USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 284 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 Set 1.1: A 421 CYS SG : rot 143:sc= -1.58 USER MOD Set 1.2: A 427 CYS SG : rot 119:sc= -2.28 USER MOD Set 1.3: A 434 HIS : no HE2:sc= -0.721 K(o=-4.8,f=-8.9) USER MOD Set 1.4: A 435 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0389) USER MOD Set 1.5: A 440 HIS : no HD1:sc= -0.237 K(o=-4.8,f=-10) USER MOD Single : A 423 TYR OH : rot 180:sc= 0 USER MOD Single : A 426 SER OG : rot 180:sc= 0 USER MOD Single : A 428 TYR OH : rot 180:sc= 0 USER MOD Single : A 430 LYS NZ :NH3+ -134:sc= -0.0078 (180deg=-0.167) USER MOD Single : A 431 ASN : amide:sc= -0.06 X(o=-0.06,f=-0.29) USER MOD Single : A 433 GLN : amide:sc= -3.51! C(o=-3.5!,f=-4!) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 ASN : amide:sc= -3.37! C(o=-3.4!,f=-3!) USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 447 ASN : amide:sc= -0.0905 X(o=-0.091,f=0) USER MOD ----------------------------------------------------------------- ATOM 148 N ASP A 416 -1.781 -9.395 -8.991 1.00 0.00 N ATOM 149 CA ASP A 416 -1.174 -10.643 -9.578 1.00 0.00 C ATOM 150 C ASP A 416 0.187 -10.971 -8.930 1.00 0.00 C ATOM 151 O ASP A 416 0.605 -12.113 -8.929 1.00 0.00 O ATOM 152 CB ASP A 416 -0.993 -10.362 -11.075 1.00 0.00 C ATOM 153 CG ASP A 416 -2.285 -10.708 -11.817 1.00 0.00 C ATOM 154 OD1 ASP A 416 -3.344 -10.484 -11.256 1.00 0.00 O ATOM 155 OD2 ASP A 416 -2.192 -11.190 -12.934 1.00 0.00 O ATOM 0 HA ASP A 416 -1.818 -11.504 -9.399 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.741 -9.313 -11.231 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.165 -10.951 -11.469 1.00 0.00 H new ATOM 160 N ASP A 417 0.880 -9.997 -8.379 1.00 0.00 N ATOM 161 CA ASP A 417 2.204 -10.286 -7.740 1.00 0.00 C ATOM 162 C ASP A 417 2.524 -9.233 -6.670 1.00 0.00 C ATOM 163 O ASP A 417 3.632 -8.733 -6.600 1.00 0.00 O ATOM 164 CB ASP A 417 3.219 -10.217 -8.881 1.00 0.00 C ATOM 165 CG ASP A 417 3.438 -11.618 -9.452 1.00 0.00 C ATOM 166 OD1 ASP A 417 3.549 -12.547 -8.668 1.00 0.00 O ATOM 167 OD2 ASP A 417 3.491 -11.741 -10.665 1.00 0.00 O ATOM 0 H ASP A 417 0.586 -9.021 -8.345 1.00 0.00 H new ATOM 0 HA ASP A 417 2.216 -11.255 -7.241 1.00 0.00 H new ATOM 0 HB2 ASP A 417 2.860 -9.546 -9.662 1.00 0.00 H new ATOM 0 HB3 ASP A 417 4.162 -9.808 -8.519 1.00 0.00 H new ATOM 172 N ARG A 418 1.562 -8.879 -5.843 1.00 0.00 N ATOM 173 CA ARG A 418 1.824 -7.846 -4.788 1.00 0.00 C ATOM 174 C ARG A 418 2.038 -8.531 -3.432 1.00 0.00 C ATOM 175 O ARG A 418 1.315 -9.451 -3.101 1.00 0.00 O ATOM 176 CB ARG A 418 0.561 -6.973 -4.729 1.00 0.00 C ATOM 177 CG ARG A 418 0.228 -6.412 -6.117 1.00 0.00 C ATOM 178 CD ARG A 418 1.061 -5.159 -6.367 1.00 0.00 C ATOM 179 NE ARG A 418 0.154 -4.228 -7.103 1.00 0.00 N ATOM 180 CZ ARG A 418 -0.048 -4.349 -8.406 1.00 0.00 C ATOM 181 NH1 ARG A 418 0.506 -5.317 -9.101 1.00 0.00 N ATOM 182 NH2 ARG A 418 -0.823 -3.492 -9.020 1.00 0.00 N ATOM 0 H ARG A 418 0.615 -9.258 -5.854 1.00 0.00 H new ATOM 0 HA ARG A 418 2.713 -7.258 -5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 418 -0.278 -7.562 -4.358 1.00 0.00 H new ATOM 0 HB3 ARG A 418 0.711 -6.154 -4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 418 0.435 -7.159 -6.883 1.00 0.00 H new ATOM 0 HG3 ARG A 418 -0.834 -6.175 -6.181 1.00 0.00 H new ATOM 0 HD2 ARG A 418 1.401 -4.719 -5.430 1.00 0.00 H new ATOM 0 HD3 ARG A 418 1.951 -5.388 -6.953 1.00 0.00 H new ATOM 0 HE ARG A 418 -0.320 -3.484 -6.591 1.00 0.00 H new ATOM 0 HH11 ARG A 418 1.108 -5.998 -8.638 1.00 0.00 H new ATOM 0 HH12 ARG A 418 0.334 -5.388 -10.104 1.00 0.00 H new ATOM 0 HH21 ARG A 418 -1.266 -2.738 -8.495 1.00 0.00 H new ATOM 0 HH22 ARG A 418 -0.984 -3.578 -10.024 1.00 0.00 H new ATOM 196 N PRO A 419 3.011 -8.066 -2.675 1.00 0.00 N ATOM 197 CA PRO A 419 3.263 -8.674 -1.355 1.00 0.00 C ATOM 198 C PRO A 419 2.202 -8.163 -0.340 1.00 0.00 C ATOM 199 O PRO A 419 1.126 -8.723 -0.272 1.00 0.00 O ATOM 200 CB PRO A 419 4.697 -8.245 -1.031 1.00 0.00 C ATOM 201 CG PRO A 419 4.916 -6.977 -1.804 1.00 0.00 C ATOM 202 CD PRO A 419 3.950 -6.970 -2.964 1.00 0.00 C ATOM 0 HA PRO A 419 3.175 -9.760 -1.323 1.00 0.00 H new ATOM 0 HB2 PRO A 419 4.826 -8.081 0.039 1.00 0.00 H new ATOM 0 HB3 PRO A 419 5.413 -9.013 -1.324 1.00 0.00 H new ATOM 0 HG2 PRO A 419 4.753 -6.108 -1.166 1.00 0.00 H new ATOM 0 HG3 PRO A 419 5.944 -6.921 -2.163 1.00 0.00 H new ATOM 0 HD2 PRO A 419 3.431 -6.014 -3.042 1.00 0.00 H new ATOM 0 HD3 PRO A 419 4.466 -7.130 -3.910 1.00 0.00 H new ATOM 210 N GLU A 420 2.467 -7.116 0.440 1.00 0.00 N ATOM 211 CA GLU A 420 1.431 -6.628 1.421 1.00 0.00 C ATOM 212 C GLU A 420 1.904 -5.379 2.191 1.00 0.00 C ATOM 213 O GLU A 420 2.822 -5.450 2.986 1.00 0.00 O ATOM 214 CB GLU A 420 1.216 -7.784 2.415 1.00 0.00 C ATOM 215 CG GLU A 420 2.549 -8.169 3.071 1.00 0.00 C ATOM 216 CD GLU A 420 2.701 -9.692 3.087 1.00 0.00 C ATOM 217 OE1 GLU A 420 2.295 -10.318 2.122 1.00 0.00 O ATOM 218 OE2 GLU A 420 3.222 -10.206 4.064 1.00 0.00 O ATOM 0 H GLU A 420 3.342 -6.592 0.435 1.00 0.00 H new ATOM 0 HA GLU A 420 0.520 -6.346 0.893 1.00 0.00 H new ATOM 0 HB2 GLU A 420 0.498 -7.488 3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 420 0.794 -8.645 1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 420 3.377 -7.718 2.524 1.00 0.00 H new ATOM 0 HG3 GLU A 420 2.589 -7.780 4.088 1.00 0.00 H new ATOM 225 N CYS A 421 1.263 -4.244 1.988 1.00 0.00 N ATOM 226 CA CYS A 421 1.668 -3.009 2.757 1.00 0.00 C ATOM 227 C CYS A 421 1.462 -3.261 4.266 1.00 0.00 C ATOM 228 O CYS A 421 0.473 -3.853 4.652 1.00 0.00 O ATOM 229 CB CYS A 421 0.728 -1.884 2.267 1.00 0.00 C ATOM 230 SG CYS A 421 1.033 -0.347 3.176 1.00 0.00 S ATOM 0 H CYS A 421 0.490 -4.118 1.335 1.00 0.00 H new ATOM 0 HA CYS A 421 2.714 -2.747 2.600 1.00 0.00 H new ATOM 0 HB2 CYS A 421 0.879 -1.717 1.201 1.00 0.00 H new ATOM 0 HB3 CYS A 421 -0.310 -2.189 2.398 1.00 0.00 H new ATOM 0 HG CYS A 421 0.912 0.665 2.369 1.00 0.00 H new ATOM 235 N PRO A 422 2.386 -2.796 5.082 1.00 0.00 N ATOM 236 CA PRO A 422 2.252 -2.984 6.552 1.00 0.00 C ATOM 237 C PRO A 422 1.095 -2.115 7.092 1.00 0.00 C ATOM 238 O PRO A 422 0.356 -2.536 7.963 1.00 0.00 O ATOM 239 CB PRO A 422 3.598 -2.511 7.102 1.00 0.00 C ATOM 240 CG PRO A 422 4.125 -1.571 6.067 1.00 0.00 C ATOM 241 CD PRO A 422 3.617 -2.062 4.737 1.00 0.00 C ATOM 0 HA PRO A 422 2.024 -4.011 6.838 1.00 0.00 H new ATOM 0 HB2 PRO A 422 3.479 -2.013 8.064 1.00 0.00 H new ATOM 0 HB3 PRO A 422 4.278 -3.349 7.258 1.00 0.00 H new ATOM 0 HG2 PRO A 422 3.785 -0.553 6.259 1.00 0.00 H new ATOM 0 HG3 PRO A 422 5.215 -1.551 6.082 1.00 0.00 H new ATOM 0 HD2 PRO A 422 3.413 -1.235 4.056 1.00 0.00 H new ATOM 0 HD3 PRO A 422 4.344 -2.708 4.245 1.00 0.00 H new ATOM 249 N TYR A 423 0.935 -0.904 6.580 1.00 0.00 N ATOM 250 CA TYR A 423 -0.184 -0.016 7.076 1.00 0.00 C ATOM 251 C TYR A 423 -1.527 -0.779 7.052 1.00 0.00 C ATOM 252 O TYR A 423 -2.257 -0.769 8.027 1.00 0.00 O ATOM 253 CB TYR A 423 -0.209 1.211 6.150 1.00 0.00 C ATOM 254 CG TYR A 423 1.096 1.962 6.275 1.00 0.00 C ATOM 255 CD1 TYR A 423 1.677 2.196 7.560 1.00 0.00 C ATOM 256 CD2 TYR A 423 1.736 2.456 5.108 1.00 0.00 C ATOM 257 CE1 TYR A 423 2.894 2.917 7.671 1.00 0.00 C ATOM 258 CE2 TYR A 423 2.956 3.179 5.226 1.00 0.00 C ATOM 259 CZ TYR A 423 3.532 3.408 6.506 1.00 0.00 C ATOM 260 OH TYR A 423 4.717 4.101 6.618 1.00 0.00 O ATOM 0 H TYR A 423 1.522 -0.498 5.851 1.00 0.00 H new ATOM 0 HA TYR A 423 -0.025 0.293 8.109 1.00 0.00 H new ATOM 0 HB2 TYR A 423 -0.363 0.898 5.117 1.00 0.00 H new ATOM 0 HB3 TYR A 423 -1.042 1.862 6.414 1.00 0.00 H new ATOM 0 HD1 TYR A 423 1.189 1.823 8.448 1.00 0.00 H new ATOM 0 HD2 TYR A 423 1.299 2.284 4.135 1.00 0.00 H new ATOM 0 HE1 TYR A 423 3.333 3.091 8.642 1.00 0.00 H new ATOM 0 HE2 TYR A 423 3.446 3.555 4.340 1.00 0.00 H new ATOM 0 HH TYR A 423 5.025 4.368 5.727 1.00 0.00 H new ATOM 270 N GLY A 424 -1.842 -1.471 5.975 1.00 0.00 N ATOM 271 CA GLY A 424 -3.116 -2.260 5.938 1.00 0.00 C ATOM 272 C GLY A 424 -4.289 -1.397 5.438 1.00 0.00 C ATOM 273 O GLY A 424 -4.109 -0.561 4.576 1.00 0.00 O ATOM 0 H GLY A 424 -1.275 -1.521 5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -2.993 -3.125 5.286 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -3.340 -2.641 6.934 1.00 0.00 H new ATOM 277 N PRO A 425 -5.468 -1.634 5.991 1.00 0.00 N ATOM 278 CA PRO A 425 -6.675 -0.867 5.572 1.00 0.00 C ATOM 279 C PRO A 425 -6.585 0.613 5.998 1.00 0.00 C ATOM 280 O PRO A 425 -7.193 1.466 5.378 1.00 0.00 O ATOM 281 CB PRO A 425 -7.821 -1.571 6.297 1.00 0.00 C ATOM 282 CG PRO A 425 -7.181 -2.224 7.476 1.00 0.00 C ATOM 283 CD PRO A 425 -5.794 -2.615 7.045 1.00 0.00 C ATOM 0 HA PRO A 425 -6.799 -0.850 4.489 1.00 0.00 H new ATOM 0 HB2 PRO A 425 -8.589 -0.862 6.606 1.00 0.00 H new ATOM 0 HB3 PRO A 425 -8.305 -2.305 5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 425 -7.146 -1.542 8.326 1.00 0.00 H new ATOM 0 HG3 PRO A 425 -7.750 -3.098 7.792 1.00 0.00 H new ATOM 0 HD2 PRO A 425 -5.087 -2.563 7.873 1.00 0.00 H new ATOM 0 HD3 PRO A 425 -5.765 -3.636 6.665 1.00 0.00 H new ATOM 291 N SER A 426 -5.833 0.938 7.035 1.00 0.00 N ATOM 292 CA SER A 426 -5.722 2.372 7.458 1.00 0.00 C ATOM 293 C SER A 426 -4.434 2.973 6.881 1.00 0.00 C ATOM 294 O SER A 426 -3.628 3.536 7.598 1.00 0.00 O ATOM 295 CB SER A 426 -5.678 2.363 8.991 1.00 0.00 C ATOM 296 OG SER A 426 -7.006 2.348 9.498 1.00 0.00 O ATOM 0 H SER A 426 -5.299 0.276 7.598 1.00 0.00 H new ATOM 0 HA SER A 426 -6.558 2.972 7.099 1.00 0.00 H new ATOM 0 HB2 SER A 426 -5.131 1.489 9.346 1.00 0.00 H new ATOM 0 HB3 SER A 426 -5.147 3.242 9.356 1.00 0.00 H new ATOM 0 HG SER A 426 -6.982 2.340 10.478 1.00 0.00 H new ATOM 302 N CYS A 427 -4.239 2.860 5.584 1.00 0.00 N ATOM 303 CA CYS A 427 -3.006 3.431 4.958 1.00 0.00 C ATOM 304 C CYS A 427 -3.236 4.914 4.617 1.00 0.00 C ATOM 305 O CYS A 427 -3.809 5.247 3.596 1.00 0.00 O ATOM 306 CB CYS A 427 -2.737 2.618 3.688 1.00 0.00 C ATOM 307 SG CYS A 427 -1.059 2.972 3.125 1.00 0.00 S ATOM 0 H CYS A 427 -4.879 2.399 4.938 1.00 0.00 H new ATOM 0 HA CYS A 427 -2.153 3.376 5.634 1.00 0.00 H new ATOM 0 HB2 CYS A 427 -2.852 1.553 3.889 1.00 0.00 H new ATOM 0 HB3 CYS A 427 -3.459 2.876 2.913 1.00 0.00 H new ATOM 0 HG CYS A 427 -0.357 1.878 3.140 1.00 0.00 H new ATOM 312 N TYR A 428 -2.763 5.802 5.460 1.00 0.00 N ATOM 313 CA TYR A 428 -2.917 7.278 5.185 1.00 0.00 C ATOM 314 C TYR A 428 -2.092 7.686 3.927 1.00 0.00 C ATOM 315 O TYR A 428 -2.348 8.721 3.337 1.00 0.00 O ATOM 316 CB TYR A 428 -2.440 8.027 6.484 1.00 0.00 C ATOM 317 CG TYR A 428 -1.234 8.918 6.220 1.00 0.00 C ATOM 318 CD1 TYR A 428 -1.419 10.171 5.575 1.00 0.00 C ATOM 319 CD2 TYR A 428 0.079 8.495 6.587 1.00 0.00 C ATOM 320 CE1 TYR A 428 -0.302 10.999 5.293 1.00 0.00 C ATOM 321 CE2 TYR A 428 1.188 9.326 6.305 1.00 0.00 C ATOM 322 CZ TYR A 428 1.002 10.576 5.657 1.00 0.00 C ATOM 323 OH TYR A 428 2.091 11.381 5.384 1.00 0.00 O ATOM 0 H TYR A 428 -2.277 5.574 6.327 1.00 0.00 H new ATOM 0 HA TYR A 428 -3.951 7.544 4.963 1.00 0.00 H new ATOM 0 HB2 TYR A 428 -3.258 8.632 6.875 1.00 0.00 H new ATOM 0 HB3 TYR A 428 -2.189 7.296 7.252 1.00 0.00 H new ATOM 0 HD1 TYR A 428 -2.412 10.493 5.299 1.00 0.00 H new ATOM 0 HD2 TYR A 428 0.225 7.544 7.078 1.00 0.00 H new ATOM 0 HE1 TYR A 428 -0.444 11.950 4.802 1.00 0.00 H new ATOM 0 HE2 TYR A 428 2.182 9.008 6.584 1.00 0.00 H new ATOM 0 HH TYR A 428 2.909 10.943 5.700 1.00 0.00 H new ATOM 333 N ARG A 429 -1.107 6.899 3.518 1.00 0.00 N ATOM 334 CA ARG A 429 -0.300 7.290 2.314 1.00 0.00 C ATOM 335 C ARG A 429 -0.920 6.717 1.029 1.00 0.00 C ATOM 336 O ARG A 429 -1.426 5.611 1.015 1.00 0.00 O ATOM 337 CB ARG A 429 1.129 6.748 2.530 1.00 0.00 C ATOM 338 CG ARG A 429 1.142 5.215 2.560 1.00 0.00 C ATOM 339 CD ARG A 429 2.580 4.714 2.351 1.00 0.00 C ATOM 340 NE ARG A 429 3.032 5.228 1.008 1.00 0.00 N ATOM 341 CZ ARG A 429 4.321 5.283 0.701 1.00 0.00 C ATOM 342 NH1 ARG A 429 5.245 4.881 1.546 1.00 0.00 N ATOM 343 NH2 ARG A 429 4.688 5.736 -0.468 1.00 0.00 N ATOM 0 H ARG A 429 -0.836 6.021 3.961 1.00 0.00 H new ATOM 0 HA ARG A 429 -0.283 8.374 2.197 1.00 0.00 H new ATOM 0 HB2 ARG A 429 1.780 7.104 1.732 1.00 0.00 H new ATOM 0 HB3 ARG A 429 1.530 7.136 3.466 1.00 0.00 H new ATOM 0 HG2 ARG A 429 0.755 4.855 3.513 1.00 0.00 H new ATOM 0 HG3 ARG A 429 0.490 4.819 1.781 1.00 0.00 H new ATOM 0 HD2 ARG A 429 3.234 5.077 3.144 1.00 0.00 H new ATOM 0 HD3 ARG A 429 2.618 3.625 2.380 1.00 0.00 H new ATOM 0 HE ARG A 429 2.338 5.537 0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 429 4.976 4.517 2.460 1.00 0.00 H new ATOM 0 HH12 ARG A 429 6.230 4.933 1.287 1.00 0.00 H new ATOM 0 HH21 ARG A 429 3.985 6.045 -1.139 1.00 0.00 H new ATOM 0 HH22 ARG A 429 5.678 5.781 -0.710 1.00 0.00 H new ATOM 357 N LYS A 430 -0.883 7.469 -0.053 1.00 0.00 N ATOM 358 CA LYS A 430 -1.464 6.974 -1.335 1.00 0.00 C ATOM 359 C LYS A 430 -0.629 7.487 -2.517 1.00 0.00 C ATOM 360 O LYS A 430 -0.965 8.486 -3.126 1.00 0.00 O ATOM 361 CB LYS A 430 -2.876 7.556 -1.382 1.00 0.00 C ATOM 362 CG LYS A 430 -3.592 7.058 -2.638 1.00 0.00 C ATOM 363 CD LYS A 430 -4.932 7.780 -2.779 1.00 0.00 C ATOM 364 CE LYS A 430 -5.910 6.898 -3.560 1.00 0.00 C ATOM 365 NZ LYS A 430 -6.430 5.925 -2.559 1.00 0.00 N ATOM 0 H LYS A 430 -0.474 8.403 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 430 -1.473 5.886 -1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 430 -3.432 7.261 -0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 430 -2.832 8.645 -1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 430 -2.975 7.239 -3.518 1.00 0.00 H new ATOM 0 HG3 LYS A 430 -3.751 5.981 -2.576 1.00 0.00 H new ATOM 0 HD2 LYS A 430 -5.339 8.008 -1.794 1.00 0.00 H new ATOM 0 HD3 LYS A 430 -4.792 8.730 -3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 430 -6.717 7.490 -3.992 1.00 0.00 H new ATOM 0 HE3 LYS A 430 -5.411 6.388 -4.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 -6.413 4.967 -2.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 -5.834 5.951 -1.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 -7.407 6.176 -2.306 1.00 0.00 H new ATOM 379 N ASN A 431 0.458 6.819 -2.844 1.00 0.00 N ATOM 380 CA ASN A 431 1.303 7.289 -3.986 1.00 0.00 C ATOM 381 C ASN A 431 1.070 6.403 -5.214 1.00 0.00 C ATOM 382 O ASN A 431 0.364 5.416 -5.130 1.00 0.00 O ATOM 383 CB ASN A 431 2.756 7.171 -3.506 1.00 0.00 C ATOM 384 CG ASN A 431 3.298 8.561 -3.153 1.00 0.00 C ATOM 385 OD1 ASN A 431 2.592 9.368 -2.581 1.00 0.00 O ATOM 386 ND2 ASN A 431 4.528 8.883 -3.471 1.00 0.00 N ATOM 0 H ASN A 431 0.791 5.978 -2.373 1.00 0.00 H new ATOM 0 HA ASN A 431 1.060 8.311 -4.275 1.00 0.00 H new ATOM 0 HB2 ASN A 431 2.810 6.517 -2.635 1.00 0.00 H new ATOM 0 HB3 ASN A 431 3.370 6.717 -4.284 1.00 0.00 H new ATOM 0 HD21 ASN A 431 4.889 9.808 -3.238 1.00 0.00 H new ATOM 0 HD22 ASN A 431 5.124 8.209 -3.951 1.00 0.00 H new ATOM 393 N PRO A 432 1.665 6.778 -6.324 1.00 0.00 N ATOM 394 CA PRO A 432 1.495 5.983 -7.561 1.00 0.00 C ATOM 395 C PRO A 432 2.304 4.681 -7.485 1.00 0.00 C ATOM 396 O PRO A 432 1.848 3.651 -7.938 1.00 0.00 O ATOM 397 CB PRO A 432 2.035 6.898 -8.657 1.00 0.00 C ATOM 398 CG PRO A 432 2.996 7.813 -7.965 1.00 0.00 C ATOM 399 CD PRO A 432 2.532 7.951 -6.539 1.00 0.00 C ATOM 0 HA PRO A 432 0.461 5.684 -7.735 1.00 0.00 H new ATOM 0 HB2 PRO A 432 2.531 6.325 -9.440 1.00 0.00 H new ATOM 0 HB3 PRO A 432 1.231 7.459 -9.134 1.00 0.00 H new ATOM 0 HG2 PRO A 432 4.007 7.408 -8.003 1.00 0.00 H new ATOM 0 HG3 PRO A 432 3.023 8.786 -8.457 1.00 0.00 H new ATOM 0 HD2 PRO A 432 3.373 7.957 -5.846 1.00 0.00 H new ATOM 0 HD3 PRO A 432 1.987 8.882 -6.386 1.00 0.00 H new ATOM 407 N GLN A 433 3.487 4.705 -6.902 1.00 0.00 N ATOM 408 CA GLN A 433 4.284 3.448 -6.799 1.00 0.00 C ATOM 409 C GLN A 433 3.899 2.664 -5.534 1.00 0.00 C ATOM 410 O GLN A 433 4.098 1.466 -5.472 1.00 0.00 O ATOM 411 CB GLN A 433 5.778 3.852 -6.804 1.00 0.00 C ATOM 412 CG GLN A 433 6.198 4.546 -5.488 1.00 0.00 C ATOM 413 CD GLN A 433 6.360 3.518 -4.360 1.00 0.00 C ATOM 414 OE1 GLN A 433 5.843 3.714 -3.279 1.00 0.00 O ATOM 415 NE2 GLN A 433 7.052 2.428 -4.553 1.00 0.00 N ATOM 0 H GLN A 433 3.924 5.534 -6.500 1.00 0.00 H new ATOM 0 HA GLN A 433 4.082 2.784 -7.639 1.00 0.00 H new ATOM 0 HB2 GLN A 433 6.392 2.965 -6.957 1.00 0.00 H new ATOM 0 HB3 GLN A 433 5.969 4.521 -7.643 1.00 0.00 H new ATOM 0 HG2 GLN A 433 7.136 5.081 -5.637 1.00 0.00 H new ATOM 0 HG3 GLN A 433 5.450 5.287 -5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 433 7.490 2.255 -5.458 1.00 0.00 H new ATOM 0 HE22 GLN A 433 7.155 1.749 -3.799 1.00 0.00 H new ATOM 424 N HIS A 434 3.357 3.309 -4.510 1.00 0.00 N ATOM 425 CA HIS A 434 2.985 2.528 -3.283 1.00 0.00 C ATOM 426 C HIS A 434 1.917 1.496 -3.665 1.00 0.00 C ATOM 427 O HIS A 434 2.107 0.313 -3.450 1.00 0.00 O ATOM 428 CB HIS A 434 2.447 3.529 -2.243 1.00 0.00 C ATOM 429 CG HIS A 434 2.087 2.797 -0.976 1.00 0.00 C ATOM 430 ND1 HIS A 434 3.006 2.028 -0.267 1.00 0.00 N ATOM 431 CD2 HIS A 434 0.904 2.683 -0.295 1.00 0.00 C ATOM 432 CE1 HIS A 434 2.353 1.488 0.783 1.00 0.00 C ATOM 433 NE2 HIS A 434 1.078 1.858 0.800 1.00 0.00 N ATOM 0 H HIS A 434 3.164 4.310 -4.476 1.00 0.00 H new ATOM 0 HA HIS A 434 3.839 1.996 -2.864 1.00 0.00 H new ATOM 0 HB2 HIS A 434 3.198 4.291 -2.034 1.00 0.00 H new ATOM 0 HB3 HIS A 434 1.572 4.045 -2.638 1.00 0.00 H new ATOM 0 HD1 HIS A 434 3.991 1.897 -0.499 1.00 0.00 H new ATOM 0 HD2 HIS A 434 -0.023 3.164 -0.571 1.00 0.00 H new ATOM 0 HE1 HIS A 434 2.809 0.838 1.515 1.00 0.00 H new ATOM 441 N LYS A 435 0.786 1.914 -4.216 1.00 0.00 N ATOM 442 CA LYS A 435 -0.288 0.909 -4.584 1.00 0.00 C ATOM 443 C LYS A 435 0.280 -0.252 -5.415 1.00 0.00 C ATOM 444 O LYS A 435 -0.206 -1.367 -5.321 1.00 0.00 O ATOM 445 CB LYS A 435 -1.332 1.664 -5.428 1.00 0.00 C ATOM 446 CG LYS A 435 -2.452 2.177 -4.522 1.00 0.00 C ATOM 447 CD LYS A 435 -2.061 3.540 -3.945 1.00 0.00 C ATOM 448 CE LYS A 435 -1.461 3.351 -2.550 1.00 0.00 C ATOM 449 NZ LYS A 435 -2.634 3.276 -1.635 1.00 0.00 N ATOM 0 H LYS A 435 0.562 2.887 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 435 -0.717 0.483 -3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -0.860 2.498 -5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -1.743 1.004 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 435 -3.380 2.263 -5.087 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -2.634 1.468 -3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -1.340 4.030 -4.599 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -2.935 4.189 -3.892 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -0.861 2.443 -2.498 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -0.806 4.181 -2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -2.343 2.851 -0.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -3.003 4.233 -1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -3.376 2.691 -2.069 1.00 0.00 H new ATOM 463 N ILE A 436 1.296 -0.018 -6.224 1.00 0.00 N ATOM 464 CA ILE A 436 1.848 -1.162 -7.033 1.00 0.00 C ATOM 465 C ILE A 436 2.868 -1.948 -6.187 1.00 0.00 C ATOM 466 O ILE A 436 2.864 -3.163 -6.211 1.00 0.00 O ATOM 467 CB ILE A 436 2.420 -0.631 -8.408 1.00 0.00 C ATOM 468 CG1 ILE A 436 3.553 -1.554 -8.935 1.00 0.00 C ATOM 469 CG2 ILE A 436 2.918 0.822 -8.362 1.00 0.00 C ATOM 470 CD1 ILE A 436 4.904 -1.232 -8.264 1.00 0.00 C ATOM 0 H ILE A 436 1.754 0.884 -6.357 1.00 0.00 H new ATOM 0 HA ILE A 436 1.058 -1.866 -7.293 1.00 0.00 H new ATOM 0 HB ILE A 436 1.573 -0.650 -9.094 1.00 0.00 H new ATOM 0 HG12 ILE A 436 3.292 -2.595 -8.748 1.00 0.00 H new ATOM 0 HG13 ILE A 436 3.645 -1.438 -10.015 1.00 0.00 H new ATOM 0 HG21 ILE A 436 3.294 1.109 -9.344 1.00 0.00 H new ATOM 0 HG22 ILE A 436 2.095 1.480 -8.082 1.00 0.00 H new ATOM 0 HG23 ILE A 436 3.718 0.909 -7.627 1.00 0.00 H new ATOM 0 HD11 ILE A 436 5.673 -1.897 -8.657 1.00 0.00 H new ATOM 0 HD12 ILE A 436 5.177 -0.198 -8.474 1.00 0.00 H new ATOM 0 HD13 ILE A 436 4.818 -1.373 -7.187 1.00 0.00 H new ATOM 482 N GLU A 437 3.749 -1.296 -5.466 1.00 0.00 N ATOM 483 CA GLU A 437 4.754 -2.082 -4.652 1.00 0.00 C ATOM 484 C GLU A 437 4.065 -2.905 -3.546 1.00 0.00 C ATOM 485 O GLU A 437 4.427 -4.044 -3.321 1.00 0.00 O ATOM 486 CB GLU A 437 5.734 -1.066 -4.033 1.00 0.00 C ATOM 487 CG GLU A 437 6.983 -0.967 -4.913 1.00 0.00 C ATOM 488 CD GLU A 437 7.726 -2.304 -4.907 1.00 0.00 C ATOM 489 OE1 GLU A 437 7.813 -2.907 -3.849 1.00 0.00 O ATOM 490 OE2 GLU A 437 8.195 -2.705 -5.960 1.00 0.00 O ATOM 0 H GLU A 437 3.823 -0.281 -5.400 1.00 0.00 H new ATOM 0 HA GLU A 437 5.278 -2.792 -5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 437 5.257 -0.090 -3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 437 6.009 -1.376 -3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 437 6.701 -0.701 -5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 437 7.636 -0.175 -4.546 1.00 0.00 H new ATOM 497 N TYR A 438 3.089 -2.357 -2.841 1.00 0.00 N ATOM 498 CA TYR A 438 2.423 -3.145 -1.760 1.00 0.00 C ATOM 499 C TYR A 438 0.901 -3.180 -1.961 1.00 0.00 C ATOM 500 O TYR A 438 0.334 -2.310 -2.594 1.00 0.00 O ATOM 501 CB TYR A 438 2.779 -2.414 -0.470 1.00 0.00 C ATOM 502 CG TYR A 438 4.260 -2.531 -0.226 1.00 0.00 C ATOM 503 CD1 TYR A 438 4.833 -3.799 0.061 1.00 0.00 C ATOM 504 CD2 TYR A 438 5.084 -1.375 -0.291 1.00 0.00 C ATOM 505 CE1 TYR A 438 6.230 -3.910 0.285 1.00 0.00 C ATOM 506 CE2 TYR A 438 6.481 -1.486 -0.065 1.00 0.00 C ATOM 507 CZ TYR A 438 7.054 -2.755 0.222 1.00 0.00 C ATOM 508 OH TYR A 438 8.410 -2.863 0.436 1.00 0.00 O ATOM 0 H TYR A 438 2.735 -1.409 -2.972 1.00 0.00 H new ATOM 0 HA TYR A 438 2.752 -4.184 -1.751 1.00 0.00 H new ATOM 0 HB2 TYR A 438 2.492 -1.365 -0.542 1.00 0.00 H new ATOM 0 HB3 TYR A 438 2.226 -2.839 0.367 1.00 0.00 H new ATOM 0 HD1 TYR A 438 4.206 -4.677 0.109 1.00 0.00 H new ATOM 0 HD2 TYR A 438 4.647 -0.412 -0.512 1.00 0.00 H new ATOM 0 HE1 TYR A 438 6.667 -4.873 0.503 1.00 0.00 H new ATOM 0 HE2 TYR A 438 7.108 -0.608 -0.111 1.00 0.00 H new ATOM 0 HH TYR A 438 8.825 -1.979 0.355 1.00 0.00 H new ATOM 518 N ARG A 439 0.235 -4.192 -1.436 1.00 0.00 N ATOM 519 CA ARG A 439 -1.242 -4.284 -1.614 1.00 0.00 C ATOM 520 C ARG A 439 -1.987 -4.194 -0.285 1.00 0.00 C ATOM 521 O ARG A 439 -1.535 -4.681 0.734 1.00 0.00 O ATOM 522 CB ARG A 439 -1.514 -5.647 -2.277 1.00 0.00 C ATOM 523 CG ARG A 439 -1.060 -6.801 -1.376 1.00 0.00 C ATOM 524 CD ARG A 439 -1.839 -8.066 -1.753 1.00 0.00 C ATOM 525 NE ARG A 439 -1.436 -9.118 -0.752 1.00 0.00 N ATOM 526 CZ ARG A 439 -1.264 -10.387 -1.104 1.00 0.00 C ATOM 527 NH1 ARG A 439 -1.500 -10.806 -2.327 1.00 0.00 N ATOM 528 NH2 ARG A 439 -0.874 -11.259 -0.208 1.00 0.00 N ATOM 0 H ARG A 439 0.656 -4.949 -0.897 1.00 0.00 H new ATOM 0 HA ARG A 439 -1.597 -3.452 -2.223 1.00 0.00 H new ATOM 0 HB2 ARG A 439 -2.579 -5.745 -2.490 1.00 0.00 H new ATOM 0 HB3 ARG A 439 -0.992 -5.701 -3.232 1.00 0.00 H new ATOM 0 HG2 ARG A 439 0.011 -6.970 -1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 439 -1.232 -6.551 -0.329 1.00 0.00 H new ATOM 0 HD2 ARG A 439 -2.914 -7.887 -1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 439 -1.601 -8.382 -2.768 1.00 0.00 H new ATOM 0 HE ARG A 439 -1.292 -8.848 0.221 1.00 0.00 H new ATOM 0 HH11 ARG A 439 -1.825 -10.150 -3.037 1.00 0.00 H new ATOM 0 HH12 ARG A 439 -1.358 -11.787 -2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 439 -0.704 -10.962 0.753 1.00 0.00 H new ATOM 0 HH22 ARG A 439 -0.740 -12.235 -0.471 1.00 0.00 H new ATOM 542 N HIS A 440 -3.159 -3.615 -0.313 1.00 0.00 N ATOM 543 CA HIS A 440 -4.001 -3.536 0.906 1.00 0.00 C ATOM 544 C HIS A 440 -5.137 -4.527 0.626 1.00 0.00 C ATOM 545 O HIS A 440 -6.062 -4.199 -0.069 1.00 0.00 O ATOM 546 CB HIS A 440 -4.495 -2.070 1.003 1.00 0.00 C ATOM 547 CG HIS A 440 -3.321 -1.120 0.848 1.00 0.00 C ATOM 548 ND1 HIS A 440 -2.803 -0.779 -0.399 1.00 0.00 N ATOM 549 CD2 HIS A 440 -2.520 -0.480 1.766 1.00 0.00 C ATOM 550 CE1 HIS A 440 -1.735 0.010 -0.194 1.00 0.00 C ATOM 551 NE2 HIS A 440 -1.527 0.226 1.105 1.00 0.00 N ATOM 0 H HIS A 440 -3.570 -3.189 -1.144 1.00 0.00 H new ATOM 0 HA HIS A 440 -3.509 -3.782 1.847 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -5.237 -1.875 0.229 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -4.984 -1.904 1.963 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.646 -0.521 2.838 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -1.121 0.418 -0.983 1.00 0.00 H new ATOM 0 HE2 HIS A 440 -0.790 0.793 1.525 1.00 0.00 H new ATOM 559 N ASN A 441 -5.055 -5.735 1.173 1.00 0.00 N ATOM 560 CA ASN A 441 -6.120 -6.803 0.943 1.00 0.00 C ATOM 561 C ASN A 441 -5.601 -8.174 1.438 1.00 0.00 C ATOM 562 O ASN A 441 -6.170 -8.788 2.321 1.00 0.00 O ATOM 563 CB ASN A 441 -6.304 -6.941 -0.588 1.00 0.00 C ATOM 564 CG ASN A 441 -7.448 -6.084 -1.115 1.00 0.00 C ATOM 565 OD1 ASN A 441 -8.561 -6.153 -0.631 1.00 0.00 O ATOM 566 ND2 ASN A 441 -7.202 -5.260 -2.104 1.00 0.00 N ATOM 0 H ASN A 441 -4.288 -6.032 1.776 1.00 0.00 H new ATOM 0 HA ASN A 441 -7.037 -6.527 1.463 1.00 0.00 H new ATOM 0 HB2 ASN A 441 -5.379 -6.656 -1.090 1.00 0.00 H new ATOM 0 HB3 ASN A 441 -6.492 -7.986 -0.836 1.00 0.00 H new ATOM 0 HD21 ASN A 441 -7.947 -4.670 -2.474 1.00 0.00 H new ATOM 0 HD22 ASN A 441 -6.265 -5.209 -2.504 1.00 0.00 H new ATOM 573 N THR A 442 -4.516 -8.650 0.827 1.00 0.00 N ATOM 574 CA THR A 442 -3.932 -9.976 1.193 1.00 0.00 C ATOM 575 C THR A 442 -5.050 -11.039 1.294 1.00 0.00 C ATOM 576 O THR A 442 -5.303 -11.574 2.354 1.00 0.00 O ATOM 577 CB THR A 442 -3.263 -9.745 2.550 1.00 0.00 C ATOM 578 OG1 THR A 442 -2.417 -8.602 2.470 1.00 0.00 O ATOM 579 CG2 THR A 442 -2.427 -10.969 2.929 1.00 0.00 C ATOM 0 H THR A 442 -4.017 -8.159 0.085 1.00 0.00 H new ATOM 0 HA THR A 442 -3.222 -10.344 0.452 1.00 0.00 H new ATOM 0 HB THR A 442 -4.030 -9.583 3.308 1.00 0.00 H new ATOM 0 HG1 THR A 442 -1.989 -8.451 3.338 1.00 0.00 H new ATOM 0 HG21 THR A 442 -1.952 -10.800 3.896 1.00 0.00 H new ATOM 0 HG22 THR A 442 -3.072 -11.846 2.989 1.00 0.00 H new ATOM 0 HG23 THR A 442 -1.660 -11.134 2.172 1.00 0.00 H new ATOM 587 N LEU A 443 -5.730 -11.335 0.200 1.00 0.00 N ATOM 588 CA LEU A 443 -6.834 -12.348 0.254 1.00 0.00 C ATOM 589 C LEU A 443 -6.476 -13.576 -0.601 1.00 0.00 C ATOM 590 O LEU A 443 -5.643 -13.485 -1.481 1.00 0.00 O ATOM 591 CB LEU A 443 -8.064 -11.633 -0.318 1.00 0.00 C ATOM 592 CG LEU A 443 -8.953 -11.141 0.830 1.00 0.00 C ATOM 593 CD1 LEU A 443 -8.619 -9.682 1.164 1.00 0.00 C ATOM 594 CD2 LEU A 443 -10.426 -11.246 0.420 1.00 0.00 C ATOM 0 H LEU A 443 -5.566 -10.920 -0.717 1.00 0.00 H new ATOM 0 HA LEU A 443 -7.009 -12.709 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 443 -7.753 -10.791 -0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 443 -8.625 -12.311 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 443 -8.773 -11.760 1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 443 -9.255 -9.341 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 443 -7.574 -9.607 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 443 -8.790 -9.059 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 443 -11.057 -10.896 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 443 -10.602 -10.632 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 443 -10.668 -12.285 0.194 1.00 0.00 H new ATOM 606 N PRO A 444 -7.112 -14.697 -0.319 1.00 0.00 N ATOM 607 CA PRO A 444 -6.825 -15.931 -1.090 1.00 0.00 C ATOM 608 C PRO A 444 -7.465 -15.857 -2.483 1.00 0.00 C ATOM 609 O PRO A 444 -8.658 -15.652 -2.609 1.00 0.00 O ATOM 610 CB PRO A 444 -7.471 -17.037 -0.259 1.00 0.00 C ATOM 611 CG PRO A 444 -8.550 -16.362 0.523 1.00 0.00 C ATOM 612 CD PRO A 444 -8.134 -14.924 0.717 1.00 0.00 C ATOM 0 HA PRO A 444 -5.759 -16.092 -1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 444 -7.879 -17.821 -0.897 1.00 0.00 H new ATOM 0 HB3 PRO A 444 -6.743 -17.509 0.401 1.00 0.00 H new ATOM 0 HG2 PRO A 444 -9.501 -16.418 -0.007 1.00 0.00 H new ATOM 0 HG3 PRO A 444 -8.692 -16.854 1.485 1.00 0.00 H new ATOM 0 HD2 PRO A 444 -8.979 -14.246 0.597 1.00 0.00 H new ATOM 0 HD3 PRO A 444 -7.731 -14.758 1.716 1.00 0.00 H new ATOM 620 N VAL A 445 -6.687 -16.029 -3.532 1.00 0.00 N ATOM 621 CA VAL A 445 -7.268 -15.972 -4.908 1.00 0.00 C ATOM 622 C VAL A 445 -6.485 -16.878 -5.848 1.00 0.00 C ATOM 623 O VAL A 445 -6.128 -16.486 -6.946 1.00 0.00 O ATOM 624 CB VAL A 445 -7.156 -14.514 -5.335 1.00 0.00 C ATOM 625 CG1 VAL A 445 -5.691 -14.059 -5.333 1.00 0.00 C ATOM 626 CG2 VAL A 445 -7.758 -14.328 -6.732 1.00 0.00 C ATOM 0 H VAL A 445 -5.683 -16.205 -3.491 1.00 0.00 H new ATOM 0 HA VAL A 445 -8.302 -16.315 -4.932 1.00 0.00 H new ATOM 0 HB VAL A 445 -7.709 -13.903 -4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -5.634 -13.015 -5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -5.279 -14.164 -4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -5.118 -14.674 -6.027 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -7.673 -13.283 -7.028 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -7.221 -14.952 -7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -8.809 -14.617 -6.717 1.00 0.00 H new ATOM 636 N ARG A 446 -6.222 -18.090 -5.437 1.00 0.00 N ATOM 637 CA ARG A 446 -5.474 -19.006 -6.337 1.00 0.00 C ATOM 638 C ARG A 446 -5.492 -20.463 -5.826 1.00 0.00 C ATOM 639 O ARG A 446 -5.740 -21.376 -6.591 1.00 0.00 O ATOM 640 CB ARG A 446 -4.034 -18.460 -6.432 1.00 0.00 C ATOM 641 CG ARG A 446 -3.423 -18.253 -5.040 1.00 0.00 C ATOM 642 CD ARG A 446 -2.346 -17.168 -5.113 1.00 0.00 C ATOM 643 NE ARG A 446 -1.131 -17.866 -5.632 1.00 0.00 N ATOM 644 CZ ARG A 446 -0.409 -18.659 -4.856 1.00 0.00 C ATOM 645 NH1 ARG A 446 -0.730 -18.866 -3.599 1.00 0.00 N ATOM 646 NH2 ARG A 446 0.649 -19.252 -5.345 1.00 0.00 N ATOM 0 H ARG A 446 -6.489 -18.478 -4.532 1.00 0.00 H new ATOM 0 HA ARG A 446 -5.944 -19.036 -7.320 1.00 0.00 H new ATOM 0 HB2 ARG A 446 -3.417 -19.154 -7.003 1.00 0.00 H new ATOM 0 HB3 ARG A 446 -4.036 -17.515 -6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 446 -4.198 -17.964 -4.330 1.00 0.00 H new ATOM 0 HG3 ARG A 446 -2.991 -19.186 -4.678 1.00 0.00 H new ATOM 0 HD2 ARG A 446 -2.648 -16.356 -5.774 1.00 0.00 H new ATOM 0 HD3 ARG A 446 -2.161 -16.729 -4.133 1.00 0.00 H new ATOM 0 HE ARG A 446 -0.852 -17.729 -6.604 1.00 0.00 H new ATOM 0 HH11 ARG A 446 -1.552 -18.411 -3.201 1.00 0.00 H new ATOM 0 HH12 ARG A 446 -0.158 -19.482 -3.021 1.00 0.00 H new ATOM 0 HH21 ARG A 446 0.913 -19.102 -6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 446 1.210 -19.864 -4.753 1.00 0.00 H new ATOM 660 N ASN A 447 -5.244 -20.699 -4.548 1.00 0.00 N ATOM 661 CA ASN A 447 -5.265 -22.103 -4.032 1.00 0.00 C ATOM 662 C ASN A 447 -6.494 -22.308 -3.132 1.00 0.00 C ATOM 663 O ASN A 447 -6.395 -22.239 -1.921 1.00 0.00 O ATOM 664 CB ASN A 447 -3.974 -22.265 -3.226 1.00 0.00 C ATOM 665 CG ASN A 447 -3.588 -23.749 -3.168 1.00 0.00 C ATOM 666 OD1 ASN A 447 -3.473 -24.312 -2.098 1.00 0.00 O ATOM 667 ND2 ASN A 447 -3.381 -24.415 -4.278 1.00 0.00 N ATOM 0 H ASN A 447 -5.031 -19.983 -3.853 1.00 0.00 H new ATOM 0 HA ASN A 447 -5.326 -22.836 -4.836 1.00 0.00 H new ATOM 0 HB2 ASN A 447 -3.172 -21.688 -3.685 1.00 0.00 H new ATOM 0 HB3 ASN A 447 -4.111 -21.875 -2.218 1.00 0.00 H new ATOM 0 HD21 ASN A 447 -3.125 -25.402 -4.241 1.00 0.00 H new ATOM 0 HD22 ASN A 447 -3.476 -23.947 -5.179 1.00 0.00 H new ATOM 674 N VAL A 448 -7.650 -22.563 -3.711 1.00 0.00 N ATOM 675 CA VAL A 448 -8.871 -22.773 -2.882 1.00 0.00 C ATOM 676 C VAL A 448 -9.495 -24.137 -3.192 1.00 0.00 C ATOM 677 O VAL A 448 -10.550 -24.223 -3.792 1.00 0.00 O ATOM 678 CB VAL A 448 -9.833 -21.640 -3.252 1.00 0.00 C ATOM 679 CG1 VAL A 448 -9.203 -20.294 -2.886 1.00 0.00 C ATOM 680 CG2 VAL A 448 -10.150 -21.671 -4.755 1.00 0.00 C ATOM 0 H VAL A 448 -7.793 -22.633 -4.719 1.00 0.00 H new ATOM 0 HA VAL A 448 -8.640 -22.762 -1.817 1.00 0.00 H new ATOM 0 HB VAL A 448 -10.762 -21.773 -2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 448 -9.888 -19.488 -3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 448 -9.003 -20.265 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -8.268 -20.169 -3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 448 -10.835 -20.859 -4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 448 -9.228 -21.552 -5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 448 -10.613 -22.625 -5.010 1.00 0.00 H new ATOM 690 N LEU A 449 -8.856 -25.211 -2.775 1.00 0.00 N ATOM 691 CA LEU A 449 -9.413 -26.577 -3.033 1.00 0.00 C ATOM 692 C LEU A 449 -9.615 -26.804 -4.539 1.00 0.00 C ATOM 693 O LEU A 449 -10.587 -27.407 -4.951 1.00 0.00 O ATOM 694 CB LEU A 449 -10.757 -26.615 -2.296 1.00 0.00 C ATOM 695 CG LEU A 449 -11.056 -28.041 -1.835 1.00 0.00 C ATOM 696 CD1 LEU A 449 -11.814 -27.995 -0.507 1.00 0.00 C ATOM 697 CD2 LEU A 449 -11.916 -28.744 -2.888 1.00 0.00 C ATOM 0 H LEU A 449 -7.972 -25.196 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 449 -8.739 -27.360 -2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 449 -10.730 -25.944 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 449 -11.552 -26.261 -2.952 1.00 0.00 H new ATOM 0 HG LEU A 449 -10.122 -28.587 -1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 449 -12.029 -29.011 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 449 -11.205 -27.490 0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 449 -12.749 -27.451 -0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 449 -12.131 -29.762 -2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 449 -12.851 -28.199 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 449 -11.379 -28.773 -3.836 1.00 0.00 H new ATOM 709 N ASP A 450 -8.706 -26.328 -5.373 1.00 0.00 N ATOM 710 CA ASP A 450 -8.852 -26.522 -6.854 1.00 0.00 C ATOM 711 C ASP A 450 -10.244 -26.068 -7.332 1.00 0.00 C ATOM 712 O ASP A 450 -11.173 -26.852 -7.366 1.00 0.00 O ATOM 713 CB ASP A 450 -8.669 -28.023 -7.084 1.00 0.00 C ATOM 714 CG ASP A 450 -7.205 -28.402 -6.849 1.00 0.00 C ATOM 715 OD1 ASP A 450 -6.442 -28.357 -7.800 1.00 0.00 O ATOM 716 OD2 ASP A 450 -6.872 -28.731 -5.722 1.00 0.00 O ATOM 0 H ASP A 450 -7.872 -25.815 -5.087 1.00 0.00 H new ATOM 0 HA ASP A 450 -8.125 -25.932 -7.411 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -9.314 -28.586 -6.409 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -8.965 -28.284 -8.100 1.00 0.00 H new ATOM 721 N GLU A 451 -10.397 -24.812 -7.700 1.00 0.00 N ATOM 722 CA GLU A 451 -11.729 -24.327 -8.170 1.00 0.00 C ATOM 723 C GLU A 451 -11.646 -23.892 -9.636 1.00 0.00 C ATOM 724 O GLU A 451 -10.657 -23.275 -9.995 1.00 0.00 O ATOM 725 CB GLU A 451 -12.057 -23.133 -7.273 1.00 0.00 C ATOM 726 CG GLU A 451 -12.800 -23.619 -6.027 1.00 0.00 C ATOM 727 CD GLU A 451 -14.275 -23.840 -6.365 1.00 0.00 C ATOM 728 OE1 GLU A 451 -14.544 -24.559 -7.314 1.00 0.00 O ATOM 729 OE2 GLU A 451 -15.112 -23.286 -5.671 1.00 0.00 O ATOM 730 OXT GLU A 451 -12.574 -24.183 -10.373 1.00 0.00 O ATOM 0 H GLU A 451 -9.657 -24.110 -7.693 1.00 0.00 H new ATOM 0 HA GLU A 451 -12.494 -25.101 -8.112 1.00 0.00 H new ATOM 0 HB2 GLU A 451 -11.140 -22.618 -6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 451 -12.669 -22.413 -7.817 1.00 0.00 H new ATOM 0 HG2 GLU A 451 -12.356 -24.546 -5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 451 -12.706 -22.886 -5.226 1.00 0.00 H new