TRP A 258 -19.712 1.705 1.481 1.00 0.00 H new ATOM 0 HB2 TRP A 258 -19.150 2.808 3.467 1.00 0.00 H new ATOM 0 HB3 TRP A 258 -20.286 4.112 3.185 1.00 0.00 H new ATOM 0 HD1 TRP A 258 -20.118 0.545 4.548 1.00 0.00 H new ATOM 0 HE1 TRP A 258 -22.333 -0.013 5.738 1.00 0.00 H new ATOM 0 HE3 TRP A 258 -22.903 4.469 2.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 258 -25.059 0.965 5.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 258 -25.368 4.341 3.033 1.00 0.00 H new ATOM 0 HH2 TRP A 258 -26.445 2.684 4.534 1.00 0.00 H new ATOM 1120 N LYS A 259 -22.213 1.372 1.265 1.00 0.00 N ATOM 1121 CA LYS A 259 -23.563 1.070 0.806 1.00 0.00 C ATOM 1122 C LYS A 259 -24.271 0.139 1.796 1.00 0.00 C ATOM 1123 O LYS A 259 -23.614 -0.696 2.432 1.00 0.00 O ATOM 1124 CB LYS A 259 -23.532 0.424 -0.597 1.00 0.00 C ATOM 1125 CG LYS A 259 -22.440 1.017 -1.505 1.00 0.00 C ATOM 1126 CD LYS A 259 -22.481 0.540 -2.955 1.00 0.00 C ATOM 1127 CE LYS A 259 -23.565 1.243 -3.773 1.00 0.00 C ATOM 1128 NZ LYS A 259 -23.239 2.653 -4.045 1.00 0.00 N ATOM 0 H LYS A 259 -21.772 0.599 1.763 1.00 0.00 H new ATOM 0 HA LYS A 259 -24.117 2.007 0.746 1.00 0.00 H new ATOM 0 HB2 LYS A 259 -23.369 -0.649 -0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 259 -24.504 0.554 -1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 259 -22.528 2.103 -1.492 1.00 0.00 H new ATOM 0 HG3 LYS A 259 -21.465 0.771 -1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 259 -21.510 0.714 -3.419 1.00 0.00 H new ATOM 0 HD3 LYS A 259 -22.655 -0.536 -2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 259 -23.702 0.716 -4.717 1.00 0.00 H new ATOM 0 HE3 LYS A 259 -24.513 1.189 -3.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 259 -23.891 3.028 -4.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 259 -23.333 3.206 -3.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 259 -22.262 2.722 -4.395 1.00 0.00 H new ATOM 1142 N PRO A 260 -25.605 0.226 1.923 1.00 0.00 N ATOM 1143 CA PRO A 260 -26.393 -0.658 2.763 1.00 0.00 C ATOM 1144 C PRO A 260 -26.706 -1.959 2.015 1.00 0.00 C ATOM 1145 O PRO A 260 -27.786 -2.113 1.443 1.00 0.00 O ATOM 1146 CB PRO A 260 -27.647 0.143 3.115 1.00 0.00 C ATOM 1147 CG PRO A 260 -27.861 1.015 1.877 1.00 0.00 C ATOM 1148 CD PRO A 260 -26.458 1.232 1.311 1.00 0.00 C ATOM 0 HA PRO A 260 -25.871 -0.966 3.669 1.00 0.00 H new ATOM 0 HB2 PRO A 260 -28.501 -0.507 3.302 1.00 0.00 H new ATOM 0 HB3 PRO A 260 -27.502 0.745 4.012 1.00 0.00 H new ATOM 0 HG2 PRO A 260 -28.509 0.522 1.152 1.00 0.00 H new ATOM 0 HG3 PRO A 260 -28.335 1.962 2.136 1.00 0.00 H new ATOM 0 HD2 PRO A 260 -26.458 1.132 0.226 1.00 0.00 H new ATOM 0 HD3 PRO A 260 -26.099 2.236 1.539 1.00 0.00 H new ATOM 1156 N ARG A 261 -25.779 -2.916 2.070 1.00 0.00 N ATOM 1157 CA ARG A 261 -25.875 -4.217 1.416 1.00 0.00 C ATOM 1158 C ARG A 261 -26.062 -3.999 -0.081 1.00 0.00 C ATOM 1159 O ARG A 261 -26.953 -4.633 -0.689 1.00 0.00 O ATOM 1160 CB ARG A 261 -26.944 -5.083 2.119 1.00 0.00 C ATOM 1161 CG ARG A 261 -26.801 -6.578 1.797 1.00 0.00 C ATOM 1162 CD ARG A 261 -27.966 -7.396 2.354 1.00 0.00 C ATOM 1163 NE ARG A 261 -28.000 -7.385 3.825 1.00 0.00 N ATOM 1164 CZ ARG A 261 -29.064 -7.634 4.595 1.00 0.00 C ATOM 1165 NH1 ARG A 261 -30.250 -7.942 4.076 1.00 0.00 N ATOM 1166 NH2 ARG A 261 -28.918 -7.598 5.910 1.00 0.00 N ATOM 0 H ARG A 261 -24.910 -2.800 2.591 1.00 0.00 H new ATOM 0 HA ARG A 261 -24.958 -4.798 1.513 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -26.871 -4.939 3.197 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -27.935 -4.744 1.819 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -26.747 -6.713 0.717 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -25.865 -6.951 2.212 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -28.904 -6.998 1.968 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -27.887 -8.424 2.002 1.00 0.00 H new ATOM 0 HE ARG A 261 -27.126 -7.166 4.304 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -30.366 -7.993 3.064 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -31.043 -8.127 4.690 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -28.007 -7.383 6.316 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -29.716 -7.785 6.517 1.00 0.00 H new