USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=4 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 214 SER OG : rot 180:sc= 0 USER MOD Single : A 215 LYS NZ :NH3+ -168:sc= 0.123 (180deg=-0.292!) USER MOD Single : A 221 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 224 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 232 LYS NZ :NH3+ 164:sc= 0.923 (180deg=0.779) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 250 GLN : amide:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : A 251 ASN : amide:sc= 0.712 K(o=0.71,f=-13!) USER MOD Single : A 254 TYR OH : rot 180:sc= 0 USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 259 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 123 N ASP A 195 -15.856 28.217 6.418 1.00 0.00 N ATOM 124 CA ASP A 195 -15.959 28.071 4.967 1.00 0.00 C ATOM 125 C ASP A 195 -16.223 26.617 4.568 1.00 0.00 C ATOM 126 O ASP A 195 -17.346 26.279 4.201 1.00 0.00 O ATOM 127 CB ASP A 195 -14.761 28.698 4.235 1.00 0.00 C ATOM 128 CG ASP A 195 -14.669 28.263 2.770 1.00 0.00 C ATOM 129 OD1 ASP A 195 -15.710 27.974 2.135 1.00 0.00 O ATOM 130 OD2 ASP A 195 -13.526 28.184 2.263 1.00 0.00 O ATOM 0 HA ASP A 195 -16.829 28.639 4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 195 -14.839 29.784 4.283 1.00 0.00 H new ATOM 0 HB3 ASP A 195 -13.841 28.422 4.750 1.00 0.00 H new ATOM 135 N ALA A 196 -15.229 25.742 4.664 1.00 0.00 N ATOM 136 CA ALA A 196 -15.165 24.457 3.967 1.00 0.00 C ATOM 137 C ALA A 196 -15.184 23.269 4.939 1.00 0.00 C ATOM 138 O ALA A 196 -14.529 22.258 4.696 1.00 0.00 O ATOM 139 CB ALA A 196 -13.935 24.460 3.050 1.00 0.00 C ATOM 0 H ALA A 196 -14.413 25.912 5.251 1.00 0.00 H new ATOM 0 HA ALA A 196 -16.058 24.330 3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 196 -13.872 23.508 2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 196 -14.022 25.271 2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 196 -13.035 24.603 3.649 1.00 0.00 H new ATOM 145 N ALA A 197 -15.940 23.394 6.037 1.00 0.00 N ATOM 146 CA ALA A 197 -15.853 22.574 7.252 1.00 0.00 C ATOM 147 C ALA A 197 -14.533 22.839 7.987 1.00 0.00 C ATOM 148 O ALA A 197 -13.731 23.671 7.553 1.00 0.00 O ATOM 149 CB ALA A 197 -16.095 21.078 6.986 1.00 0.00 C ATOM 0 H ALA A 197 -16.666 24.107 6.105 1.00 0.00 H new ATOM 0 HA ALA A 197 -16.667 22.879 7.910 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -16.018 20.525 7.922 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -17.091 20.940 6.564 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -15.349 20.708 6.283 1.00 0.00 H new ATOM 155 N LYS A 198 -14.344 22.205 9.149 1.00 0.00 N ATOM 156 CA LYS A 198 -13.263 22.529 10.078 1.00 0.00 C ATOM 157 C LYS A 198 -12.465 21.277 10.422 1.00 0.00 C ATOM 158 O LYS A 198 -12.786 20.637 11.421 1.00 0.00 O ATOM 159 CB LYS A 198 -13.795 23.290 11.306 1.00 0.00 C ATOM 160 CG LYS A 198 -14.902 22.632 12.159 1.00 0.00 C ATOM 161 CD LYS A 198 -15.370 23.639 13.225 1.00 0.00 C ATOM 162 CE LYS A 198 -16.847 24.030 13.126 1.00 0.00 C ATOM 163 NZ LYS A 198 -17.168 25.092 14.103 1.00 0.00 N ATOM 0 H LYS A 198 -14.944 21.446 9.472 1.00 0.00 H new ATOM 0 HA LYS A 198 -12.564 23.212 9.595 1.00 0.00 H new ATOM 0 HB2 LYS A 198 -12.949 23.494 11.962 1.00 0.00 H new ATOM 0 HB3 LYS A 198 -14.171 24.253 10.962 1.00 0.00 H new ATOM 0 HG2 LYS A 198 -15.739 22.335 11.527 1.00 0.00 H new ATOM 0 HG3 LYS A 198 -14.524 21.727 12.635 1.00 0.00 H new ATOM 0 HD2 LYS A 198 -15.185 23.216 14.212 1.00 0.00 H new ATOM 0 HD3 LYS A 198 -14.763 24.541 13.146 1.00 0.00 H new ATOM 0 HE2 LYS A 198 -17.071 24.376 12.117 1.00 0.00 H new ATOM 0 HE3 LYS A 198 -17.473 23.157 13.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 198 -18.173 25.345 14.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 198 -16.973 24.749 15.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 198 -16.583 25.930 13.909 1.00 0.00 H new ATOM 177 N PRO A 199 -11.453 20.901 9.622 1.00 0.00 N ATOM 178 CA PRO A 199 -10.549 19.798 9.929 1.00 0.00 C ATOM 179 C PRO A 199 -9.641 20.151 11.128 1.00 0.00 C ATOM 180 O PRO A 199 -8.427 20.321 11.002 1.00 0.00 O ATOM 181 CB PRO A 199 -9.798 19.503 8.617 1.00 0.00 C ATOM 182 CG PRO A 199 -10.444 20.382 7.553 1.00 0.00 C ATOM 183 CD PRO A 199 -11.080 21.506 8.354 1.00 0.00 C ATOM 0 HA PRO A 199 -11.067 18.896 10.254 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -8.736 19.728 8.717 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -9.876 18.449 8.352 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -9.707 20.762 6.845 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -11.187 19.832 6.975 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -10.382 22.330 8.500 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -11.951 21.913 7.840 1.00 0.00 H new ATOM 191 N GLU A 200 -10.252 20.315 12.298 1.00 0.00 N ATOM 192 CA GLU A 200 -9.627 20.519 13.591 1.00 0.00 C ATOM 193 C GLU A 200 -10.585 20.064 14.685 1.00 0.00 C ATOM 194 O GLU A 200 -10.183 19.343 15.593 1.00 0.00 O ATOM 195 CB GLU A 200 -9.173 21.984 13.789 1.00 0.00 C ATOM 196 CG GLU A 200 -10.262 23.063 13.609 1.00 0.00 C ATOM 197 CD GLU A 200 -9.789 24.489 13.915 1.00 0.00 C ATOM 198 OE1 GLU A 200 -8.669 24.717 14.439 1.00 0.00 O ATOM 199 OE2 GLU A 200 -10.553 25.443 13.649 1.00 0.00 O ATOM 0 H GLU A 200 -11.270 20.307 12.367 1.00 0.00 H new ATOM 0 HA GLU A 200 -8.720 19.917 13.645 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -8.756 22.081 14.791 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -8.366 22.191 13.086 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -10.629 23.026 12.583 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -11.105 22.825 14.258 1.00 0.00 H new ATOM 206 N ASP A 201 -11.864 20.427 14.587 1.00 0.00 N ATOM 207 CA ASP A 201 -12.805 20.314 15.700 1.00 0.00 C ATOM 208 C ASP A 201 -14.197 20.179 15.118 1.00 0.00 C ATOM 209 O ASP A 201 -15.093 20.997 15.348 1.00 0.00 O ATOM 210 CB ASP A 201 -12.744 21.549 16.624 1.00 0.00 C ATOM 211 CG ASP A 201 -11.503 21.660 17.496 1.00 0.00 C ATOM 212 OD1 ASP A 201 -11.499 21.098 18.614 1.00 0.00 O ATOM 213 OD2 ASP A 201 -10.598 22.452 17.146 1.00 0.00 O ATOM 0 H ASP A 201 -12.276 20.807 13.735 1.00 0.00 H new ATOM 0 HA ASP A 201 -12.545 19.444 16.303 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -12.813 22.445 16.007 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -13.621 21.539 17.271 1.00 0.00 H new ATOM 218 N TRP A 202 -14.383 19.129 14.338 1.00 0.00 N ATOM 219 CA TRP A 202 -15.711 18.687 13.954 1.00 0.00 C ATOM 220 C TRP A 202 -15.881 17.238 14.366 1.00 0.00 C ATOM 221 O TRP A 202 -16.859 16.914 15.034 1.00 0.00 O ATOM 222 CB TRP A 202 -15.974 18.946 12.463 1.00 0.00 C ATOM 223 CG TRP A 202 -15.223 18.138 11.446 1.00 0.00 C ATOM 224 CD1 TRP A 202 -13.892 17.888 11.411 1.00 0.00 C ATOM 225 CD2 TRP A 202 -15.781 17.430 10.302 1.00 0.00 C ATOM 226 NE1 TRP A 202 -13.596 17.060 10.349 1.00 0.00 N ATOM 227 CE2 TRP A 202 -14.729 16.744 9.630 1.00 0.00 C ATOM 228 CE3 TRP A 202 -17.083 17.291 9.779 1.00 0.00 C ATOM 229 CZ2 TRP A 202 -14.969 15.947 8.504 1.00 0.00 C ATOM 230 CZ3 TRP A 202 -17.339 16.464 8.672 1.00 0.00 C ATOM 231 CH2 TRP A 202 -16.284 15.792 8.037 1.00 0.00 C ATOM 0 H TRP A 202 -13.625 18.563 13.956 1.00 0.00 H new ATOM 0 HA TRP A 202 -16.471 19.268 14.477 1.00 0.00 H new ATOM 0 HB2 TRP A 202 -17.039 18.794 12.284 1.00 0.00 H new ATOM 0 HB3 TRP A 202 -15.765 19.998 12.269 1.00 0.00 H new ATOM 0 HD1 TRP A 202 -13.169 18.280 12.112 1.00 0.00 H new ATOM 0 HE1 TRP A 202 -12.659 16.724 10.124 1.00 0.00 H new ATOM 0 HE3 TRP A 202 -17.899 17.830 10.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 202 -14.150 15.456 7.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 202 -18.349 16.346 8.310 1.00 0.00 H new ATOM 0 HH2 TRP A 202 -16.483 15.155 7.188 1.00 0.00 H new ATOM 242 N ASP A 203 -14.919 16.405 13.966 1.00 0.00 N ATOM 243 CA ASP A 203 -14.919 14.961 14.031 1.00 0.00 C ATOM 244 C ASP A 203 -16.282 14.453 13.589 1.00 0.00 C ATOM 245 O ASP A 203 -17.149 14.080 14.383 1.00 0.00 O ATOM 246 CB ASP A 203 -14.373 14.410 15.350 1.00 0.00 C ATOM 247 CG ASP A 203 -14.820 15.079 16.647 1.00 0.00 C ATOM 248 OD1 ASP A 203 -14.480 16.259 16.887 1.00 0.00 O ATOM 249 OD2 ASP A 203 -15.438 14.420 17.519 1.00 0.00 O ATOM 0 H ASP A 203 -14.055 16.762 13.557 1.00 0.00 H new ATOM 0 HA ASP A 203 -14.195 14.552 13.326 1.00 0.00 H new ATOM 0 HB2 ASP A 203 -14.643 13.356 15.408 1.00 0.00 H new ATOM 0 HB3 ASP A 203 -13.285 14.459 15.307 1.00 0.00 H new ATOM 254 N GLU A 204 -16.485 14.541 12.268 1.00 0.00 N ATOM 255 CA GLU A 204 -17.732 14.232 11.566 1.00 0.00 C ATOM 256 C GLU A 204 -18.889 15.136 12.035 1.00 0.00 C ATOM 257 O GLU A 204 -20.070 14.850 11.829 1.00 0.00 O ATOM 258 CB GLU A 204 -18.004 12.721 11.675 1.00 0.00 C ATOM 259 CG GLU A 204 -17.776 11.982 10.344 1.00 0.00 C ATOM 260 CD GLU A 204 -16.311 11.790 9.979 1.00 0.00 C ATOM 261 OE1 GLU A 204 -15.507 11.429 10.876 1.00 0.00 O ATOM 262 OE2 GLU A 204 -15.954 12.041 8.804 1.00 0.00 O ATOM 0 H GLU A 204 -15.748 14.844 11.632 1.00 0.00 H new ATOM 0 HA GLU A 204 -17.638 14.461 10.504 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -17.356 12.293 12.440 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -19.031 12.563 12.003 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -18.256 11.005 10.397 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -18.268 12.536 9.545 1.00 0.00 H new ATOM 269 N ARG A 205 -18.543 16.271 12.651 1.00 0.00 N ATOM 270 CA ARG A 205 -19.424 17.208 13.342 1.00 0.00 C ATOM 271 C ARG A 205 -20.246 16.498 14.419 1.00 0.00 C ATOM 272 O ARG A 205 -21.371 16.903 14.717 1.00 0.00 O ATOM 273 CB ARG A 205 -20.217 18.013 12.306 1.00 0.00 C ATOM 274 CG ARG A 205 -20.303 19.508 12.635 1.00 0.00 C ATOM 275 CD ARG A 205 -21.453 19.872 13.581 1.00 0.00 C ATOM 276 NE ARG A 205 -22.297 20.907 12.978 1.00 0.00 N ATOM 277 CZ ARG A 205 -22.141 22.227 13.026 1.00 0.00 C ATOM 278 NH1 ARG A 205 -21.199 22.777 13.787 1.00 0.00 N ATOM 279 NH2 ARG A 205 -22.945 22.995 12.302 1.00 0.00 N ATOM 0 H ARG A 205 -17.571 16.577 12.680 1.00 0.00 H new ATOM 0 HA ARG A 205 -18.852 17.944 13.906 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -19.753 17.890 11.328 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -21.225 17.605 12.234 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -19.362 19.826 13.084 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -20.418 20.068 11.707 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -22.050 18.986 13.797 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -21.053 20.226 14.531 1.00 0.00 H new ATOM 0 HE ARG A 205 -23.107 20.573 12.455 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -20.584 22.185 14.345 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -21.092 23.791 13.813 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -23.668 22.571 11.721 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -22.840 24.009 12.327 1.00 0.00 H new ATOM 293 N ALA A 206 -19.652 15.468 15.025 1.00 0.00 N ATOM 294 CA ALA A 206 -20.229 14.522 15.960 1.00 0.00 C ATOM 295 C ALA A 206 -21.306 13.662 15.291 1.00 0.00 C ATOM 296 O ALA A 206 -22.395 14.142 14.973 1.00 0.00 O ATOM 297 CB ALA A 206 -20.710 15.219 17.233 1.00 0.00 C ATOM 0 H ALA A 206 -18.668 15.264 14.853 1.00 0.00 H new ATOM 0 HA ALA A 206 -19.447 13.831 16.274 1.00 0.00 H new ATOM 0 HB1 ALA A 206 -21.137 14.481 17.912 1.00 0.00 H new ATOM 0 HB2 ALA A 206 -19.868 15.714 17.717 1.00 0.00 H new ATOM 0 HB3 ALA A 206 -21.468 15.959 16.978 1.00 0.00 H new ATOM 408 N SER A 214 -23.383 0.687 10.340 1.00 0.00 N ATOM 409 CA SER A 214 -23.339 1.490 9.147 1.00 0.00 C ATOM 410 C SER A 214 -21.889 1.952 9.023 1.00 0.00 C ATOM 411 O SER A 214 -21.598 3.144 9.120 1.00 0.00 O ATOM 412 CB SER A 214 -24.290 2.657 9.357 1.00 0.00 C ATOM 413 OG SER A 214 -25.624 2.345 9.002 1.00 0.00 O ATOM 0 HA SER A 214 -23.639 0.966 8.240 1.00 0.00 H new ATOM 0 HB2 SER A 214 -24.259 2.962 10.403 1.00 0.00 H new ATOM 0 HB3 SER A 214 -23.951 3.508 8.766 1.00 0.00 H new ATOM 0 HG SER A 214 -26.195 3.126 9.157 1.00 0.00 H new ATOM 419 N LYS A 215 -20.977 0.991 8.856 1.00 0.00 N ATOM 420 CA LYS A 215 -19.530 1.162 8.710 1.00 0.00 C ATOM 421 C LYS A 215 -18.834 1.406 10.070 1.00 0.00 C ATOM 422 O LYS A 215 -19.358 2.125 10.920 1.00 0.00 O ATOM 423 CB LYS A 215 -19.203 2.229 7.637 1.00 0.00 C ATOM 424 CG LYS A 215 -18.401 3.432 8.119 1.00 0.00 C ATOM 425 CD LYS A 215 -18.361 4.505 7.025 1.00 0.00 C ATOM 426 CE LYS A 215 -17.158 4.382 6.092 1.00 0.00 C ATOM 427 NZ LYS A 215 -17.100 5.511 5.140 1.00 0.00 N ATOM 0 H LYS A 215 -21.248 0.008 8.817 1.00 0.00 H new ATOM 0 HA LYS A 215 -19.110 0.225 8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -18.650 1.748 6.830 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -20.140 2.588 7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -18.850 3.840 9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -17.387 3.125 8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -19.276 4.445 6.435 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -18.348 5.489 7.493 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -16.241 4.352 6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -17.216 3.442 5.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -16.404 5.302 4.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -18.036 5.650 4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -16.819 6.376 5.644 1.00 0.00 H new ATOM 441 N PRO A 216 -17.654 0.806 10.295 1.00 0.00 N ATOM 442 CA PRO A 216 -16.737 1.101 11.387 1.00 0.00 C ATOM 443 C PRO A 216 -15.656 2.110 10.957 1.00 0.00 C ATOM 444 O PRO A 216 -15.463 2.411 9.774 1.00 0.00 O ATOM 445 CB PRO A 216 -16.113 -0.261 11.713 1.00 0.00 C ATOM 446 CG PRO A 216 -16.015 -0.936 10.348 1.00 0.00 C ATOM 447 CD PRO A 216 -17.253 -0.407 9.627 1.00 0.00 C ATOM 0 HA PRO A 216 -17.238 1.557 12.241 1.00 0.00 H new ATOM 0 HB2 PRO A 216 -15.134 -0.154 12.180 1.00 0.00 H new ATOM 0 HB3 PRO A 216 -16.734 -0.834 12.402 1.00 0.00 H new ATOM 0 HG2 PRO A 216 -15.096 -0.666 9.827 1.00 0.00 H new ATOM 0 HG3 PRO A 216 -16.027 -2.023 10.431 1.00 0.00 H new ATOM 0 HD2 PRO A 216 -17.032 -0.213 8.577 1.00 0.00 H new ATOM 0 HD3 PRO A 216 -18.056 -1.143 9.653 1.00 0.00 H new ATOM 455 N GLU A 217 -14.853 2.561 11.916 1.00 0.00 N ATOM 456 CA GLU A 217 -13.758 3.520 11.752 1.00 0.00 C ATOM 457 C GLU A 217 -12.584 2.992 10.910 1.00 0.00 C ATOM 458 O GLU A 217 -11.631 3.712 10.608 1.00 0.00 O ATOM 459 CB GLU A 217 -13.262 3.958 13.143 1.00 0.00 C ATOM 460 CG GLU A 217 -12.596 2.853 13.988 1.00 0.00 C ATOM 461 CD GLU A 217 -13.594 2.010 14.785 1.00 0.00 C ATOM 462 OE1 GLU A 217 -14.230 1.112 14.188 1.00 0.00 O ATOM 463 OE2 GLU A 217 -13.729 2.232 16.012 1.00 0.00 O ATOM 0 H GLU A 217 -14.952 2.252 12.883 1.00 0.00 H new ATOM 0 HA GLU A 217 -14.159 4.368 11.197 1.00 0.00 H new ATOM 0 HB2 GLU A 217 -12.550 4.773 13.016 1.00 0.00 H new ATOM 0 HB3 GLU A 217 -14.108 4.359 13.702 1.00 0.00 H new ATOM 0 HG2 GLU A 217 -12.023 2.199 13.330 1.00 0.00 H new ATOM 0 HG3 GLU A 217 -11.887 3.311 14.678 1.00 0.00 H new ATOM 470 N ASP A 218 -12.640 1.721 10.535 1.00 0.00 N ATOM 471 CA ASP A 218 -11.544 0.949 9.944 1.00 0.00 C ATOM 472 C ASP A 218 -11.887 0.463 8.533 1.00 0.00 C ATOM 473 O ASP A 218 -10.993 0.189 7.735 1.00 0.00 O ATOM 474 CB ASP A 218 -11.218 -0.218 10.878 1.00 0.00 C ATOM 475 CG ASP A 218 -10.155 -1.155 10.301 1.00 0.00 C ATOM 476 OD1 ASP A 218 -10.516 -2.068 9.519 1.00 0.00 O ATOM 477 OD2 ASP A 218 -8.981 -1.042 10.709 1.00 0.00 O ATOM 0 H ASP A 218 -13.491 1.169 10.638 1.00 0.00 H new ATOM 0 HA ASP A 218 -10.667 1.588 9.837 1.00 0.00 H new ATOM 0 HB2 ASP A 218 -10.871 0.173 11.835 1.00 0.00 H new ATOM 0 HB3 ASP A 218 -12.128 -0.785 11.076 1.00 0.00 H new ATOM 482 N TRP A 219 -13.178 0.400 8.188 1.00 0.00 N ATOM 483 CA TRP A 219 -13.645 0.119 6.830 1.00 0.00 C ATOM 484 C TRP A 219 -13.096 1.143 5.850 1.00 0.00 C ATOM 485 O TRP A 219 -12.785 0.811 4.707 1.00 0.00 O ATOM 486 CB TRP A 219 -15.177 0.160 6.811 1.00 0.00 C ATOM 487 CG TRP A 219 -15.855 0.200 5.473 1.00 0.00 C ATOM 488 CD1 TRP A 219 -15.965 1.279 4.660 1.00 0.00 C ATOM 489 CD2 TRP A 219 -16.509 -0.893 4.767 1.00 0.00 C ATOM 490 NE1 TRP A 219 -16.641 0.932 3.509 1.00 0.00 N ATOM 491 CE2 TRP A 219 -16.988 -0.395 3.524 1.00 0.00 C ATOM 492 CE3 TRP A 219 -16.725 -2.261 5.031 1.00 0.00 C ATOM 493 CZ2 TRP A 219 -17.641 -1.206 2.596 1.00 0.00 C ATOM 494 CZ3 TRP A 219 -17.419 -3.081 4.121 1.00 0.00 C ATOM 495 CH2 TRP A 219 -17.874 -2.555 2.899 1.00 0.00 C ATOM 0 H TRP A 219 -13.936 0.545 8.855 1.00 0.00 H new ATOM 0 HA TRP A 219 -13.292 -0.868 6.530 1.00 0.00 H new ATOM 0 HB2 TRP A 219 -15.543 -0.716 7.347 1.00 0.00 H new ATOM 0 HB3 TRP A 219 -15.497 1.036 7.376 1.00 0.00 H new ATOM 0 HD1 TRP A 219 -15.581 2.264 4.881 1.00 0.00 H new ATOM 0 HE1 TRP A 219 -16.855 1.576 2.748 1.00 0.00 H new ATOM 0 HE3 TRP A 219 -16.351 -2.688 5.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 219 -17.965 -0.798 1.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 219 -17.603 -4.118 4.362 1.00 0.00 H new ATOM 0 HH2 TRP A 219 -18.400 -3.186 2.198 1.00 0.00 H new ATOM 506 N ASP A 220 -13.065 2.401 6.294 1.00 0.00 N ATOM 507 CA ASP A 220 -12.863 3.550 5.434 1.00 0.00 C ATOM 508 C ASP A 220 -11.381 3.640 5.113 1.00 0.00 C ATOM 509 O ASP A 220 -10.600 4.208 5.883 1.00 0.00 O ATOM 510 CB ASP A 220 -13.437 4.815 6.094 1.00 0.00 C ATOM 511 CG ASP A 220 -14.108 5.773 5.108 1.00 0.00 C ATOM 512 OD1 ASP A 220 -14.548 5.311 4.031 1.00 0.00 O ATOM 513 OD2 ASP A 220 -14.478 6.901 5.510 1.00 0.00 O ATOM 0 H ASP A 220 -13.182 2.645 7.277 1.00 0.00 H new ATOM 0 HA ASP A 220 -13.401 3.447 4.492 1.00 0.00 H new ATOM 0 HB2 ASP A 220 -14.163 4.521 6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 220 -12.634 5.342 6.609 1.00 0.00 H new ATOM 518 N LYS A 221 -10.983 2.935 4.056 1.00 0.00 N ATOM 519 CA LYS A 221 -9.583 2.690 3.734 1.00 0.00 C ATOM 520 C LYS A 221 -8.884 3.982 3.352 1.00 0.00 C ATOM 521 O LYS A 221 -9.549 4.910 2.896 1.00 0.00 O ATOM 522 CB LYS A 221 -9.466 1.645 2.605 1.00 0.00 C ATOM 523 CG LYS A 221 -8.846 0.327 3.105 1.00 0.00 C ATOM 524 CD LYS A 221 -9.497 -0.289 4.343 1.00 0.00 C ATOM 525 CE LYS A 221 -10.275 -1.570 4.056 1.00 0.00 C ATOM 526 NZ LYS A 221 -9.364 -2.730 3.983 1.00 0.00 N ATOM 0 H LYS A 221 -11.633 2.514 3.393 1.00 0.00 H new ATOM 0 HA LYS A 221 -9.090 2.292 4.621 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -10.454 1.447 2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -8.856 2.050 1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -8.888 -0.402 2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -7.792 0.503 3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -8.724 -0.502 5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -10.171 0.442 4.790 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -11.017 -1.733 4.837 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -10.818 -1.468 3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -9.913 -3.591 3.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -8.672 -2.580 3.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -8.865 -2.837 4.889 1.00 0.00 H new ATOM 540 N PRO A 222 -7.549 4.027 3.470 1.00 0.00 N ATOM 541 CA PRO A 222 -6.794 5.128 2.922 1.00 0.00 C ATOM 542 C PRO A 222 -7.033 5.197 1.416 1.00 0.00 C ATOM 543 O PRO A 222 -7.028 4.170 0.725 1.00 0.00 O ATOM 544 CB PRO A 222 -5.325 4.828 3.221 1.00 0.00 C ATOM 545 CG PRO A 222 -5.334 3.693 4.244 1.00 0.00 C ATOM 546 CD PRO A 222 -6.657 2.994 3.973 1.00 0.00 C ATOM 0 HA PRO A 222 -7.088 6.085 3.353 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -4.793 4.535 2.316 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -4.819 5.708 3.617 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -4.487 3.020 4.107 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -5.279 4.070 5.265 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -6.535 2.193 3.244 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -7.054 2.541 4.881 1.00 0.00 H new ATOM 554 N GLU A 223 -7.190 6.412 0.910 1.00 0.00 N ATOM 555 CA GLU A 223 -7.062 6.746 -0.491 1.00 0.00 C ATOM 556 C GLU A 223 -5.651 6.368 -0.955 1.00 0.00 C ATOM 557 O GLU A 223 -5.511 5.642 -1.938 1.00 0.00 O ATOM 558 CB GLU A 223 -7.313 8.253 -0.660 1.00 0.00 C ATOM 559 CG GLU A 223 -8.765 8.695 -0.430 1.00 0.00 C ATOM 560 CD GLU A 223 -9.130 9.112 0.995 1.00 0.00 C ATOM 561 OE1 GLU A 223 -8.761 8.434 1.984 1.00 0.00 O ATOM 562 OE2 GLU A 223 -9.795 10.172 1.142 1.00 0.00 O ATOM 0 H GLU A 223 -7.419 7.219 1.491 1.00 0.00 H new ATOM 0 HA GLU A 223 -7.788 6.201 -1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -6.669 8.794 0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -7.014 8.546 -1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -8.977 9.531 -1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -9.422 7.877 -0.726 1.00 0.00 H new ATOM 569 N HIS A 224 -4.618 6.849 -0.254 1.00 0.00 N ATOM 570 CA HIS A 224 -3.220 6.516 -0.518 1.00 0.00 C ATOM 571 C HIS A 224 -2.768 5.375 0.392 1.00 0.00 C ATOM 572 O HIS A 224 -2.697 5.541 1.615 1.00 0.00 O ATOM 573 CB HIS A 224 -2.311 7.737 -0.338 1.00 0.00 C ATOM 574 CG HIS A 224 -2.687 8.874 -1.242 1.00 0.00 C ATOM 575 ND1 HIS A 224 -3.322 10.033 -0.869 1.00 0.00 N ATOM 576 CD2 HIS A 224 -2.499 8.913 -2.592 1.00 0.00 C ATOM 577 CE1 HIS A 224 -3.500 10.770 -1.979 1.00 0.00 C ATOM 578 NE2 HIS A 224 -3.004 10.133 -3.055 1.00 0.00 N ATOM 0 H HIS A 224 -4.737 7.493 0.528 1.00 0.00 H new ATOM 0 HA HIS A 224 -3.141 6.193 -1.556 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -2.358 8.071 0.699 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -1.278 7.449 -0.533 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -2.043 8.142 -3.195 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -3.975 11.739 -2.004 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -2.997 10.472 -4.017 1.00 0.00 H new ATOM 586 N ILE A 225 -2.422 4.231 -0.196 1.00 0.00 N ATOM 587 CA ILE A 225 -1.888 3.077 0.517 1.00 0.00 C ATOM 588 C ILE A 225 -0.439 2.813 0.095 1.00 0.00 C ATOM 589 O ILE A 225 -0.069 3.138 -1.035 1.00 0.00 O ATOM 590 CB ILE A 225 -2.776 1.844 0.292 1.00 0.00 C ATOM 591 CG1 ILE A 225 -2.812 1.345 -1.173 1.00 0.00 C ATOM 592 CG2 ILE A 225 -4.180 2.093 0.869 1.00 0.00 C ATOM 593 CD1 ILE A 225 -3.500 -0.035 -1.235 1.00 0.00 C ATOM 0 H ILE A 225 -2.508 4.080 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 225 -1.890 3.292 1.586 1.00 0.00 H new ATOM 0 HB ILE A 225 -2.317 1.020 0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -3.350 2.059 -1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -1.799 1.275 -1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -4.802 1.213 0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -4.104 2.289 1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -4.630 2.953 0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -3.524 -0.384 -2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -2.944 -0.747 -0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -4.519 0.049 -0.857 1.00 0.00 H new ATOM 605 N PRO A 226 0.397 2.226 0.965 1.00 0.00 N ATOM 606 CA PRO A 226 1.768 1.911 0.611 1.00 0.00 C ATOM 607 C PRO A 226 1.765 0.755 -0.393 1.00 0.00 C ATOM 608 O PRO A 226 0.960 -0.168 -0.252 1.00 0.00 O ATOM 609 CB PRO A 226 2.449 1.566 1.932 1.00 0.00 C ATOM 610 CG PRO A 226 1.324 1.039 2.821 1.00 0.00 C ATOM 611 CD PRO A 226 0.070 1.735 2.294 1.00 0.00 C ATOM 0 HA PRO A 226 2.303 2.727 0.126 1.00 0.00 H new ATOM 0 HB2 PRO A 226 3.228 0.816 1.792 1.00 0.00 H new ATOM 0 HB3 PRO A 226 2.925 2.442 2.373 1.00 0.00 H new ATOM 0 HG2 PRO A 226 1.236 -0.045 2.751 1.00 0.00 H new ATOM 0 HG3 PRO A 226 1.501 1.278 3.870 1.00 0.00 H new ATOM 0 HD2 PRO A 226 -0.771 1.042 2.255 1.00 0.00 H new ATOM 0 HD3 PRO A 226 -0.223 2.555 2.949 1.00 0.00 H new ATOM 619 N ASP A 227 2.660 0.820 -1.381 1.00 0.00 N ATOM 620 CA ASP A 227 2.767 -0.067 -2.527 1.00 0.00 C ATOM 621 C ASP A 227 2.780 -1.531 -2.080 1.00 0.00 C ATOM 622 O ASP A 227 3.741 -1.956 -1.427 1.00 0.00 O ATOM 623 CB ASP A 227 4.024 0.312 -3.313 1.00 0.00 C ATOM 624 CG ASP A 227 4.297 -0.562 -4.536 1.00 0.00 C ATOM 625 OD1 ASP A 227 3.585 -1.561 -4.769 1.00 0.00 O ATOM 626 OD2 ASP A 227 5.243 -0.242 -5.287 1.00 0.00 O ATOM 0 H ASP A 227 3.376 1.546 -1.396 1.00 0.00 H new ATOM 0 HA ASP A 227 1.900 0.046 -3.177 1.00 0.00 H new ATOM 0 HB2 ASP A 227 3.935 1.349 -3.636 1.00 0.00 H new ATOM 0 HB3 ASP A 227 4.884 0.259 -2.645 1.00 0.00 H new ATOM 631 N PRO A 228 1.712 -2.295 -2.366 1.00 0.00 N ATOM 632 CA PRO A 228 1.611 -3.701 -2.010 1.00 0.00 C ATOM 633 C PRO A 228 2.231 -4.652 -3.043 1.00 0.00 C ATOM 634 O PRO A 228 2.241 -5.868 -2.801 1.00 0.00 O ATOM 635 CB PRO A 228 0.113 -3.951 -1.893 1.00 0.00 C ATOM 636 CG PRO A 228 -0.496 -2.999 -2.915 1.00 0.00 C ATOM 637 CD PRO A 228 0.465 -1.823 -2.956 1.00 0.00 C ATOM 0 HA PRO A 228 2.167 -3.901 -1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 228 -0.138 -4.989 -2.114 1.00 0.00 H new ATOM 0 HB3 PRO A 228 -0.250 -3.743 -0.886 1.00 0.00 H new ATOM 0 HG2 PRO A 228 -0.588 -3.472 -3.893 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -1.496 -2.684 -2.618 1.00 0.00 H new ATOM 0 HD2 PRO A 228 0.623 -1.485 -3.980 1.00 0.00 H new ATOM 0 HD3 PRO A 228 0.067 -0.975 -2.398 1.00 0.00 H new ATOM 645 N ASP A 229 2.698 -4.152 -4.189 1.00 0.00 N ATOM 646 CA ASP A 229 3.500 -4.947 -5.116 1.00 0.00 C ATOM 647 C ASP A 229 4.934 -4.962 -4.595 1.00 0.00 C ATOM 648 O ASP A 229 5.528 -6.034 -4.461 1.00 0.00 O ATOM 649 CB ASP A 229 3.453 -4.388 -6.549 1.00 0.00 C ATOM 650 CG ASP A 229 4.319 -5.190 -7.531 1.00 0.00 C ATOM 651 OD1 ASP A 229 5.568 -5.106 -7.487 1.00 0.00 O ATOM 652 OD2 ASP A 229 3.770 -5.844 -8.443 1.00 0.00 O ATOM 0 H ASP A 229 2.532 -3.194 -4.497 1.00 0.00 H new ATOM 0 HA ASP A 229 3.094 -5.957 -5.166 1.00 0.00 H new ATOM 0 HB2 ASP A 229 2.421 -4.387 -6.900 1.00 0.00 H new ATOM 0 HB3 ASP A 229 3.788 -3.351 -6.540 1.00 0.00 H new ATOM 657 N ALA A 230 5.484 -3.784 -4.264 1.00 0.00 N ATOM 658 CA ALA A 230 6.832 -3.689 -3.734 1.00 0.00 C ATOM 659 C ALA A 230 6.861 -4.239 -2.314 1.00 0.00 C ATOM 660 O ALA A 230 5.853 -4.221 -1.604 1.00 0.00 O ATOM 661 CB ALA A 230 7.301 -2.237 -3.746 1.00 0.00 C ATOM 0 H ALA A 230 5.006 -2.888 -4.358 1.00 0.00 H new ATOM 0 HA ALA A 230 7.505 -4.276 -4.359 1.00 0.00 H new ATOM 0 HB1 ALA A 230 8.313 -2.178 -3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 230 7.292 -1.860 -4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 230 6.633 -1.634 -3.132 1.00 0.00 H new ATOM 667 N LYS A 231 8.027 -4.691 -1.855 1.00 0.00 N ATOM 668 CA LYS A 231 8.149 -5.343 -0.548 1.00 0.00 C ATOM 669 C LYS A 231 9.575 -5.316 0.013 1.00 0.00 C ATOM 670 O LYS A 231 9.950 -6.219 0.756 1.00 0.00 O ATOM 671 CB LYS A 231 7.559 -6.775 -0.660 1.00 0.00 C ATOM 672 CG LYS A 231 6.280 -7.051 0.145 1.00 0.00 C ATOM 673 CD LYS A 231 6.560 -7.342 1.621 1.00 0.00 C ATOM 674 CE LYS A 231 7.043 -6.122 2.406 1.00 0.00 C ATOM 675 NZ LYS A 231 6.005 -5.086 2.605 1.00 0.00 N ATOM 0 H LYS A 231 8.905 -4.618 -2.370 1.00 0.00 H new ATOM 0 HA LYS A 231 7.575 -4.778 0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 231 7.352 -6.978 -1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 231 8.323 -7.485 -0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 231 5.615 -6.191 0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 231 5.755 -7.899 -0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 231 5.652 -7.726 2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 231 7.311 -8.129 1.691 1.00 0.00 H new ATOM 0 HE2 LYS A 231 7.406 -6.450 3.380 1.00 0.00 H new ATOM 0 HE3 LYS A 231 7.890 -5.678 1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 6.406 -4.292 3.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 5.674 -4.745 1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 5.205 -5.492 3.131 1.00 0.00 H new ATOM 689 N LYS A 232 10.314 -4.240 -0.252 1.00 0.00 N ATOM 690 CA LYS A 232 11.740 -4.050 -0.071 1.00 0.00 C ATOM 691 C LYS A 232 12.511 -5.028 -0.964 1.00 0.00 C ATOM 692 O LYS A 232 12.359 -6.246 -0.834 1.00 0.00 O ATOM 693 CB LYS A 232 12.163 -4.087 1.401 1.00 0.00 C ATOM 694 CG LYS A 232 13.637 -3.650 1.514 1.00 0.00 C ATOM 695 CD LYS A 232 14.158 -3.338 2.925 1.00 0.00 C ATOM 696 CE LYS A 232 14.832 -4.545 3.581 1.00 0.00 C ATOM 697 NZ LYS A 232 15.943 -4.164 4.479 1.00 0.00 N ATOM 0 H LYS A 232 9.880 -3.401 -0.636 1.00 0.00 H new ATOM 0 HA LYS A 232 12.000 -3.042 -0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 232 11.529 -3.426 1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 232 12.037 -5.092 1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 232 14.259 -4.437 1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 232 13.777 -2.763 0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 232 14.869 -2.513 2.872 1.00 0.00 H new ATOM 0 HD3 LYS A 232 13.329 -3.005 3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 232 14.089 -5.106 4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 232 15.210 -5.210 2.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 16.183 -4.967 5.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 16.774 -3.902 3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 15.654 -3.354 5.064 1.00 0.00 H new ATOM 711 N PRO A 233 13.328 -4.522 -1.898 1.00 0.00 N ATOM 712 CA PRO A 233 14.085 -5.381 -2.783 1.00 0.00 C ATOM 713 C PRO A 233 15.008 -6.286 -1.963 1.00 0.00 C ATOM 714 O PRO A 233 15.512 -5.914 -0.899 1.00 0.00 O ATOM 715 CB PRO A 233 14.829 -4.456 -3.752 1.00 0.00 C ATOM 716 CG PRO A 233 14.639 -3.035 -3.228 1.00 0.00 C ATOM 717 CD PRO A 233 13.560 -3.115 -2.167 1.00 0.00 C ATOM 0 HA PRO A 233 13.453 -6.058 -3.358 1.00 0.00 H new ATOM 0 HB2 PRO A 233 15.887 -4.714 -3.799 1.00 0.00 H new ATOM 0 HB3 PRO A 233 14.432 -4.553 -4.763 1.00 0.00 H new ATOM 0 HG2 PRO A 233 15.568 -2.647 -2.810 1.00 0.00 H new ATOM 0 HG3 PRO A 233 14.345 -2.360 -4.032 1.00 0.00 H new ATOM 0 HD2 PRO A 233 13.872 -2.596 -1.261 1.00 0.00 H new ATOM 0 HD3 PRO A 233 12.645 -2.633 -2.511 1.00 0.00 H new ATOM 725 N GLU A 234 15.269 -7.487 -2.469 1.00 0.00 N ATOM 726 CA GLU A 234 16.339 -8.353 -2.007 1.00 0.00 C ATOM 727 C GLU A 234 17.684 -7.627 -2.145 1.00 0.00 C ATOM 728 O GLU A 234 18.592 -7.836 -1.342 1.00 0.00 O ATOM 729 CB GLU A 234 16.305 -9.684 -2.782 1.00 0.00 C ATOM 730 CG GLU A 234 16.017 -9.633 -4.295 1.00 0.00 C ATOM 731 CD GLU A 234 14.516 -9.686 -4.613 1.00 0.00 C ATOM 732 OE1 GLU A 234 13.833 -8.635 -4.547 1.00 0.00 O ATOM 733 OE2 GLU A 234 13.991 -10.782 -4.909 1.00 0.00 O ATOM 0 H GLU A 234 14.726 -7.892 -3.231 1.00 0.00 H new ATOM 0 HA GLU A 234 16.203 -8.591 -0.952 1.00 0.00 H new ATOM 0 HB2 GLU A 234 17.267 -10.177 -2.642 1.00 0.00 H new ATOM 0 HB3 GLU A 234 15.550 -10.320 -2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 234 16.441 -8.719 -4.711 1.00 0.00 H new ATOM 0 HG3 GLU A 234 16.518 -10.468 -4.785 1.00 0.00 H new ATOM 740 N ASP A 235 17.759 -6.720 -3.120 1.00 0.00 N ATOM 741 CA ASP A 235 18.866 -5.851 -3.480 1.00 0.00 C ATOM 742 C ASP A 235 18.958 -4.616 -2.568 1.00 0.00 C ATOM 743 O ASP A 235 19.802 -3.747 -2.808 1.00 0.00 O ATOM 744 CB ASP A 235 18.708 -5.350 -4.937 1.00 0.00 C ATOM 745 CG ASP A 235 17.859 -6.203 -5.886 1.00 0.00 C ATOM 746 OD1 ASP A 235 16.621 -6.271 -5.687 1.00 0.00 O ATOM 747 OD2 ASP A 235 18.391 -6.690 -6.908 1.00 0.00 O ATOM 0 H ASP A 235 16.961 -6.565 -3.736 1.00 0.00 H new ATOM 0 HA ASP A 235 19.772 -6.446 -3.367 1.00 0.00 H new ATOM 0 HB2 ASP A 235 18.276 -4.350 -4.905 1.00 0.00 H new ATOM 0 HB3 ASP A 235 19.704 -5.253 -5.370 1.00 0.00 H new ATOM 752 N TRP A 236 18.054 -4.438 -1.593 1.00 0.00 N ATOM 753 CA TRP A 236 18.097 -3.244 -0.756 1.00 0.00 C ATOM 754 C TRP A 236 19.236 -3.353 0.246 1.00 0.00 C ATOM 755 O TRP A 236 19.451 -4.415 0.837 1.00 0.00 O ATOM 756 CB TRP A 236 16.794 -2.990 0.005 1.00 0.00 C ATOM 757 CG TRP A 236 16.749 -1.631 0.643 1.00 0.00 C ATOM 758 CD1 TRP A 236 17.073 -1.320 1.922 1.00 0.00 C ATOM 759 CD2 TRP A 236 16.523 -0.355 -0.023 1.00 0.00 C ATOM 760 NE1 TRP A 236 17.012 0.052 2.090 1.00 0.00 N ATOM 761 CE2 TRP A 236 16.680 0.697 0.921 1.00 0.00 C ATOM 762 CE3 TRP A 236 16.276 0.018 -1.357 1.00 0.00 C ATOM 763 CZ2 TRP A 236 16.550 2.048 0.571 1.00 0.00 C ATOM 764 CZ3 TRP A 236 16.155 1.369 -1.727 1.00 0.00 C ATOM 765 CH2 TRP A 236 16.281 2.385 -0.765 1.00 0.00 C ATOM 0 H TRP A 236 17.303 -5.092 -1.373 1.00 0.00 H new ATOM 0 HA TRP A 236 18.250 -2.403 -1.432 1.00 0.00 H new ATOM 0 HB2 TRP A 236 15.952 -3.093 -0.680 1.00 0.00 H new ATOM 0 HB3 TRP A 236 16.674 -3.752 0.775 1.00 0.00 H new ATOM 0 HD1 TRP A 236 17.337 -2.032 2.690 1.00 0.00 H new ATOM 0 HE1 TRP A 236 17.192 0.528 2.974 1.00 0.00 H new ATOM 0 HE3 TRP A 236 16.177 -0.748 -2.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 16.655 2.820 1.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 15.964 1.628 -2.758 1.00 0.00 H new ATOM 0 HH2 TRP A 236 16.171 3.420 -1.052 1.00 0.00 H new ATOM 776 N ASP A 237 19.872 -2.224 0.530 1.00 0.00 N ATOM 777 CA ASP A 237 20.923 -2.082 1.516 1.00 0.00 C ATOM 778 C ASP A 237 20.690 -0.809 2.308 1.00 0.00 C ATOM 779 O ASP A 237 20.698 0.305 1.768 1.00 0.00 O ATOM 780 CB ASP A 237 22.291 -2.080 0.839 1.00 0.00 C ATOM 781 CG ASP A 237 23.436 -2.071 1.862 1.00 0.00 C ATOM 782 OD1 ASP A 237 23.143 -2.193 3.077 1.00 0.00 O ATOM 783 OD2 ASP A 237 24.596 -1.917 1.435 1.00 0.00 O ATOM 0 H ASP A 237 19.656 -1.347 0.056 1.00 0.00 H new ATOM 0 HA ASP A 237 20.904 -2.928 2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 237 22.381 -2.959 0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 237 22.375 -1.206 0.193 1.00 0.00 H new ATOM 788 N GLU A 238 20.436 -0.993 3.600 1.00 0.00 N ATOM 789 CA GLU A 238 20.199 0.088 4.534 1.00 0.00 C ATOM 790 C GLU A 238 21.493 0.803 4.916 1.00 0.00 C ATOM 791 O GLU A 238 21.453 1.889 5.491 1.00 0.00 O ATOM 792 CB GLU A 238 19.463 -0.449 5.765 1.00 0.00 C ATOM 793 CG GLU A 238 18.064 -0.961 5.394 1.00 0.00 C ATOM 794 CD GLU A 238 17.197 -1.358 6.588 1.00 0.00 C ATOM 795 OE1 GLU A 238 17.341 -0.776 7.687 1.00 0.00 O ATOM 796 OE2 GLU A 238 16.351 -2.262 6.392 1.00 0.00 O ATOM 0 H GLU A 238 20.390 -1.917 4.029 1.00 0.00 H new ATOM 0 HA GLU A 238 19.570 0.834 4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 238 20.041 -1.256 6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 238 19.378 0.338 6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 238 17.547 -0.187 4.827 1.00 0.00 H new ATOM 0 HG3 GLU A 238 18.169 -1.823 4.735 1.00 0.00 H new ATOM 803 N GLU A 239 22.639 0.242 4.549 1.00 0.00 N ATOM 804 CA GLU A 239 23.956 0.837 4.755 1.00 0.00 C ATOM 805 C GLU A 239 24.438 1.533 3.475 1.00 0.00 C ATOM 806 O GLU A 239 25.414 2.283 3.511 1.00 0.00 O ATOM 807 CB GLU A 239 24.921 -0.228 5.304 1.00 0.00 C ATOM 808 CG GLU A 239 24.396 -0.732 6.661 1.00 0.00 C ATOM 809 CD GLU A 239 25.291 -1.779 7.311 1.00 0.00 C ATOM 810 OE1 GLU A 239 26.300 -1.389 7.954 1.00 0.00 O ATOM 811 OE2 GLU A 239 24.908 -2.970 7.326 1.00 0.00 O ATOM 0 H GLU A 239 22.680 -0.666 4.086 1.00 0.00 H new ATOM 0 HA GLU A 239 23.908 1.624 5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 239 25.005 -1.057 4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 239 25.920 0.193 5.420 1.00 0.00 H new ATOM 0 HG2 GLU A 239 24.292 0.116 7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 239 23.400 -1.153 6.522 1.00 0.00 H new ATOM 818 N MET A 240 23.703 1.365 2.369 1.00 0.00 N ATOM 819 CA MET A 240 23.897 2.084 1.122 1.00 0.00 C ATOM 820 C MET A 240 23.048 3.345 1.133 1.00 0.00 C ATOM 821 O MET A 240 23.575 4.438 0.900 1.00 0.00 O ATOM 822 CB MET A 240 23.550 1.154 -0.047 1.00 0.00 C ATOM 823 CG MET A 240 23.871 1.730 -1.431 1.00 0.00 C ATOM 824 SD MET A 240 22.610 2.835 -2.131 1.00 0.00 S ATOM 825 CE MET A 240 23.402 3.286 -3.696 1.00 0.00 C ATOM 0 H MET A 240 22.932 0.699 2.325 1.00 0.00 H new ATOM 0 HA MET A 240 24.936 2.392 1.005 1.00 0.00 H new ATOM 0 HB2 MET A 240 24.092 0.216 0.077 1.00 0.00 H new ATOM 0 HB3 MET A 240 22.487 0.916 -0.003 1.00 0.00 H new ATOM 0 HG2 MET A 240 24.813 2.275 -1.369 1.00 0.00 H new ATOM 0 HG3 MET A 240 24.027 0.902 -2.122 1.00 0.00 H new ATOM 0 HE1 MET A 240 22.753 3.965 -4.250 1.00 0.00 H new ATOM 0 HE2 MET A 240 24.354 3.777 -3.494 1.00 0.00 H new ATOM 0 HE3 MET A 240 23.576 2.387 -4.288 1.00 0.00 H new ATOM 835 N ASP A 241 21.747 3.219 1.419 1.00 0.00 N ATOM 836 CA ASP A 241 20.795 4.316 1.207 1.00 0.00 C ATOM 837 C ASP A 241 19.998 4.676 2.459 1.00 0.00 C ATOM 838 O ASP A 241 19.453 5.780 2.535 1.00 0.00 O ATOM 839 CB ASP A 241 19.848 3.981 0.038 1.00 0.00 C ATOM 840 CG ASP A 241 19.630 5.141 -0.943 1.00 0.00 C ATOM 841 OD1 ASP A 241 20.312 6.190 -0.883 1.00 0.00 O ATOM 842 OD2 ASP A 241 18.778 4.997 -1.853 1.00 0.00 O ATOM 0 H ASP A 241 21.329 2.369 1.798 1.00 0.00 H new ATOM 0 HA ASP A 241 21.385 5.198 0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 241 20.250 3.128 -0.508 1.00 0.00 H new ATOM 0 HB3 ASP A 241 18.883 3.675 0.442 1.00 0.00 H new ATOM 847 N GLY A 242 19.961 3.793 3.460 1.00 0.00 N ATOM 848 CA GLY A 242 19.092 3.931 4.631 1.00 0.00 C ATOM 849 C GLY A 242 17.890 2.994 4.531 1.00 0.00 C ATOM 850 O GLY A 242 17.800 2.204 3.598 1.00 0.00 O ATOM 0 H GLY A 242 20.540 2.953 3.480 1.00 0.00 H new ATOM 0 HA2 GLY A 242 19.657 3.709 5.536 1.00 0.00 H new ATOM 0 HA3 GLY A 242 18.748 4.962 4.714 1.00 0.00 H new ATOM 854 N GLU A 243 16.982 3.033 5.506 1.00 0.00 N ATOM 855 CA GLU A 243 15.781 2.204 5.547 1.00 0.00 C ATOM 856 C GLU A 243 14.940 2.405 4.279 1.00 0.00 C ATOM 857 O GLU A 243 14.786 3.527 3.796 1.00 0.00 O ATOM 858 CB GLU A 243 14.981 2.571 6.801 1.00 0.00 C ATOM 859 CG GLU A 243 13.719 1.712 6.959 1.00 0.00 C ATOM 860 CD GLU A 243 12.826 2.090 8.143 1.00 0.00 C ATOM 861 OE1 GLU A 243 12.244 3.205 8.137 1.00 0.00 O ATOM 862 OE2 GLU A 243 12.611 1.211 9.011 1.00 0.00 O ATOM 0 H GLU A 243 17.065 3.658 6.308 1.00 0.00 H new ATOM 0 HA GLU A 243 16.059 1.151 5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 243 15.613 2.450 7.681 1.00 0.00 H new ATOM 0 HB3 GLU A 243 14.698 3.623 6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 243 13.132 1.782 6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 243 14.018 0.669 7.067 1.00 0.00 H new ATOM 869 N TRP A 244 14.358 1.319 3.769 1.00 0.00 N ATOM 870 CA TRP A 244 13.410 1.365 2.665 1.00 0.00 C ATOM 871 C TRP A 244 12.051 1.867 3.160 1.00 0.00 C ATOM 872 O TRP A 244 11.550 1.421 4.197 1.00 0.00 O ATOM 873 CB TRP A 244 13.260 -0.039 2.073 1.00 0.00 C ATOM 874 CG TRP A 244 12.379 -0.145 0.868 1.00 0.00 C ATOM 875 CD1 TRP A 244 12.715 0.237 -0.385 1.00 0.00 C ATOM 876 CD2 TRP A 244 11.015 -0.655 0.776 1.00 0.00 C ATOM 877 NE1 TRP A 244 11.662 -0.006 -1.243 1.00 0.00 N ATOM 878 CE2 TRP A 244 10.585 -0.547 -0.578 1.00 0.00 C ATOM 879 CE3 TRP A 244 10.092 -1.195 1.698 1.00 0.00 C ATOM 880 CZ2 TRP A 244 9.307 -0.947 -0.989 1.00 0.00 C ATOM 881 CZ3 TRP A 244 8.826 -1.652 1.283 1.00 0.00 C ATOM 882 CH2 TRP A 244 8.434 -1.536 -0.062 1.00 0.00 C ATOM 0 H TRP A 244 14.536 0.377 4.116 1.00 0.00 H new ATOM 0 HA TRP A 244 13.778 2.048 1.900 1.00 0.00 H new ATOM 0 HB2 TRP A 244 14.251 -0.410 1.810 1.00 0.00 H new ATOM 0 HB3 TRP A 244 12.868 -0.699 2.846 1.00 0.00 H new ATOM 0 HD1 TRP A 244 13.664 0.667 -0.671 1.00 0.00 H new ATOM 0 HE1 TRP A 244 11.679 0.190 -2.244 1.00 0.00 H new ATOM 0 HE3 TRP A 244 10.362 -1.259 2.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 8.996 -0.803 -2.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 8.153 -2.094 2.002 1.00 0.00 H new ATOM 0 HH2 TRP A 244 7.467 -1.898 -0.380 1.00 0.00 H new ATOM 893 N GLU A 245 11.402 2.721 2.379 1.00 0.00 N ATOM 894 CA GLU A 245 9.960 2.903 2.392 1.00 0.00 C ATOM 895 C GLU A 245 9.436 2.533 1.004 1.00 0.00 C ATOM 896 O GLU A 245 10.071 2.879 0.004 1.00 0.00 O ATOM 897 CB GLU A 245 9.558 4.365 2.611 1.00 0.00 C ATOM 898 CG GLU A 245 9.448 4.897 4.037 1.00 0.00 C ATOM 899 CD GLU A 245 8.546 6.148 4.085 1.00 0.00 C ATOM 900 OE1 GLU A 245 8.412 6.878 3.068 1.00 0.00 O ATOM 901 OE2 GLU A 245 7.886 6.367 5.124 1.00 0.00 O ATOM 0 H GLU A 245 11.877 3.320 1.703 1.00 0.00 H new ATOM 0 HA GLU A 245 9.557 2.291 3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 245 10.280 4.987 2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 245 8.593 4.517 2.128 1.00 0.00 H new ATOM 0 HG2 GLU A 245 9.041 4.124 4.688 1.00 0.00 H new ATOM 0 HG3 GLU A 245 10.440 5.143 4.416 1.00 0.00 H new ATOM 908 N PRO A 246 8.230 1.956 0.914 1.00 0.00 N ATOM 909 CA PRO A 246 7.473 1.948 -0.324 1.00 0.00 C ATOM 910 C PRO A 246 7.011 3.370 -0.700 1.00 0.00 C ATOM 911 O PRO A 246 6.887 4.247 0.170 1.00 0.00 O ATOM 912 CB PRO A 246 6.266 1.036 -0.072 1.00 0.00 C ATOM 913 CG PRO A 246 6.253 0.744 1.432 1.00 0.00 C ATOM 914 CD PRO A 246 7.436 1.482 2.030 1.00 0.00 C ATOM 0 HA PRO A 246 8.080 1.590 -1.155 1.00 0.00 H new ATOM 0 HB2 PRO A 246 5.341 1.522 -0.382 1.00 0.00 H new ATOM 0 HB3 PRO A 246 6.349 0.113 -0.646 1.00 0.00 H new ATOM 0 HG2 PRO A 246 5.319 1.080 1.883 1.00 0.00 H new ATOM 0 HG3 PRO A 246 6.330 -0.327 1.619 1.00 0.00 H new ATOM 0 HD2 PRO A 246 7.102 2.314 2.650 1.00 0.00 H new ATOM 0 HD3 PRO A 246 8.021 0.823 2.671 1.00 0.00 H new ATOM 922 N PRO A 247 6.663 3.609 -1.974 1.00 0.00 N ATOM 923 CA PRO A 247 5.839 4.749 -2.343 1.00 0.00 C ATOM 924 C PRO A 247 4.425 4.535 -1.792 1.00 0.00 C ATOM 925 O PRO A 247 3.953 3.396 -1.717 1.00 0.00 O ATOM 926 CB PRO A 247 5.852 4.796 -3.871 1.00 0.00 C ATOM 927 CG PRO A 247 6.203 3.371 -4.306 1.00 0.00 C ATOM 928 CD PRO A 247 6.871 2.715 -3.101 1.00 0.00 C ATOM 0 HA PRO A 247 6.206 5.691 -1.935 1.00 0.00 H new ATOM 0 HB2 PRO A 247 4.883 5.102 -4.265 1.00 0.00 H new ATOM 0 HB3 PRO A 247 6.586 5.513 -4.238 1.00 0.00 H new ATOM 0 HG2 PRO A 247 5.309 2.823 -4.603 1.00 0.00 H new ATOM 0 HG3 PRO A 247 6.872 3.379 -5.166 1.00 0.00 H new ATOM 0 HD2 PRO A 247 6.437 1.735 -2.903 1.00 0.00 H new ATOM 0 HD3 PRO A 247 7.935 2.562 -3.283 1.00 0.00 H new ATOM 936 N VAL A 248 3.722 5.612 -1.441 1.00 0.00 N ATOM 937 CA VAL A 248 2.276 5.566 -1.308 1.00 0.00 C ATOM 938 C VAL A 248 1.721 5.703 -2.722 1.00 0.00 C ATOM 939 O VAL A 248 2.107 6.613 -3.461 1.00 0.00 O ATOM 940 CB VAL A 248 1.714 6.646 -0.349 1.00 0.00 C ATOM 941 CG1 VAL A 248 0.718 5.987 0.611 1.00 0.00 C ATOM 942 CG2 VAL A 248 2.745 7.367 0.524 1.00 0.00 C ATOM 0 H VAL A 248 4.135 6.524 -1.245 1.00 0.00 H new ATOM 0 HA VAL A 248 1.967 4.627 -0.849 1.00 0.00 H new ATOM 0 HB VAL A 248 1.274 7.394 -1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 248 0.316 6.738 1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 248 -0.097 5.541 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 248 1.225 5.212 1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 248 2.240 8.099 1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 248 3.260 6.641 1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 248 3.470 7.874 -0.113 1.00 0.00 H new ATOM 952 N ILE A 249 0.797 4.835 -3.106 1.00 0.00 N ATOM 953 CA ILE A 249 0.096 4.864 -4.381 1.00 0.00 C ATOM 954 C ILE A 249 -1.399 4.950 -4.081 1.00 0.00 C ATOM 955 O ILE A 249 -1.815 4.787 -2.931 1.00 0.00 O ATOM 956 CB ILE A 249 0.498 3.649 -5.254 1.00 0.00 C ATOM 957 CG1 ILE A 249 -0.211 2.340 -4.848 1.00 0.00 C ATOM 958 CG2 ILE A 249 2.028 3.454 -5.287 1.00 0.00 C ATOM 959 CD1 ILE A 249 -0.280 1.321 -6.000 1.00 0.00 C ATOM 0 H ILE A 249 0.503 4.059 -2.513 1.00 0.00 H new ATOM 0 HA ILE A 249 0.373 5.736 -4.974 1.00 0.00 H new ATOM 0 HB ILE A 249 0.157 3.887 -6.261 1.00 0.00 H new ATOM 0 HG12 ILE A 249 0.315 1.893 -4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -1.222 2.569 -4.509 1.00 0.00 H new ATOM 0 HG21 ILE A 249 2.272 2.593 -5.909 1.00 0.00 H new ATOM 0 HG22 ILE A 249 2.500 4.345 -5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 249 2.395 3.286 -4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -0.789 0.420 -5.658 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -0.830 1.753 -6.836 1.00 0.00 H new ATOM 0 HD13 ILE A 249 0.730 1.068 -6.323 1.00 0.00 H new ATOM 971 N GLN A 250 -2.224 5.179 -5.096 1.00 0.00 N ATOM 972 CA GLN A 250 -3.658 5.132 -4.908 1.00 0.00 C ATOM 973 C GLN A 250 -4.111 3.691 -4.687 1.00 0.00 C ATOM 974 O GLN A 250 -3.645 2.756 -5.336 1.00 0.00 O ATOM 975 CB GLN A 250 -4.318 5.758 -6.142 1.00 0.00 C ATOM 976 CG GLN A 250 -5.811 6.068 -5.994 1.00 0.00 C ATOM 977 CD GLN A 250 -6.062 7.381 -5.262 1.00 0.00 C ATOM 978 OE1 GLN A 250 -5.802 8.459 -5.794 1.00 0.00 O ATOM 979 NE2 GLN A 250 -6.561 7.336 -4.039 1.00 0.00 N ATOM 0 H GLN A 250 -1.923 5.396 -6.046 1.00 0.00 H new ATOM 0 HA GLN A 250 -3.953 5.696 -4.023 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -3.793 6.682 -6.386 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -4.185 5.083 -6.988 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -6.270 6.112 -6.982 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -6.296 5.255 -5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -6.773 6.436 -3.607 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -6.734 8.201 -3.527 1.00 0.00 H new ATOM 988 N ASN A 251 -5.038 3.528 -3.750 1.00 0.00 N ATOM 989 CA ASN A 251 -5.737 2.298 -3.447 1.00 0.00 C ATOM 990 C ASN A 251 -6.592 1.920 -4.656 1.00 0.00 C ATOM 991 O ASN A 251 -7.507 2.691 -4.965 1.00 0.00 O ATOM 992 CB ASN A 251 -6.625 2.574 -2.226 1.00 0.00 C ATOM 993 CG ASN A 251 -7.158 1.315 -1.598 1.00 0.00 C ATOM 994 OD1 ASN A 251 -7.380 0.328 -2.278 1.00 0.00 O ATOM 995 ND2 ASN A 251 -7.381 1.332 -0.297 1.00 0.00 N ATOM 0 H ASN A 251 -5.334 4.299 -3.151 1.00 0.00 H new ATOM 0 HA ASN A 251 -5.051 1.478 -3.232 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -6.052 3.131 -1.484 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -7.460 3.207 -2.525 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -7.750 0.503 0.168 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -7.184 2.175 0.243 1.00 0.00 H new ATOM 1002 N PRO A 252 -6.343 0.804 -5.365 1.00 0.00 N ATOM 1003 CA PRO A 252 -7.155 0.437 -6.509 1.00 0.00 C ATOM 1004 C PRO A 252 -8.548 -0.012 -6.055 1.00 0.00 C ATOM 1005 O PRO A 252 -9.490 0.050 -6.844 1.00 0.00 O ATOM 1006 CB PRO A 252 -6.427 -0.718 -7.201 1.00 0.00 C ATOM 1007 CG PRO A 252 -5.693 -1.388 -6.047 1.00 0.00 C ATOM 1008 CD PRO A 252 -5.292 -0.181 -5.198 1.00 0.00 C ATOM 0 HA PRO A 252 -7.290 1.283 -7.183 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -7.122 -1.400 -7.690 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -5.738 -0.362 -7.967 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -6.334 -2.080 -5.500 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -4.827 -1.956 -6.387 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -5.185 -0.461 -4.150 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -4.330 0.218 -5.520 1.00 0.00 H new ATOM 1016 N GLU A 253 -8.678 -0.482 -4.806 1.00 0.00 N ATOM 1017 CA GLU A 253 -9.836 -1.232 -4.354 1.00 0.00 C ATOM 1018 C GLU A 253 -10.742 -0.428 -3.424 1.00 0.00 C ATOM 1019 O GLU A 253 -11.921 -0.775 -3.412 1.00 0.00 O ATOM 1020 CB GLU A 253 -9.450 -2.592 -3.732 1.00 0.00 C ATOM 1021 CG GLU A 253 -8.462 -2.439 -2.583 1.00 0.00 C ATOM 1022 CD GLU A 253 -8.204 -3.711 -1.775 1.00 0.00 C ATOM 1023 OE1 GLU A 253 -9.083 -4.124 -0.987 1.00 0.00 O ATOM 1024 OE2 GLU A 253 -7.073 -4.250 -1.825 1.00 0.00 O ATOM 0 H GLU A 253 -7.971 -0.346 -4.083 1.00 0.00 H new ATOM 0 HA GLU A 253 -10.418 -1.440 -5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -10.349 -3.093 -3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -9.015 -3.231 -4.501 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -7.513 -2.084 -2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -8.831 -1.667 -1.908 1.00 0.00 H new ATOM 1031 N TYR A 254 -10.220 0.523 -2.613 1.00 0.00 N ATOM 1032 CA TYR A 254 -10.941 1.577 -1.873 1.00 0.00 C ATOM 1033 C TYR A 254 -12.419 1.226 -1.648 1.00 0.00 C ATOM 1034 O TYR A 254 -13.251 1.503 -2.528 1.00 0.00 O ATOM 1035 CB TYR A 254 -10.730 3.001 -2.434 1.00 0.00 C ATOM 1036 CG TYR A 254 -11.240 4.085 -1.489 1.00 0.00 C ATOM 1037 CD1 TYR A 254 -12.602 4.451 -1.460 1.00 0.00 C ATOM 1038 CD2 TYR A 254 -10.343 4.733 -0.620 1.00 0.00 C ATOM 1039 CE1 TYR A 254 -13.077 5.434 -0.569 1.00 0.00 C ATOM 1040 CE2 TYR A 254 -10.799 5.736 0.256 1.00 0.00 C ATOM 1041 CZ TYR A 254 -12.171 6.073 0.307 1.00 0.00 C ATOM 1042 OH TYR A 254 -12.649 6.963 1.215 1.00 0.00 O ATOM 0 H TYR A 254 -9.214 0.574 -2.450 1.00 0.00 H new ATOM 0 HA TYR A 254 -10.478 1.606 -0.887 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -9.668 3.159 -2.623 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -11.242 3.090 -3.392 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -13.294 3.968 -2.134 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -9.298 4.459 -0.625 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -14.124 5.697 -0.556 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -10.096 6.252 0.893 1.00 0.00 H new ATOM 0 HH TYR A 254 -11.907 7.318 1.747 1.00 0.00 H new ATOM 1052 N LYS A 255 -12.737 0.595 -0.502 1.00 0.00 N ATOM 1053 CA LYS A 255 -14.072 0.045 -0.253 1.00 0.00 C ATOM 1054 C LYS A 255 -15.122 1.096 -0.552 1.00 0.00 C ATOM 1055 O LYS A 255 -16.085 0.797 -1.257 1.00 0.00 O ATOM 1056 CB LYS A 255 -14.260 -0.500 1.164 1.00 0.00 C ATOM 1057 CG LYS A 255 -13.499 -1.802 1.447 1.00 0.00 C ATOM 1058 CD LYS A 255 -13.909 -2.280 2.840 1.00 0.00 C ATOM 1059 CE LYS A 255 -13.271 -3.596 3.292 1.00 0.00 C ATOM 1060 NZ LYS A 255 -13.833 -4.783 2.611 1.00 0.00 N ATOM 0 H LYS A 255 -12.080 0.456 0.266 1.00 0.00 H new ATOM 0 HA LYS A 255 -14.186 -0.808 -0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -13.937 0.258 1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -15.323 -0.669 1.337 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -13.738 -2.556 0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -12.423 -1.635 1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -13.654 -1.504 3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -14.993 -2.393 2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -12.198 -3.554 3.107 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -13.405 -3.706 4.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -13.360 -5.640 2.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -14.852 -4.846 2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -13.683 -4.698 1.585 1.00 0.00 H new ATOM 1074 N GLY A 256 -14.893 2.324 -0.094 1.00 0.00 N ATOM 1075 CA GLY A 256 -15.791 3.411 -0.363 1.00 0.00 C ATOM 1076 C GLY A 256 -17.099 3.095 0.298 1.00 0.00 C ATOM 1077 O GLY A 256 -17.123 2.911 1.517 1.00 0.00 O ATOM 0 H GLY A 256 -14.082 2.579 0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -15.385 4.347 0.021 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -15.926 3.539 -1.437 1.00 0.00 H new ATOM 1081 N GLU A 257 -18.172 3.084 -0.481 1.00 0.00 N ATOM 1082 CA GLU A 257 -19.478 3.164 0.088 1.00 0.00 C ATOM 1083 C GLU A 257 -19.788 1.905 0.908 1.00 0.00 C ATOM 1084 O GLU A 257 -19.947 0.804 0.372 1.00 0.00 O ATOM 1085 CB GLU A 257 -20.537 3.528 -0.949 1.00 0.00 C ATOM 1086 CG GLU A 257 -20.605 2.648 -2.201 1.00 0.00 C ATOM 1087 CD GLU A 257 -19.834 3.218 -3.395 1.00 0.00 C ATOM 1088 OE1 GLU A 257 -18.695 3.704 -3.222 1.00 0.00 O ATOM 1089 OE2 GLU A 257 -20.380 3.206 -4.526 1.00 0.00 O ATOM 0 H GLU A 257 -18.148 3.021 -1.499 1.00 0.00 H new ATOM 0 HA GLU A 257 -19.503 3.993 0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -21.512 3.504 -0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -20.364 4.557 -1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -20.210 1.660 -1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -21.649 2.514 -2.484 1.00 0.00 H new ATOM 1096 N TRP A 258 -19.835 2.044 2.233 1.00 0.00 N ATOM 1097 CA TRP A 258 -20.317 0.972 3.084 1.00 0.00 C ATOM 1098 C TRP A 258 -21.789 0.723 2.782 1.00 0.00 C ATOM 1099 O TRP A 258 -22.561 1.658 2.539 1.00 0.00 O ATOM 1100 CB TRP A 258 -20.095 1.286 4.562 1.00 0.00 C ATOM 1101 CG TRP A 258 -20.762 0.289 5.457 1.00 0.00 C ATOM 1102 CD1 TRP A 258 -20.226 -0.857 5.936 1.00 0.00 C ATOM 1103 CD2 TRP A 258 -22.177 0.245 5.800 1.00 0.00 C ATOM 1104 NE1 TRP A 258 -21.220 -1.592 6.554 1.00 0.00 N ATOM 1105 CE2 TRP A 258 -22.455 -1.004 6.418 1.00 0.00 C ATOM 1106 CE3 TRP A 258 -23.272 1.083 5.516 1.00 0.00 C ATOM 1107 CZ2 TRP A 258 -23.756 -1.409 6.738 1.00 0.00 C ATOM 1108 CZ3 TRP A 258 -24.583 0.675 5.794 1.00 0.00 C ATOM 1109 CH2 TRP A 258 -24.823 -0.545 6.446 1.00 0.00 C ATOM 0 H TRP A 258 -19.546 2.885 2.732 1.00 0.00 H new ATOM 0 HA TRP A 258 -19.750 0.066 2.872 1.00 0.00 H new ATOM 0 HB2 TRP A 258 -19.026 1.302 4.772 1.00 0.00 H new ATOM 0 HB3 TRP A 258 -20.478 2.283 4.782 1.00 0.00 H new ATOM 0 HD1 TRP A 258 -19.190 -1.150 5.850 1.00 0.00 H new ATOM 0 HE1 TRP A 258 -21.057 -2.467 7.052 1.00 0.00 H new ATOM 0 HE3 TRP A 258 -23.099 2.055 5.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 258 -23.936 -2.368 7.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 258 -25.413 1.302 5.505 1.00 0.00 H new ATOM 0 HH2 TRP A 258 -25.830 -0.819 6.723 1.00 0.00 H new ATOM 1120 N LYS A 259 -22.176 -0.554 2.794 1.00 0.00 N ATOM 1121 CA LYS A 259 -23.540 -1.013 2.575 1.00 0.00 C ATOM 1122 C LYS A 259 -23.711 -2.311 3.361 1.00 0.00 C ATOM 1123 O LYS A 259 -22.703 -2.991 3.584 1.00 0.00 O ATOM 1124 CB LYS A 259 -23.815 -1.242 1.068 1.00 0.00 C ATOM 1125 CG LYS A 259 -22.871 -0.476 0.127 1.00 0.00 C ATOM 1126 CD LYS A 259 -23.179 -0.616 -1.359 1.00 0.00 C ATOM 1127 CE LYS A 259 -23.950 0.626 -1.793 1.00 0.00 C ATOM 1128 NZ LYS A 259 -24.304 0.574 -3.222 1.00 0.00 N ATOM 0 H LYS A 259 -21.523 -1.319 2.963 1.00 0.00 H new ATOM 0 HA LYS A 259 -24.253 -0.261 2.914 1.00 0.00 H new ATOM 0 HB2 LYS A 259 -23.735 -2.308 0.854 1.00 0.00 H new ATOM 0 HB3 LYS A 259 -24.842 -0.949 0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 259 -22.902 0.581 0.390 1.00 0.00 H new ATOM 0 HG3 LYS A 259 -21.851 -0.819 0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 259 -22.257 -0.714 -1.933 1.00 0.00 H new ATOM 0 HD3 LYS A 259 -23.767 -1.515 -1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 259 -24.857 0.718 -1.196 1.00 0.00 H new ATOM 0 HE3 LYS A 259 -23.349 1.514 -1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 259 -24.827 1.435 -3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 259 -23.437 0.511 -3.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 259 -24.898 -0.260 -3.402 1.00 0.00 H new ATOM 1142 N PRO A 260 -24.940 -2.706 3.726 1.00 0.00 N ATOM 1143 CA PRO A 260 -25.194 -3.944 4.447 1.00 0.00 C ATOM 1144 C PRO A 260 -25.090 -5.147 3.511 1.00 0.00 C ATOM 1145 O PRO A 260 -26.067 -5.534 2.866 1.00 0.00 O ATOM 1146 CB PRO A 260 -26.587 -3.800 5.037 1.00 0.00 C ATOM 1147 CG PRO A 260 -27.298 -2.826 4.100 1.00 0.00 C ATOM 1148 CD PRO A 260 -26.172 -1.950 3.555 1.00 0.00 C ATOM 0 HA PRO A 260 -24.458 -4.117 5.233 1.00 0.00 H new ATOM 0 HB2 PRO A 260 -27.102 -4.760 5.078 1.00 0.00 H new ATOM 0 HB3 PRO A 260 -26.549 -3.415 6.056 1.00 0.00 H new ATOM 0 HG2 PRO A 260 -27.819 -3.351 3.299 1.00 0.00 H new ATOM 0 HG3 PRO A 260 -28.043 -2.234 4.631 1.00 0.00 H new ATOM 0 HD2 PRO A 260 -26.339 -1.713 2.504 1.00 0.00 H new ATOM 0 HD3 PRO A 260 -26.123 -1.003 4.092 1.00 0.00 H new ATOM 1156 N ARG A 261 -23.892 -5.710 3.360 1.00 0.00 N ATOM 1157 CA ARG A 261 -23.630 -6.861 2.517 1.00 0.00 C ATOM 1158 C ARG A 261 -22.325 -7.496 2.975 1.00 0.00 C ATOM 1159 O ARG A 261 -22.004 -7.408 4.180 1.00 0.00 O ATOM 1160 CB ARG A 261 -23.609 -6.347 1.072 1.00 0.00 C ATOM 1161 CG ARG A 261 -23.647 -7.460 0.016 1.00 0.00 C ATOM 1162 CD ARG A 261 -24.958 -7.455 -0.780 1.00 0.00 C ATOM 1163 NE ARG A 261 -24.823 -8.149 -2.069 1.00 0.00 N ATOM 1164 CZ ARG A 261 -25.734 -8.129 -3.047 1.00 0.00 C ATOM 1165 NH1 ARG A 261 -26.916 -7.548 -2.886 1.00 0.00 N ATOM 1166 NH2 ARG A 261 -25.460 -8.673 -4.223 1.00 0.00 N ATOM 0 H ARG A 261 -23.059 -5.364 3.836 1.00 0.00 H new ATOM 0 HA ARG A 261 -24.388 -7.642 2.583 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -24.462 -5.686 0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -22.711 -5.748 0.923 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -22.807 -7.339 -0.668 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -23.523 -8.427 0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -25.741 -7.933 -0.191 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -25.273 -6.426 -0.954 1.00 0.00 H new ATOM 0 HE ARG A 261 -23.971 -8.686 -2.229 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -27.148 -7.102 -1.999 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -27.592 -7.548 -3.650 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -24.552 -9.109 -4.384 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -26.157 -8.656 -4.967 1.00 0.00 H new