USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=8 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+ 166:sc= 1.14 (180deg=0.918) USER MOD Single : A 214 SER OG : rot 32:sc= 0.259 USER MOD Single : A 215 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.21) USER MOD Single : A 221 LYS NZ :NH3+ 162:sc= 1.09 (180deg=0.815) 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+ -165:sc= -0.631 (180deg=-0.68) USER MOD Single : A 240 MET CE :methyl -162:sc= -0.018 (180deg=-0.284) USER MOD Single : A 250 GLN : amide:sc= -1.74! C(o=-1.7!,f=-3.4!) USER MOD Single : A 251 ASN : amide:sc= -1.28 K(o=-1.3,f=-13!) USER MOD Single : A 254 TYR OH : rot 180:sc= 0 USER MOD Single : A 255 LYS NZ :NH3+ 174:sc= 1.07 (180deg=1.05) USER MOD Single : A 259 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 123 N ASP A 195 -40.063 -0.318 3.061 1.00 0.00 N ATOM 124 CA ASP A 195 -38.698 -0.583 3.434 1.00 0.00 C ATOM 125 C ASP A 195 -37.879 0.497 2.777 1.00 0.00 C ATOM 126 O ASP A 195 -37.657 0.499 1.560 1.00 0.00 O ATOM 127 CB ASP A 195 -38.261 -1.975 2.989 1.00 0.00 C ATOM 128 CG ASP A 195 -37.474 -2.694 4.073 1.00 0.00 C ATOM 129 OD1 ASP A 195 -37.952 -2.799 5.221 1.00 0.00 O ATOM 130 OD2 ASP A 195 -36.348 -3.154 3.779 1.00 0.00 O ATOM 0 HA ASP A 195 -38.569 -0.570 4.516 1.00 0.00 H new ATOM 0 HB2 ASP A 195 -39.139 -2.565 2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 195 -37.650 -1.894 2.090 1.00 0.00 H new ATOM 135 N ALA A 196 -37.548 1.478 3.597 1.00 0.00 N ATOM 136 CA ALA A 196 -36.854 2.702 3.250 1.00 0.00 C ATOM 137 C ALA A 196 -37.594 3.584 2.229 1.00 0.00 C ATOM 138 O ALA A 196 -37.047 4.579 1.747 1.00 0.00 O ATOM 139 CB ALA A 196 -35.393 2.430 2.879 1.00 0.00 C ATOM 0 H ALA A 196 -37.773 1.436 4.591 1.00 0.00 H new ATOM 0 HA ALA A 196 -36.846 3.311 4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 196 -34.901 3.369 2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 196 -34.882 1.971 3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 196 -35.354 1.756 2.023 1.00 0.00 H new ATOM 145 N ALA A 197 -38.850 3.260 1.925 1.00 0.00 N ATOM 146 CA ALA A 197 -39.754 4.068 1.128 1.00 0.00 C ATOM 147 C ALA A 197 -41.143 3.941 1.741 1.00 0.00 C ATOM 148 O ALA A 197 -41.910 3.056 1.347 1.00 0.00 O ATOM 149 CB ALA A 197 -39.715 3.626 -0.337 1.00 0.00 C ATOM 0 H ALA A 197 -39.277 2.390 2.243 1.00 0.00 H new ATOM 0 HA ALA A 197 -39.457 5.117 1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -40.399 4.242 -0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -38.703 3.740 -0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -40.016 2.581 -0.410 1.00 0.00 H new ATOM 155 N LYS A 198 -41.457 4.816 2.699 1.00 0.00 N ATOM 156 CA LYS A 198 -42.797 4.950 3.257 1.00 0.00 C ATOM 157 C LYS A 198 -43.262 6.418 3.175 1.00 0.00 C ATOM 158 O LYS A 198 -43.378 7.091 4.203 1.00 0.00 O ATOM 159 CB LYS A 198 -42.875 4.280 4.649 1.00 0.00 C ATOM 160 CG LYS A 198 -41.982 4.869 5.758 1.00 0.00 C ATOM 161 CD LYS A 198 -42.106 4.060 7.058 1.00 0.00 C ATOM 162 CE LYS A 198 -41.309 4.733 8.187 1.00 0.00 C ATOM 163 NZ LYS A 198 -41.757 4.298 9.527 1.00 0.00 N ATOM 0 H LYS A 198 -40.778 5.456 3.111 1.00 0.00 H new ATOM 0 HA LYS A 198 -43.526 4.401 2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 198 -43.910 4.323 4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 198 -42.621 3.226 4.533 1.00 0.00 H new ATOM 0 HG2 LYS A 198 -40.943 4.875 5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 198 -42.263 5.906 5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 198 -43.155 3.978 7.344 1.00 0.00 H new ATOM 0 HD3 LYS A 198 -41.738 3.046 6.899 1.00 0.00 H new ATOM 0 HE2 LYS A 198 -40.250 4.503 8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 198 -41.411 5.815 8.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 198 -41.054 4.583 10.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 198 -42.672 4.741 9.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 198 -41.861 3.263 9.539 1.00 0.00 H new ATOM 177 N PRO A 199 -43.485 6.978 1.965 1.00 0.00 N ATOM 178 CA PRO A 199 -43.860 8.381 1.797 1.00 0.00 C ATOM 179 C PRO A 199 -45.363 8.624 2.029 1.00 0.00 C ATOM 180 O PRO A 199 -45.979 9.442 1.347 1.00 0.00 O ATOM 181 CB PRO A 199 -43.415 8.708 0.369 1.00 0.00 C ATOM 182 CG PRO A 199 -43.740 7.409 -0.367 1.00 0.00 C ATOM 183 CD PRO A 199 -43.362 6.341 0.662 1.00 0.00 C ATOM 0 HA PRO A 199 -43.387 9.030 2.533 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -43.958 9.558 -0.044 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -42.354 8.952 0.318 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -44.793 7.352 -0.643 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -43.163 7.309 -1.287 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -44.021 5.476 0.587 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -42.346 5.983 0.497 1.00 0.00 H new ATOM 191 N GLU A 200 -45.911 8.004 3.067 1.00 0.00 N ATOM 192 CA GLU A 200 -47.232 8.215 3.644 1.00 0.00 C ATOM 193 C GLU A 200 -47.189 8.134 5.167 1.00 0.00 C ATOM 194 O GLU A 200 -48.131 8.550 5.835 1.00 0.00 O ATOM 195 CB GLU A 200 -48.238 7.236 3.019 1.00 0.00 C ATOM 196 CG GLU A 200 -48.084 5.743 3.360 1.00 0.00 C ATOM 197 CD GLU A 200 -46.771 5.160 2.828 1.00 0.00 C ATOM 198 OE1 GLU A 200 -46.731 4.690 1.668 1.00 0.00 O ATOM 199 OE2 GLU A 200 -45.772 5.245 3.573 1.00 0.00 O ATOM 0 H GLU A 200 -45.398 7.279 3.569 1.00 0.00 H new ATOM 0 HA GLU A 200 -47.571 9.224 3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -49.239 7.547 3.317 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -48.181 7.341 1.936 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -48.125 5.613 4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -48.923 5.188 2.940 1.00 0.00 H new ATOM 206 N ASP A 201 -46.063 7.666 5.703 1.00 0.00 N ATOM 207 CA ASP A 201 -45.825 7.492 7.134 1.00 0.00 C ATOM 208 C ASP A 201 -44.627 8.293 7.629 1.00 0.00 C ATOM 209 O ASP A 201 -44.712 8.910 8.693 1.00 0.00 O ATOM 210 CB ASP A 201 -45.654 6.009 7.437 1.00 0.00 C ATOM 211 CG ASP A 201 -45.191 5.743 8.880 1.00 0.00 C ATOM 212 OD1 ASP A 201 -43.974 5.849 9.165 1.00 0.00 O ATOM 213 OD2 ASP A 201 -45.995 5.379 9.761 1.00 0.00 O ATOM 0 H ASP A 201 -45.264 7.388 5.133 1.00 0.00 H new ATOM 0 HA ASP A 201 -46.691 7.879 7.671 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -46.600 5.496 7.264 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -44.929 5.583 6.744 1.00 0.00 H new ATOM 218 N TRP A 202 -43.502 8.300 6.899 1.00 0.00 N ATOM 219 CA TRP A 202 -42.266 8.883 7.433 1.00 0.00 C ATOM 220 C TRP A 202 -42.363 10.388 7.646 1.00 0.00 C ATOM 221 O TRP A 202 -41.554 10.931 8.397 1.00 0.00 O ATOM 222 CB TRP A 202 -41.037 8.557 6.568 1.00 0.00 C ATOM 223 CG TRP A 202 -40.892 9.259 5.248 1.00 0.00 C ATOM 224 CD1 TRP A 202 -41.885 9.758 4.477 1.00 0.00 C ATOM 225 CD2 TRP A 202 -39.658 9.548 4.528 1.00 0.00 C ATOM 226 NE1 TRP A 202 -41.353 10.372 3.364 1.00 0.00 N ATOM 227 CE2 TRP A 202 -39.983 10.269 3.344 1.00 0.00 C ATOM 228 CE3 TRP A 202 -38.295 9.267 4.752 1.00 0.00 C ATOM 229 CZ2 TRP A 202 -39.007 10.712 2.445 1.00 0.00 C ATOM 230 CZ3 TRP A 202 -37.306 9.679 3.838 1.00 0.00 C ATOM 231 CH2 TRP A 202 -37.657 10.417 2.697 1.00 0.00 C ATOM 0 H TRP A 202 -43.423 7.917 5.957 1.00 0.00 H new ATOM 0 HA TRP A 202 -42.133 8.414 8.408 1.00 0.00 H new ATOM 0 HB2 TRP A 202 -40.147 8.772 7.159 1.00 0.00 H new ATOM 0 HB3 TRP A 202 -41.040 7.484 6.376 1.00 0.00 H new ATOM 0 HD1 TRP A 202 -42.939 9.686 4.701 1.00 0.00 H new ATOM 0 HE1 TRP A 202 -41.905 10.843 2.647 1.00 0.00 H new ATOM 0 HE3 TRP A 202 -38.004 8.726 5.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 202 -39.288 11.275 1.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 202 -36.271 9.426 4.016 1.00 0.00 H new ATOM 0 HH2 TRP A 202 -36.892 10.757 2.015 1.00 0.00 H new ATOM 242 N ASP A 203 -43.305 11.060 6.973 1.00 0.00 N ATOM 243 CA ASP A 203 -43.570 12.499 7.097 1.00 0.00 C ATOM 244 C ASP A 203 -42.287 13.321 6.833 1.00 0.00 C ATOM 245 O ASP A 203 -42.129 14.452 7.274 1.00 0.00 O ATOM 246 CB ASP A 203 -44.289 12.706 8.448 1.00 0.00 C ATOM 247 CG ASP A 203 -44.766 14.128 8.751 1.00 0.00 C ATOM 248 OD1 ASP A 203 -45.291 14.782 7.823 1.00 0.00 O ATOM 249 OD2 ASP A 203 -44.691 14.496 9.947 1.00 0.00 O ATOM 0 H ASP A 203 -43.925 10.602 6.305 1.00 0.00 H new ATOM 0 HA ASP A 203 -44.242 12.887 6.332 1.00 0.00 H new ATOM 0 HB2 ASP A 203 -45.152 12.041 8.482 1.00 0.00 H new ATOM 0 HB3 ASP A 203 -43.615 12.394 9.246 1.00 0.00 H new ATOM 254 N GLU A 204 -41.298 12.697 6.166 1.00 0.00 N ATOM 255 CA GLU A 204 -39.900 13.087 5.955 1.00 0.00 C ATOM 256 C GLU A 204 -39.101 13.267 7.264 1.00 0.00 C ATOM 257 O GLU A 204 -37.866 13.191 7.290 1.00 0.00 O ATOM 258 CB GLU A 204 -39.848 14.256 4.948 1.00 0.00 C ATOM 259 CG GLU A 204 -39.849 13.671 3.528 1.00 0.00 C ATOM 260 CD GLU A 204 -39.996 14.652 2.365 1.00 0.00 C ATOM 261 OE1 GLU A 204 -39.120 15.523 2.164 1.00 0.00 O ATOM 262 OE2 GLU A 204 -40.888 14.417 1.517 1.00 0.00 O ATOM 0 H GLU A 204 -41.487 11.804 5.711 1.00 0.00 H new ATOM 0 HA GLU A 204 -39.355 12.263 5.495 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -40.705 14.915 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -38.953 14.857 5.110 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -38.918 13.121 3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -40.661 12.946 3.462 1.00 0.00 H new ATOM 269 N ARG A 205 -39.793 13.349 8.398 1.00 0.00 N ATOM 270 CA ARG A 205 -39.289 13.616 9.737 1.00 0.00 C ATOM 271 C ARG A 205 -39.080 12.381 10.605 1.00 0.00 C ATOM 272 O ARG A 205 -38.662 12.495 11.755 1.00 0.00 O ATOM 273 CB ARG A 205 -40.205 14.659 10.394 1.00 0.00 C ATOM 274 CG ARG A 205 -41.681 14.242 10.479 1.00 0.00 C ATOM 275 CD ARG A 205 -42.096 13.451 11.718 1.00 0.00 C ATOM 276 NE ARG A 205 -42.530 14.328 12.814 1.00 0.00 N ATOM 277 CZ ARG A 205 -43.429 14.002 13.745 1.00 0.00 C ATOM 278 NH1 ARG A 205 -43.953 12.778 13.782 1.00 0.00 N ATOM 279 NH2 ARG A 205 -43.782 14.906 14.651 1.00 0.00 N ATOM 0 H ARG A 205 -40.805 13.219 8.401 1.00 0.00 H new ATOM 0 HA ARG A 205 -38.278 14.011 9.640 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -39.839 14.864 11.400 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -40.135 15.591 9.833 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -42.293 15.142 10.428 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -41.918 13.645 9.598 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -42.906 12.769 11.458 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -41.259 12.839 12.054 1.00 0.00 H new ATOM 0 HE ARG A 205 -42.112 15.257 12.867 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -43.668 12.080 13.095 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -44.639 12.539 14.497 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -43.367 15.838 14.630 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -44.468 14.669 15.368 1.00 0.00 H new ATOM 293 N ALA A 206 -39.284 11.203 10.041 1.00 0.00 N ATOM 294 CA ALA A 206 -39.114 9.900 10.683 1.00 0.00 C ATOM 295 C ALA A 206 -38.347 8.940 9.762 1.00 0.00 C ATOM 296 O ALA A 206 -38.839 7.880 9.376 1.00 0.00 O ATOM 297 CB ALA A 206 -40.478 9.350 11.124 1.00 0.00 C ATOM 0 H ALA A 206 -39.589 11.120 9.071 1.00 0.00 H new ATOM 0 HA ALA A 206 -38.509 10.011 11.583 1.00 0.00 H new ATOM 0 HB1 ALA A 206 -40.342 8.379 11.601 1.00 0.00 H new ATOM 0 HB2 ALA A 206 -40.937 10.041 11.831 1.00 0.00 H new ATOM 0 HB3 ALA A 206 -41.124 9.239 10.253 1.00 0.00 H new ATOM 408 N SER A 214 -24.023 3.661 10.539 1.00 0.00 N ATOM 409 CA SER A 214 -23.751 4.277 9.262 1.00 0.00 C ATOM 410 C SER A 214 -22.290 4.372 8.911 1.00 0.00 C ATOM 411 O SER A 214 -21.827 5.376 8.361 1.00 0.00 O ATOM 412 CB SER A 214 -24.456 5.645 9.250 1.00 0.00 C ATOM 413 OG SER A 214 -25.789 5.610 9.757 1.00 0.00 O ATOM 0 HA SER A 214 -24.147 3.635 8.475 1.00 0.00 H new ATOM 0 HB2 SER A 214 -23.871 6.350 9.841 1.00 0.00 H new ATOM 0 HB3 SER A 214 -24.476 6.024 8.228 1.00 0.00 H new ATOM 0 HG SER A 214 -25.858 4.919 10.449 1.00 0.00 H new ATOM 419 N LYS A 215 -21.659 3.227 9.144 1.00 0.00 N ATOM 420 CA LYS A 215 -20.316 2.800 8.845 1.00 0.00 C ATOM 421 C LYS A 215 -19.909 1.709 9.841 1.00 0.00 C ATOM 422 O LYS A 215 -19.706 2.017 11.017 1.00 0.00 O ATOM 423 CB LYS A 215 -19.349 3.976 8.873 1.00 0.00 C ATOM 424 CG LYS A 215 -18.933 4.361 7.456 1.00 0.00 C ATOM 425 CD LYS A 215 -17.838 5.422 7.412 1.00 0.00 C ATOM 426 CE LYS A 215 -17.469 5.696 5.947 1.00 0.00 C ATOM 427 NZ LYS A 215 -16.249 6.517 5.827 1.00 0.00 N ATOM 0 H LYS A 215 -22.162 2.475 9.616 1.00 0.00 H new ATOM 0 HA LYS A 215 -20.280 2.389 7.836 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -19.818 4.828 9.365 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -18.468 3.716 9.459 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -18.586 3.470 6.933 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -19.806 4.728 6.916 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -18.182 6.338 7.892 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -16.962 5.082 7.964 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -17.321 4.749 5.428 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -18.298 6.204 5.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -16.017 6.649 4.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -16.409 7.444 6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -15.459 6.037 6.304 1.00 0.00 H new ATOM 441 N PRO A 216 -19.788 0.439 9.426 1.00 0.00 N ATOM 442 CA PRO A 216 -19.175 -0.570 10.278 1.00 0.00 C ATOM 443 C PRO A 216 -17.664 -0.331 10.342 1.00 0.00 C ATOM 444 O PRO A 216 -17.081 0.318 9.470 1.00 0.00 O ATOM 445 CB PRO A 216 -19.506 -1.901 9.611 1.00 0.00 C ATOM 446 CG PRO A 216 -19.609 -1.543 8.131 1.00 0.00 C ATOM 447 CD PRO A 216 -20.078 -0.090 8.108 1.00 0.00 C ATOM 0 HA PRO A 216 -19.540 -0.545 11.305 1.00 0.00 H new ATOM 0 HB2 PRO A 216 -18.729 -2.644 9.791 1.00 0.00 H new ATOM 0 HB3 PRO A 216 -20.440 -2.318 9.989 1.00 0.00 H new ATOM 0 HG2 PRO A 216 -18.648 -1.655 7.630 1.00 0.00 H new ATOM 0 HG3 PRO A 216 -20.315 -2.194 7.616 1.00 0.00 H new ATOM 0 HD2 PRO A 216 -19.558 0.477 7.336 1.00 0.00 H new ATOM 0 HD3 PRO A 216 -21.143 -0.026 7.887 1.00 0.00 H new ATOM 455 N GLU A 217 -16.995 -0.944 11.316 1.00 0.00 N ATOM 456 CA GLU A 217 -15.646 -0.511 11.684 1.00 0.00 C ATOM 457 C GLU A 217 -14.551 -1.088 10.768 1.00 0.00 C ATOM 458 O GLU A 217 -13.410 -0.632 10.767 1.00 0.00 O ATOM 459 CB GLU A 217 -15.455 -0.877 13.169 1.00 0.00 C ATOM 460 CG GLU A 217 -14.320 -0.131 13.871 1.00 0.00 C ATOM 461 CD GLU A 217 -14.496 1.386 13.806 1.00 0.00 C ATOM 462 OE1 GLU A 217 -15.169 1.979 14.679 1.00 0.00 O ATOM 463 OE2 GLU A 217 -13.882 2.035 12.930 1.00 0.00 O ATOM 0 H GLU A 217 -17.356 -1.729 11.858 1.00 0.00 H new ATOM 0 HA GLU A 217 -15.543 0.565 11.545 1.00 0.00 H new ATOM 0 HB2 GLU A 217 -16.386 -0.678 13.701 1.00 0.00 H new ATOM 0 HB3 GLU A 217 -15.268 -1.948 13.244 1.00 0.00 H new ATOM 0 HG2 GLU A 217 -14.272 -0.445 14.914 1.00 0.00 H new ATOM 0 HG3 GLU A 217 -13.370 -0.404 13.412 1.00 0.00 H new ATOM 470 N ASP A 218 -14.939 -1.987 9.866 1.00 0.00 N ATOM 471 CA ASP A 218 -14.087 -2.556 8.812 1.00 0.00 C ATOM 472 C ASP A 218 -14.308 -1.798 7.489 1.00 0.00 C ATOM 473 O ASP A 218 -13.766 -2.153 6.441 1.00 0.00 O ATOM 474 CB ASP A 218 -14.367 -4.069 8.696 1.00 0.00 C ATOM 475 CG ASP A 218 -13.346 -4.887 7.885 1.00 0.00 C ATOM 476 OD1 ASP A 218 -12.235 -4.425 7.540 1.00 0.00 O ATOM 477 OD2 ASP A 218 -13.646 -6.068 7.584 1.00 0.00 O ATOM 0 H ASP A 218 -15.890 -2.356 9.844 1.00 0.00 H new ATOM 0 HA ASP A 218 -13.033 -2.438 9.065 1.00 0.00 H new ATOM 0 HB2 ASP A 218 -14.419 -4.486 9.702 1.00 0.00 H new ATOM 0 HB3 ASP A 218 -15.350 -4.202 8.244 1.00 0.00 H new ATOM 482 N TRP A 219 -15.139 -0.748 7.481 1.00 0.00 N ATOM 483 CA TRP A 219 -15.414 0.026 6.274 1.00 0.00 C ATOM 484 C TRP A 219 -14.342 1.070 5.984 1.00 0.00 C ATOM 485 O TRP A 219 -14.072 1.366 4.815 1.00 0.00 O ATOM 486 CB TRP A 219 -16.761 0.736 6.384 1.00 0.00 C ATOM 487 CG TRP A 219 -17.281 1.149 5.051 1.00 0.00 C ATOM 488 CD1 TRP A 219 -16.889 2.238 4.353 1.00 0.00 C ATOM 489 CD2 TRP A 219 -18.183 0.411 4.181 1.00 0.00 C ATOM 490 NE1 TRP A 219 -17.474 2.213 3.105 1.00 0.00 N ATOM 491 CE2 TRP A 219 -18.288 1.118 2.952 1.00 0.00 C ATOM 492 CE3 TRP A 219 -18.894 -0.801 4.288 1.00 0.00 C ATOM 493 CZ2 TRP A 219 -19.081 0.667 1.894 1.00 0.00 C ATOM 494 CZ3 TRP A 219 -19.679 -1.277 3.223 1.00 0.00 C ATOM 495 CH2 TRP A 219 -19.775 -0.539 2.032 1.00 0.00 C ATOM 0 H TRP A 219 -15.635 -0.416 8.308 1.00 0.00 H new ATOM 0 HA TRP A 219 -15.425 -0.692 5.454 1.00 0.00 H new ATOM 0 HB2 TRP A 219 -17.481 0.075 6.866 1.00 0.00 H new ATOM 0 HB3 TRP A 219 -16.658 1.614 7.021 1.00 0.00 H new ATOM 0 HD1 TRP A 219 -16.223 3.007 4.716 1.00 0.00 H new ATOM 0 HE1 TRP A 219 -17.321 2.920 2.385 1.00 0.00 H new ATOM 0 HE3 TRP A 219 -18.835 -1.373 5.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 219 -19.157 1.242 0.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 219 -20.210 -2.213 3.321 1.00 0.00 H new ATOM 0 HH2 TRP A 219 -20.387 -0.904 1.220 1.00 0.00 H new ATOM 506 N ASP A 220 -13.795 1.684 7.033 1.00 0.00 N ATOM 507 CA ASP A 220 -12.940 2.860 6.926 1.00 0.00 C ATOM 508 C ASP A 220 -11.564 2.414 6.443 1.00 0.00 C ATOM 509 O ASP A 220 -10.663 2.134 7.240 1.00 0.00 O ATOM 510 CB ASP A 220 -12.892 3.632 8.258 1.00 0.00 C ATOM 511 CG ASP A 220 -14.106 4.538 8.441 1.00 0.00 C ATOM 512 OD1 ASP A 220 -14.453 5.273 7.487 1.00 0.00 O ATOM 513 OD2 ASP A 220 -14.724 4.539 9.529 1.00 0.00 O ATOM 0 H ASP A 220 -13.937 1.372 7.994 1.00 0.00 H new ATOM 0 HA ASP A 220 -13.347 3.561 6.197 1.00 0.00 H new ATOM 0 HB2 ASP A 220 -12.841 2.924 9.085 1.00 0.00 H new ATOM 0 HB3 ASP A 220 -11.983 4.233 8.296 1.00 0.00 H new ATOM 518 N LYS A 221 -11.426 2.263 5.125 1.00 0.00 N ATOM 519 CA LYS A 221 -10.190 1.856 4.474 1.00 0.00 C ATOM 520 C LYS A 221 -9.537 3.084 3.853 1.00 0.00 C ATOM 521 O LYS A 221 -10.252 3.925 3.295 1.00 0.00 O ATOM 522 CB LYS A 221 -10.450 0.786 3.403 1.00 0.00 C ATOM 523 CG LYS A 221 -11.049 -0.508 3.963 1.00 0.00 C ATOM 524 CD LYS A 221 -10.095 -1.302 4.865 1.00 0.00 C ATOM 525 CE LYS A 221 -10.898 -2.445 5.484 1.00 0.00 C ATOM 526 NZ LYS A 221 -10.063 -3.495 6.085 1.00 0.00 N ATOM 0 H LYS A 221 -12.191 2.425 4.470 1.00 0.00 H new ATOM 0 HA LYS A 221 -9.524 1.416 5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -11.125 1.193 2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -9.512 0.554 2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -11.948 -0.264 4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -11.358 -1.142 3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -9.256 -1.691 4.288 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -9.678 -0.661 5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -11.562 -2.039 6.248 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -11.530 -2.891 4.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -10.638 -4.065 6.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -9.681 -4.106 5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -9.278 -3.057 6.608 1.00 0.00 H new ATOM 540 N PRO A 222 -8.201 3.157 3.876 1.00 0.00 N ATOM 541 CA PRO A 222 -7.452 4.294 3.371 1.00 0.00 C ATOM 542 C PRO A 222 -7.482 4.352 1.846 1.00 0.00 C ATOM 543 O PRO A 222 -7.815 3.374 1.162 1.00 0.00 O ATOM 544 CB PRO A 222 -6.031 4.092 3.900 1.00 0.00 C ATOM 545 CG PRO A 222 -5.916 2.570 3.957 1.00 0.00 C ATOM 546 CD PRO A 222 -7.306 2.125 4.369 1.00 0.00 C ATOM 0 HA PRO A 222 -7.877 5.242 3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -5.285 4.531 3.238 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -5.894 4.547 4.881 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -5.631 2.153 2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -5.163 2.251 4.677 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -7.551 1.154 3.940 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -7.382 2.023 5.452 1.00 0.00 H new ATOM 554 N GLU A 223 -7.095 5.518 1.333 1.00 0.00 N ATOM 555 CA GLU A 223 -6.888 5.790 -0.073 1.00 0.00 C ATOM 556 C GLU A 223 -5.437 5.473 -0.409 1.00 0.00 C ATOM 557 O GLU A 223 -5.195 4.479 -1.074 1.00 0.00 O ATOM 558 CB GLU A 223 -7.268 7.240 -0.390 1.00 0.00 C ATOM 559 CG GLU A 223 -8.752 7.468 -0.140 1.00 0.00 C ATOM 560 CD GLU A 223 -9.164 8.932 -0.138 1.00 0.00 C ATOM 561 OE1 GLU A 223 -9.126 9.596 -1.202 1.00 0.00 O ATOM 562 OE2 GLU A 223 -9.534 9.420 0.953 1.00 0.00 O ATOM 0 H GLU A 223 -6.911 6.331 1.920 1.00 0.00 H new ATOM 0 HA GLU A 223 -7.528 5.163 -0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -6.680 7.920 0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -7.029 7.466 -1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -9.323 6.942 -0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -9.020 7.025 0.819 1.00 0.00 H new ATOM 569 N HIS A 224 -4.461 6.249 0.066 1.00 0.00 N ATOM 570 CA HIS A 224 -3.063 5.906 -0.188 1.00 0.00 C ATOM 571 C HIS A 224 -2.678 4.729 0.715 1.00 0.00 C ATOM 572 O HIS A 224 -2.832 4.818 1.940 1.00 0.00 O ATOM 573 CB HIS A 224 -2.126 7.113 -0.025 1.00 0.00 C ATOM 574 CG HIS A 224 -2.576 8.308 -0.824 1.00 0.00 C ATOM 575 ND1 HIS A 224 -3.018 9.507 -0.308 1.00 0.00 N ATOM 576 CD2 HIS A 224 -2.648 8.380 -2.189 1.00 0.00 C ATOM 577 CE1 HIS A 224 -3.376 10.286 -1.342 1.00 0.00 C ATOM 578 NE2 HIS A 224 -3.126 9.658 -2.507 1.00 0.00 N ATOM 0 H HIS A 224 -4.607 7.097 0.614 1.00 0.00 H new ATOM 0 HA HIS A 224 -2.949 5.604 -1.229 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -2.070 7.385 1.029 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -1.120 6.831 -0.335 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -2.386 7.600 -2.888 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -3.803 11.274 -1.252 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -3.259 10.040 -3.443 1.00 0.00 H new ATOM 586 N ILE A 225 -2.176 3.645 0.124 1.00 0.00 N ATOM 587 CA ILE A 225 -1.600 2.487 0.812 1.00 0.00 C ATOM 588 C ILE A 225 -0.195 2.248 0.258 1.00 0.00 C ATOM 589 O ILE A 225 0.049 2.621 -0.887 1.00 0.00 O ATOM 590 CB ILE A 225 -2.486 1.235 0.632 1.00 0.00 C ATOM 591 CG1 ILE A 225 -2.657 0.802 -0.845 1.00 0.00 C ATOM 592 CG2 ILE A 225 -3.846 1.478 1.298 1.00 0.00 C ATOM 593 CD1 ILE A 225 -3.254 -0.601 -1.007 1.00 0.00 C ATOM 0 H ILE A 225 -2.158 3.544 -0.891 1.00 0.00 H new ATOM 0 HA ILE A 225 -1.546 2.686 1.882 1.00 0.00 H new ATOM 0 HB ILE A 225 -1.975 0.404 1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -3.298 1.522 -1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -1.686 0.834 -1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -4.475 0.596 1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -3.701 1.673 2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -4.330 2.337 0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -3.345 -0.837 -2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -2.603 -1.331 -0.527 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -4.239 -0.633 -0.542 1.00 0.00 H new ATOM 605 N PRO A 226 0.735 1.638 1.006 1.00 0.00 N ATOM 606 CA PRO A 226 2.042 1.338 0.457 1.00 0.00 C ATOM 607 C PRO A 226 1.885 0.212 -0.571 1.00 0.00 C ATOM 608 O PRO A 226 0.996 -0.629 -0.434 1.00 0.00 O ATOM 609 CB PRO A 226 2.895 0.964 1.663 1.00 0.00 C ATOM 610 CG PRO A 226 1.893 0.320 2.621 1.00 0.00 C ATOM 611 CD PRO A 226 0.569 1.026 2.315 1.00 0.00 C ATOM 0 HA PRO A 226 2.516 2.162 -0.076 1.00 0.00 H new ATOM 0 HB2 PRO A 226 3.693 0.273 1.392 1.00 0.00 H new ATOM 0 HB3 PRO A 226 3.369 1.839 2.107 1.00 0.00 H new ATOM 0 HG2 PRO A 226 1.818 -0.755 2.455 1.00 0.00 H new ATOM 0 HG3 PRO A 226 2.189 0.462 3.660 1.00 0.00 H new ATOM 0 HD2 PRO A 226 -0.260 0.318 2.312 1.00 0.00 H new ATOM 0 HD3 PRO A 226 0.343 1.778 3.072 1.00 0.00 H new ATOM 619 N ASP A 227 2.735 0.212 -1.597 1.00 0.00 N ATOM 620 CA ASP A 227 2.726 -0.760 -2.686 1.00 0.00 C ATOM 621 C ASP A 227 2.918 -2.164 -2.108 1.00 0.00 C ATOM 622 O ASP A 227 4.025 -2.482 -1.659 1.00 0.00 O ATOM 623 CB ASP A 227 3.809 -0.418 -3.718 1.00 0.00 C ATOM 624 CG ASP A 227 3.779 -1.302 -4.967 1.00 0.00 C ATOM 625 OD1 ASP A 227 3.103 -2.353 -4.974 1.00 0.00 O ATOM 626 OD2 ASP A 227 4.410 -0.889 -5.975 1.00 0.00 O ATOM 0 H ASP A 227 3.471 0.911 -1.695 1.00 0.00 H new ATOM 0 HA ASP A 227 1.767 -0.727 -3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 227 3.694 0.623 -4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 227 4.787 -0.507 -3.246 1.00 0.00 H new ATOM 631 N PRO A 228 1.864 -2.998 -2.064 1.00 0.00 N ATOM 632 CA PRO A 228 1.893 -4.273 -1.362 1.00 0.00 C ATOM 633 C PRO A 228 2.727 -5.305 -2.124 1.00 0.00 C ATOM 634 O PRO A 228 3.026 -6.376 -1.581 1.00 0.00 O ATOM 635 CB PRO A 228 0.422 -4.692 -1.266 1.00 0.00 C ATOM 636 CG PRO A 228 -0.179 -4.119 -2.542 1.00 0.00 C ATOM 637 CD PRO A 228 0.583 -2.815 -2.735 1.00 0.00 C ATOM 0 HA PRO A 228 2.359 -4.196 -0.379 1.00 0.00 H new ATOM 0 HB2 PRO A 228 0.313 -5.776 -1.219 1.00 0.00 H new ATOM 0 HB3 PRO A 228 -0.057 -4.285 -0.376 1.00 0.00 H new ATOM 0 HG2 PRO A 228 -0.043 -4.793 -3.388 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -1.251 -3.947 -2.440 1.00 0.00 H new ATOM 0 HD2 PRO A 228 0.724 -2.598 -3.794 1.00 0.00 H new ATOM 0 HD3 PRO A 228 0.035 -1.975 -2.308 1.00 0.00 H new ATOM 645 N ASP A 229 3.075 -5.010 -3.378 1.00 0.00 N ATOM 646 CA ASP A 229 3.904 -5.855 -4.215 1.00 0.00 C ATOM 647 C ASP A 229 5.364 -5.758 -3.782 1.00 0.00 C ATOM 648 O ASP A 229 6.052 -6.773 -3.675 1.00 0.00 O ATOM 649 CB ASP A 229 3.769 -5.409 -5.674 1.00 0.00 C ATOM 650 CG ASP A 229 4.235 -6.515 -6.603 1.00 0.00 C ATOM 651 OD1 ASP A 229 5.437 -6.566 -6.957 1.00 0.00 O ATOM 652 OD2 ASP A 229 3.381 -7.331 -7.016 1.00 0.00 O ATOM 0 H ASP A 229 2.776 -4.153 -3.844 1.00 0.00 H new ATOM 0 HA ASP A 229 3.576 -6.890 -4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 229 2.731 -5.155 -5.890 1.00 0.00 H new ATOM 0 HB3 ASP A 229 4.359 -4.509 -5.843 1.00 0.00 H new ATOM 657 N ALA A 230 5.838 -4.537 -3.517 1.00 0.00 N ATOM 658 CA ALA A 230 7.218 -4.254 -3.171 1.00 0.00 C ATOM 659 C ALA A 230 7.498 -4.689 -1.729 1.00 0.00 C ATOM 660 O ALA A 230 6.608 -4.657 -0.877 1.00 0.00 O ATOM 661 CB ALA A 230 7.484 -2.763 -3.398 1.00 0.00 C ATOM 0 H ALA A 230 5.251 -3.703 -3.540 1.00 0.00 H new ATOM 0 HA ALA A 230 7.899 -4.820 -3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 230 8.519 -2.535 -3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 230 7.307 -2.517 -4.445 1.00 0.00 H new ATOM 0 HB3 ALA A 230 6.816 -2.174 -2.769 1.00 0.00 H new ATOM 667 N LYS A 231 8.733 -5.108 -1.440 1.00 0.00 N ATOM 668 CA LYS A 231 9.093 -5.775 -0.178 1.00 0.00 C ATOM 669 C LYS A 231 10.539 -5.564 0.256 1.00 0.00 C ATOM 670 O LYS A 231 11.092 -6.398 0.976 1.00 0.00 O ATOM 671 CB LYS A 231 8.683 -7.260 -0.291 1.00 0.00 C ATOM 672 CG LYS A 231 9.483 -8.040 -1.351 1.00 0.00 C ATOM 673 CD LYS A 231 10.474 -9.007 -0.718 1.00 0.00 C ATOM 674 CE LYS A 231 9.821 -10.291 -0.208 1.00 0.00 C ATOM 675 NZ LYS A 231 10.759 -11.055 0.636 1.00 0.00 N ATOM 0 H LYS A 231 9.520 -4.995 -2.078 1.00 0.00 H new ATOM 0 HA LYS A 231 8.540 -5.308 0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 231 8.816 -7.740 0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 231 7.622 -7.318 -0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 231 8.795 -8.593 -1.991 1.00 0.00 H new ATOM 0 HG3 LYS A 231 10.019 -7.338 -1.990 1.00 0.00 H new ATOM 0 HD2 LYS A 231 11.240 -9.263 -1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 231 10.978 -8.510 0.111 1.00 0.00 H new ATOM 0 HE2 LYS A 231 8.926 -10.047 0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 231 9.503 -10.903 -1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 10.295 -11.923 0.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 11.601 -11.305 0.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 11.042 -10.476 1.452 1.00 0.00 H new ATOM 689 N LYS A 232 11.087 -4.389 -0.054 1.00 0.00 N ATOM 690 CA LYS A 232 12.480 -4.027 -0.085 1.00 0.00 C ATOM 691 C LYS A 232 13.234 -4.933 -1.062 1.00 0.00 C ATOM 692 O LYS A 232 13.189 -6.159 -0.934 1.00 0.00 O ATOM 693 CB LYS A 232 13.030 -3.961 1.328 1.00 0.00 C ATOM 694 CG LYS A 232 14.552 -3.891 1.361 1.00 0.00 C ATOM 695 CD LYS A 232 15.016 -3.464 2.748 1.00 0.00 C ATOM 696 CE LYS A 232 16.465 -3.889 2.904 1.00 0.00 C ATOM 697 NZ LYS A 232 17.163 -3.025 3.873 1.00 0.00 N ATOM 0 H LYS A 232 10.497 -3.598 -0.313 1.00 0.00 H new ATOM 0 HA LYS A 232 12.622 -3.021 -0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 232 12.619 -3.087 1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 232 12.698 -4.837 1.885 1.00 0.00 H new ATOM 0 HG2 LYS A 232 14.976 -4.863 1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 232 14.910 -3.183 0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 232 14.919 -2.385 2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 232 14.397 -3.927 3.517 1.00 0.00 H new ATOM 0 HE2 LYS A 232 16.511 -4.926 3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 232 16.969 -3.841 1.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 18.190 -3.159 3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 16.925 -2.030 3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 16.867 -3.275 4.838 1.00 0.00 H new ATOM 711 N PRO A 233 13.896 -4.350 -2.071 1.00 0.00 N ATOM 712 CA PRO A 233 14.684 -5.114 -3.018 1.00 0.00 C ATOM 713 C PRO A 233 15.801 -5.831 -2.261 1.00 0.00 C ATOM 714 O PRO A 233 16.329 -5.306 -1.277 1.00 0.00 O ATOM 715 CB PRO A 233 15.218 -4.112 -4.048 1.00 0.00 C ATOM 716 CG PRO A 233 14.952 -2.727 -3.459 1.00 0.00 C ATOM 717 CD PRO A 233 14.016 -2.921 -2.286 1.00 0.00 C ATOM 0 HA PRO A 233 14.106 -5.882 -3.532 1.00 0.00 H new ATOM 0 HB2 PRO A 233 16.283 -4.264 -4.225 1.00 0.00 H new ATOM 0 HB3 PRO A 233 14.715 -4.232 -5.007 1.00 0.00 H new ATOM 0 HG2 PRO A 233 15.882 -2.259 -3.137 1.00 0.00 H new ATOM 0 HG3 PRO A 233 14.505 -2.069 -4.205 1.00 0.00 H new ATOM 0 HD2 PRO A 233 14.407 -2.429 -1.395 1.00 0.00 H new ATOM 0 HD3 PRO A 233 13.041 -2.479 -2.493 1.00 0.00 H new ATOM 725 N GLU A 234 16.191 -7.013 -2.738 1.00 0.00 N ATOM 726 CA GLU A 234 17.366 -7.713 -2.211 1.00 0.00 C ATOM 727 C GLU A 234 18.629 -6.875 -2.471 1.00 0.00 C ATOM 728 O GLU A 234 19.603 -6.957 -1.730 1.00 0.00 O ATOM 729 CB GLU A 234 17.487 -9.103 -2.871 1.00 0.00 C ATOM 730 CG GLU A 234 17.543 -10.251 -1.854 1.00 0.00 C ATOM 731 CD GLU A 234 16.156 -10.636 -1.317 1.00 0.00 C ATOM 732 OE1 GLU A 234 15.487 -9.797 -0.666 1.00 0.00 O ATOM 733 OE2 GLU A 234 15.689 -11.775 -1.558 1.00 0.00 O ATOM 0 H GLU A 234 15.711 -7.508 -3.490 1.00 0.00 H new ATOM 0 HA GLU A 234 17.256 -7.850 -1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 234 16.638 -9.257 -3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 234 18.385 -9.128 -3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 234 18.002 -11.122 -2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 234 18.183 -9.962 -1.021 1.00 0.00 H new ATOM 740 N ASP A 235 18.562 -6.041 -3.509 1.00 0.00 N ATOM 741 CA ASP A 235 19.569 -5.126 -4.023 1.00 0.00 C ATOM 742 C ASP A 235 19.661 -3.849 -3.174 1.00 0.00 C ATOM 743 O ASP A 235 20.462 -2.973 -3.493 1.00 0.00 O ATOM 744 CB ASP A 235 19.206 -4.727 -5.477 1.00 0.00 C ATOM 745 CG ASP A 235 18.627 -5.849 -6.349 1.00 0.00 C ATOM 746 OD1 ASP A 235 17.450 -6.220 -6.095 1.00 0.00 O ATOM 747 OD2 ASP A 235 19.318 -6.313 -7.280 1.00 0.00 O ATOM 0 H ASP A 235 17.709 -5.988 -4.066 1.00 0.00 H new ATOM 0 HA ASP A 235 20.532 -5.636 -3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 235 18.485 -3.911 -5.441 1.00 0.00 H new ATOM 0 HB3 ASP A 235 20.102 -4.340 -5.963 1.00 0.00 H new ATOM 752 N TRP A 236 18.794 -3.664 -2.167 1.00 0.00 N ATOM 753 CA TRP A 236 18.728 -2.418 -1.412 1.00 0.00 C ATOM 754 C TRP A 236 19.933 -2.264 -0.485 1.00 0.00 C ATOM 755 O TRP A 236 20.172 -3.117 0.375 1.00 0.00 O ATOM 756 CB TRP A 236 17.466 -2.349 -0.552 1.00 0.00 C ATOM 757 CG TRP A 236 17.270 -1.031 0.130 1.00 0.00 C ATOM 758 CD1 TRP A 236 17.742 -0.685 1.350 1.00 0.00 C ATOM 759 CD2 TRP A 236 16.706 0.190 -0.429 1.00 0.00 C ATOM 760 NE1 TRP A 236 17.434 0.633 1.614 1.00 0.00 N ATOM 761 CE2 TRP A 236 16.810 1.228 0.540 1.00 0.00 C ATOM 762 CE3 TRP A 236 16.171 0.534 -1.688 1.00 0.00 C ATOM 763 CZ2 TRP A 236 16.362 2.531 0.286 1.00 0.00 C ATOM 764 CZ3 TRP A 236 15.724 1.841 -1.960 1.00 0.00 C ATOM 765 CH2 TRP A 236 15.812 2.835 -0.970 1.00 0.00 C ATOM 0 H TRP A 236 18.127 -4.372 -1.860 1.00 0.00 H new ATOM 0 HA TRP A 236 18.719 -1.616 -2.150 1.00 0.00 H new ATOM 0 HB2 TRP A 236 16.599 -2.555 -1.179 1.00 0.00 H new ATOM 0 HB3 TRP A 236 17.508 -3.135 0.202 1.00 0.00 H new ATOM 0 HD1 TRP A 236 18.279 -1.343 2.017 1.00 0.00 H new ATOM 0 HE1 TRP A 236 17.642 1.107 2.493 1.00 0.00 H new ATOM 0 HE3 TRP A 236 16.103 -0.220 -2.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 16.439 3.293 1.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 15.313 2.080 -2.930 1.00 0.00 H new ATOM 0 HH2 TRP A 236 15.456 3.834 -1.175 1.00 0.00 H new ATOM 776 N ASP A 237 20.605 -1.120 -0.572 1.00 0.00 N ATOM 777 CA ASP A 237 21.757 -0.770 0.245 1.00 0.00 C ATOM 778 C ASP A 237 21.338 0.247 1.310 1.00 0.00 C ATOM 779 O ASP A 237 21.147 1.436 1.035 1.00 0.00 O ATOM 780 CB ASP A 237 22.869 -0.242 -0.654 1.00 0.00 C ATOM 781 CG ASP A 237 24.186 -0.050 0.116 1.00 0.00 C ATOM 782 OD1 ASP A 237 24.134 0.126 1.355 1.00 0.00 O ATOM 783 OD2 ASP A 237 25.245 -0.081 -0.552 1.00 0.00 O ATOM 0 H ASP A 237 20.352 -0.388 -1.236 1.00 0.00 H new ATOM 0 HA ASP A 237 22.140 -1.648 0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 237 23.029 -0.936 -1.479 1.00 0.00 H new ATOM 0 HB3 ASP A 237 22.562 0.708 -1.091 1.00 0.00 H new ATOM 788 N GLU A 238 21.142 -0.250 2.531 1.00 0.00 N ATOM 789 CA GLU A 238 20.695 0.532 3.679 1.00 0.00 C ATOM 790 C GLU A 238 21.823 1.368 4.299 1.00 0.00 C ATOM 791 O GLU A 238 21.543 2.225 5.136 1.00 0.00 O ATOM 792 CB GLU A 238 20.022 -0.433 4.676 1.00 0.00 C ATOM 793 CG GLU A 238 19.321 0.179 5.906 1.00 0.00 C ATOM 794 CD GLU A 238 18.519 -0.860 6.712 1.00 0.00 C ATOM 795 OE1 GLU A 238 18.030 -1.852 6.114 1.00 0.00 O ATOM 796 OE2 GLU A 238 18.304 -0.663 7.928 1.00 0.00 O ATOM 0 H GLU A 238 21.294 -1.234 2.753 1.00 0.00 H new ATOM 0 HA GLU A 238 19.965 1.276 3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 238 19.285 -1.021 4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 238 20.781 -1.128 5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 238 20.068 0.637 6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 238 18.651 0.975 5.579 1.00 0.00 H new ATOM 803 N GLU A 239 23.076 1.183 3.873 1.00 0.00 N ATOM 804 CA GLU A 239 24.173 2.084 4.234 1.00 0.00 C ATOM 805 C GLU A 239 24.387 3.151 3.144 1.00 0.00 C ATOM 806 O GLU A 239 25.108 4.122 3.384 1.00 0.00 O ATOM 807 CB GLU A 239 25.463 1.301 4.571 1.00 0.00 C ATOM 808 CG GLU A 239 25.344 0.508 5.890 1.00 0.00 C ATOM 809 CD GLU A 239 26.700 0.018 6.438 1.00 0.00 C ATOM 810 OE1 GLU A 239 27.467 0.864 6.959 1.00 0.00 O ATOM 811 OE2 GLU A 239 26.953 -1.210 6.402 1.00 0.00 O ATOM 0 H GLU A 239 23.357 0.409 3.271 1.00 0.00 H new ATOM 0 HA GLU A 239 23.895 2.615 5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 239 25.690 0.613 3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 239 26.299 1.997 4.643 1.00 0.00 H new ATOM 0 HG2 GLU A 239 24.864 1.136 6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 239 24.694 -0.352 5.730 1.00 0.00 H new ATOM 818 N MET A 240 23.733 3.030 1.979 1.00 0.00 N ATOM 819 CA MET A 240 23.846 3.991 0.885 1.00 0.00 C ATOM 820 C MET A 240 22.693 4.999 0.901 1.00 0.00 C ATOM 821 O MET A 240 22.950 6.202 0.906 1.00 0.00 O ATOM 822 CB MET A 240 23.940 3.259 -0.464 1.00 0.00 C ATOM 823 CG MET A 240 24.270 4.221 -1.618 1.00 0.00 C ATOM 824 SD MET A 240 25.846 3.943 -2.488 1.00 0.00 S ATOM 825 CE MET A 240 27.012 3.962 -1.096 1.00 0.00 C ATOM 0 H MET A 240 23.106 2.252 1.773 1.00 0.00 H new ATOM 0 HA MET A 240 24.765 4.560 1.026 1.00 0.00 H new ATOM 0 HB2 MET A 240 24.707 2.487 -0.405 1.00 0.00 H new ATOM 0 HB3 MET A 240 22.996 2.755 -0.670 1.00 0.00 H new ATOM 0 HG2 MET A 240 23.463 4.165 -2.349 1.00 0.00 H new ATOM 0 HG3 MET A 240 24.273 5.237 -1.224 1.00 0.00 H new ATOM 0 HE1 MET A 240 28.023 4.126 -1.470 1.00 0.00 H new ATOM 0 HE2 MET A 240 26.745 4.765 -0.409 1.00 0.00 H new ATOM 0 HE3 MET A 240 26.969 3.007 -0.572 1.00 0.00 H new ATOM 835 N ASP A 241 21.438 4.533 0.863 1.00 0.00 N ATOM 836 CA ASP A 241 20.251 5.411 0.787 1.00 0.00 C ATOM 837 C ASP A 241 19.552 5.534 2.147 1.00 0.00 C ATOM 838 O ASP A 241 18.810 6.486 2.401 1.00 0.00 O ATOM 839 CB ASP A 241 19.280 4.902 -0.288 1.00 0.00 C ATOM 840 CG ASP A 241 18.111 5.867 -0.547 1.00 0.00 C ATOM 841 OD1 ASP A 241 17.045 5.723 0.092 1.00 0.00 O ATOM 842 OD2 ASP A 241 18.212 6.722 -1.459 1.00 0.00 O ATOM 0 H ASP A 241 21.211 3.539 0.884 1.00 0.00 H new ATOM 0 HA ASP A 241 20.588 6.409 0.506 1.00 0.00 H new ATOM 0 HB2 ASP A 241 19.826 4.744 -1.218 1.00 0.00 H new ATOM 0 HB3 ASP A 241 18.884 3.934 0.017 1.00 0.00 H new ATOM 847 N GLY A 242 19.841 4.602 3.059 1.00 0.00 N ATOM 848 CA GLY A 242 19.194 4.490 4.349 1.00 0.00 C ATOM 849 C GLY A 242 18.032 3.514 4.255 1.00 0.00 C ATOM 850 O GLY A 242 18.059 2.556 3.486 1.00 0.00 O ATOM 0 H GLY A 242 20.554 3.888 2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 242 19.909 4.148 5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 242 18.836 5.467 4.673 1.00 0.00 H new ATOM 854 N GLU A 243 17.043 3.682 5.122 1.00 0.00 N ATOM 855 CA GLU A 243 15.928 2.758 5.231 1.00 0.00 C ATOM 856 C GLU A 243 15.060 2.793 3.969 1.00 0.00 C ATOM 857 O GLU A 243 14.753 3.856 3.428 1.00 0.00 O ATOM 858 CB GLU A 243 15.153 3.093 6.509 1.00 0.00 C ATOM 859 CG GLU A 243 13.700 2.609 6.501 1.00 0.00 C ATOM 860 CD GLU A 243 13.099 2.599 7.898 1.00 0.00 C ATOM 861 OE1 GLU A 243 13.272 1.579 8.604 1.00 0.00 O ATOM 862 OE2 GLU A 243 12.351 3.539 8.254 1.00 0.00 O ATOM 0 H GLU A 243 16.993 4.467 5.771 1.00 0.00 H new ATOM 0 HA GLU A 243 16.285 1.731 5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 243 15.668 2.649 7.361 1.00 0.00 H new ATOM 0 HB3 GLU A 243 15.165 4.173 6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 243 13.106 3.255 5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 243 13.654 1.605 6.078 1.00 0.00 H new ATOM 869 N TRP A 244 14.630 1.608 3.532 1.00 0.00 N ATOM 870 CA TRP A 244 13.689 1.459 2.439 1.00 0.00 C ATOM 871 C TRP A 244 12.301 1.938 2.862 1.00 0.00 C ATOM 872 O TRP A 244 11.819 1.641 3.962 1.00 0.00 O ATOM 873 CB TRP A 244 13.628 -0.005 2.001 1.00 0.00 C ATOM 874 CG TRP A 244 12.674 -0.270 0.881 1.00 0.00 C ATOM 875 CD1 TRP A 244 12.867 0.109 -0.400 1.00 0.00 C ATOM 876 CD2 TRP A 244 11.351 -0.890 0.923 1.00 0.00 C ATOM 877 NE1 TRP A 244 11.780 -0.262 -1.158 1.00 0.00 N ATOM 878 CE2 TRP A 244 10.814 -0.872 -0.395 1.00 0.00 C ATOM 879 CE3 TRP A 244 10.546 -1.471 1.928 1.00 0.00 C ATOM 880 CZ2 TRP A 244 9.557 -1.399 -0.703 1.00 0.00 C ATOM 881 CZ3 TRP A 244 9.291 -2.035 1.622 1.00 0.00 C ATOM 882 CH2 TRP A 244 8.792 -1.994 0.308 1.00 0.00 C ATOM 0 H TRP A 244 14.933 0.721 3.936 1.00 0.00 H new ATOM 0 HA TRP A 244 14.026 2.069 1.601 1.00 0.00 H new ATOM 0 HB2 TRP A 244 14.625 -0.324 1.697 1.00 0.00 H new ATOM 0 HB3 TRP A 244 13.345 -0.617 2.857 1.00 0.00 H new ATOM 0 HD1 TRP A 244 13.740 0.624 -0.773 1.00 0.00 H new ATOM 0 HE1 TRP A 244 11.701 -0.104 -2.163 1.00 0.00 H new ATOM 0 HE3 TRP A 244 10.898 -1.483 2.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 9.178 -1.348 -1.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 8.708 -2.502 2.402 1.00 0.00 H new ATOM 0 HH2 TRP A 244 7.825 -2.418 0.080 1.00 0.00 H new ATOM 893 N GLU A 245 11.620 2.621 1.948 1.00 0.00 N ATOM 894 CA GLU A 245 10.266 3.107 2.123 1.00 0.00 C ATOM 895 C GLU A 245 9.504 2.828 0.824 1.00 0.00 C ATOM 896 O GLU A 245 9.857 3.389 -0.219 1.00 0.00 O ATOM 897 CB GLU A 245 10.291 4.595 2.487 1.00 0.00 C ATOM 898 CG GLU A 245 10.442 4.808 4.003 1.00 0.00 C ATOM 899 CD GLU A 245 10.867 6.229 4.358 1.00 0.00 C ATOM 900 OE1 GLU A 245 12.011 6.613 4.020 1.00 0.00 O ATOM 901 OE2 GLU A 245 10.068 6.967 4.982 1.00 0.00 O ATOM 0 H GLU A 245 12.013 2.857 1.037 1.00 0.00 H new ATOM 0 HA GLU A 245 9.758 2.599 2.943 1.00 0.00 H new ATOM 0 HB2 GLU A 245 11.116 5.083 1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 245 9.372 5.069 2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 245 9.495 4.583 4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 245 11.178 4.105 4.393 1.00 0.00 H new ATOM 908 N PRO A 246 8.471 1.969 0.861 1.00 0.00 N ATOM 909 CA PRO A 246 7.656 1.642 -0.296 1.00 0.00 C ATOM 910 C PRO A 246 6.976 2.898 -0.849 1.00 0.00 C ATOM 911 O PRO A 246 6.701 3.834 -0.083 1.00 0.00 O ATOM 912 CB PRO A 246 6.609 0.620 0.165 1.00 0.00 C ATOM 913 CG PRO A 246 6.827 0.420 1.668 1.00 0.00 C ATOM 914 CD PRO A 246 8.024 1.275 2.046 1.00 0.00 C ATOM 0 HA PRO A 246 8.271 1.230 -1.096 1.00 0.00 H new ATOM 0 HB2 PRO A 246 5.600 0.981 -0.036 1.00 0.00 H new ATOM 0 HB3 PRO A 246 6.724 -0.322 -0.372 1.00 0.00 H new ATOM 0 HG2 PRO A 246 5.943 0.719 2.232 1.00 0.00 H new ATOM 0 HG3 PRO A 246 7.012 -0.630 1.897 1.00 0.00 H new ATOM 0 HD2 PRO A 246 7.752 1.988 2.825 1.00 0.00 H new ATOM 0 HD3 PRO A 246 8.824 0.653 2.448 1.00 0.00 H new ATOM 922 N PRO A 247 6.676 2.942 -2.155 1.00 0.00 N ATOM 923 CA PRO A 247 5.845 3.994 -2.718 1.00 0.00 C ATOM 924 C PRO A 247 4.410 3.806 -2.235 1.00 0.00 C ATOM 925 O PRO A 247 3.997 2.681 -1.963 1.00 0.00 O ATOM 926 CB PRO A 247 5.982 3.845 -4.232 1.00 0.00 C ATOM 927 CG PRO A 247 6.271 2.354 -4.429 1.00 0.00 C ATOM 928 CD PRO A 247 6.946 1.901 -3.134 1.00 0.00 C ATOM 0 HA PRO A 247 6.142 4.997 -2.413 1.00 0.00 H new ATOM 0 HB2 PRO A 247 5.070 4.147 -4.748 1.00 0.00 H new ATOM 0 HB3 PRO A 247 6.789 4.464 -4.623 1.00 0.00 H new ATOM 0 HG2 PRO A 247 5.353 1.796 -4.610 1.00 0.00 H new ATOM 0 HG3 PRO A 247 6.919 2.189 -5.289 1.00 0.00 H new ATOM 0 HD2 PRO A 247 6.549 0.941 -2.802 1.00 0.00 H new ATOM 0 HD3 PRO A 247 8.018 1.770 -3.278 1.00 0.00 H new ATOM 936 N VAL A 248 3.641 4.889 -2.140 1.00 0.00 N ATOM 937 CA VAL A 248 2.247 4.835 -1.743 1.00 0.00 C ATOM 938 C VAL A 248 1.450 4.873 -3.039 1.00 0.00 C ATOM 939 O VAL A 248 1.632 5.790 -3.844 1.00 0.00 O ATOM 940 CB VAL A 248 1.873 5.982 -0.776 1.00 0.00 C ATOM 941 CG1 VAL A 248 1.086 5.445 0.426 1.00 0.00 C ATOM 942 CG2 VAL A 248 3.064 6.760 -0.196 1.00 0.00 C ATOM 0 H VAL A 248 3.976 5.832 -2.339 1.00 0.00 H new ATOM 0 HA VAL A 248 2.027 3.928 -1.179 1.00 0.00 H new ATOM 0 HB VAL A 248 1.289 6.661 -1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 248 0.833 6.269 1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 248 0.171 4.967 0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 248 1.694 4.717 0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 248 2.698 7.542 0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 248 3.706 6.079 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 248 3.634 7.211 -1.008 1.00 0.00 H new ATOM 952 N ILE A 249 0.621 3.873 -3.279 1.00 0.00 N ATOM 953 CA ILE A 249 -0.257 3.775 -4.432 1.00 0.00 C ATOM 954 C ILE A 249 -1.666 4.121 -3.973 1.00 0.00 C ATOM 955 O ILE A 249 -1.947 4.175 -2.771 1.00 0.00 O ATOM 956 CB ILE A 249 -0.138 2.370 -5.065 1.00 0.00 C ATOM 957 CG1 ILE A 249 -0.680 1.244 -4.151 1.00 0.00 C ATOM 958 CG2 ILE A 249 1.342 2.133 -5.425 1.00 0.00 C ATOM 959 CD1 ILE A 249 -0.975 -0.060 -4.899 1.00 0.00 C ATOM 0 H ILE A 249 0.537 3.074 -2.650 1.00 0.00 H new ATOM 0 HA ILE A 249 0.023 4.478 -5.217 1.00 0.00 H new ATOM 0 HB ILE A 249 -0.760 2.337 -5.959 1.00 0.00 H new ATOM 0 HG12 ILE A 249 0.046 1.045 -3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -1.592 1.589 -3.664 1.00 0.00 H new ATOM 0 HG21 ILE A 249 1.454 1.146 -5.874 1.00 0.00 H new ATOM 0 HG22 ILE A 249 1.670 2.894 -6.133 1.00 0.00 H new ATOM 0 HG23 ILE A 249 1.950 2.191 -4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -1.351 -0.805 -4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -1.724 0.124 -5.669 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -0.060 -0.428 -5.363 1.00 0.00 H new ATOM 971 N GLN A 250 -2.567 4.345 -4.921 1.00 0.00 N ATOM 972 CA GLN A 250 -3.969 4.430 -4.616 1.00 0.00 C ATOM 973 C GLN A 250 -4.462 3.007 -4.391 1.00 0.00 C ATOM 974 O GLN A 250 -4.250 2.117 -5.213 1.00 0.00 O ATOM 975 CB GLN A 250 -4.690 5.153 -5.757 1.00 0.00 C ATOM 976 CG GLN A 250 -6.199 5.299 -5.542 1.00 0.00 C ATOM 977 CD GLN A 250 -6.555 5.751 -4.131 1.00 0.00 C ATOM 978 OE1 GLN A 250 -6.130 6.803 -3.673 1.00 0.00 O ATOM 979 NE2 GLN A 250 -7.282 4.946 -3.381 1.00 0.00 N ATOM 0 H GLN A 250 -2.340 4.470 -5.907 1.00 0.00 H new ATOM 0 HA GLN A 250 -4.170 5.010 -3.715 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -4.253 6.144 -5.880 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -4.516 4.610 -6.686 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -6.595 6.018 -6.259 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -6.684 4.344 -5.746 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -7.635 4.070 -3.766 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -7.492 5.200 -2.416 1.00 0.00 H new ATOM 988 N ASN A 251 -5.123 2.811 -3.257 1.00 0.00 N ATOM 989 CA ASN A 251 -5.801 1.593 -2.874 1.00 0.00 C ATOM 990 C ASN A 251 -6.771 1.184 -3.977 1.00 0.00 C ATOM 991 O ASN A 251 -7.707 1.952 -4.229 1.00 0.00 O ATOM 992 CB ASN A 251 -6.599 1.813 -1.579 1.00 0.00 C ATOM 993 CG ASN A 251 -7.174 0.531 -1.050 1.00 0.00 C ATOM 994 OD1 ASN A 251 -6.949 -0.527 -1.615 1.00 0.00 O ATOM 995 ND2 ASN A 251 -7.910 0.602 0.046 1.00 0.00 N ATOM 0 H ASN A 251 -5.201 3.539 -2.547 1.00 0.00 H new ATOM 0 HA ASN A 251 -5.055 0.814 -2.716 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -5.951 2.258 -0.824 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -7.405 2.523 -1.766 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -8.311 -0.246 0.447 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -8.077 1.505 0.491 1.00 0.00 H new ATOM 1002 N PRO A 252 -6.606 0.012 -4.612 1.00 0.00 N ATOM 1003 CA PRO A 252 -7.584 -0.480 -5.561 1.00 0.00 C ATOM 1004 C PRO A 252 -8.872 -0.926 -4.848 1.00 0.00 C ATOM 1005 O PRO A 252 -9.966 -0.728 -5.392 1.00 0.00 O ATOM 1006 CB PRO A 252 -6.884 -1.621 -6.302 1.00 0.00 C ATOM 1007 CG PRO A 252 -5.881 -2.151 -5.277 1.00 0.00 C ATOM 1008 CD PRO A 252 -5.473 -0.899 -4.509 1.00 0.00 C ATOM 0 HA PRO A 252 -7.910 0.289 -6.261 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -7.590 -2.393 -6.609 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -6.386 -1.267 -7.205 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -6.331 -2.897 -4.622 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -5.025 -2.625 -5.758 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -5.252 -1.133 -3.468 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -4.573 -0.455 -4.934 1.00 0.00 H new ATOM 1016 N GLU A 253 -8.796 -1.503 -3.633 1.00 0.00 N ATOM 1017 CA GLU A 253 -9.999 -2.023 -2.987 1.00 0.00 C ATOM 1018 C GLU A 253 -10.965 -0.897 -2.638 1.00 0.00 C ATOM 1019 O GLU A 253 -12.143 -1.059 -2.961 1.00 0.00 O ATOM 1020 CB GLU A 253 -9.785 -3.051 -1.860 1.00 0.00 C ATOM 1021 CG GLU A 253 -9.239 -2.469 -0.568 1.00 0.00 C ATOM 1022 CD GLU A 253 -9.155 -3.417 0.623 1.00 0.00 C ATOM 1023 OE1 GLU A 253 -8.787 -4.600 0.462 1.00 0.00 O ATOM 1024 OE2 GLU A 253 -9.423 -2.975 1.764 1.00 0.00 O ATOM 0 H GLU A 253 -7.935 -1.615 -3.097 1.00 0.00 H new ATOM 0 HA GLU A 253 -10.478 -2.646 -3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -10.735 -3.542 -1.649 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -9.100 -3.821 -2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -8.240 -2.079 -0.765 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -9.863 -1.621 -0.286 1.00 0.00 H new ATOM 1031 N TYR A 254 -10.493 0.185 -1.982 1.00 0.00 N ATOM 1032 CA TYR A 254 -11.175 1.466 -1.743 1.00 0.00 C ATOM 1033 C TYR A 254 -12.708 1.397 -1.810 1.00 0.00 C ATOM 1034 O TYR A 254 -13.264 1.511 -2.907 1.00 0.00 O ATOM 1035 CB TYR A 254 -10.614 2.604 -2.603 1.00 0.00 C ATOM 1036 CG TYR A 254 -11.119 3.950 -2.113 1.00 0.00 C ATOM 1037 CD1 TYR A 254 -10.732 4.388 -0.832 1.00 0.00 C ATOM 1038 CD2 TYR A 254 -12.026 4.721 -2.873 1.00 0.00 C ATOM 1039 CE1 TYR A 254 -11.296 5.548 -0.280 1.00 0.00 C ATOM 1040 CE2 TYR A 254 -12.564 5.905 -2.334 1.00 0.00 C ATOM 1041 CZ TYR A 254 -12.218 6.308 -1.026 1.00 0.00 C ATOM 1042 OH TYR A 254 -12.786 7.404 -0.463 1.00 0.00 O ATOM 0 H TYR A 254 -9.556 0.181 -1.578 1.00 0.00 H new ATOM 0 HA TYR A 254 -10.947 1.701 -0.703 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -9.525 2.586 -2.572 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -10.906 2.458 -3.643 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -9.998 3.828 -0.272 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -12.306 4.403 -3.866 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -11.023 5.859 0.718 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -13.242 6.506 -2.922 1.00 0.00 H new ATOM 0 HH TYR A 254 -13.398 7.821 -1.104 1.00 0.00 H new ATOM 1052 N LYS A 255 -13.409 1.217 -0.683 1.00 0.00 N ATOM 1053 CA LYS A 255 -14.857 0.954 -0.719 1.00 0.00 C ATOM 1054 C LYS A 255 -15.691 2.108 -1.289 1.00 0.00 C ATOM 1055 O LYS A 255 -16.847 1.873 -1.631 1.00 0.00 O ATOM 1056 CB LYS A 255 -15.412 0.471 0.631 1.00 0.00 C ATOM 1057 CG LYS A 255 -14.842 -0.902 1.004 1.00 0.00 C ATOM 1058 CD LYS A 255 -15.265 -1.305 2.414 1.00 0.00 C ATOM 1059 CE LYS A 255 -14.654 -2.677 2.692 1.00 0.00 C ATOM 1060 NZ LYS A 255 -14.797 -3.129 4.090 1.00 0.00 N ATOM 0 H LYS A 255 -13.006 1.248 0.253 1.00 0.00 H new ATOM 0 HA LYS A 255 -14.962 0.132 -1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -15.165 1.194 1.409 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -16.499 0.415 0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -15.187 -1.649 0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -13.754 -0.878 0.940 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -14.918 -0.574 3.144 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -16.351 -1.344 2.494 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -15.121 -3.411 2.035 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -13.595 -2.649 2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -14.450 -4.106 4.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -14.243 -2.508 4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -15.799 -3.092 4.366 1.00 0.00 H new ATOM 1074 N GLY A 256 -15.129 3.309 -1.451 1.00 0.00 N ATOM 1075 CA GLY A 256 -15.773 4.380 -2.195 1.00 0.00 C ATOM 1076 C GLY A 256 -16.999 4.900 -1.458 1.00 0.00 C ATOM 1077 O GLY A 256 -18.112 4.831 -1.989 1.00 0.00 O ATOM 0 H GLY A 256 -14.217 3.560 -1.069 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -15.066 5.195 -2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -16.064 4.018 -3.181 1.00 0.00 H new ATOM 1081 N GLU A 257 -16.753 5.451 -0.261 1.00 0.00 N ATOM 1082 CA GLU A 257 -17.693 5.935 0.745 1.00 0.00 C ATOM 1083 C GLU A 257 -18.514 4.756 1.297 1.00 0.00 C ATOM 1084 O GLU A 257 -18.431 3.637 0.792 1.00 0.00 O ATOM 1085 CB GLU A 257 -18.509 7.053 0.096 1.00 0.00 C ATOM 1086 CG GLU A 257 -19.430 7.915 0.951 1.00 0.00 C ATOM 1087 CD GLU A 257 -20.424 8.719 0.089 1.00 0.00 C ATOM 1088 OE1 GLU A 257 -20.842 8.210 -0.987 1.00 0.00 O ATOM 1089 OE2 GLU A 257 -20.736 9.886 0.424 1.00 0.00 O ATOM 0 H GLU A 257 -15.791 5.579 0.053 1.00 0.00 H new ATOM 0 HA GLU A 257 -17.202 6.360 1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -17.806 7.722 -0.400 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -19.121 6.598 -0.683 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -19.981 7.280 1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -18.832 8.601 1.552 1.00 0.00 H new ATOM 1096 N TRP A 258 -19.265 4.962 2.377 1.00 0.00 N ATOM 1097 CA TRP A 258 -20.240 4.006 2.898 1.00 0.00 C ATOM 1098 C TRP A 258 -21.612 4.488 2.513 1.00 0.00 C ATOM 1099 O TRP A 258 -21.817 5.697 2.395 1.00 0.00 O ATOM 1100 CB TRP A 258 -20.128 3.930 4.421 1.00 0.00 C ATOM 1101 CG TRP A 258 -21.305 3.340 5.136 1.00 0.00 C ATOM 1102 CD1 TRP A 258 -21.444 2.073 5.586 1.00 0.00 C ATOM 1103 CD2 TRP A 258 -22.567 4.005 5.434 1.00 0.00 C ATOM 1104 NE1 TRP A 258 -22.684 1.951 6.183 1.00 0.00 N ATOM 1105 CE2 TRP A 258 -23.466 3.047 5.970 1.00 0.00 C ATOM 1106 CE3 TRP A 258 -23.065 5.305 5.238 1.00 0.00 C ATOM 1107 CZ2 TRP A 258 -24.805 3.327 6.251 1.00 0.00 C ATOM 1108 CZ3 TRP A 258 -24.398 5.615 5.535 1.00 0.00 C ATOM 1109 CH2 TRP A 258 -25.253 4.638 6.064 1.00 0.00 C ATOM 0 H TRP A 258 -19.211 5.819 2.927 1.00 0.00 H new ATOM 0 HA TRP A 258 -20.056 3.014 2.486 1.00 0.00 H new ATOM 0 HB2 TRP A 258 -19.244 3.344 4.672 1.00 0.00 H new ATOM 0 HB3 TRP A 258 -19.962 4.937 4.804 1.00 0.00 H new ATOM 0 HD1 TRP A 258 -20.709 1.287 5.494 1.00 0.00 H new ATOM 0 HE1 TRP A 258 -22.980 1.136 6.720 1.00 0.00 H new ATOM 0 HE3 TRP A 258 -22.411 6.074 4.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 258 -25.474 2.555 6.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 258 -24.770 6.613 5.355 1.00 0.00 H new ATOM 0 HH2 TRP A 258 -26.266 4.900 6.329 1.00 0.00 H new ATOM 1120 N LYS A 259 -22.556 3.555 2.378 1.00 0.00 N ATOM 1121 CA LYS A 259 -23.937 3.889 2.143 1.00 0.00 C ATOM 1122 C LYS A 259 -24.859 2.859 2.781 1.00 0.00 C ATOM 1123 O LYS A 259 -24.439 1.716 3.001 1.00 0.00 O ATOM 1124 CB LYS A 259 -24.178 3.988 0.627 1.00 0.00 C ATOM 1125 CG LYS A 259 -23.363 5.098 -0.047 1.00 0.00 C ATOM 1126 CD LYS A 259 -23.748 5.402 -1.493 1.00 0.00 C ATOM 1127 CE LYS A 259 -23.226 4.326 -2.448 1.00 0.00 C ATOM 1128 NZ LYS A 259 -22.800 4.935 -3.721 1.00 0.00 N ATOM 0 H LYS A 259 -22.372 2.553 2.430 1.00 0.00 H new ATOM 0 HA LYS A 259 -24.161 4.851 2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 259 -23.930 3.033 0.164 1.00 0.00 H new ATOM 0 HB3 LYS A 259 -25.238 4.164 0.446 1.00 0.00 H new ATOM 0 HG2 LYS A 259 -23.468 6.011 0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 259 -22.309 4.821 -0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 259 -24.833 5.469 -1.576 1.00 0.00 H new ATOM 0 HD3 LYS A 259 -23.346 6.373 -1.782 1.00 0.00 H new ATOM 0 HE2 LYS A 259 -22.388 3.800 -1.991 1.00 0.00 H new ATOM 0 HE3 LYS A 259 -24.005 3.586 -2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 259 -22.448 4.194 -4.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 259 -23.609 5.417 -4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 259 -22.042 5.624 -3.540 1.00 0.00 H new ATOM 1142 N PRO A 260 -26.113 3.230 3.067 1.00 0.00 N ATOM 1143 CA PRO A 260 -27.097 2.335 3.638 1.00 0.00 C ATOM 1144 C PRO A 260 -27.656 1.425 2.540 1.00 0.00 C ATOM 1145 O PRO A 260 -28.749 1.658 2.030 1.00 0.00 O ATOM 1146 CB PRO A 260 -28.124 3.262 4.288 1.00 0.00 C ATOM 1147 CG PRO A 260 -28.057 4.563 3.499 1.00 0.00 C ATOM 1148 CD PRO A 260 -26.652 4.574 2.912 1.00 0.00 C ATOM 0 HA PRO A 260 -26.707 1.646 4.387 1.00 0.00 H new ATOM 0 HB2 PRO A 260 -29.124 2.830 4.247 1.00 0.00 H new ATOM 0 HB3 PRO A 260 -27.892 3.429 5.340 1.00 0.00 H new ATOM 0 HG2 PRO A 260 -28.815 4.593 2.717 1.00 0.00 H new ATOM 0 HG3 PRO A 260 -28.227 5.427 4.141 1.00 0.00 H new ATOM 0 HD2 PRO A 260 -26.676 4.861 1.861 1.00 0.00 H new ATOM 0 HD3 PRO A 260 -26.025 5.302 3.427 1.00 0.00 H new ATOM 1156 N ARG A 261 -26.893 0.389 2.177 1.00 0.00 N ATOM 1157 CA ARG A 261 -27.130 -0.495 1.037 1.00 0.00 C ATOM 1158 C ARG A 261 -26.974 0.363 -0.207 1.00 0.00 C ATOM 1159 O ARG A 261 -25.837 0.835 -0.430 1.00 0.00 O ATOM 1160 CB ARG A 261 -28.462 -1.281 1.144 1.00 0.00 C ATOM 1161 CG ARG A 261 -28.502 -2.408 0.101 1.00 0.00 C ATOM 1162 CD ARG A 261 -29.884 -3.043 -0.058 1.00 0.00 C ATOM 1163 NE ARG A 261 -30.106 -4.199 0.828 1.00 0.00 N ATOM 1164 CZ ARG A 261 -31.304 -4.735 1.086 1.00 0.00 C ATOM 1165 NH1 ARG A 261 -32.395 -4.224 0.524 1.00 0.00 N ATOM 1166 NH2 ARG A 261 -31.391 -5.797 1.884 1.00 0.00 N ATOM 0 H ARG A 261 -26.053 0.134 2.697 1.00 0.00 H new ATOM 0 HA ARG A 261 -26.402 -1.306 1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -28.566 -1.699 2.145 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -29.304 -0.606 0.992 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -28.180 -2.013 -0.862 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -27.787 -3.180 0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -30.646 -2.290 0.143 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -30.013 -3.359 -1.093 1.00 0.00 H new ATOM 0 HE ARG A 261 -29.291 -4.619 1.275 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -32.318 -3.424 -0.104 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -33.309 -4.632 0.720 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -30.547 -6.197 2.295 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -32.301 -6.211 2.085 1.00 0.00 H new