USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 628 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 456 GLN : amide:sc= 0.456 K(o=1.1,f=-0.038) USER MOD Set 1.2: A 460 GLN : amide:sc= 0.65 K(o=1.1,f=-0.038) USER MOD Set 2.1: A 451 ASN : amide:sc= 2.08 K(o=2.7,f=-4.4!) USER MOD Set 2.2: A 454 SER OG : rot -60:sc= 0.589 USER MOD Set 3.1: A 410 GLN : amide:sc= 0 K(o=0,f=0.81) USER MOD Set 3.2: A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 393 SER OG : rot 180:sc= 0 USER MOD Single : A 394 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 395 LYS NZ :NH3+ -177:sc= 0.221 (180deg=0.195) USER MOD Single : A 402 ASN : amide:sc= -0.0513 K(o=-0.051,f=-3.3!) USER MOD Single : A 406 TYR OH : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HD1:sc= -0.073 X(o=-0.073,f=-0.029) USER MOD Single : A 415 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 419 GLN : amide:sc= 0.801 K(o=0.8,f=0) USER MOD Single : A 420 MET CE :methyl -174:sc= -0.166 (180deg=-0.261) USER MOD Single : A 422 MET CE :methyl -160:sc= 0 (180deg=-0.686) USER MOD Single : A 426 ASN : amide:sc= 0.854 K(o=0.85,f=-0.44) USER MOD Single : A 429 SER OG : rot 159:sc= 1.1 USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 441 SER OG : rot 180:sc= 0.285 USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 448 SER OG : rot 160:sc= 0 USER MOD Single : A 449 TYR OH : rot -166:sc= 0.393 USER MOD Single : A 461 SER OG : rot 180:sc= 0 USER MOD Single : A 462 MET CE :methyl -171:sc= -0.313 (180deg=-0.773) USER MOD Single : A 463 ASN : amide:sc= 0.848 K(o=0.85,f=-5.5!) USER MOD Single : A 466 GLN : amide:sc= 0.897 K(o=0.9,f=-0.19) USER MOD Single : A 469 MET CE :methyl -172:sc= 0 (180deg=-0.0708) USER MOD Single : A 470 LYS NZ :NH3+ -151:sc= 0.796 (180deg=0.321) USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 GLN : amide:sc= -0.132 K(o=-0.13,f=-0.83) USER MOD Single : A 477 LYS NZ :NH3+ 140:sc= 0.0758 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 172 N ALA A 390 -5.189 6.975 -9.628 1.00 0.00 N ATOM 173 CA ALA A 390 -4.814 6.348 -8.365 1.00 0.00 C ATOM 174 C ALA A 390 -3.299 6.126 -8.177 1.00 0.00 C ATOM 175 O ALA A 390 -2.824 6.144 -7.041 1.00 0.00 O ATOM 176 CB ALA A 390 -5.596 5.035 -8.327 1.00 0.00 C ATOM 0 HA ALA A 390 -5.061 7.010 -7.535 1.00 0.00 H new ATOM 0 HB1 ALA A 390 -5.368 4.502 -7.404 1.00 0.00 H new ATOM 0 HB2 ALA A 390 -6.664 5.247 -8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 390 -5.314 4.419 -9.181 1.00 0.00 H new ATOM 182 N ALA A 391 -2.538 5.936 -9.259 1.00 0.00 N ATOM 183 CA ALA A 391 -1.101 5.648 -9.209 1.00 0.00 C ATOM 184 C ALA A 391 -0.261 6.888 -8.878 1.00 0.00 C ATOM 185 O ALA A 391 -0.297 7.900 -9.582 1.00 0.00 O ATOM 186 CB ALA A 391 -0.689 4.968 -10.522 1.00 0.00 C ATOM 0 H ALA A 391 -2.908 5.979 -10.208 1.00 0.00 H new ATOM 0 HA ALA A 391 -0.901 4.962 -8.386 1.00 0.00 H new ATOM 0 HB1 ALA A 391 0.378 4.748 -10.499 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -1.248 4.040 -10.642 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -0.904 5.632 -11.359 1.00 0.00 H new ATOM 192 N GLY A 392 0.480 6.790 -7.768 1.00 0.00 N ATOM 193 CA GLY A 392 1.238 7.886 -7.163 1.00 0.00 C ATOM 194 C GLY A 392 0.383 8.769 -6.252 1.00 0.00 C ATOM 195 O GLY A 392 0.886 9.763 -5.732 1.00 0.00 O ATOM 0 H GLY A 392 0.570 5.915 -7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 392 2.067 7.474 -6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 392 1.672 8.500 -7.952 1.00 0.00 H new ATOM 199 N SER A 393 -0.897 8.438 -6.050 1.00 0.00 N ATOM 200 CA SER A 393 -1.809 9.249 -5.240 1.00 0.00 C ATOM 201 C SER A 393 -1.528 9.086 -3.739 1.00 0.00 C ATOM 202 O SER A 393 -1.551 7.981 -3.186 1.00 0.00 O ATOM 203 CB SER A 393 -3.270 8.930 -5.567 1.00 0.00 C ATOM 204 OG SER A 393 -4.132 9.765 -4.805 1.00 0.00 O ATOM 0 H SER A 393 -1.328 7.601 -6.443 1.00 0.00 H new ATOM 0 HA SER A 393 -1.630 10.294 -5.494 1.00 0.00 H new ATOM 0 HB2 SER A 393 -3.454 9.078 -6.631 1.00 0.00 H new ATOM 0 HB3 SER A 393 -3.480 7.883 -5.350 1.00 0.00 H new ATOM 0 HG SER A 393 -5.065 9.556 -5.021 1.00 0.00 H new ATOM 210 N GLN A 394 -1.276 10.217 -3.076 1.00 0.00 N ATOM 211 CA GLN A 394 -0.996 10.312 -1.643 1.00 0.00 C ATOM 212 C GLN A 394 -2.286 10.238 -0.797 1.00 0.00 C ATOM 213 O GLN A 394 -2.218 10.309 0.431 1.00 0.00 O ATOM 214 CB GLN A 394 -0.251 11.638 -1.381 1.00 0.00 C ATOM 215 CG GLN A 394 1.094 11.773 -2.124 1.00 0.00 C ATOM 216 CD GLN A 394 1.601 13.218 -2.106 1.00 0.00 C ATOM 217 OE1 GLN A 394 1.422 13.977 -3.053 1.00 0.00 O ATOM 218 NE2 GLN A 394 2.230 13.667 -1.042 1.00 0.00 N ATOM 0 H GLN A 394 -1.261 11.125 -3.540 1.00 0.00 H new ATOM 0 HA GLN A 394 -0.378 9.465 -1.346 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -0.897 12.467 -1.671 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -0.071 11.734 -0.310 1.00 0.00 H new ATOM 0 HG2 GLN A 394 1.834 11.121 -1.661 1.00 0.00 H new ATOM 0 HG3 GLN A 394 0.977 11.440 -3.155 1.00 0.00 H new ATOM 0 HE21 GLN A 394 2.388 13.050 -0.245 1.00 0.00 H new ATOM 0 HE22 GLN A 394 2.560 14.632 -1.014 1.00 0.00 H new ATOM 227 N LYS A 395 -3.469 10.116 -1.422 1.00 0.00 N ATOM 228 CA LYS A 395 -4.748 10.087 -0.711 1.00 0.00 C ATOM 229 C LYS A 395 -4.882 8.821 0.146 1.00 0.00 C ATOM 230 O LYS A 395 -4.698 7.707 -0.342 1.00 0.00 O ATOM 231 CB LYS A 395 -5.916 10.222 -1.711 1.00 0.00 C ATOM 232 CG LYS A 395 -7.262 10.187 -0.965 1.00 0.00 C ATOM 233 CD LYS A 395 -8.491 10.415 -1.849 1.00 0.00 C ATOM 234 CE LYS A 395 -9.759 10.584 -0.991 1.00 0.00 C ATOM 235 NZ LYS A 395 -10.016 9.433 -0.077 1.00 0.00 N ATOM 0 H LYS A 395 -3.560 10.035 -2.435 1.00 0.00 H new ATOM 0 HA LYS A 395 -4.783 10.937 -0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -5.823 11.156 -2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -5.875 9.413 -2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -7.362 9.221 -0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -7.248 10.946 -0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -8.342 11.302 -2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -8.616 9.573 -2.529 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -9.669 11.495 -0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -10.618 10.715 -1.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -10.909 9.587 0.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -10.082 8.556 -0.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -9.236 9.352 0.607 1.00 0.00 H new ATOM 249 N GLU A 396 -5.290 8.987 1.400 1.00 0.00 N ATOM 250 CA GLU A 396 -5.603 7.886 2.307 1.00 0.00 C ATOM 251 C GLU A 396 -7.099 7.529 2.211 1.00 0.00 C ATOM 252 O GLU A 396 -7.954 8.405 2.025 1.00 0.00 O ATOM 253 CB GLU A 396 -5.196 8.269 3.738 1.00 0.00 C ATOM 254 CG GLU A 396 -3.725 8.714 3.851 1.00 0.00 C ATOM 255 CD GLU A 396 -3.359 9.029 5.311 1.00 0.00 C ATOM 256 OE1 GLU A 396 -3.309 8.098 6.148 1.00 0.00 O ATOM 257 OE2 GLU A 396 -3.137 10.220 5.633 1.00 0.00 O ATOM 0 H GLU A 396 -5.415 9.907 1.823 1.00 0.00 H new ATOM 0 HA GLU A 396 -5.038 6.999 2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 396 -5.841 9.075 4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -5.363 7.417 4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -3.073 7.929 3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 396 -3.559 9.595 3.232 1.00 0.00 H new ATOM 264 N GLY A 397 -7.423 6.238 2.330 1.00 0.00 N ATOM 265 CA GLY A 397 -8.807 5.740 2.412 1.00 0.00 C ATOM 266 C GLY A 397 -9.416 5.888 3.818 1.00 0.00 C ATOM 267 O GLY A 397 -8.697 6.243 4.760 1.00 0.00 O ATOM 0 H GLY A 397 -6.724 5.496 2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -9.425 6.281 1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -8.827 4.690 2.122 1.00 0.00 H new ATOM 271 N PRO A 398 -10.726 5.605 3.979 1.00 0.00 N ATOM 272 CA PRO A 398 -11.395 5.622 5.279 1.00 0.00 C ATOM 273 C PRO A 398 -10.929 4.455 6.168 1.00 0.00 C ATOM 274 O PRO A 398 -10.268 3.526 5.701 1.00 0.00 O ATOM 275 CB PRO A 398 -12.894 5.571 4.959 1.00 0.00 C ATOM 276 CG PRO A 398 -12.960 4.814 3.633 1.00 0.00 C ATOM 277 CD PRO A 398 -11.662 5.215 2.927 1.00 0.00 C ATOM 0 HA PRO A 398 -11.154 6.514 5.857 1.00 0.00 H new ATOM 0 HB2 PRO A 398 -13.452 5.057 5.741 1.00 0.00 H new ATOM 0 HB3 PRO A 398 -13.318 6.571 4.870 1.00 0.00 H new ATOM 0 HG2 PRO A 398 -13.016 3.737 3.788 1.00 0.00 H new ATOM 0 HG3 PRO A 398 -13.837 5.098 3.052 1.00 0.00 H new ATOM 0 HD2 PRO A 398 -11.265 4.385 2.342 1.00 0.00 H new ATOM 0 HD3 PRO A 398 -11.835 6.039 2.235 1.00 0.00 H new ATOM 285 N GLU A 399 -11.267 4.510 7.462 1.00 0.00 N ATOM 286 CA GLU A 399 -10.837 3.531 8.469 1.00 0.00 C ATOM 287 C GLU A 399 -11.249 2.097 8.085 1.00 0.00 C ATOM 288 O GLU A 399 -12.429 1.805 7.872 1.00 0.00 O ATOM 289 CB GLU A 399 -11.406 3.918 9.847 1.00 0.00 C ATOM 290 CG GLU A 399 -10.813 3.073 10.986 1.00 0.00 C ATOM 291 CD GLU A 399 -11.484 3.400 12.329 1.00 0.00 C ATOM 292 OE1 GLU A 399 -11.257 4.508 12.872 1.00 0.00 O ATOM 293 OE2 GLU A 399 -12.247 2.550 12.847 1.00 0.00 O ATOM 0 H GLU A 399 -11.857 5.248 7.846 1.00 0.00 H new ATOM 0 HA GLU A 399 -9.748 3.546 8.516 1.00 0.00 H new ATOM 0 HB2 GLU A 399 -11.204 4.972 10.037 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -12.489 3.798 9.836 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -10.941 2.014 10.761 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -9.741 3.256 11.058 1.00 0.00 H new ATOM 300 N GLY A 400 -10.260 1.200 7.991 1.00 0.00 N ATOM 301 CA GLY A 400 -10.448 -0.210 7.626 1.00 0.00 C ATOM 302 C GLY A 400 -10.440 -0.477 6.116 1.00 0.00 C ATOM 303 O GLY A 400 -10.423 -1.637 5.714 1.00 0.00 O ATOM 0 H GLY A 400 -9.285 1.439 8.171 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -9.660 -0.802 8.092 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -11.395 -0.557 8.040 1.00 0.00 H new ATOM 307 N ALA A 401 -10.426 0.570 5.281 1.00 0.00 N ATOM 308 CA ALA A 401 -10.372 0.488 3.814 1.00 0.00 C ATOM 309 C ALA A 401 -8.971 0.791 3.244 1.00 0.00 C ATOM 310 O ALA A 401 -8.779 0.836 2.030 1.00 0.00 O ATOM 311 CB ALA A 401 -11.425 1.445 3.250 1.00 0.00 C ATOM 0 H ALA A 401 -10.453 1.532 5.619 1.00 0.00 H new ATOM 0 HA ALA A 401 -10.586 -0.537 3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 401 -11.407 1.405 2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 401 -12.412 1.152 3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 401 -11.207 2.461 3.579 1.00 0.00 H new ATOM 317 N ASN A 402 -7.995 1.016 4.121 1.00 0.00 N ATOM 318 CA ASN A 402 -6.652 1.501 3.822 1.00 0.00 C ATOM 319 C ASN A 402 -5.583 0.482 4.256 1.00 0.00 C ATOM 320 O ASN A 402 -5.567 0.021 5.399 1.00 0.00 O ATOM 321 CB ASN A 402 -6.475 2.899 4.452 1.00 0.00 C ATOM 322 CG ASN A 402 -6.845 3.051 5.936 1.00 0.00 C ATOM 323 OD1 ASN A 402 -7.327 2.151 6.617 1.00 0.00 O ATOM 324 ND2 ASN A 402 -6.627 4.232 6.482 1.00 0.00 N ATOM 0 H ASN A 402 -8.130 0.854 5.119 1.00 0.00 H new ATOM 0 HA ASN A 402 -6.518 1.608 2.746 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -5.433 3.195 4.331 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -7.075 3.606 3.880 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -6.859 4.391 7.462 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -6.227 4.986 5.924 1.00 0.00 H new ATOM 331 N LEU A 403 -4.702 0.109 3.322 1.00 0.00 N ATOM 332 CA LEU A 403 -3.731 -0.983 3.451 1.00 0.00 C ATOM 333 C LEU A 403 -2.295 -0.492 3.332 1.00 0.00 C ATOM 334 O LEU A 403 -1.980 0.325 2.464 1.00 0.00 O ATOM 335 CB LEU A 403 -3.940 -2.039 2.347 1.00 0.00 C ATOM 336 CG LEU A 403 -5.333 -2.675 2.275 1.00 0.00 C ATOM 337 CD1 LEU A 403 -5.336 -3.742 1.180 1.00 0.00 C ATOM 338 CD2 LEU A 403 -5.700 -3.310 3.615 1.00 0.00 C ATOM 0 H LEU A 403 -4.643 0.579 2.419 1.00 0.00 H new ATOM 0 HA LEU A 403 -3.895 -1.411 4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 403 -3.725 -1.576 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 403 -3.207 -2.833 2.489 1.00 0.00 H new ATOM 0 HG LEU A 403 -6.068 -1.904 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 403 -6.323 -4.200 1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 403 -5.092 -3.282 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 403 -4.595 -4.506 1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 403 -6.692 -3.757 3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 403 -4.971 -4.081 3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 403 -5.699 -2.546 4.392 1.00 0.00 H new ATOM 350 N PHE A 404 -1.443 -1.099 4.153 1.00 0.00 N ATOM 351 CA PHE A 404 0.010 -1.024 4.128 1.00 0.00 C ATOM 352 C PHE A 404 0.557 -2.378 3.649 1.00 0.00 C ATOM 353 O PHE A 404 0.170 -3.434 4.155 1.00 0.00 O ATOM 354 CB PHE A 404 0.492 -0.678 5.541 1.00 0.00 C ATOM 355 CG PHE A 404 1.967 -0.919 5.786 1.00 0.00 C ATOM 356 CD1 PHE A 404 2.924 0.033 5.389 1.00 0.00 C ATOM 357 CD2 PHE A 404 2.383 -2.095 6.443 1.00 0.00 C ATOM 358 CE1 PHE A 404 4.282 -0.166 5.693 1.00 0.00 C ATOM 359 CE2 PHE A 404 3.741 -2.296 6.738 1.00 0.00 C ATOM 360 CZ PHE A 404 4.688 -1.322 6.380 1.00 0.00 C ATOM 0 H PHE A 404 -1.777 -1.699 4.907 1.00 0.00 H new ATOM 0 HA PHE A 404 0.367 -0.254 3.444 1.00 0.00 H new ATOM 0 HB2 PHE A 404 0.272 0.371 5.738 1.00 0.00 H new ATOM 0 HB3 PHE A 404 -0.082 -1.264 6.259 1.00 0.00 H new ATOM 0 HD1 PHE A 404 2.615 0.917 4.851 1.00 0.00 H new ATOM 0 HD2 PHE A 404 1.655 -2.843 6.720 1.00 0.00 H new ATOM 0 HE1 PHE A 404 5.014 0.571 5.398 1.00 0.00 H new ATOM 0 HE2 PHE A 404 4.057 -3.199 7.240 1.00 0.00 H new ATOM 0 HZ PHE A 404 5.729 -1.462 6.633 1.00 0.00 H new ATOM 370 N ILE A 405 1.448 -2.336 2.661 1.00 0.00 N ATOM 371 CA ILE A 405 2.111 -3.485 2.038 1.00 0.00 C ATOM 372 C ILE A 405 3.618 -3.369 2.307 1.00 0.00 C ATOM 373 O ILE A 405 4.203 -2.302 2.125 1.00 0.00 O ATOM 374 CB ILE A 405 1.825 -3.544 0.511 1.00 0.00 C ATOM 375 CG1 ILE A 405 0.336 -3.692 0.108 1.00 0.00 C ATOM 376 CG2 ILE A 405 2.571 -4.750 -0.099 1.00 0.00 C ATOM 377 CD1 ILE A 405 -0.558 -2.459 0.291 1.00 0.00 C ATOM 0 H ILE A 405 1.745 -1.451 2.249 1.00 0.00 H new ATOM 0 HA ILE A 405 1.723 -4.409 2.467 1.00 0.00 H new ATOM 0 HB ILE A 405 2.163 -2.579 0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 405 0.296 -3.987 -0.940 1.00 0.00 H new ATOM 0 HG13 ILE A 405 -0.092 -4.511 0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 405 2.374 -4.796 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 405 3.642 -4.638 0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 405 2.224 -5.669 0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 405 -1.573 -2.695 -0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 405 -0.566 -2.168 1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 405 -0.171 -1.637 -0.311 1.00 0.00 H new ATOM 389 N TYR A 406 4.249 -4.473 2.694 1.00 0.00 N ATOM 390 CA TYR A 406 5.685 -4.604 2.956 1.00 0.00 C ATOM 391 C TYR A 406 6.265 -5.846 2.244 1.00 0.00 C ATOM 392 O TYR A 406 5.522 -6.721 1.790 1.00 0.00 O ATOM 393 CB TYR A 406 5.910 -4.627 4.480 1.00 0.00 C ATOM 394 CG TYR A 406 7.326 -4.285 4.898 1.00 0.00 C ATOM 395 CD1 TYR A 406 7.689 -2.941 5.073 1.00 0.00 C ATOM 396 CD2 TYR A 406 8.295 -5.290 5.066 1.00 0.00 C ATOM 397 CE1 TYR A 406 9.018 -2.590 5.361 1.00 0.00 C ATOM 398 CE2 TYR A 406 9.635 -4.952 5.332 1.00 0.00 C ATOM 399 CZ TYR A 406 10.005 -3.595 5.465 1.00 0.00 C ATOM 400 OH TYR A 406 11.305 -3.252 5.686 1.00 0.00 O ATOM 0 H TYR A 406 3.749 -5.349 2.842 1.00 0.00 H new ATOM 0 HA TYR A 406 6.222 -3.749 2.546 1.00 0.00 H new ATOM 0 HB2 TYR A 406 5.223 -3.923 4.949 1.00 0.00 H new ATOM 0 HB3 TYR A 406 5.659 -5.618 4.859 1.00 0.00 H new ATOM 0 HD1 TYR A 406 6.939 -2.169 4.985 1.00 0.00 H new ATOM 0 HD2 TYR A 406 8.009 -6.329 4.990 1.00 0.00 H new ATOM 0 HE1 TYR A 406 9.285 -1.553 5.503 1.00 0.00 H new ATOM 0 HE2 TYR A 406 10.379 -5.728 5.434 1.00 0.00 H new ATOM 0 HH TYR A 406 11.854 -4.063 5.732 1.00 0.00 H new ATOM 410 N HIS A 407 7.594 -5.905 2.110 1.00 0.00 N ATOM 411 CA HIS A 407 8.352 -6.935 1.376 1.00 0.00 C ATOM 412 C HIS A 407 8.102 -6.916 -0.154 1.00 0.00 C ATOM 413 O HIS A 407 8.248 -7.940 -0.825 1.00 0.00 O ATOM 414 CB HIS A 407 8.187 -8.331 2.022 1.00 0.00 C ATOM 415 CG HIS A 407 8.827 -8.477 3.377 1.00 0.00 C ATOM 416 ND1 HIS A 407 10.180 -8.263 3.650 1.00 0.00 N ATOM 417 CD2 HIS A 407 8.204 -8.891 4.519 1.00 0.00 C ATOM 418 CE1 HIS A 407 10.334 -8.543 4.955 1.00 0.00 C ATOM 419 NE2 HIS A 407 9.165 -8.917 5.505 1.00 0.00 N ATOM 0 H HIS A 407 8.204 -5.203 2.529 1.00 0.00 H new ATOM 0 HA HIS A 407 9.407 -6.677 1.472 1.00 0.00 H new ATOM 0 HB2 HIS A 407 7.123 -8.551 2.112 1.00 0.00 H new ATOM 0 HB3 HIS A 407 8.612 -9.079 1.352 1.00 0.00 H new ATOM 0 HD2 HIS A 407 7.161 -9.148 4.628 1.00 0.00 H new ATOM 0 HE1 HIS A 407 11.270 -8.477 5.490 1.00 0.00 H new ATOM 0 HE2 HIS A 407 9.016 -9.175 6.481 1.00 0.00 H new ATOM 427 N LEU A 408 7.761 -5.753 -0.727 1.00 0.00 N ATOM 428 CA LEU A 408 7.712 -5.549 -2.187 1.00 0.00 C ATOM 429 C LEU A 408 9.097 -5.798 -2.823 1.00 0.00 C ATOM 430 O LEU A 408 10.115 -5.591 -2.151 1.00 0.00 O ATOM 431 CB LEU A 408 7.282 -4.099 -2.510 1.00 0.00 C ATOM 432 CG LEU A 408 5.851 -3.700 -2.104 1.00 0.00 C ATOM 433 CD1 LEU A 408 5.676 -2.181 -2.254 1.00 0.00 C ATOM 434 CD2 LEU A 408 4.809 -4.405 -2.983 1.00 0.00 C ATOM 0 H LEU A 408 7.510 -4.922 -0.191 1.00 0.00 H new ATOM 0 HA LEU A 408 6.990 -6.256 -2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 408 7.978 -3.419 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 408 7.388 -3.943 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 408 5.700 -4.000 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 408 4.663 -1.901 -1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 408 6.391 -1.667 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 408 5.850 -1.895 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 408 3.808 -4.104 -2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 408 4.965 -4.128 -4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 408 4.913 -5.485 -2.875 1.00 0.00 H new ATOM 446 N PRO A 409 9.172 -6.216 -4.102 1.00 0.00 N ATOM 447 CA PRO A 409 10.428 -6.217 -4.845 1.00 0.00 C ATOM 448 C PRO A 409 10.823 -4.756 -5.112 1.00 0.00 C ATOM 449 O PRO A 409 9.961 -3.909 -5.352 1.00 0.00 O ATOM 450 CB PRO A 409 10.145 -7.017 -6.120 1.00 0.00 C ATOM 451 CG PRO A 409 8.654 -6.794 -6.362 1.00 0.00 C ATOM 452 CD PRO A 409 8.070 -6.647 -4.955 1.00 0.00 C ATOM 0 HA PRO A 409 11.266 -6.673 -4.317 1.00 0.00 H new ATOM 0 HB2 PRO A 409 10.745 -6.661 -6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 409 10.376 -8.074 -5.989 1.00 0.00 H new ATOM 0 HG2 PRO A 409 8.476 -5.903 -6.963 1.00 0.00 H new ATOM 0 HG3 PRO A 409 8.206 -7.633 -6.895 1.00 0.00 H new ATOM 0 HD2 PRO A 409 7.260 -5.918 -4.944 1.00 0.00 H new ATOM 0 HD3 PRO A 409 7.653 -7.592 -4.606 1.00 0.00 H new ATOM 460 N GLN A 410 12.122 -4.437 -5.067 1.00 0.00 N ATOM 461 CA GLN A 410 12.617 -3.047 -5.071 1.00 0.00 C ATOM 462 C GLN A 410 12.551 -2.353 -6.457 1.00 0.00 C ATOM 463 O GLN A 410 13.154 -1.301 -6.665 1.00 0.00 O ATOM 464 CB GLN A 410 14.020 -3.012 -4.424 1.00 0.00 C ATOM 465 CG GLN A 410 14.312 -1.664 -3.742 1.00 0.00 C ATOM 466 CD GLN A 410 15.597 -1.688 -2.911 1.00 0.00 C ATOM 467 OE1 GLN A 410 15.612 -2.052 -1.743 1.00 0.00 O ATOM 468 NE2 GLN A 410 16.729 -1.301 -3.465 1.00 0.00 N ATOM 0 H GLN A 410 12.865 -5.135 -5.027 1.00 0.00 H new ATOM 0 HA GLN A 410 11.939 -2.443 -4.467 1.00 0.00 H new ATOM 0 HB2 GLN A 410 14.100 -3.814 -3.690 1.00 0.00 H new ATOM 0 HB3 GLN A 410 14.775 -3.202 -5.187 1.00 0.00 H new ATOM 0 HG2 GLN A 410 14.390 -0.887 -4.502 1.00 0.00 H new ATOM 0 HG3 GLN A 410 13.473 -1.398 -3.099 1.00 0.00 H new ATOM 0 HE21 GLN A 410 16.742 -0.993 -4.437 1.00 0.00 H new ATOM 0 HE22 GLN A 410 17.592 -1.309 -2.921 1.00 0.00 H new ATOM 477 N GLU A 411 11.800 -2.929 -7.400 1.00 0.00 N ATOM 478 CA GLU A 411 11.558 -2.426 -8.760 1.00 0.00 C ATOM 479 C GLU A 411 10.058 -2.243 -9.092 1.00 0.00 C ATOM 480 O GLU A 411 9.718 -1.870 -10.217 1.00 0.00 O ATOM 481 CB GLU A 411 12.263 -3.345 -9.777 1.00 0.00 C ATOM 482 CG GLU A 411 11.707 -4.777 -9.817 1.00 0.00 C ATOM 483 CD GLU A 411 12.451 -5.622 -10.863 1.00 0.00 C ATOM 484 OE1 GLU A 411 13.475 -6.258 -10.515 1.00 0.00 O ATOM 485 OE2 GLU A 411 12.014 -5.664 -12.038 1.00 0.00 O ATOM 0 H GLU A 411 11.316 -3.810 -7.227 1.00 0.00 H new ATOM 0 HA GLU A 411 11.983 -1.424 -8.822 1.00 0.00 H new ATOM 0 HB2 GLU A 411 12.176 -2.905 -10.770 1.00 0.00 H new ATOM 0 HB3 GLU A 411 13.326 -3.386 -9.539 1.00 0.00 H new ATOM 0 HG2 GLU A 411 11.805 -5.238 -8.834 1.00 0.00 H new ATOM 0 HG3 GLU A 411 10.643 -4.752 -10.053 1.00 0.00 H new ATOM 492 N PHE A 412 9.151 -2.496 -8.136 1.00 0.00 N ATOM 493 CA PHE A 412 7.699 -2.377 -8.329 1.00 0.00 C ATOM 494 C PHE A 412 7.253 -0.905 -8.360 1.00 0.00 C ATOM 495 O PHE A 412 7.612 -0.123 -7.474 1.00 0.00 O ATOM 496 CB PHE A 412 6.959 -3.171 -7.231 1.00 0.00 C ATOM 497 CG PHE A 412 5.928 -4.158 -7.752 1.00 0.00 C ATOM 498 CD1 PHE A 412 6.321 -5.176 -8.644 1.00 0.00 C ATOM 499 CD2 PHE A 412 4.589 -4.090 -7.321 1.00 0.00 C ATOM 500 CE1 PHE A 412 5.382 -6.117 -9.106 1.00 0.00 C ATOM 501 CE2 PHE A 412 3.655 -5.035 -7.780 1.00 0.00 C ATOM 502 CZ PHE A 412 4.048 -6.047 -8.671 1.00 0.00 C ATOM 0 H PHE A 412 9.410 -2.793 -7.195 1.00 0.00 H new ATOM 0 HA PHE A 412 7.441 -2.803 -9.298 1.00 0.00 H new ATOM 0 HB2 PHE A 412 7.693 -3.713 -6.635 1.00 0.00 H new ATOM 0 HB3 PHE A 412 6.464 -2.467 -6.563 1.00 0.00 H new ATOM 0 HD1 PHE A 412 7.348 -5.234 -8.975 1.00 0.00 H new ATOM 0 HD2 PHE A 412 4.280 -3.312 -6.638 1.00 0.00 H new ATOM 0 HE1 PHE A 412 5.686 -6.892 -9.794 1.00 0.00 H new ATOM 0 HE2 PHE A 412 2.629 -4.983 -7.446 1.00 0.00 H new ATOM 0 HZ PHE A 412 3.326 -6.770 -9.021 1.00 0.00 H new ATOM 512 N GLY A 413 6.454 -0.534 -9.366 1.00 0.00 N ATOM 513 CA GLY A 413 5.855 0.797 -9.507 1.00 0.00 C ATOM 514 C GLY A 413 4.456 0.893 -8.899 1.00 0.00 C ATOM 515 O GLY A 413 3.835 -0.107 -8.533 1.00 0.00 O ATOM 0 H GLY A 413 6.200 -1.167 -10.124 1.00 0.00 H new ATOM 0 HA2 GLY A 413 6.503 1.533 -9.030 1.00 0.00 H new ATOM 0 HA3 GLY A 413 5.803 1.055 -10.565 1.00 0.00 H new ATOM 519 N ASP A 414 3.934 2.117 -8.835 1.00 0.00 N ATOM 520 CA ASP A 414 2.609 2.421 -8.272 1.00 0.00 C ATOM 521 C ASP A 414 1.465 1.766 -9.066 1.00 0.00 C ATOM 522 O ASP A 414 0.477 1.310 -8.489 1.00 0.00 O ATOM 523 CB ASP A 414 2.413 3.942 -8.250 1.00 0.00 C ATOM 524 CG ASP A 414 3.506 4.668 -7.457 1.00 0.00 C ATOM 525 OD1 ASP A 414 3.520 4.529 -6.214 1.00 0.00 O ATOM 526 OD2 ASP A 414 4.346 5.355 -8.082 1.00 0.00 O ATOM 0 H ASP A 414 4.424 2.943 -9.178 1.00 0.00 H new ATOM 0 HA ASP A 414 2.576 2.011 -7.263 1.00 0.00 H new ATOM 0 HB2 ASP A 414 2.402 4.318 -9.273 1.00 0.00 H new ATOM 0 HB3 ASP A 414 1.440 4.173 -7.815 1.00 0.00 H new ATOM 531 N GLN A 415 1.622 1.685 -10.391 1.00 0.00 N ATOM 532 CA GLN A 415 0.650 1.068 -11.294 1.00 0.00 C ATOM 533 C GLN A 415 0.787 -0.467 -11.336 1.00 0.00 C ATOM 534 O GLN A 415 -0.184 -1.159 -11.637 1.00 0.00 O ATOM 535 CB GLN A 415 0.795 1.708 -12.687 1.00 0.00 C ATOM 536 CG GLN A 415 -0.431 1.462 -13.585 1.00 0.00 C ATOM 537 CD GLN A 415 -0.322 2.148 -14.953 1.00 0.00 C ATOM 538 OE1 GLN A 415 0.744 2.291 -15.540 1.00 0.00 O ATOM 539 NE2 GLN A 415 -1.422 2.602 -15.522 1.00 0.00 N ATOM 0 H GLN A 415 2.442 2.053 -10.872 1.00 0.00 H new ATOM 0 HA GLN A 415 -0.356 1.256 -10.920 1.00 0.00 H new ATOM 0 HB2 GLN A 415 0.948 2.781 -12.575 1.00 0.00 H new ATOM 0 HB3 GLN A 415 1.684 1.308 -13.175 1.00 0.00 H new ATOM 0 HG2 GLN A 415 -0.557 0.389 -13.732 1.00 0.00 H new ATOM 0 HG3 GLN A 415 -1.325 1.821 -13.075 1.00 0.00 H new ATOM 0 HE21 GLN A 415 -2.321 2.494 -15.052 1.00 0.00 H new ATOM 0 HE22 GLN A 415 -1.374 3.061 -16.432 1.00 0.00 H new ATOM 548 N ASP A 416 1.952 -1.025 -10.986 1.00 0.00 N ATOM 549 CA ASP A 416 2.133 -2.476 -10.829 1.00 0.00 C ATOM 550 C ASP A 416 1.438 -2.969 -9.553 1.00 0.00 C ATOM 551 O ASP A 416 0.715 -3.967 -9.585 1.00 0.00 O ATOM 552 CB ASP A 416 3.623 -2.846 -10.792 1.00 0.00 C ATOM 553 CG ASP A 416 4.380 -2.453 -12.067 1.00 0.00 C ATOM 554 OD1 ASP A 416 4.059 -2.992 -13.153 1.00 0.00 O ATOM 555 OD2 ASP A 416 5.317 -1.626 -11.967 1.00 0.00 O ATOM 0 H ASP A 416 2.797 -0.484 -10.803 1.00 0.00 H new ATOM 0 HA ASP A 416 1.679 -2.965 -11.691 1.00 0.00 H new ATOM 0 HB2 ASP A 416 4.090 -2.358 -9.936 1.00 0.00 H new ATOM 0 HB3 ASP A 416 3.719 -3.921 -10.638 1.00 0.00 H new ATOM 560 N LEU A 417 1.587 -2.222 -8.448 1.00 0.00 N ATOM 561 CA LEU A 417 0.872 -2.470 -7.197 1.00 0.00 C ATOM 562 C LEU A 417 -0.645 -2.372 -7.393 1.00 0.00 C ATOM 563 O LEU A 417 -1.381 -3.228 -6.907 1.00 0.00 O ATOM 564 CB LEU A 417 1.395 -1.494 -6.124 1.00 0.00 C ATOM 565 CG LEU A 417 0.857 -1.773 -4.705 1.00 0.00 C ATOM 566 CD1 LEU A 417 1.224 -3.185 -4.228 1.00 0.00 C ATOM 567 CD2 LEU A 417 1.419 -0.745 -3.712 1.00 0.00 C ATOM 0 H LEU A 417 2.216 -1.420 -8.403 1.00 0.00 H new ATOM 0 HA LEU A 417 1.062 -3.489 -6.859 1.00 0.00 H new ATOM 0 HB2 LEU A 417 2.484 -1.542 -6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 417 1.125 -0.477 -6.410 1.00 0.00 H new ATOM 0 HG LEU A 417 -0.229 -1.694 -4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 417 0.828 -3.345 -3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 417 0.796 -3.921 -4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 417 2.309 -3.293 -4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 417 1.032 -0.953 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 417 2.507 -0.809 -3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 417 1.118 0.257 -4.016 1.00 0.00 H new ATOM 579 N LEU A 418 -1.109 -1.388 -8.169 1.00 0.00 N ATOM 580 CA LEU A 418 -2.519 -1.237 -8.537 1.00 0.00 C ATOM 581 C LEU A 418 -3.040 -2.433 -9.330 1.00 0.00 C ATOM 582 O LEU A 418 -4.045 -3.013 -8.936 1.00 0.00 O ATOM 583 CB LEU A 418 -2.676 0.073 -9.318 1.00 0.00 C ATOM 584 CG LEU A 418 -4.091 0.405 -9.823 1.00 0.00 C ATOM 585 CD1 LEU A 418 -5.080 0.590 -8.672 1.00 0.00 C ATOM 586 CD2 LEU A 418 -4.041 1.687 -10.668 1.00 0.00 C ATOM 0 H LEU A 418 -0.508 -0.665 -8.564 1.00 0.00 H new ATOM 0 HA LEU A 418 -3.124 -1.200 -7.631 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -2.340 0.892 -8.682 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -2.006 0.041 -10.177 1.00 0.00 H new ATOM 0 HG LEU A 418 -4.437 -0.435 -10.426 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -6.066 0.823 -9.074 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -5.134 -0.328 -8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -4.746 1.408 -8.033 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -5.042 1.925 -11.027 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -3.669 2.510 -10.058 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -3.376 1.536 -11.519 1.00 0.00 H new ATOM 598 N GLN A 419 -2.371 -2.828 -10.416 1.00 0.00 N ATOM 599 CA GLN A 419 -2.815 -3.951 -11.256 1.00 0.00 C ATOM 600 C GLN A 419 -2.820 -5.292 -10.504 1.00 0.00 C ATOM 601 O GLN A 419 -3.608 -6.179 -10.837 1.00 0.00 O ATOM 602 CB GLN A 419 -1.932 -4.033 -12.509 1.00 0.00 C ATOM 603 CG GLN A 419 -2.247 -2.910 -13.511 1.00 0.00 C ATOM 604 CD GLN A 419 -1.183 -2.829 -14.605 1.00 0.00 C ATOM 605 OE1 GLN A 419 -1.359 -3.286 -15.729 1.00 0.00 O ATOM 606 NE2 GLN A 419 -0.035 -2.256 -14.310 1.00 0.00 N ATOM 0 H GLN A 419 -1.511 -2.384 -10.739 1.00 0.00 H new ATOM 0 HA GLN A 419 -3.848 -3.759 -11.544 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -0.883 -3.975 -12.218 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -2.076 -5.000 -12.991 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -3.223 -3.086 -13.962 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -2.305 -1.957 -12.986 1.00 0.00 H new ATOM 0 HE21 GLN A 419 0.119 -1.873 -13.377 1.00 0.00 H new ATOM 0 HE22 GLN A 419 0.700 -2.195 -15.014 1.00 0.00 H new ATOM 615 N MET A 420 -1.999 -5.431 -9.457 1.00 0.00 N ATOM 616 CA MET A 420 -1.965 -6.609 -8.585 1.00 0.00 C ATOM 617 C MET A 420 -3.093 -6.618 -7.532 1.00 0.00 C ATOM 618 O MET A 420 -3.524 -7.693 -7.112 1.00 0.00 O ATOM 619 CB MET A 420 -0.566 -6.672 -7.955 1.00 0.00 C ATOM 620 CG MET A 420 -0.289 -8.009 -7.266 1.00 0.00 C ATOM 621 SD MET A 420 1.443 -8.264 -6.794 1.00 0.00 S ATOM 622 CE MET A 420 1.620 -7.019 -5.491 1.00 0.00 C ATOM 0 H MET A 420 -1.326 -4.713 -9.187 1.00 0.00 H new ATOM 0 HA MET A 420 -2.151 -7.506 -9.175 1.00 0.00 H new ATOM 0 HB2 MET A 420 0.184 -6.504 -8.728 1.00 0.00 H new ATOM 0 HB3 MET A 420 -0.462 -5.865 -7.229 1.00 0.00 H new ATOM 0 HG2 MET A 420 -0.910 -8.079 -6.373 1.00 0.00 H new ATOM 0 HG3 MET A 420 -0.594 -8.817 -7.931 1.00 0.00 H new ATOM 0 HE1 MET A 420 2.661 -6.974 -5.170 1.00 0.00 H new ATOM 0 HE2 MET A 420 1.316 -6.045 -5.875 1.00 0.00 H new ATOM 0 HE3 MET A 420 0.990 -7.287 -4.643 1.00 0.00 H new ATOM 632 N PHE A 421 -3.602 -5.443 -7.135 1.00 0.00 N ATOM 633 CA PHE A 421 -4.692 -5.263 -6.160 1.00 0.00 C ATOM 634 C PHE A 421 -6.074 -4.964 -6.789 1.00 0.00 C ATOM 635 O PHE A 421 -7.096 -5.077 -6.107 1.00 0.00 O ATOM 636 CB PHE A 421 -4.266 -4.208 -5.123 1.00 0.00 C ATOM 637 CG PHE A 421 -3.386 -4.741 -3.997 1.00 0.00 C ATOM 638 CD1 PHE A 421 -2.059 -5.148 -4.238 1.00 0.00 C ATOM 639 CD2 PHE A 421 -3.897 -4.819 -2.684 1.00 0.00 C ATOM 640 CE1 PHE A 421 -1.259 -5.627 -3.185 1.00 0.00 C ATOM 641 CE2 PHE A 421 -3.101 -5.309 -1.634 1.00 0.00 C ATOM 642 CZ PHE A 421 -1.782 -5.718 -1.885 1.00 0.00 C ATOM 0 H PHE A 421 -3.253 -4.556 -7.498 1.00 0.00 H new ATOM 0 HA PHE A 421 -4.848 -6.219 -5.661 1.00 0.00 H new ATOM 0 HB2 PHE A 421 -3.731 -3.409 -5.636 1.00 0.00 H new ATOM 0 HB3 PHE A 421 -5.161 -3.764 -4.687 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -1.654 -5.092 -5.237 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -4.909 -4.499 -2.484 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -0.239 -5.926 -3.377 1.00 0.00 H new ATOM 0 HE2 PHE A 421 -3.504 -5.371 -0.634 1.00 0.00 H new ATOM 0 HZ PHE A 421 -1.171 -6.101 -1.081 1.00 0.00 H new ATOM 652 N MET A 422 -6.138 -4.659 -8.092 1.00 0.00 N ATOM 653 CA MET A 422 -7.368 -4.493 -8.890 1.00 0.00 C ATOM 654 C MET A 422 -8.448 -5.585 -8.682 1.00 0.00 C ATOM 655 O MET A 422 -9.621 -5.209 -8.593 1.00 0.00 O ATOM 656 CB MET A 422 -7.009 -4.419 -10.388 1.00 0.00 C ATOM 657 CG MET A 422 -6.763 -3.002 -10.911 1.00 0.00 C ATOM 658 SD MET A 422 -6.419 -2.984 -12.692 1.00 0.00 S ATOM 659 CE MET A 422 -5.801 -1.295 -12.902 1.00 0.00 C ATOM 0 H MET A 422 -5.295 -4.514 -8.648 1.00 0.00 H new ATOM 0 HA MET A 422 -7.814 -3.565 -8.532 1.00 0.00 H new ATOM 0 HB2 MET A 422 -6.116 -5.018 -10.565 1.00 0.00 H new ATOM 0 HB3 MET A 422 -7.816 -4.871 -10.965 1.00 0.00 H new ATOM 0 HG2 MET A 422 -7.636 -2.383 -10.704 1.00 0.00 H new ATOM 0 HG3 MET A 422 -5.924 -2.559 -10.375 1.00 0.00 H new ATOM 0 HE1 MET A 422 -5.881 -1.006 -13.950 1.00 0.00 H new ATOM 0 HE2 MET A 422 -6.392 -0.613 -12.291 1.00 0.00 H new ATOM 0 HE3 MET A 422 -4.757 -1.248 -12.591 1.00 0.00 H new ATOM 669 N PRO A 423 -8.112 -6.895 -8.600 1.00 0.00 N ATOM 670 CA PRO A 423 -9.091 -7.978 -8.452 1.00 0.00 C ATOM 671 C PRO A 423 -10.001 -7.911 -7.216 1.00 0.00 C ATOM 672 O PRO A 423 -11.024 -8.599 -7.196 1.00 0.00 O ATOM 673 CB PRO A 423 -8.275 -9.273 -8.426 1.00 0.00 C ATOM 674 CG PRO A 423 -7.048 -8.933 -9.262 1.00 0.00 C ATOM 675 CD PRO A 423 -6.804 -7.472 -8.899 1.00 0.00 C ATOM 0 HA PRO A 423 -9.792 -7.904 -9.283 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -8.003 -9.556 -7.409 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -8.832 -10.108 -8.851 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -6.196 -9.563 -9.008 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -7.234 -9.062 -10.328 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -6.139 -7.392 -8.039 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -6.325 -6.942 -9.723 1.00 0.00 H new ATOM 683 N PHE A 424 -9.659 -7.114 -6.195 1.00 0.00 N ATOM 684 CA PHE A 424 -10.346 -7.122 -4.896 1.00 0.00 C ATOM 685 C PHE A 424 -11.371 -5.985 -4.721 1.00 0.00 C ATOM 686 O PHE A 424 -12.118 -5.998 -3.740 1.00 0.00 O ATOM 687 CB PHE A 424 -9.289 -7.141 -3.778 1.00 0.00 C ATOM 688 CG PHE A 424 -8.210 -8.194 -3.977 1.00 0.00 C ATOM 689 CD1 PHE A 424 -8.565 -9.556 -4.032 1.00 0.00 C ATOM 690 CD2 PHE A 424 -6.867 -7.817 -4.185 1.00 0.00 C ATOM 691 CE1 PHE A 424 -7.593 -10.529 -4.324 1.00 0.00 C ATOM 692 CE2 PHE A 424 -5.898 -8.791 -4.479 1.00 0.00 C ATOM 693 CZ PHE A 424 -6.262 -10.145 -4.554 1.00 0.00 C ATOM 0 H PHE A 424 -8.894 -6.442 -6.247 1.00 0.00 H new ATOM 0 HA PHE A 424 -10.951 -8.027 -4.842 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -8.820 -6.159 -3.717 1.00 0.00 H new ATOM 0 HB3 PHE A 424 -9.785 -7.317 -2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 424 -9.587 -9.854 -3.849 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -6.583 -6.777 -4.118 1.00 0.00 H new ATOM 0 HE1 PHE A 424 -7.870 -11.572 -4.371 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -4.872 -8.498 -4.647 1.00 0.00 H new ATOM 0 HZ PHE A 424 -5.518 -10.892 -4.789 1.00 0.00 H new ATOM 703 N GLY A 425 -11.456 -5.040 -5.671 1.00 0.00 N ATOM 704 CA GLY A 425 -12.454 -3.958 -5.696 1.00 0.00 C ATOM 705 C GLY A 425 -11.926 -2.607 -6.182 1.00 0.00 C ATOM 706 O GLY A 425 -10.839 -2.504 -6.752 1.00 0.00 O ATOM 0 H GLY A 425 -10.816 -5.006 -6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 425 -13.281 -4.261 -6.338 1.00 0.00 H new ATOM 0 HA3 GLY A 425 -12.859 -3.834 -4.692 1.00 0.00 H new ATOM 710 N ASN A 426 -12.713 -1.549 -5.961 1.00 0.00 N ATOM 711 CA ASN A 426 -12.398 -0.193 -6.419 1.00 0.00 C ATOM 712 C ASN A 426 -11.266 0.455 -5.596 1.00 0.00 C ATOM 713 O ASN A 426 -11.513 1.089 -4.567 1.00 0.00 O ATOM 714 CB ASN A 426 -13.668 0.676 -6.423 1.00 0.00 C ATOM 715 CG ASN A 426 -13.378 2.106 -6.885 1.00 0.00 C ATOM 716 OD1 ASN A 426 -12.499 2.349 -7.704 1.00 0.00 O ATOM 717 ND2 ASN A 426 -14.083 3.091 -6.367 1.00 0.00 N ATOM 0 H ASN A 426 -13.596 -1.611 -5.454 1.00 0.00 H new ATOM 0 HA ASN A 426 -12.027 -0.265 -7.441 1.00 0.00 H new ATOM 0 HB2 ASN A 426 -14.414 0.227 -7.079 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -14.096 0.698 -5.421 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -13.897 4.054 -6.648 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -14.815 2.891 -5.685 1.00 0.00 H new ATOM 724 N VAL A 427 -10.026 0.313 -6.071 1.00 0.00 N ATOM 725 CA VAL A 427 -8.857 1.038 -5.546 1.00 0.00 C ATOM 726 C VAL A 427 -8.978 2.532 -5.886 1.00 0.00 C ATOM 727 O VAL A 427 -9.087 2.904 -7.053 1.00 0.00 O ATOM 728 CB VAL A 427 -7.523 0.466 -6.082 1.00 0.00 C ATOM 729 CG1 VAL A 427 -6.324 1.274 -5.558 1.00 0.00 C ATOM 730 CG2 VAL A 427 -7.326 -1.006 -5.685 1.00 0.00 C ATOM 0 H VAL A 427 -9.799 -0.316 -6.841 1.00 0.00 H new ATOM 0 HA VAL A 427 -8.845 0.909 -4.464 1.00 0.00 H new ATOM 0 HB VAL A 427 -7.575 0.538 -7.168 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -5.400 0.850 -5.951 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -6.414 2.311 -5.883 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -6.307 1.235 -4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -6.377 -1.366 -6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -7.321 -1.092 -4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -8.141 -1.605 -6.092 1.00 0.00 H new ATOM 740 N VAL A 428 -8.929 3.367 -4.849 1.00 0.00 N ATOM 741 CA VAL A 428 -8.975 4.841 -4.879 1.00 0.00 C ATOM 742 C VAL A 428 -7.574 5.441 -5.069 1.00 0.00 C ATOM 743 O VAL A 428 -7.421 6.470 -5.726 1.00 0.00 O ATOM 744 CB VAL A 428 -9.607 5.372 -3.565 1.00 0.00 C ATOM 745 CG1 VAL A 428 -9.520 6.901 -3.392 1.00 0.00 C ATOM 746 CG2 VAL A 428 -11.086 4.954 -3.475 1.00 0.00 C ATOM 0 H VAL A 428 -8.851 3.013 -3.895 1.00 0.00 H new ATOM 0 HA VAL A 428 -9.587 5.145 -5.728 1.00 0.00 H new ATOM 0 HB VAL A 428 -9.019 4.924 -2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -9.985 7.187 -2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -8.474 7.208 -3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -10.039 7.391 -4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -11.516 5.334 -2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -11.633 5.365 -4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -11.158 3.866 -3.490 1.00 0.00 H new ATOM 756 N SER A 429 -6.540 4.791 -4.531 1.00 0.00 N ATOM 757 CA SER A 429 -5.151 5.266 -4.544 1.00 0.00 C ATOM 758 C SER A 429 -4.169 4.105 -4.313 1.00 0.00 C ATOM 759 O SER A 429 -4.476 3.149 -3.594 1.00 0.00 O ATOM 760 CB SER A 429 -4.943 6.369 -3.492 1.00 0.00 C ATOM 761 OG SER A 429 -5.217 5.883 -2.192 1.00 0.00 O ATOM 0 H SER A 429 -6.647 3.893 -4.060 1.00 0.00 H new ATOM 0 HA SER A 429 -4.950 5.688 -5.529 1.00 0.00 H new ATOM 0 HB2 SER A 429 -3.917 6.734 -3.540 1.00 0.00 H new ATOM 0 HB3 SER A 429 -5.593 7.216 -3.713 1.00 0.00 H new ATOM 0 HG SER A 429 -4.772 6.452 -1.530 1.00 0.00 H new ATOM 767 N ALA A 430 -2.979 4.197 -4.916 1.00 0.00 N ATOM 768 CA ALA A 430 -1.884 3.241 -4.785 1.00 0.00 C ATOM 769 C ALA A 430 -0.545 3.995 -4.814 1.00 0.00 C ATOM 770 O ALA A 430 -0.301 4.812 -5.707 1.00 0.00 O ATOM 771 CB ALA A 430 -1.991 2.195 -5.906 1.00 0.00 C ATOM 0 H ALA A 430 -2.747 4.974 -5.534 1.00 0.00 H new ATOM 0 HA ALA A 430 -1.942 2.713 -3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 430 -1.175 1.478 -5.813 1.00 0.00 H new ATOM 0 HB2 ALA A 430 -2.944 1.673 -5.826 1.00 0.00 H new ATOM 0 HB3 ALA A 430 -1.929 2.692 -6.874 1.00 0.00 H new ATOM 777 N LYS A 431 0.315 3.735 -3.828 1.00 0.00 N ATOM 778 CA LYS A 431 1.530 4.522 -3.576 1.00 0.00 C ATOM 779 C LYS A 431 2.655 3.660 -2.982 1.00 0.00 C ATOM 780 O LYS A 431 2.608 3.301 -1.809 1.00 0.00 O ATOM 781 CB LYS A 431 1.147 5.715 -2.670 1.00 0.00 C ATOM 782 CG LYS A 431 2.287 6.657 -2.243 1.00 0.00 C ATOM 783 CD LYS A 431 3.096 7.215 -3.422 1.00 0.00 C ATOM 784 CE LYS A 431 4.098 8.281 -2.956 1.00 0.00 C ATOM 785 NZ LYS A 431 5.087 8.592 -4.018 1.00 0.00 N ATOM 0 H LYS A 431 0.189 2.964 -3.173 1.00 0.00 H new ATOM 0 HA LYS A 431 1.932 4.903 -4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 431 0.393 6.307 -3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 431 0.677 5.320 -1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 431 1.868 7.488 -1.675 1.00 0.00 H new ATOM 0 HG3 LYS A 431 2.959 6.120 -1.573 1.00 0.00 H new ATOM 0 HD2 LYS A 431 3.629 6.403 -3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 431 2.419 7.647 -4.159 1.00 0.00 H new ATOM 0 HE2 LYS A 431 3.563 9.189 -2.677 1.00 0.00 H new ATOM 0 HE3 LYS A 431 4.617 7.930 -2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 5.750 9.315 -3.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 5.613 7.730 -4.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 4.592 8.949 -4.860 1.00 0.00 H new ATOM 799 N VAL A 432 3.674 3.345 -3.777 1.00 0.00 N ATOM 800 CA VAL A 432 4.932 2.728 -3.323 1.00 0.00 C ATOM 801 C VAL A 432 5.823 3.847 -2.777 1.00 0.00 C ATOM 802 O VAL A 432 5.895 4.925 -3.371 1.00 0.00 O ATOM 803 CB VAL A 432 5.646 1.958 -4.461 1.00 0.00 C ATOM 804 CG1 VAL A 432 6.944 1.294 -3.964 1.00 0.00 C ATOM 805 CG2 VAL A 432 4.742 0.855 -5.039 1.00 0.00 C ATOM 0 H VAL A 432 3.654 3.513 -4.783 1.00 0.00 H new ATOM 0 HA VAL A 432 4.719 1.992 -2.548 1.00 0.00 H new ATOM 0 HB VAL A 432 5.879 2.693 -5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 432 7.419 0.762 -4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 432 7.622 2.059 -3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 432 6.710 0.590 -3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 432 5.271 0.332 -5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 432 4.482 0.148 -4.251 1.00 0.00 H new ATOM 0 HG23 VAL A 432 3.833 1.303 -5.440 1.00 0.00 H new ATOM 815 N PHE A 433 6.478 3.613 -1.637 1.00 0.00 N ATOM 816 CA PHE A 433 7.337 4.602 -0.996 1.00 0.00 C ATOM 817 C PHE A 433 8.726 4.614 -1.657 1.00 0.00 C ATOM 818 O PHE A 433 9.470 3.632 -1.602 1.00 0.00 O ATOM 819 CB PHE A 433 7.385 4.334 0.513 1.00 0.00 C ATOM 820 CG PHE A 433 7.900 5.509 1.321 1.00 0.00 C ATOM 821 CD1 PHE A 433 9.284 5.723 1.453 1.00 0.00 C ATOM 822 CD2 PHE A 433 6.996 6.383 1.957 1.00 0.00 C ATOM 823 CE1 PHE A 433 9.765 6.791 2.231 1.00 0.00 C ATOM 824 CE2 PHE A 433 7.477 7.451 2.736 1.00 0.00 C ATOM 825 CZ PHE A 433 8.861 7.648 2.882 1.00 0.00 C ATOM 0 H PHE A 433 6.425 2.727 -1.134 1.00 0.00 H new ATOM 0 HA PHE A 433 6.928 5.603 -1.132 1.00 0.00 H new ATOM 0 HB2 PHE A 433 6.384 4.076 0.860 1.00 0.00 H new ATOM 0 HB3 PHE A 433 8.021 3.468 0.700 1.00 0.00 H new ATOM 0 HD1 PHE A 433 9.980 5.064 0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 433 5.932 6.233 1.846 1.00 0.00 H new ATOM 0 HE1 PHE A 433 10.828 6.953 2.328 1.00 0.00 H new ATOM 0 HE2 PHE A 433 6.782 8.120 3.222 1.00 0.00 H new ATOM 0 HZ PHE A 433 9.230 8.458 3.494 1.00 0.00 H new ATOM 835 N ILE A 434 9.069 5.735 -2.297 1.00 0.00 N ATOM 836 CA ILE A 434 10.306 5.936 -3.070 1.00 0.00 C ATOM 837 C ILE A 434 11.163 7.018 -2.401 1.00 0.00 C ATOM 838 O ILE A 434 10.660 8.091 -2.071 1.00 0.00 O ATOM 839 CB ILE A 434 9.974 6.328 -4.534 1.00 0.00 C ATOM 840 CG1 ILE A 434 8.952 5.411 -5.247 1.00 0.00 C ATOM 841 CG2 ILE A 434 11.261 6.405 -5.373 1.00 0.00 C ATOM 842 CD1 ILE A 434 9.322 3.924 -5.330 1.00 0.00 C ATOM 0 H ILE A 434 8.472 6.562 -2.293 1.00 0.00 H new ATOM 0 HA ILE A 434 10.869 5.003 -3.090 1.00 0.00 H new ATOM 0 HB ILE A 434 9.495 7.304 -4.457 1.00 0.00 H new ATOM 0 HG12 ILE A 434 7.995 5.498 -4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 434 8.804 5.785 -6.260 1.00 0.00 H new ATOM 0 HG21 ILE A 434 11.011 6.681 -6.398 1.00 0.00 H new ATOM 0 HG22 ILE A 434 11.928 7.154 -4.948 1.00 0.00 H new ATOM 0 HG23 ILE A 434 11.756 5.434 -5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 434 8.533 3.381 -5.850 1.00 0.00 H new ATOM 0 HD12 ILE A 434 10.259 3.812 -5.875 1.00 0.00 H new ATOM 0 HD13 ILE A 434 9.438 3.521 -4.324 1.00 0.00 H new ATOM 952 N SER A 441 13.039 2.378 -4.440 1.00 0.00 N ATOM 953 CA SER A 441 11.983 1.872 -3.549 1.00 0.00 C ATOM 954 C SER A 441 12.540 1.467 -2.174 1.00 0.00 C ATOM 955 O SER A 441 13.662 0.969 -2.054 1.00 0.00 O ATOM 956 CB SER A 441 11.252 0.702 -4.222 1.00 0.00 C ATOM 957 OG SER A 441 10.329 0.078 -3.339 1.00 0.00 O ATOM 0 HA SER A 441 11.270 2.677 -3.372 1.00 0.00 H new ATOM 0 HB2 SER A 441 10.724 1.063 -5.104 1.00 0.00 H new ATOM 0 HB3 SER A 441 11.980 -0.033 -4.565 1.00 0.00 H new ATOM 0 HG SER A 441 9.881 -0.661 -3.802 1.00 0.00 H new ATOM 963 N LYS A 442 11.736 1.657 -1.123 1.00 0.00 N ATOM 964 CA LYS A 442 12.025 1.188 0.239 1.00 0.00 C ATOM 965 C LYS A 442 11.335 -0.157 0.573 1.00 0.00 C ATOM 966 O LYS A 442 11.215 -0.519 1.744 1.00 0.00 O ATOM 967 CB LYS A 442 11.671 2.310 1.238 1.00 0.00 C ATOM 968 CG LYS A 442 12.406 3.650 1.024 1.00 0.00 C ATOM 969 CD LYS A 442 13.937 3.572 0.888 1.00 0.00 C ATOM 970 CE LYS A 442 14.598 2.747 1.997 1.00 0.00 C ATOM 971 NZ LYS A 442 16.073 2.672 1.813 1.00 0.00 N ATOM 0 H LYS A 442 10.847 2.152 -1.195 1.00 0.00 H new ATOM 0 HA LYS A 442 13.090 0.971 0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 442 10.598 2.493 1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 442 11.886 1.955 2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 442 12.006 4.120 0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 442 12.170 4.308 1.860 1.00 0.00 H new ATOM 0 HD2 LYS A 442 14.188 3.137 -0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 442 14.349 4.581 0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 442 14.373 3.192 2.966 1.00 0.00 H new ATOM 0 HE3 LYS A 442 14.179 1.741 2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 16.490 2.107 2.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 16.286 2.226 0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 16.474 3.631 1.832 1.00 0.00 H new ATOM 985 N CYS A 443 10.829 -0.871 -0.444 1.00 0.00 N ATOM 986 CA CYS A 443 10.174 -2.190 -0.344 1.00 0.00 C ATOM 987 C CYS A 443 8.828 -2.172 0.417 1.00 0.00 C ATOM 988 O CYS A 443 8.309 -3.234 0.774 1.00 0.00 O ATOM 989 CB CYS A 443 11.160 -3.240 0.209 1.00 0.00 C ATOM 990 SG CYS A 443 12.559 -3.428 -0.932 1.00 0.00 S ATOM 0 H CYS A 443 10.866 -0.531 -1.405 1.00 0.00 H new ATOM 0 HA CYS A 443 9.899 -2.481 -1.358 1.00 0.00 H new ATOM 0 HB2 CYS A 443 11.519 -2.934 1.192 1.00 0.00 H new ATOM 0 HB3 CYS A 443 10.653 -4.196 0.338 1.00 0.00 H new ATOM 0 HG CYS A 443 13.388 -4.312 -0.461 1.00 0.00 H new ATOM 996 N PHE A 444 8.244 -0.987 0.629 1.00 0.00 N ATOM 997 CA PHE A 444 6.940 -0.798 1.264 1.00 0.00 C ATOM 998 C PHE A 444 6.084 0.220 0.506 1.00 0.00 C ATOM 999 O PHE A 444 6.602 1.080 -0.209 1.00 0.00 O ATOM 1000 CB PHE A 444 7.102 -0.455 2.754 1.00 0.00 C ATOM 1001 CG PHE A 444 7.445 0.979 3.122 1.00 0.00 C ATOM 1002 CD1 PHE A 444 6.419 1.925 3.318 1.00 0.00 C ATOM 1003 CD2 PHE A 444 8.783 1.351 3.355 1.00 0.00 C ATOM 1004 CE1 PHE A 444 6.732 3.229 3.744 1.00 0.00 C ATOM 1005 CE2 PHE A 444 9.098 2.661 3.762 1.00 0.00 C ATOM 1006 CZ PHE A 444 8.071 3.597 3.968 1.00 0.00 C ATOM 0 H PHE A 444 8.682 -0.108 0.354 1.00 0.00 H new ATOM 0 HA PHE A 444 6.396 -1.741 1.215 1.00 0.00 H new ATOM 0 HB2 PHE A 444 6.173 -0.717 3.260 1.00 0.00 H new ATOM 0 HB3 PHE A 444 7.880 -1.100 3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 444 5.390 1.648 3.141 1.00 0.00 H new ATOM 0 HD2 PHE A 444 9.573 0.626 3.221 1.00 0.00 H new ATOM 0 HE1 PHE A 444 5.942 3.949 3.899 1.00 0.00 H new ATOM 0 HE2 PHE A 444 10.128 2.946 3.916 1.00 0.00 H new ATOM 0 HZ PHE A 444 8.309 4.597 4.298 1.00 0.00 H new ATOM 1016 N GLY A 445 4.765 0.095 0.643 1.00 0.00 N ATOM 1017 CA GLY A 445 3.776 0.917 -0.049 1.00 0.00 C ATOM 1018 C GLY A 445 2.370 0.783 0.525 1.00 0.00 C ATOM 1019 O GLY A 445 2.168 0.205 1.593 1.00 0.00 O ATOM 0 H GLY A 445 4.343 -0.602 1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 445 4.083 1.962 0.001 1.00 0.00 H new ATOM 0 HA3 GLY A 445 3.758 0.641 -1.103 1.00 0.00 H new ATOM 1023 N PHE A 446 1.396 1.322 -0.205 1.00 0.00 N ATOM 1024 CA PHE A 446 0.016 1.481 0.238 1.00 0.00 C ATOM 1025 C PHE A 446 -0.983 1.258 -0.895 1.00 0.00 C ATOM 1026 O PHE A 446 -0.687 1.531 -2.059 1.00 0.00 O ATOM 1027 CB PHE A 446 -0.189 2.890 0.814 1.00 0.00 C ATOM 1028 CG PHE A 446 0.674 3.209 2.012 1.00 0.00 C ATOM 1029 CD1 PHE A 446 0.223 2.899 3.308 1.00 0.00 C ATOM 1030 CD2 PHE A 446 1.941 3.791 1.825 1.00 0.00 C ATOM 1031 CE1 PHE A 446 1.036 3.179 4.419 1.00 0.00 C ATOM 1032 CE2 PHE A 446 2.761 4.052 2.933 1.00 0.00 C ATOM 1033 CZ PHE A 446 2.301 3.760 4.225 1.00 0.00 C ATOM 0 H PHE A 446 1.552 1.671 -1.151 1.00 0.00 H new ATOM 0 HA PHE A 446 -0.165 0.726 1.003 1.00 0.00 H new ATOM 0 HB2 PHE A 446 0.013 3.621 0.032 1.00 0.00 H new ATOM 0 HB3 PHE A 446 -1.236 3.005 1.095 1.00 0.00 H new ATOM 0 HD1 PHE A 446 -0.747 2.446 3.449 1.00 0.00 H new ATOM 0 HD2 PHE A 446 2.282 4.036 0.830 1.00 0.00 H new ATOM 0 HE1 PHE A 446 0.691 2.949 5.416 1.00 0.00 H new ATOM 0 HE2 PHE A 446 3.744 4.477 2.791 1.00 0.00 H new ATOM 0 HZ PHE A 446 2.924 3.983 5.078 1.00 0.00 H new ATOM 1043 N VAL A 447 -2.185 0.822 -0.520 1.00 0.00 N ATOM 1044 CA VAL A 447 -3.356 0.685 -1.401 1.00 0.00 C ATOM 1045 C VAL A 447 -4.594 1.065 -0.592 1.00 0.00 C ATOM 1046 O VAL A 447 -4.754 0.600 0.532 1.00 0.00 O ATOM 1047 CB VAL A 447 -3.502 -0.755 -1.961 1.00 0.00 C ATOM 1048 CG1 VAL A 447 -4.783 -0.925 -2.796 1.00 0.00 C ATOM 1049 CG2 VAL A 447 -2.312 -1.149 -2.852 1.00 0.00 C ATOM 0 H VAL A 447 -2.383 0.543 0.441 1.00 0.00 H new ATOM 0 HA VAL A 447 -3.233 1.342 -2.262 1.00 0.00 H new ATOM 0 HB VAL A 447 -3.543 -1.401 -1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 447 -4.842 -1.948 -3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 447 -5.653 -0.713 -2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 447 -4.762 -0.234 -3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 447 -2.455 -2.164 -3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 447 -2.245 -0.461 -3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 447 -1.391 -1.101 -2.271 1.00 0.00 H new ATOM 1059 N SER A 448 -5.476 1.898 -1.139 1.00 0.00 N ATOM 1060 CA SER A 448 -6.724 2.291 -0.466 1.00 0.00 C ATOM 1061 C SER A 448 -7.949 2.064 -1.349 1.00 0.00 C ATOM 1062 O SER A 448 -7.948 2.397 -2.531 1.00 0.00 O ATOM 1063 CB SER A 448 -6.693 3.762 -0.040 1.00 0.00 C ATOM 1064 OG SER A 448 -5.572 4.077 0.775 1.00 0.00 O ATOM 0 H SER A 448 -5.352 2.322 -2.058 1.00 0.00 H new ATOM 0 HA SER A 448 -6.801 1.656 0.417 1.00 0.00 H new ATOM 0 HB2 SER A 448 -6.678 4.393 -0.929 1.00 0.00 H new ATOM 0 HB3 SER A 448 -7.608 3.997 0.503 1.00 0.00 H new ATOM 0 HG SER A 448 -5.415 5.044 0.755 1.00 0.00 H new ATOM 1070 N TYR A 449 -9.017 1.537 -0.754 1.00 0.00 N ATOM 1071 CA TYR A 449 -10.315 1.282 -1.381 1.00 0.00 C ATOM 1072 C TYR A 449 -11.380 2.283 -0.900 1.00 0.00 C ATOM 1073 O TYR A 449 -11.179 3.019 0.068 1.00 0.00 O ATOM 1074 CB TYR A 449 -10.740 -0.160 -1.059 1.00 0.00 C ATOM 1075 CG TYR A 449 -9.839 -1.220 -1.661 1.00 0.00 C ATOM 1076 CD1 TYR A 449 -8.694 -1.654 -0.967 1.00 0.00 C ATOM 1077 CD2 TYR A 449 -10.147 -1.768 -2.921 1.00 0.00 C ATOM 1078 CE1 TYR A 449 -7.855 -2.629 -1.534 1.00 0.00 C ATOM 1079 CE2 TYR A 449 -9.313 -2.748 -3.491 1.00 0.00 C ATOM 1080 CZ TYR A 449 -8.159 -3.174 -2.798 1.00 0.00 C ATOM 1081 OH TYR A 449 -7.321 -4.087 -3.353 1.00 0.00 O ATOM 0 H TYR A 449 -9.001 1.262 0.228 1.00 0.00 H new ATOM 0 HA TYR A 449 -10.222 1.410 -2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 449 -10.761 -0.288 0.023 1.00 0.00 H new ATOM 0 HB3 TYR A 449 -11.757 -0.316 -1.418 1.00 0.00 H new ATOM 0 HD1 TYR A 449 -8.460 -1.238 0.002 1.00 0.00 H new ATOM 0 HD2 TYR A 449 -11.027 -1.435 -3.452 1.00 0.00 H new ATOM 0 HE1 TYR A 449 -6.977 -2.961 -1.001 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -9.555 -3.172 -4.454 1.00 0.00 H new ATOM 0 HH TYR A 449 -7.537 -4.195 -4.303 1.00 0.00 H new ATOM 1091 N ASP A 450 -12.541 2.283 -1.556 1.00 0.00 N ATOM 1092 CA ASP A 450 -13.718 3.058 -1.136 1.00 0.00 C ATOM 1093 C ASP A 450 -14.551 2.381 -0.024 1.00 0.00 C ATOM 1094 O ASP A 450 -15.522 2.969 0.455 1.00 0.00 O ATOM 1095 CB ASP A 450 -14.566 3.424 -2.370 1.00 0.00 C ATOM 1096 CG ASP A 450 -15.246 2.251 -3.104 1.00 0.00 C ATOM 1097 OD1 ASP A 450 -15.156 1.084 -2.656 1.00 0.00 O ATOM 1098 OD2 ASP A 450 -15.865 2.519 -4.161 1.00 0.00 O ATOM 0 H ASP A 450 -12.696 1.739 -2.405 1.00 0.00 H new ATOM 0 HA ASP A 450 -13.354 3.975 -0.674 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -15.339 4.126 -2.058 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -13.927 3.948 -3.081 1.00 0.00 H new ATOM 1103 N ASN A 451 -14.172 1.170 0.416 1.00 0.00 N ATOM 1104 CA ASN A 451 -14.884 0.385 1.428 1.00 0.00 C ATOM 1105 C ASN A 451 -13.956 -0.648 2.117 1.00 0.00 C ATOM 1106 O ASN A 451 -12.938 -1.041 1.534 1.00 0.00 O ATOM 1107 CB ASN A 451 -16.100 -0.293 0.766 1.00 0.00 C ATOM 1108 CG ASN A 451 -15.691 -1.537 -0.012 1.00 0.00 C ATOM 1109 OD1 ASN A 451 -15.585 -2.614 0.562 1.00 0.00 O ATOM 1110 ND2 ASN A 451 -15.386 -1.424 -1.287 1.00 0.00 N ATOM 0 H ASN A 451 -13.338 0.700 0.065 1.00 0.00 H new ATOM 0 HA ASN A 451 -15.230 1.052 2.218 1.00 0.00 H new ATOM 0 HB2 ASN A 451 -16.828 -0.564 1.531 1.00 0.00 H new ATOM 0 HB3 ASN A 451 -16.590 0.412 0.095 1.00 0.00 H new ATOM 0 HD21 ASN A 451 -15.058 -2.238 -1.807 1.00 0.00 H new ATOM 0 HD22 ASN A 451 -15.478 -0.523 -1.755 1.00 0.00 H new ATOM 1117 N PRO A 452 -14.301 -1.128 3.331 1.00 0.00 N ATOM 1118 CA PRO A 452 -13.436 -2.005 4.114 1.00 0.00 C ATOM 1119 C PRO A 452 -13.495 -3.484 3.699 1.00 0.00 C ATOM 1120 O PRO A 452 -12.570 -4.225 4.021 1.00 0.00 O ATOM 1121 CB PRO A 452 -13.867 -1.796 5.565 1.00 0.00 C ATOM 1122 CG PRO A 452 -15.356 -1.483 5.447 1.00 0.00 C ATOM 1123 CD PRO A 452 -15.472 -0.747 4.112 1.00 0.00 C ATOM 0 HA PRO A 452 -12.390 -1.748 3.950 1.00 0.00 H new ATOM 0 HB2 PRO A 452 -13.690 -2.685 6.169 1.00 0.00 H new ATOM 0 HB3 PRO A 452 -13.320 -0.978 6.033 1.00 0.00 H new ATOM 0 HG2 PRO A 452 -15.957 -2.392 5.456 1.00 0.00 H new ATOM 0 HG3 PRO A 452 -15.701 -0.865 6.276 1.00 0.00 H new ATOM 0 HD2 PRO A 452 -16.391 -1.023 3.595 1.00 0.00 H new ATOM 0 HD3 PRO A 452 -15.503 0.332 4.264 1.00 0.00 H new ATOM 1131 N VAL A 453 -14.527 -3.922 2.962 1.00 0.00 N ATOM 1132 CA VAL A 453 -14.666 -5.322 2.515 1.00 0.00 C ATOM 1133 C VAL A 453 -13.673 -5.620 1.384 1.00 0.00 C ATOM 1134 O VAL A 453 -13.055 -6.681 1.386 1.00 0.00 O ATOM 1135 CB VAL A 453 -16.113 -5.659 2.076 1.00 0.00 C ATOM 1136 CG1 VAL A 453 -16.266 -7.144 1.700 1.00 0.00 C ATOM 1137 CG2 VAL A 453 -17.125 -5.335 3.193 1.00 0.00 C ATOM 0 H VAL A 453 -15.290 -3.318 2.658 1.00 0.00 H new ATOM 0 HA VAL A 453 -14.437 -5.960 3.368 1.00 0.00 H new ATOM 0 HB VAL A 453 -16.317 -5.043 1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -17.295 -7.339 1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -15.595 -7.381 0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -16.017 -7.765 2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -18.131 -5.582 2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -16.886 -5.920 4.081 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -17.074 -4.273 3.434 1.00 0.00 H new ATOM 1147 N SER A 454 -13.446 -4.675 0.464 1.00 0.00 N ATOM 1148 CA SER A 454 -12.440 -4.827 -0.600 1.00 0.00 C ATOM 1149 C SER A 454 -11.006 -4.846 -0.047 1.00 0.00 C ATOM 1150 O SER A 454 -10.179 -5.648 -0.483 1.00 0.00 O ATOM 1151 CB SER A 454 -12.594 -3.697 -1.626 1.00 0.00 C ATOM 1152 OG SER A 454 -13.873 -3.730 -2.247 1.00 0.00 O ATOM 0 H SER A 454 -13.949 -3.788 0.434 1.00 0.00 H new ATOM 0 HA SER A 454 -12.614 -5.790 -1.081 1.00 0.00 H new ATOM 0 HB2 SER A 454 -12.452 -2.735 -1.134 1.00 0.00 H new ATOM 0 HB3 SER A 454 -11.817 -3.785 -2.385 1.00 0.00 H new ATOM 0 HG SER A 454 -13.990 -4.586 -2.710 1.00 0.00 H new ATOM 1158 N ALA A 455 -10.726 -4.029 0.976 1.00 0.00 N ATOM 1159 CA ALA A 455 -9.446 -4.020 1.684 1.00 0.00 C ATOM 1160 C ALA A 455 -9.192 -5.336 2.443 1.00 0.00 C ATOM 1161 O ALA A 455 -8.139 -5.951 2.276 1.00 0.00 O ATOM 1162 CB ALA A 455 -9.437 -2.793 2.600 1.00 0.00 C ATOM 0 H ALA A 455 -11.393 -3.348 1.338 1.00 0.00 H new ATOM 0 HA ALA A 455 -8.622 -3.951 0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -8.494 -2.753 3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -9.547 -1.890 2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -10.263 -2.861 3.307 1.00 0.00 H new ATOM 1168 N GLN A 456 -10.169 -5.818 3.219 1.00 0.00 N ATOM 1169 CA GLN A 456 -10.116 -7.136 3.862 1.00 0.00 C ATOM 1170 C GLN A 456 -9.906 -8.280 2.860 1.00 0.00 C ATOM 1171 O GLN A 456 -9.036 -9.123 3.079 1.00 0.00 O ATOM 1172 CB GLN A 456 -11.402 -7.364 4.678 1.00 0.00 C ATOM 1173 CG GLN A 456 -11.309 -6.780 6.099 1.00 0.00 C ATOM 1174 CD GLN A 456 -10.284 -7.495 6.989 1.00 0.00 C ATOM 1175 OE1 GLN A 456 -9.861 -8.619 6.740 1.00 0.00 O ATOM 1176 NE2 GLN A 456 -9.828 -6.867 8.053 1.00 0.00 N ATOM 0 H GLN A 456 -11.025 -5.301 3.420 1.00 0.00 H new ATOM 0 HA GLN A 456 -9.250 -7.142 4.524 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -12.245 -6.910 4.156 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -11.604 -8.433 4.740 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -11.047 -5.724 6.033 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -12.290 -6.836 6.571 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -10.167 -5.932 8.277 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -9.136 -7.316 8.653 1.00 0.00 H new ATOM 1185 N ALA A 457 -10.636 -8.293 1.739 1.00 0.00 N ATOM 1186 CA ALA A 457 -10.478 -9.301 0.687 1.00 0.00 C ATOM 1187 C ALA A 457 -9.068 -9.297 0.070 1.00 0.00 C ATOM 1188 O ALA A 457 -8.542 -10.361 -0.268 1.00 0.00 O ATOM 1189 CB ALA A 457 -11.561 -9.078 -0.375 1.00 0.00 C ATOM 0 H ALA A 457 -11.357 -7.600 1.536 1.00 0.00 H new ATOM 0 HA ALA A 457 -10.598 -10.289 1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 457 -11.455 -9.822 -1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 457 -12.545 -9.173 0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 457 -11.454 -8.080 -0.800 1.00 0.00 H new ATOM 1195 N ALA A 458 -8.425 -8.128 -0.016 1.00 0.00 N ATOM 1196 CA ALA A 458 -7.039 -8.009 -0.454 1.00 0.00 C ATOM 1197 C ALA A 458 -6.050 -8.516 0.608 1.00 0.00 C ATOM 1198 O ALA A 458 -5.149 -9.269 0.254 1.00 0.00 O ATOM 1199 CB ALA A 458 -6.775 -6.561 -0.862 1.00 0.00 C ATOM 0 H ALA A 458 -8.858 -7.235 0.219 1.00 0.00 H new ATOM 0 HA ALA A 458 -6.879 -8.651 -1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -5.741 -6.459 -1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -7.445 -6.285 -1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -6.950 -5.905 -0.009 1.00 0.00 H new ATOM 1205 N ILE A 459 -6.232 -8.217 1.903 1.00 0.00 N ATOM 1206 CA ILE A 459 -5.388 -8.780 2.987 1.00 0.00 C ATOM 1207 C ILE A 459 -5.442 -10.309 2.949 1.00 0.00 C ATOM 1208 O ILE A 459 -4.409 -10.978 2.970 1.00 0.00 O ATOM 1209 CB ILE A 459 -5.828 -8.266 4.385 1.00 0.00 C ATOM 1210 CG1 ILE A 459 -5.605 -6.745 4.501 1.00 0.00 C ATOM 1211 CG2 ILE A 459 -5.066 -8.999 5.513 1.00 0.00 C ATOM 1212 CD1 ILE A 459 -6.186 -6.127 5.781 1.00 0.00 C ATOM 0 H ILE A 459 -6.960 -7.584 2.235 1.00 0.00 H new ATOM 0 HA ILE A 459 -4.364 -8.446 2.819 1.00 0.00 H new ATOM 0 HB ILE A 459 -6.892 -8.476 4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 459 -4.535 -6.541 4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 459 -6.053 -6.255 3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 459 -5.394 -8.619 6.480 1.00 0.00 H new ATOM 0 HG22 ILE A 459 -5.270 -10.068 5.455 1.00 0.00 H new ATOM 0 HG23 ILE A 459 -3.996 -8.827 5.400 1.00 0.00 H new ATOM 0 HD11 ILE A 459 -5.989 -5.055 5.789 1.00 0.00 H new ATOM 0 HD12 ILE A 459 -7.262 -6.298 5.812 1.00 0.00 H new ATOM 0 HD13 ILE A 459 -5.720 -6.588 6.652 1.00 0.00 H new ATOM 1224 N GLN A 460 -6.656 -10.844 2.849 1.00 0.00 N ATOM 1225 CA GLN A 460 -6.952 -12.271 2.905 1.00 0.00 C ATOM 1226 C GLN A 460 -6.475 -13.045 1.660 1.00 0.00 C ATOM 1227 O GLN A 460 -6.414 -14.274 1.700 1.00 0.00 O ATOM 1228 CB GLN A 460 -8.465 -12.416 3.134 1.00 0.00 C ATOM 1229 CG GLN A 460 -8.868 -12.026 4.572 1.00 0.00 C ATOM 1230 CD GLN A 460 -10.384 -12.018 4.789 1.00 0.00 C ATOM 1231 OE1 GLN A 460 -11.120 -12.877 4.315 1.00 0.00 O ATOM 1232 NE2 GLN A 460 -10.921 -11.062 5.521 1.00 0.00 N ATOM 0 H GLN A 460 -7.492 -10.273 2.722 1.00 0.00 H new ATOM 0 HA GLN A 460 -6.395 -12.721 3.727 1.00 0.00 H new ATOM 0 HB2 GLN A 460 -9.002 -11.788 2.423 1.00 0.00 H new ATOM 0 HB3 GLN A 460 -8.765 -13.446 2.939 1.00 0.00 H new ATOM 0 HG2 GLN A 460 -8.410 -12.724 5.273 1.00 0.00 H new ATOM 0 HG3 GLN A 460 -8.469 -11.037 4.799 1.00 0.00 H new ATOM 0 HE21 GLN A 460 -10.329 -10.336 5.926 1.00 0.00 H new ATOM 0 HE22 GLN A 460 -11.928 -11.048 5.682 1.00 0.00 H new ATOM 1241 N SER A 461 -6.095 -12.361 0.575 1.00 0.00 N ATOM 1242 CA SER A 461 -5.500 -12.977 -0.624 1.00 0.00 C ATOM 1243 C SER A 461 -4.004 -12.653 -0.826 1.00 0.00 C ATOM 1244 O SER A 461 -3.283 -13.459 -1.422 1.00 0.00 O ATOM 1245 CB SER A 461 -6.308 -12.553 -1.859 1.00 0.00 C ATOM 1246 OG SER A 461 -6.051 -13.398 -2.975 1.00 0.00 O ATOM 0 H SER A 461 -6.192 -11.348 0.501 1.00 0.00 H new ATOM 0 HA SER A 461 -5.546 -14.056 -0.479 1.00 0.00 H new ATOM 0 HB2 SER A 461 -7.372 -12.576 -1.623 1.00 0.00 H new ATOM 0 HB3 SER A 461 -6.062 -11.523 -2.118 1.00 0.00 H new ATOM 0 HG SER A 461 -6.583 -13.099 -3.741 1.00 0.00 H new ATOM 1252 N MET A 462 -3.518 -11.501 -0.337 1.00 0.00 N ATOM 1253 CA MET A 462 -2.178 -10.972 -0.644 1.00 0.00 C ATOM 1254 C MET A 462 -1.168 -11.098 0.501 1.00 0.00 C ATOM 1255 O MET A 462 0.036 -11.075 0.247 1.00 0.00 O ATOM 1256 CB MET A 462 -2.271 -9.509 -1.111 1.00 0.00 C ATOM 1257 CG MET A 462 -3.133 -9.340 -2.371 1.00 0.00 C ATOM 1258 SD MET A 462 -2.632 -10.323 -3.811 1.00 0.00 S ATOM 1259 CE MET A 462 -1.023 -9.570 -4.123 1.00 0.00 C ATOM 0 H MET A 462 -4.052 -10.902 0.292 1.00 0.00 H new ATOM 0 HA MET A 462 -1.795 -11.600 -1.448 1.00 0.00 H new ATOM 0 HB2 MET A 462 -2.687 -8.902 -0.307 1.00 0.00 H new ATOM 0 HB3 MET A 462 -1.268 -9.131 -1.309 1.00 0.00 H new ATOM 0 HG2 MET A 462 -4.162 -9.596 -2.121 1.00 0.00 H new ATOM 0 HG3 MET A 462 -3.126 -8.287 -2.654 1.00 0.00 H new ATOM 0 HE1 MET A 462 -0.628 -9.935 -5.071 1.00 0.00 H new ATOM 0 HE2 MET A 462 -1.131 -8.486 -4.168 1.00 0.00 H new ATOM 0 HE3 MET A 462 -0.336 -9.833 -3.319 1.00 0.00 H new ATOM 1269 N ASN A 463 -1.609 -11.275 1.750 1.00 0.00 N ATOM 1270 CA ASN A 463 -0.695 -11.553 2.859 1.00 0.00 C ATOM 1271 C ASN A 463 -0.127 -12.983 2.730 1.00 0.00 C ATOM 1272 O ASN A 463 -0.865 -13.965 2.836 1.00 0.00 O ATOM 1273 CB ASN A 463 -1.416 -11.310 4.195 1.00 0.00 C ATOM 1274 CG ASN A 463 -0.428 -11.268 5.353 1.00 0.00 C ATOM 1275 OD1 ASN A 463 0.467 -10.430 5.382 1.00 0.00 O ATOM 1276 ND2 ASN A 463 -0.543 -12.158 6.319 1.00 0.00 N ATOM 0 H ASN A 463 -2.592 -11.231 2.017 1.00 0.00 H new ATOM 0 HA ASN A 463 0.157 -10.874 2.826 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -1.967 -10.370 4.149 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -2.147 -12.100 4.366 1.00 0.00 H new ATOM 0 HD21 ASN A 463 0.115 -12.153 7.098 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -1.290 -12.852 6.287 1.00 0.00 H new ATOM 1283 N GLY A 464 1.179 -13.098 2.456 1.00 0.00 N ATOM 1284 CA GLY A 464 1.872 -14.354 2.127 1.00 0.00 C ATOM 1285 C GLY A 464 1.956 -14.665 0.624 1.00 0.00 C ATOM 1286 O GLY A 464 2.399 -15.756 0.265 1.00 0.00 O ATOM 0 H GLY A 464 1.805 -12.293 2.457 1.00 0.00 H new ATOM 0 HA2 GLY A 464 2.883 -14.313 2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 464 1.361 -15.177 2.627 1.00 0.00 H new ATOM 1290 N PHE A 465 1.565 -13.735 -0.259 1.00 0.00 N ATOM 1291 CA PHE A 465 1.704 -13.874 -1.715 1.00 0.00 C ATOM 1292 C PHE A 465 3.186 -13.865 -2.117 1.00 0.00 C ATOM 1293 O PHE A 465 3.909 -12.922 -1.787 1.00 0.00 O ATOM 1294 CB PHE A 465 0.930 -12.733 -2.391 1.00 0.00 C ATOM 1295 CG PHE A 465 0.974 -12.714 -3.908 1.00 0.00 C ATOM 1296 CD1 PHE A 465 2.002 -12.029 -4.589 1.00 0.00 C ATOM 1297 CD2 PHE A 465 -0.041 -13.354 -4.645 1.00 0.00 C ATOM 1298 CE1 PHE A 465 2.011 -11.985 -5.995 1.00 0.00 C ATOM 1299 CE2 PHE A 465 -0.029 -13.312 -6.050 1.00 0.00 C ATOM 1300 CZ PHE A 465 0.995 -12.625 -6.726 1.00 0.00 C ATOM 0 H PHE A 465 1.137 -12.853 0.023 1.00 0.00 H new ATOM 0 HA PHE A 465 1.290 -14.828 -2.042 1.00 0.00 H new ATOM 0 HB2 PHE A 465 -0.112 -12.790 -2.077 1.00 0.00 H new ATOM 0 HB3 PHE A 465 1.322 -11.785 -2.023 1.00 0.00 H new ATOM 0 HD1 PHE A 465 2.784 -11.537 -4.030 1.00 0.00 H new ATOM 0 HD2 PHE A 465 -0.831 -13.879 -4.129 1.00 0.00 H new ATOM 0 HE1 PHE A 465 2.799 -11.459 -6.513 1.00 0.00 H new ATOM 0 HE2 PHE A 465 -0.807 -13.808 -6.611 1.00 0.00 H new ATOM 0 HZ PHE A 465 1.001 -12.589 -7.805 1.00 0.00 H new ATOM 1310 N GLN A 466 3.654 -14.905 -2.811 1.00 0.00 N ATOM 1311 CA GLN A 466 5.060 -15.046 -3.197 1.00 0.00 C ATOM 1312 C GLN A 466 5.353 -14.268 -4.491 1.00 0.00 C ATOM 1313 O GLN A 466 4.615 -14.373 -5.471 1.00 0.00 O ATOM 1314 CB GLN A 466 5.418 -16.539 -3.300 1.00 0.00 C ATOM 1315 CG GLN A 466 6.940 -16.763 -3.354 1.00 0.00 C ATOM 1316 CD GLN A 466 7.351 -18.240 -3.322 1.00 0.00 C ATOM 1317 OE1 GLN A 466 6.601 -19.150 -3.658 1.00 0.00 O ATOM 1318 NE2 GLN A 466 8.562 -18.539 -2.901 1.00 0.00 N ATOM 0 H GLN A 466 3.065 -15.677 -3.123 1.00 0.00 H new ATOM 0 HA GLN A 466 5.699 -14.608 -2.430 1.00 0.00 H new ATOM 0 HB2 GLN A 466 5.003 -17.071 -2.444 1.00 0.00 H new ATOM 0 HB3 GLN A 466 4.957 -16.962 -4.193 1.00 0.00 H new ATOM 0 HG2 GLN A 466 7.333 -16.306 -4.262 1.00 0.00 H new ATOM 0 HG3 GLN A 466 7.403 -16.248 -2.512 1.00 0.00 H new ATOM 0 HE21 GLN A 466 9.201 -17.796 -2.617 1.00 0.00 H new ATOM 0 HE22 GLN A 466 8.861 -19.513 -2.859 1.00 0.00 H new ATOM 1327 N ILE A 467 6.441 -13.490 -4.499 1.00 0.00 N ATOM 1328 CA ILE A 467 6.801 -12.561 -5.579 1.00 0.00 C ATOM 1329 C ILE A 467 8.331 -12.479 -5.723 1.00 0.00 C ATOM 1330 O ILE A 467 9.047 -12.172 -4.766 1.00 0.00 O ATOM 1331 CB ILE A 467 6.098 -11.198 -5.341 1.00 0.00 C ATOM 1332 CG1 ILE A 467 6.106 -10.357 -6.634 1.00 0.00 C ATOM 1333 CG2 ILE A 467 6.660 -10.417 -4.137 1.00 0.00 C ATOM 1334 CD1 ILE A 467 5.279 -9.067 -6.541 1.00 0.00 C ATOM 0 H ILE A 467 7.115 -13.488 -3.733 1.00 0.00 H new ATOM 0 HA ILE A 467 6.442 -12.924 -6.542 1.00 0.00 H new ATOM 0 HB ILE A 467 5.063 -11.416 -5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 467 7.136 -10.100 -6.882 1.00 0.00 H new ATOM 0 HG13 ILE A 467 5.723 -10.965 -7.454 1.00 0.00 H new ATOM 0 HG21 ILE A 467 6.122 -9.475 -4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 467 6.538 -11.009 -3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 467 7.719 -10.214 -4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 467 5.334 -8.531 -7.488 1.00 0.00 H new ATOM 0 HD12 ILE A 467 4.240 -9.316 -6.324 1.00 0.00 H new ATOM 0 HD13 ILE A 467 5.675 -8.437 -5.744 1.00 0.00 H new ATOM 1346 N GLY A 468 8.853 -12.846 -6.899 1.00 0.00 N ATOM 1347 CA GLY A 468 10.293 -12.989 -7.176 1.00 0.00 C ATOM 1348 C GLY A 468 10.900 -14.244 -6.532 1.00 0.00 C ATOM 1349 O GLY A 468 11.405 -15.121 -7.234 1.00 0.00 O ATOM 0 H GLY A 468 8.271 -13.059 -7.710 1.00 0.00 H new ATOM 0 HA2 GLY A 468 10.449 -13.027 -8.254 1.00 0.00 H new ATOM 0 HA3 GLY A 468 10.818 -12.107 -6.809 1.00 0.00 H new ATOM 1353 N MET A 469 10.810 -14.328 -5.200 1.00 0.00 N ATOM 1354 CA MET A 469 11.235 -15.446 -4.336 1.00 0.00 C ATOM 1355 C MET A 469 10.688 -15.278 -2.908 1.00 0.00 C ATOM 1356 O MET A 469 10.215 -16.244 -2.309 1.00 0.00 O ATOM 1357 CB MET A 469 12.774 -15.551 -4.325 1.00 0.00 C ATOM 1358 CG MET A 469 13.268 -16.796 -3.573 1.00 0.00 C ATOM 1359 SD MET A 469 15.071 -16.980 -3.498 1.00 0.00 S ATOM 1360 CE MET A 469 15.427 -17.384 -5.229 1.00 0.00 C ATOM 0 H MET A 469 10.410 -13.565 -4.654 1.00 0.00 H new ATOM 0 HA MET A 469 10.825 -16.371 -4.741 1.00 0.00 H new ATOM 0 HB2 MET A 469 13.141 -15.579 -5.351 1.00 0.00 H new ATOM 0 HB3 MET A 469 13.194 -14.659 -3.861 1.00 0.00 H new ATOM 0 HG2 MET A 469 12.878 -16.766 -2.556 1.00 0.00 H new ATOM 0 HG3 MET A 469 12.847 -17.681 -4.050 1.00 0.00 H new ATOM 0 HE1 MET A 469 16.475 -17.668 -5.328 1.00 0.00 H new ATOM 0 HE2 MET A 469 14.795 -18.213 -5.547 1.00 0.00 H new ATOM 0 HE3 MET A 469 15.226 -16.514 -5.854 1.00 0.00 H new ATOM 1370 N LYS A 470 10.710 -14.050 -2.381 1.00 0.00 N ATOM 1371 CA LYS A 470 10.158 -13.677 -1.067 1.00 0.00 C ATOM 1372 C LYS A 470 8.616 -13.567 -1.061 1.00 0.00 C ATOM 1373 O LYS A 470 7.971 -13.696 -2.103 1.00 0.00 O ATOM 1374 CB LYS A 470 10.871 -12.406 -0.577 1.00 0.00 C ATOM 1375 CG LYS A 470 10.632 -11.160 -1.445 1.00 0.00 C ATOM 1376 CD LYS A 470 11.436 -9.998 -0.855 1.00 0.00 C ATOM 1377 CE LYS A 470 11.255 -8.731 -1.699 1.00 0.00 C ATOM 1378 NZ LYS A 470 11.961 -7.564 -1.105 1.00 0.00 N ATOM 0 H LYS A 470 11.126 -13.258 -2.871 1.00 0.00 H new ATOM 0 HA LYS A 470 10.356 -14.480 -0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 470 10.544 -12.192 0.440 1.00 0.00 H new ATOM 0 HB3 LYS A 470 11.942 -12.601 -0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 470 10.939 -11.350 -2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 470 9.571 -10.913 -1.470 1.00 0.00 H new ATOM 0 HD2 LYS A 470 11.113 -9.808 0.169 1.00 0.00 H new ATOM 0 HD3 LYS A 470 12.492 -10.265 -0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 470 11.631 -8.909 -2.706 1.00 0.00 H new ATOM 0 HE3 LYS A 470 10.193 -8.505 -1.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 11.463 -6.688 -1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 11.978 -7.659 -0.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 12.936 -7.528 -1.466 1.00 0.00 H new ATOM 1392 N ARG A 471 8.013 -13.321 0.112 1.00 0.00 N ATOM 1393 CA ARG A 471 6.557 -13.184 0.296 1.00 0.00 C ATOM 1394 C ARG A 471 6.159 -11.795 0.804 1.00 0.00 C ATOM 1395 O ARG A 471 6.806 -11.245 1.696 1.00 0.00 O ATOM 1396 CB ARG A 471 6.030 -14.269 1.251 1.00 0.00 C ATOM 1397 CG ARG A 471 5.878 -15.612 0.526 1.00 0.00 C ATOM 1398 CD ARG A 471 5.263 -16.690 1.427 1.00 0.00 C ATOM 1399 NE ARG A 471 4.796 -17.837 0.629 1.00 0.00 N ATOM 1400 CZ ARG A 471 5.534 -18.804 0.095 1.00 0.00 C ATOM 1401 NH1 ARG A 471 6.836 -18.881 0.281 1.00 0.00 N ATOM 1402 NH2 ARG A 471 4.959 -19.716 -0.656 1.00 0.00 N ATOM 0 H ARG A 471 8.535 -13.209 0.981 1.00 0.00 H new ATOM 0 HA ARG A 471 6.100 -13.313 -0.685 1.00 0.00 H new ATOM 0 HB2 ARG A 471 6.714 -14.381 2.093 1.00 0.00 H new ATOM 0 HB3 ARG A 471 5.068 -13.962 1.661 1.00 0.00 H new ATOM 0 HG2 ARG A 471 5.252 -15.478 -0.356 1.00 0.00 H new ATOM 0 HG3 ARG A 471 6.855 -15.947 0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 471 6.001 -17.025 2.156 1.00 0.00 H new ATOM 0 HD3 ARG A 471 4.429 -16.268 1.988 1.00 0.00 H new ATOM 0 HE ARG A 471 3.790 -17.895 0.468 1.00 0.00 H new ATOM 0 HH11 ARG A 471 7.312 -18.183 0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 471 7.368 -19.639 -0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 471 3.954 -19.678 -0.825 1.00 0.00 H new ATOM 0 HH22 ARG A 471 5.518 -20.462 -1.070 1.00 0.00 H new ATOM 1416 N LEU A 472 5.070 -11.257 0.248 1.00 0.00 N ATOM 1417 CA LEU A 472 4.437 -10.005 0.670 1.00 0.00 C ATOM 1418 C LEU A 472 3.831 -10.122 2.069 1.00 0.00 C ATOM 1419 O LEU A 472 3.314 -11.167 2.467 1.00 0.00 O ATOM 1420 CB LEU A 472 3.336 -9.603 -0.333 1.00 0.00 C ATOM 1421 CG LEU A 472 3.821 -9.262 -1.753 1.00 0.00 C ATOM 1422 CD1 LEU A 472 2.626 -8.855 -2.622 1.00 0.00 C ATOM 1423 CD2 LEU A 472 4.845 -8.120 -1.746 1.00 0.00 C ATOM 0 H LEU A 472 4.588 -11.697 -0.536 1.00 0.00 H new ATOM 0 HA LEU A 472 5.212 -9.239 0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 472 2.616 -10.419 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 472 2.803 -8.740 0.066 1.00 0.00 H new ATOM 0 HG LEU A 472 4.303 -10.151 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 472 2.972 -8.614 -3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 472 1.914 -9.679 -2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 472 2.140 -7.982 -2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 472 5.162 -7.910 -2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 472 4.391 -7.227 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 472 5.710 -8.411 -1.150 1.00 0.00 H new ATOM 1435 N LYS A 473 3.837 -9.001 2.781 1.00 0.00 N ATOM 1436 CA LYS A 473 3.207 -8.800 4.085 1.00 0.00 C ATOM 1437 C LYS A 473 2.189 -7.655 3.944 1.00 0.00 C ATOM 1438 O LYS A 473 2.542 -6.596 3.428 1.00 0.00 O ATOM 1439 CB LYS A 473 4.347 -8.509 5.075 1.00 0.00 C ATOM 1440 CG LYS A 473 3.905 -8.095 6.483 1.00 0.00 C ATOM 1441 CD LYS A 473 5.147 -7.850 7.353 1.00 0.00 C ATOM 1442 CE LYS A 473 4.732 -7.449 8.771 1.00 0.00 C ATOM 1443 NZ LYS A 473 5.912 -7.180 9.633 1.00 0.00 N ATOM 0 H LYS A 473 4.307 -8.160 2.447 1.00 0.00 H new ATOM 0 HA LYS A 473 2.653 -9.663 4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 473 4.972 -9.399 5.155 1.00 0.00 H new ATOM 0 HB3 LYS A 473 4.972 -7.717 4.661 1.00 0.00 H new ATOM 0 HG2 LYS A 473 3.297 -7.192 6.435 1.00 0.00 H new ATOM 0 HG3 LYS A 473 3.285 -8.874 6.926 1.00 0.00 H new ATOM 0 HD2 LYS A 473 5.759 -8.751 7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 473 5.760 -7.065 6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 473 4.102 -6.560 8.728 1.00 0.00 H new ATOM 0 HE3 LYS A 473 4.132 -8.244 9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 5.592 -6.911 10.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 6.500 -8.036 9.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 6.471 -6.404 9.224 1.00 0.00 H new ATOM 1457 N VAL A 474 0.930 -7.857 4.335 1.00 0.00 N ATOM 1458 CA VAL A 474 -0.174 -6.914 4.058 1.00 0.00 C ATOM 1459 C VAL A 474 -1.088 -6.805 5.275 1.00 0.00 C ATOM 1460 O VAL A 474 -1.522 -7.818 5.823 1.00 0.00 O ATOM 1461 CB VAL A 474 -0.998 -7.292 2.800 1.00 0.00 C ATOM 1462 CG1 VAL A 474 -1.958 -6.146 2.433 1.00 0.00 C ATOM 1463 CG2 VAL A 474 -0.112 -7.599 1.580 1.00 0.00 C ATOM 0 H VAL A 474 0.637 -8.683 4.857 1.00 0.00 H new ATOM 0 HA VAL A 474 0.284 -5.947 3.851 1.00 0.00 H new ATOM 0 HB VAL A 474 -1.552 -8.196 3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 474 -2.532 -6.421 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -2.639 -5.961 3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 474 -1.384 -5.243 2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 474 -0.742 -7.857 0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 474 0.487 -6.722 1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 474 0.547 -8.436 1.811 1.00 0.00 H new ATOM 1473 N GLN A 475 -1.354 -5.571 5.703 1.00 0.00 N ATOM 1474 CA GLN A 475 -2.075 -5.232 6.932 1.00 0.00 C ATOM 1475 C GLN A 475 -2.866 -3.928 6.740 1.00 0.00 C ATOM 1476 O GLN A 475 -2.624 -3.177 5.793 1.00 0.00 O ATOM 1477 CB GLN A 475 -1.070 -5.071 8.094 1.00 0.00 C ATOM 1478 CG GLN A 475 -0.337 -6.367 8.488 1.00 0.00 C ATOM 1479 CD GLN A 475 0.617 -6.160 9.664 1.00 0.00 C ATOM 1480 OE1 GLN A 475 1.829 -6.071 9.507 1.00 0.00 O ATOM 1481 NE2 GLN A 475 0.124 -6.082 10.884 1.00 0.00 N ATOM 0 H GLN A 475 -1.061 -4.745 5.181 1.00 0.00 H new ATOM 0 HA GLN A 475 -2.774 -6.034 7.168 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -0.330 -4.320 7.817 1.00 0.00 H new ATOM 0 HB3 GLN A 475 -1.600 -4.689 8.966 1.00 0.00 H new ATOM 0 HG2 GLN A 475 -1.069 -7.131 8.748 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.223 -6.740 7.630 1.00 0.00 H new ATOM 0 HE21 GLN A 475 -0.882 -6.154 11.033 1.00 0.00 H new ATOM 0 HE22 GLN A 475 0.749 -5.950 11.679 1.00 0.00 H new ATOM 1490 N LEU A 476 -3.793 -3.631 7.657 1.00 0.00 N ATOM 1491 CA LEU A 476 -4.451 -2.322 7.718 1.00 0.00 C ATOM 1492 C LEU A 476 -3.438 -1.228 8.109 1.00 0.00 C ATOM 1493 O LEU A 476 -2.499 -1.460 8.878 1.00 0.00 O ATOM 1494 CB LEU A 476 -5.625 -2.358 8.722 1.00 0.00 C ATOM 1495 CG LEU A 476 -6.802 -3.294 8.365 1.00 0.00 C ATOM 1496 CD1 LEU A 476 -7.810 -3.303 9.523 1.00 0.00 C ATOM 1497 CD2 LEU A 476 -7.526 -2.873 7.078 1.00 0.00 C ATOM 0 H LEU A 476 -4.106 -4.286 8.373 1.00 0.00 H new ATOM 0 HA LEU A 476 -4.848 -2.086 6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 476 -5.234 -2.655 9.695 1.00 0.00 H new ATOM 0 HB3 LEU A 476 -6.014 -1.345 8.831 1.00 0.00 H new ATOM 0 HG LEU A 476 -6.385 -4.287 8.198 1.00 0.00 H new ATOM 0 HD11 LEU A 476 -8.642 -3.962 9.276 1.00 0.00 H new ATOM 0 HD12 LEU A 476 -7.320 -3.661 10.429 1.00 0.00 H new ATOM 0 HD13 LEU A 476 -8.184 -2.292 9.688 1.00 0.00 H new ATOM 0 HD21 LEU A 476 -8.343 -3.566 6.877 1.00 0.00 H new ATOM 0 HD22 LEU A 476 -7.926 -1.866 7.198 1.00 0.00 H new ATOM 0 HD23 LEU A 476 -6.824 -2.888 6.244 1.00 0.00 H new ATOM 1509 N LYS A 477 -3.655 -0.013 7.604 1.00 0.00 N ATOM 1510 CA LYS A 477 -2.950 1.212 8.010 1.00 0.00 C ATOM 1511 C LYS A 477 -3.012 1.422 9.544 1.00 0.00 C ATOM 1512 O LYS A 477 -4.039 1.126 10.166 1.00 0.00 O ATOM 1513 CB LYS A 477 -3.627 2.368 7.246 1.00 0.00 C ATOM 1514 CG LYS A 477 -3.100 3.785 7.520 1.00 0.00 C ATOM 1515 CD LYS A 477 -1.665 4.003 7.032 1.00 0.00 C ATOM 1516 CE LYS A 477 -1.257 5.450 7.312 1.00 0.00 C ATOM 1517 NZ LYS A 477 0.140 5.702 6.891 1.00 0.00 N ATOM 0 H LYS A 477 -4.349 0.155 6.876 1.00 0.00 H new ATOM 0 HA LYS A 477 -1.889 1.154 7.768 1.00 0.00 H new ATOM 0 HB2 LYS A 477 -3.531 2.171 6.178 1.00 0.00 H new ATOM 0 HB3 LYS A 477 -4.692 2.351 7.479 1.00 0.00 H new ATOM 0 HG2 LYS A 477 -3.755 4.509 7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 477 -3.146 3.981 8.591 1.00 0.00 H new ATOM 0 HD2 LYS A 477 -0.987 3.316 7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 477 -1.594 3.792 5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 477 -1.927 6.128 6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 477 -1.363 5.661 8.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 0.206 6.642 6.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 0.765 5.665 7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 0.432 4.977 6.205 1.00 0.00 H new