USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 582 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 473 LYS NZ :NH3+ 166:sc= 0.857 (180deg=0) USER MOD Set 1.2: A 475 GLN : amide:sc= 0.754 K(o=1.6,f=-2.5) USER MOD Set 2.1: A 419 GLN : amide:sc= -0.0825 X(o=-0.083,f=-0.39) USER MOD Set 2.2: A 422 MET CE :methyl -153:sc= 0 (180deg=-0.856) USER MOD Set 3.1: A 402 ASN : amide:sc= 0.206 K(o=2,f=-1.1!) USER MOD Set 3.2: A 448 SER OG : rot 26:sc= 1.78 USER MOD Set 4.1: A 394 GLN : amide:sc= 0 K(o=0.8,f=0.1) USER MOD Set 4.2: A 431 LYS NZ :NH3+ 148:sc= 0.799 (180deg=0.265) USER MOD Set 5.1: A 393 SER OG : rot 130:sc= 0.544 USER MOD Set 5.2: A 395 LYS NZ :NH3+ 156:sc= 1.49 (180deg=0.803) USER MOD Set 5.3: A 429 SER OG : rot 171:sc= 0.123 USER MOD Single : A 406 TYR OH : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 410 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 415 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 420 MET CE :methyl 169:sc= 0 (180deg=-0.167) USER MOD Single : A 426 ASN : amide:sc= -0.0152 K(o=-0.015,f=-0.87) USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 449 TYR OH : rot -155:sc= 1.07 USER MOD Single : A 451 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 454 SER OG : rot 180:sc= 0 USER MOD Single : A 456 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 460 GLN : amide:sc= 0.296 X(o=0.3,f=0) USER MOD Single : A 461 SER OG : rot 88:sc= 1.06 USER MOD Single : A 462 MET CE :methyl -160:sc= 0 (180deg=-0.408) USER MOD Single : A 463 ASN : amide:sc= 0.844 K(o=0.84,f=-6.5!) USER MOD Single : A 466 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 477 LYS NZ :NH3+ -173:sc= 1.16 (180deg=1.07) USER MOD ----------------------------------------------------------------- ATOM 182 N ALA A 391 -9.963 1.939 -2.409 1.00 0.00 N ATOM 183 CA ALA A 391 -9.819 0.596 -1.835 1.00 0.00 C ATOM 184 C ALA A 391 -10.164 -0.496 -2.865 1.00 0.00 C ATOM 185 O ALA A 391 -11.218 -0.463 -3.505 1.00 0.00 O ATOM 186 CB ALA A 391 -10.700 0.493 -0.584 1.00 0.00 C ATOM 0 HA ALA A 391 -8.779 0.435 -1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -10.600 -0.502 -0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -10.386 1.240 0.145 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -11.741 0.667 -0.857 1.00 0.00 H new ATOM 192 N GLY A 392 -9.247 -1.452 -3.028 1.00 0.00 N ATOM 193 CA GLY A 392 -9.316 -2.545 -4.002 1.00 0.00 C ATOM 194 C GLY A 392 -8.758 -2.164 -5.375 1.00 0.00 C ATOM 195 O GLY A 392 -8.633 -3.032 -6.238 1.00 0.00 O ATOM 0 H GLY A 392 -8.400 -1.488 -2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -8.763 -3.402 -3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -10.354 -2.859 -4.113 1.00 0.00 H new ATOM 199 N SER A 393 -8.406 -0.896 -5.588 1.00 0.00 N ATOM 200 CA SER A 393 -7.988 -0.376 -6.892 1.00 0.00 C ATOM 201 C SER A 393 -6.507 -0.642 -7.210 1.00 0.00 C ATOM 202 O SER A 393 -5.680 -0.839 -6.317 1.00 0.00 O ATOM 203 CB SER A 393 -8.284 1.123 -6.973 1.00 0.00 C ATOM 204 OG SER A 393 -8.348 1.522 -8.332 1.00 0.00 O ATOM 0 H SER A 393 -8.403 -0.191 -4.851 1.00 0.00 H new ATOM 0 HA SER A 393 -8.565 -0.914 -7.644 1.00 0.00 H new ATOM 0 HB2 SER A 393 -9.227 1.345 -6.473 1.00 0.00 H new ATOM 0 HB3 SER A 393 -7.508 1.686 -6.454 1.00 0.00 H new ATOM 0 HG SER A 393 -9.170 2.033 -8.485 1.00 0.00 H new ATOM 210 N GLN A 394 -6.166 -0.637 -8.502 1.00 0.00 N ATOM 211 CA GLN A 394 -4.824 -0.939 -9.021 1.00 0.00 C ATOM 212 C GLN A 394 -4.309 0.154 -9.982 1.00 0.00 C ATOM 213 O GLN A 394 -3.312 -0.041 -10.679 1.00 0.00 O ATOM 214 CB GLN A 394 -4.822 -2.357 -9.628 1.00 0.00 C ATOM 215 CG GLN A 394 -4.915 -3.437 -8.532 1.00 0.00 C ATOM 216 CD GLN A 394 -5.027 -4.857 -9.087 1.00 0.00 C ATOM 217 OE1 GLN A 394 -6.007 -5.558 -8.863 1.00 0.00 O ATOM 218 NE2 GLN A 394 -4.039 -5.352 -9.805 1.00 0.00 N ATOM 0 H GLN A 394 -6.835 -0.416 -9.240 1.00 0.00 H new ATOM 0 HA GLN A 394 -4.108 -0.932 -8.199 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -5.661 -2.461 -10.316 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -3.912 -2.504 -10.210 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -4.034 -3.373 -7.893 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -5.781 -3.232 -7.902 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -3.216 -4.782 -10.001 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -4.097 -6.305 -10.165 1.00 0.00 H new ATOM 227 N LYS A 395 -4.961 1.326 -10.008 1.00 0.00 N ATOM 228 CA LYS A 395 -4.436 2.532 -10.670 1.00 0.00 C ATOM 229 C LYS A 395 -3.234 3.095 -9.878 1.00 0.00 C ATOM 230 O LYS A 395 -2.975 2.676 -8.745 1.00 0.00 O ATOM 231 CB LYS A 395 -5.509 3.639 -10.721 1.00 0.00 C ATOM 232 CG LYS A 395 -6.941 3.237 -11.112 1.00 0.00 C ATOM 233 CD LYS A 395 -7.918 4.425 -10.990 1.00 0.00 C ATOM 234 CE LYS A 395 -7.825 5.204 -9.662 1.00 0.00 C ATOM 235 NZ LYS A 395 -8.172 4.375 -8.480 1.00 0.00 N ATOM 0 H LYS A 395 -5.871 1.466 -9.569 1.00 0.00 H new ATOM 0 HA LYS A 395 -4.138 2.246 -11.679 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -5.550 4.110 -9.739 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -5.171 4.400 -11.425 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -6.948 2.863 -12.136 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -7.278 2.421 -10.473 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -7.734 5.115 -11.814 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -8.936 4.054 -11.107 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -6.813 5.591 -9.544 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -8.492 6.065 -9.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -7.724 4.776 -7.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -9.204 4.365 -8.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -7.831 3.403 -8.625 1.00 0.00 H new ATOM 249 N GLU A 396 -2.592 4.145 -10.391 1.00 0.00 N ATOM 250 CA GLU A 396 -1.601 4.920 -9.645 1.00 0.00 C ATOM 251 C GLU A 396 -1.496 6.368 -10.144 1.00 0.00 C ATOM 252 O GLU A 396 -1.866 6.681 -11.280 1.00 0.00 O ATOM 253 CB GLU A 396 -0.238 4.199 -9.646 1.00 0.00 C ATOM 254 CG GLU A 396 0.403 4.066 -11.035 1.00 0.00 C ATOM 255 CD GLU A 396 1.721 3.282 -10.978 1.00 0.00 C ATOM 256 OE1 GLU A 396 1.713 2.091 -10.586 1.00 0.00 O ATOM 257 OE2 GLU A 396 2.780 3.825 -11.367 1.00 0.00 O ATOM 0 H GLU A 396 -2.746 4.483 -11.341 1.00 0.00 H new ATOM 0 HA GLU A 396 -1.941 4.987 -8.611 1.00 0.00 H new ATOM 0 HB2 GLU A 396 0.447 4.740 -8.993 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -0.366 3.204 -9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -0.291 3.564 -11.709 1.00 0.00 H new ATOM 0 HG3 GLU A 396 0.587 5.058 -11.448 1.00 0.00 H new ATOM 264 N GLY A 397 -0.999 7.247 -9.269 1.00 0.00 N ATOM 265 CA GLY A 397 -0.762 8.669 -9.537 1.00 0.00 C ATOM 266 C GLY A 397 0.576 8.938 -10.251 1.00 0.00 C ATOM 267 O GLY A 397 1.106 8.035 -10.910 1.00 0.00 O ATOM 0 H GLY A 397 -0.741 6.978 -8.319 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -1.577 9.057 -10.148 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -0.780 9.217 -8.595 1.00 0.00 H new ATOM 271 N PRO A 398 1.132 10.164 -10.149 1.00 0.00 N ATOM 272 CA PRO A 398 2.396 10.526 -10.790 1.00 0.00 C ATOM 273 C PRO A 398 3.574 9.744 -10.192 1.00 0.00 C ATOM 274 O PRO A 398 3.485 9.204 -9.090 1.00 0.00 O ATOM 275 CB PRO A 398 2.538 12.040 -10.596 1.00 0.00 C ATOM 276 CG PRO A 398 1.748 12.313 -9.318 1.00 0.00 C ATOM 277 CD PRO A 398 0.610 11.297 -9.391 1.00 0.00 C ATOM 0 HA PRO A 398 2.401 10.270 -11.849 1.00 0.00 H new ATOM 0 HB2 PRO A 398 3.582 12.335 -10.493 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.133 12.593 -11.444 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.360 12.170 -8.427 1.00 0.00 H new ATOM 0 HG3 PRO A 398 1.374 13.336 -9.286 1.00 0.00 H new ATOM 0 HD2 PRO A 398 0.297 10.989 -8.393 1.00 0.00 H new ATOM 0 HD3 PRO A 398 -0.265 11.725 -9.881 1.00 0.00 H new ATOM 285 N GLU A 399 4.689 9.673 -10.924 1.00 0.00 N ATOM 286 CA GLU A 399 5.880 8.931 -10.499 1.00 0.00 C ATOM 287 C GLU A 399 6.472 9.530 -9.208 1.00 0.00 C ATOM 288 O GLU A 399 6.769 10.726 -9.136 1.00 0.00 O ATOM 289 CB GLU A 399 6.905 8.908 -11.644 1.00 0.00 C ATOM 290 CG GLU A 399 8.105 8.002 -11.341 1.00 0.00 C ATOM 291 CD GLU A 399 9.071 7.963 -12.534 1.00 0.00 C ATOM 292 OE1 GLU A 399 8.909 7.092 -13.422 1.00 0.00 O ATOM 293 OE2 GLU A 399 10.001 8.803 -12.593 1.00 0.00 O ATOM 0 H GLU A 399 4.792 10.129 -11.830 1.00 0.00 H new ATOM 0 HA GLU A 399 5.601 7.903 -10.268 1.00 0.00 H new ATOM 0 HB2 GLU A 399 6.417 8.566 -12.557 1.00 0.00 H new ATOM 0 HB3 GLU A 399 7.258 9.922 -11.832 1.00 0.00 H new ATOM 0 HG2 GLU A 399 8.627 8.365 -10.456 1.00 0.00 H new ATOM 0 HG3 GLU A 399 7.758 6.994 -11.115 1.00 0.00 H new ATOM 300 N GLY A 400 6.619 8.688 -8.178 1.00 0.00 N ATOM 301 CA GLY A 400 7.026 9.079 -6.819 1.00 0.00 C ATOM 302 C GLY A 400 5.855 9.208 -5.839 1.00 0.00 C ATOM 303 O GLY A 400 6.082 9.325 -4.637 1.00 0.00 O ATOM 0 H GLY A 400 6.454 7.686 -8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.731 8.342 -6.434 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.555 10.031 -6.867 1.00 0.00 H new ATOM 307 N ALA A 401 4.611 9.139 -6.326 1.00 0.00 N ATOM 308 CA ALA A 401 3.388 9.098 -5.517 1.00 0.00 C ATOM 309 C ALA A 401 2.880 7.661 -5.281 1.00 0.00 C ATOM 310 O ALA A 401 1.692 7.459 -5.038 1.00 0.00 O ATOM 311 CB ALA A 401 2.332 9.988 -6.188 1.00 0.00 C ATOM 0 H ALA A 401 4.422 9.109 -7.328 1.00 0.00 H new ATOM 0 HA ALA A 401 3.607 9.484 -4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 401 1.414 9.970 -5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 401 2.704 11.011 -6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 401 2.127 9.616 -7.192 1.00 0.00 H new ATOM 317 N ASN A 402 3.755 6.658 -5.399 1.00 0.00 N ATOM 318 CA ASN A 402 3.411 5.231 -5.461 1.00 0.00 C ATOM 319 C ASN A 402 4.204 4.448 -4.394 1.00 0.00 C ATOM 320 O ASN A 402 5.437 4.440 -4.416 1.00 0.00 O ATOM 321 CB ASN A 402 3.665 4.696 -6.894 1.00 0.00 C ATOM 322 CG ASN A 402 3.805 5.782 -7.966 1.00 0.00 C ATOM 323 OD1 ASN A 402 4.909 6.163 -8.342 1.00 0.00 O ATOM 324 ND2 ASN A 402 2.712 6.353 -8.437 1.00 0.00 N ATOM 0 H ASN A 402 4.760 6.822 -5.456 1.00 0.00 H new ATOM 0 HA ASN A 402 2.353 5.093 -5.240 1.00 0.00 H new ATOM 0 HB2 ASN A 402 4.573 4.092 -6.887 1.00 0.00 H new ATOM 0 HB3 ASN A 402 2.844 4.034 -7.171 1.00 0.00 H new ATOM 0 HD21 ASN A 402 2.785 7.112 -9.114 1.00 0.00 H new ATOM 0 HD22 ASN A 402 1.795 6.035 -8.123 1.00 0.00 H new ATOM 331 N LEU A 403 3.495 3.811 -3.454 1.00 0.00 N ATOM 332 CA LEU A 403 4.030 3.209 -2.226 1.00 0.00 C ATOM 333 C LEU A 403 3.649 1.733 -2.078 1.00 0.00 C ATOM 334 O LEU A 403 2.498 1.363 -2.319 1.00 0.00 O ATOM 335 CB LEU A 403 3.449 3.931 -0.989 1.00 0.00 C ATOM 336 CG LEU A 403 3.495 5.466 -0.949 1.00 0.00 C ATOM 337 CD1 LEU A 403 2.981 5.934 0.417 1.00 0.00 C ATOM 338 CD2 LEU A 403 4.909 5.995 -1.184 1.00 0.00 C ATOM 0 H LEU A 403 2.485 3.696 -3.533 1.00 0.00 H new ATOM 0 HA LEU A 403 5.114 3.304 -2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 403 2.407 3.628 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 403 3.977 3.560 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 403 2.865 5.857 -1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 403 3.007 7.023 0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 403 1.957 5.589 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 403 3.613 5.523 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 403 4.901 7.084 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 403 5.574 5.612 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 403 5.263 5.667 -2.161 1.00 0.00 H new ATOM 350 N PHE A 404 4.581 0.928 -1.568 1.00 0.00 N ATOM 351 CA PHE A 404 4.358 -0.446 -1.113 1.00 0.00 C ATOM 352 C PHE A 404 4.585 -0.521 0.403 1.00 0.00 C ATOM 353 O PHE A 404 5.544 0.044 0.933 1.00 0.00 O ATOM 354 CB PHE A 404 5.260 -1.421 -1.876 1.00 0.00 C ATOM 355 CG PHE A 404 4.787 -1.702 -3.289 1.00 0.00 C ATOM 356 CD1 PHE A 404 5.132 -0.832 -4.339 1.00 0.00 C ATOM 357 CD2 PHE A 404 3.975 -2.825 -3.549 1.00 0.00 C ATOM 358 CE1 PHE A 404 4.673 -1.088 -5.644 1.00 0.00 C ATOM 359 CE2 PHE A 404 3.524 -3.083 -4.856 1.00 0.00 C ATOM 360 CZ PHE A 404 3.875 -2.215 -5.905 1.00 0.00 C ATOM 0 H PHE A 404 5.550 1.226 -1.456 1.00 0.00 H new ATOM 0 HA PHE A 404 3.329 -0.739 -1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 404 6.271 -1.015 -1.914 1.00 0.00 H new ATOM 0 HB3 PHE A 404 5.314 -2.360 -1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 404 5.749 0.032 -4.143 1.00 0.00 H new ATOM 0 HD2 PHE A 404 3.699 -3.488 -2.743 1.00 0.00 H new ATOM 0 HE1 PHE A 404 4.935 -0.416 -6.448 1.00 0.00 H new ATOM 0 HE2 PHE A 404 2.908 -3.948 -5.054 1.00 0.00 H new ATOM 0 HZ PHE A 404 3.532 -2.414 -6.910 1.00 0.00 H new ATOM 370 N ILE A 405 3.661 -1.185 1.098 1.00 0.00 N ATOM 371 CA ILE A 405 3.539 -1.231 2.563 1.00 0.00 C ATOM 372 C ILE A 405 3.655 -2.695 2.999 1.00 0.00 C ATOM 373 O ILE A 405 3.014 -3.559 2.408 1.00 0.00 O ATOM 374 CB ILE A 405 2.178 -0.639 3.020 1.00 0.00 C ATOM 375 CG1 ILE A 405 1.940 0.861 2.717 1.00 0.00 C ATOM 376 CG2 ILE A 405 2.029 -0.786 4.549 1.00 0.00 C ATOM 377 CD1 ILE A 405 1.843 1.289 1.251 1.00 0.00 C ATOM 0 H ILE A 405 2.938 -1.735 0.634 1.00 0.00 H new ATOM 0 HA ILE A 405 4.328 -0.634 3.021 1.00 0.00 H new ATOM 0 HB ILE A 405 1.453 -1.209 2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 405 1.017 1.160 3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 405 2.749 1.428 3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 405 1.072 -0.369 4.863 1.00 0.00 H new ATOM 0 HG22 ILE A 405 2.071 -1.841 4.819 1.00 0.00 H new ATOM 0 HG23 ILE A 405 2.839 -0.252 5.046 1.00 0.00 H new ATOM 0 HD11 ILE A 405 1.676 2.365 1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 405 2.771 1.040 0.737 1.00 0.00 H new ATOM 0 HD13 ILE A 405 1.013 0.768 0.774 1.00 0.00 H new ATOM 389 N TYR A 406 4.438 -2.975 4.038 1.00 0.00 N ATOM 390 CA TYR A 406 4.759 -4.333 4.504 1.00 0.00 C ATOM 391 C TYR A 406 4.612 -4.493 6.029 1.00 0.00 C ATOM 392 O TYR A 406 4.658 -3.516 6.779 1.00 0.00 O ATOM 393 CB TYR A 406 6.189 -4.699 4.072 1.00 0.00 C ATOM 394 CG TYR A 406 6.521 -4.507 2.602 1.00 0.00 C ATOM 395 CD1 TYR A 406 6.952 -3.249 2.131 1.00 0.00 C ATOM 396 CD2 TYR A 406 6.444 -5.596 1.712 1.00 0.00 C ATOM 397 CE1 TYR A 406 7.312 -3.079 0.781 1.00 0.00 C ATOM 398 CE2 TYR A 406 6.796 -5.432 0.358 1.00 0.00 C ATOM 399 CZ TYR A 406 7.238 -4.175 -0.111 1.00 0.00 C ATOM 400 OH TYR A 406 7.600 -4.029 -1.416 1.00 0.00 O ATOM 0 H TYR A 406 4.882 -2.247 4.598 1.00 0.00 H new ATOM 0 HA TYR A 406 4.040 -5.012 4.046 1.00 0.00 H new ATOM 0 HB2 TYR A 406 6.887 -4.103 4.660 1.00 0.00 H new ATOM 0 HB3 TYR A 406 6.367 -5.743 4.329 1.00 0.00 H new ATOM 0 HD1 TYR A 406 7.006 -2.411 2.810 1.00 0.00 H new ATOM 0 HD2 TYR A 406 6.114 -6.560 2.069 1.00 0.00 H new ATOM 0 HE1 TYR A 406 7.644 -2.114 0.427 1.00 0.00 H new ATOM 0 HE2 TYR A 406 6.728 -6.268 -0.322 1.00 0.00 H new ATOM 0 HH TYR A 406 7.488 -4.883 -1.884 1.00 0.00 H new ATOM 410 N HIS A 407 4.447 -5.745 6.475 1.00 0.00 N ATOM 411 CA HIS A 407 4.251 -6.195 7.867 1.00 0.00 C ATOM 412 C HIS A 407 2.844 -5.870 8.430 1.00 0.00 C ATOM 413 O HIS A 407 2.665 -5.703 9.640 1.00 0.00 O ATOM 414 CB HIS A 407 5.407 -5.735 8.774 1.00 0.00 C ATOM 415 CG HIS A 407 6.768 -6.117 8.259 1.00 0.00 C ATOM 416 ND1 HIS A 407 7.282 -7.414 8.206 1.00 0.00 N ATOM 417 CD2 HIS A 407 7.693 -5.251 7.758 1.00 0.00 C ATOM 418 CE1 HIS A 407 8.511 -7.292 7.676 1.00 0.00 C ATOM 419 NE2 HIS A 407 8.787 -6.005 7.398 1.00 0.00 N ATOM 0 H HIS A 407 4.446 -6.532 5.826 1.00 0.00 H new ATOM 0 HA HIS A 407 4.283 -7.284 7.855 1.00 0.00 H new ATOM 0 HB2 HIS A 407 5.361 -4.652 8.885 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.271 -6.163 9.767 1.00 0.00 H new ATOM 0 HD2 HIS A 407 7.588 -4.180 7.662 1.00 0.00 H new ATOM 0 HE1 HIS A 407 9.186 -8.116 7.497 1.00 0.00 H new ATOM 0 HE2 HIS A 407 9.653 -5.651 6.992 1.00 0.00 H new ATOM 427 N LEU A 408 1.840 -5.765 7.551 1.00 0.00 N ATOM 428 CA LEU A 408 0.447 -5.450 7.907 1.00 0.00 C ATOM 429 C LEU A 408 -0.193 -6.586 8.736 1.00 0.00 C ATOM 430 O LEU A 408 0.169 -7.748 8.530 1.00 0.00 O ATOM 431 CB LEU A 408 -0.374 -5.187 6.625 1.00 0.00 C ATOM 432 CG LEU A 408 -0.036 -3.866 5.905 1.00 0.00 C ATOM 433 CD1 LEU A 408 -0.663 -3.863 4.503 1.00 0.00 C ATOM 434 CD2 LEU A 408 -0.556 -2.652 6.694 1.00 0.00 C ATOM 0 H LEU A 408 1.974 -5.899 6.549 1.00 0.00 H new ATOM 0 HA LEU A 408 0.446 -4.552 8.524 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -0.216 -6.014 5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -1.433 -5.185 6.882 1.00 0.00 H new ATOM 0 HG LEU A 408 1.049 -3.792 5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.421 -2.928 3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -0.268 -4.699 3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -1.745 -3.960 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -0.302 -1.736 6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -1.639 -2.723 6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -0.096 -2.636 7.682 1.00 0.00 H new ATOM 446 N PRO A 409 -1.147 -6.286 9.643 1.00 0.00 N ATOM 447 CA PRO A 409 -1.920 -7.301 10.360 1.00 0.00 C ATOM 448 C PRO A 409 -2.688 -8.232 9.411 1.00 0.00 C ATOM 449 O PRO A 409 -3.133 -7.810 8.344 1.00 0.00 O ATOM 450 CB PRO A 409 -2.885 -6.527 11.267 1.00 0.00 C ATOM 451 CG PRO A 409 -2.217 -5.167 11.444 1.00 0.00 C ATOM 452 CD PRO A 409 -1.527 -4.954 10.100 1.00 0.00 C ATOM 0 HA PRO A 409 -1.258 -7.953 10.929 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -3.870 -6.431 10.811 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -3.024 -7.031 12.224 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -2.944 -4.383 11.654 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -1.504 -5.170 12.269 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -2.195 -4.470 9.388 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -0.653 -4.311 10.205 1.00 0.00 H new ATOM 460 N GLN A 410 -2.902 -9.487 9.821 1.00 0.00 N ATOM 461 CA GLN A 410 -3.653 -10.483 9.034 1.00 0.00 C ATOM 462 C GLN A 410 -5.165 -10.189 8.921 1.00 0.00 C ATOM 463 O GLN A 410 -5.876 -10.839 8.153 1.00 0.00 O ATOM 464 CB GLN A 410 -3.403 -11.886 9.610 1.00 0.00 C ATOM 465 CG GLN A 410 -3.987 -12.117 11.016 1.00 0.00 C ATOM 466 CD GLN A 410 -3.711 -13.538 11.513 1.00 0.00 C ATOM 467 OE1 GLN A 410 -2.628 -13.863 11.985 1.00 0.00 O ATOM 468 NE2 GLN A 410 -4.668 -14.442 11.428 1.00 0.00 N ATOM 0 H GLN A 410 -2.559 -9.846 10.712 1.00 0.00 H new ATOM 0 HA GLN A 410 -3.277 -10.425 8.012 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -3.827 -12.624 8.929 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -2.328 -12.064 9.644 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -3.557 -11.397 11.712 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -5.062 -11.939 10.998 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -5.576 -14.189 11.038 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -4.500 -15.394 11.753 1.00 0.00 H new ATOM 477 N GLU A 411 -5.653 -9.213 9.690 1.00 0.00 N ATOM 478 CA GLU A 411 -7.043 -8.735 9.700 1.00 0.00 C ATOM 479 C GLU A 411 -7.282 -7.471 8.850 1.00 0.00 C ATOM 480 O GLU A 411 -8.432 -7.101 8.602 1.00 0.00 O ATOM 481 CB GLU A 411 -7.490 -8.512 11.152 1.00 0.00 C ATOM 482 CG GLU A 411 -6.763 -7.375 11.886 1.00 0.00 C ATOM 483 CD GLU A 411 -7.259 -7.262 13.335 1.00 0.00 C ATOM 484 OE1 GLU A 411 -8.243 -6.527 13.588 1.00 0.00 O ATOM 485 OE2 GLU A 411 -6.667 -7.907 14.233 1.00 0.00 O ATOM 0 H GLU A 411 -5.065 -8.709 10.354 1.00 0.00 H new ATOM 0 HA GLU A 411 -7.648 -9.510 9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -8.560 -8.304 11.159 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -7.342 -9.437 11.709 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -5.688 -7.558 11.877 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -6.930 -6.433 11.364 1.00 0.00 H new ATOM 492 N PHE A 412 -6.211 -6.812 8.394 1.00 0.00 N ATOM 493 CA PHE A 412 -6.276 -5.622 7.537 1.00 0.00 C ATOM 494 C PHE A 412 -6.674 -5.984 6.098 1.00 0.00 C ATOM 495 O PHE A 412 -6.025 -6.811 5.452 1.00 0.00 O ATOM 496 CB PHE A 412 -4.931 -4.866 7.555 1.00 0.00 C ATOM 497 CG PHE A 412 -4.897 -3.648 8.458 1.00 0.00 C ATOM 498 CD1 PHE A 412 -5.226 -3.762 9.822 1.00 0.00 C ATOM 499 CD2 PHE A 412 -4.543 -2.390 7.929 1.00 0.00 C ATOM 500 CE1 PHE A 412 -5.206 -2.626 10.652 1.00 0.00 C ATOM 501 CE2 PHE A 412 -4.528 -1.255 8.758 1.00 0.00 C ATOM 502 CZ PHE A 412 -4.861 -1.372 10.119 1.00 0.00 C ATOM 0 H PHE A 412 -5.256 -7.096 8.614 1.00 0.00 H new ATOM 0 HA PHE A 412 -7.049 -4.967 7.939 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -4.147 -5.555 7.869 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -4.692 -4.554 6.538 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -5.495 -4.724 10.233 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -4.283 -2.298 6.885 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -5.456 -2.718 11.699 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -4.260 -0.292 8.349 1.00 0.00 H new ATOM 0 HZ PHE A 412 -4.852 -0.499 10.755 1.00 0.00 H new ATOM 512 N GLY A 413 -7.719 -5.323 5.593 1.00 0.00 N ATOM 513 CA GLY A 413 -8.136 -5.334 4.188 1.00 0.00 C ATOM 514 C GLY A 413 -7.848 -4.003 3.492 1.00 0.00 C ATOM 515 O GLY A 413 -7.204 -3.108 4.041 1.00 0.00 O ATOM 0 H GLY A 413 -8.322 -4.742 6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 413 -7.618 -6.137 3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -9.203 -5.550 4.129 1.00 0.00 H new ATOM 519 N ASP A 414 -8.350 -3.866 2.266 1.00 0.00 N ATOM 520 CA ASP A 414 -8.081 -2.716 1.390 1.00 0.00 C ATOM 521 C ASP A 414 -8.617 -1.387 1.954 1.00 0.00 C ATOM 522 O ASP A 414 -8.010 -0.336 1.753 1.00 0.00 O ATOM 523 CB ASP A 414 -8.703 -2.973 0.011 1.00 0.00 C ATOM 524 CG ASP A 414 -8.337 -4.343 -0.571 1.00 0.00 C ATOM 525 OD1 ASP A 414 -7.263 -4.445 -1.205 1.00 0.00 O ATOM 526 OD2 ASP A 414 -9.111 -5.305 -0.365 1.00 0.00 O ATOM 0 H ASP A 414 -8.966 -4.560 1.842 1.00 0.00 H new ATOM 0 HA ASP A 414 -6.998 -2.616 1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -9.788 -2.897 0.089 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -8.377 -2.194 -0.678 1.00 0.00 H new ATOM 531 N GLN A 415 -9.736 -1.441 2.685 1.00 0.00 N ATOM 532 CA GLN A 415 -10.350 -0.277 3.331 1.00 0.00 C ATOM 533 C GLN A 415 -9.626 0.112 4.628 1.00 0.00 C ATOM 534 O GLN A 415 -9.563 1.295 4.957 1.00 0.00 O ATOM 535 CB GLN A 415 -11.836 -0.554 3.614 1.00 0.00 C ATOM 536 CG GLN A 415 -12.672 -0.700 2.330 1.00 0.00 C ATOM 537 CD GLN A 415 -14.165 -0.912 2.611 1.00 0.00 C ATOM 538 OE1 GLN A 415 -14.572 -1.608 3.534 1.00 0.00 O ATOM 539 NE2 GLN A 415 -15.048 -0.321 1.829 1.00 0.00 N ATOM 0 H GLN A 415 -10.248 -2.308 2.846 1.00 0.00 H new ATOM 0 HA GLN A 415 -10.261 0.565 2.644 1.00 0.00 H new ATOM 0 HB2 GLN A 415 -11.925 -1.466 4.205 1.00 0.00 H new ATOM 0 HB3 GLN A 415 -12.244 0.258 4.217 1.00 0.00 H new ATOM 0 HG2 GLN A 415 -12.546 0.192 1.717 1.00 0.00 H new ATOM 0 HG3 GLN A 415 -12.294 -1.541 1.750 1.00 0.00 H new ATOM 0 HE21 GLN A 415 -14.733 0.263 1.054 1.00 0.00 H new ATOM 0 HE22 GLN A 415 -16.046 -0.448 1.999 1.00 0.00 H new ATOM 548 N ASP A 416 -9.030 -0.848 5.344 1.00 0.00 N ATOM 549 CA ASP A 416 -8.238 -0.574 6.549 1.00 0.00 C ATOM 550 C ASP A 416 -6.919 0.119 6.183 1.00 0.00 C ATOM 551 O ASP A 416 -6.530 1.094 6.830 1.00 0.00 O ATOM 552 CB ASP A 416 -7.966 -1.871 7.323 1.00 0.00 C ATOM 553 CG ASP A 416 -9.254 -2.600 7.725 1.00 0.00 C ATOM 554 OD1 ASP A 416 -9.914 -2.168 8.700 1.00 0.00 O ATOM 555 OD2 ASP A 416 -9.585 -3.613 7.066 1.00 0.00 O ATOM 0 H ASP A 416 -9.083 -1.838 5.104 1.00 0.00 H new ATOM 0 HA ASP A 416 -8.812 0.095 7.190 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -7.354 -2.533 6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -7.389 -1.641 8.218 1.00 0.00 H new ATOM 560 N LEU A 417 -6.274 -0.325 5.094 1.00 0.00 N ATOM 561 CA LEU A 417 -5.100 0.335 4.531 1.00 0.00 C ATOM 562 C LEU A 417 -5.437 1.729 3.981 1.00 0.00 C ATOM 563 O LEU A 417 -4.655 2.658 4.174 1.00 0.00 O ATOM 564 CB LEU A 417 -4.481 -0.578 3.456 1.00 0.00 C ATOM 565 CG LEU A 417 -3.097 -0.101 2.968 1.00 0.00 C ATOM 566 CD1 LEU A 417 -2.058 -0.142 4.098 1.00 0.00 C ATOM 567 CD2 LEU A 417 -2.624 -0.989 1.812 1.00 0.00 C ATOM 0 H LEU A 417 -6.559 -1.159 4.580 1.00 0.00 H new ATOM 0 HA LEU A 417 -4.367 0.497 5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 417 -4.388 -1.587 3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 417 -5.159 -0.634 2.604 1.00 0.00 H new ATOM 0 HG LEU A 417 -3.197 0.931 2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 417 -1.095 0.200 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 417 -2.380 0.508 4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 417 -1.961 -1.163 4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 417 -1.646 -0.650 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 417 -2.551 -2.022 2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 417 -3.338 -0.928 0.991 1.00 0.00 H new ATOM 579 N LEU A 418 -6.612 1.910 3.362 1.00 0.00 N ATOM 580 CA LEU A 418 -7.082 3.224 2.912 1.00 0.00 C ATOM 581 C LEU A 418 -7.271 4.182 4.095 1.00 0.00 C ATOM 582 O LEU A 418 -6.727 5.284 4.077 1.00 0.00 O ATOM 583 CB LEU A 418 -8.379 3.059 2.095 1.00 0.00 C ATOM 584 CG LEU A 418 -8.978 4.387 1.591 1.00 0.00 C ATOM 585 CD1 LEU A 418 -8.034 5.139 0.644 1.00 0.00 C ATOM 586 CD2 LEU A 418 -10.315 4.124 0.889 1.00 0.00 C ATOM 0 H LEU A 418 -7.261 1.150 3.160 1.00 0.00 H new ATOM 0 HA LEU A 418 -6.324 3.669 2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -8.177 2.416 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -9.120 2.548 2.709 1.00 0.00 H new ATOM 0 HG LEU A 418 -9.132 5.021 2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -8.506 6.066 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -7.104 5.368 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -7.820 4.518 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -10.732 5.067 0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -10.156 3.457 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -11.009 3.660 1.590 1.00 0.00 H new ATOM 598 N GLN A 419 -8.008 3.771 5.131 1.00 0.00 N ATOM 599 CA GLN A 419 -8.268 4.605 6.311 1.00 0.00 C ATOM 600 C GLN A 419 -6.983 4.933 7.093 1.00 0.00 C ATOM 601 O GLN A 419 -6.872 6.020 7.660 1.00 0.00 O ATOM 602 CB GLN A 419 -9.294 3.909 7.220 1.00 0.00 C ATOM 603 CG GLN A 419 -10.726 3.947 6.654 1.00 0.00 C ATOM 604 CD GLN A 419 -11.346 5.349 6.594 1.00 0.00 C ATOM 605 OE1 GLN A 419 -11.003 6.259 7.339 1.00 0.00 O ATOM 606 NE2 GLN A 419 -12.287 5.581 5.702 1.00 0.00 N ATOM 0 H GLN A 419 -8.442 2.849 5.176 1.00 0.00 H new ATOM 0 HA GLN A 419 -8.673 5.555 5.963 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -8.995 2.871 7.367 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -9.284 4.385 8.200 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -10.718 3.523 5.650 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -11.362 3.307 7.265 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -12.587 4.837 5.072 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -12.715 6.505 5.641 1.00 0.00 H new ATOM 615 N MET A 420 -5.988 4.037 7.080 1.00 0.00 N ATOM 616 CA MET A 420 -4.659 4.266 7.662 1.00 0.00 C ATOM 617 C MET A 420 -3.836 5.320 6.895 1.00 0.00 C ATOM 618 O MET A 420 -3.028 6.012 7.515 1.00 0.00 O ATOM 619 CB MET A 420 -3.934 2.911 7.749 1.00 0.00 C ATOM 620 CG MET A 420 -2.491 3.005 8.258 1.00 0.00 C ATOM 621 SD MET A 420 -1.638 1.410 8.349 1.00 0.00 S ATOM 622 CE MET A 420 -2.083 0.941 10.035 1.00 0.00 C ATOM 0 H MET A 420 -6.086 3.114 6.656 1.00 0.00 H new ATOM 0 HA MET A 420 -4.778 4.686 8.661 1.00 0.00 H new ATOM 0 HB2 MET A 420 -4.498 2.251 8.408 1.00 0.00 H new ATOM 0 HB3 MET A 420 -3.930 2.449 6.762 1.00 0.00 H new ATOM 0 HG2 MET A 420 -1.928 3.670 7.603 1.00 0.00 H new ATOM 0 HG3 MET A 420 -2.495 3.461 9.248 1.00 0.00 H new ATOM 0 HE1 MET A 420 -1.812 -0.101 10.206 1.00 0.00 H new ATOM 0 HE2 MET A 420 -1.549 1.576 10.742 1.00 0.00 H new ATOM 0 HE3 MET A 420 -3.157 1.064 10.176 1.00 0.00 H new ATOM 632 N PHE A 421 -4.045 5.472 5.579 1.00 0.00 N ATOM 633 CA PHE A 421 -3.244 6.338 4.699 1.00 0.00 C ATOM 634 C PHE A 421 -3.954 7.636 4.259 1.00 0.00 C ATOM 635 O PHE A 421 -3.285 8.580 3.833 1.00 0.00 O ATOM 636 CB PHE A 421 -2.683 5.502 3.530 1.00 0.00 C ATOM 637 CG PHE A 421 -1.420 4.721 3.886 1.00 0.00 C ATOM 638 CD1 PHE A 421 -1.470 3.643 4.792 1.00 0.00 C ATOM 639 CD2 PHE A 421 -0.172 5.099 3.349 1.00 0.00 C ATOM 640 CE1 PHE A 421 -0.291 2.994 5.198 1.00 0.00 C ATOM 641 CE2 PHE A 421 1.009 4.449 3.752 1.00 0.00 C ATOM 642 CZ PHE A 421 0.952 3.411 4.695 1.00 0.00 C ATOM 0 H PHE A 421 -4.793 4.985 5.085 1.00 0.00 H new ATOM 0 HA PHE A 421 -2.405 6.717 5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 421 -3.449 4.803 3.194 1.00 0.00 H new ATOM 0 HB3 PHE A 421 -2.466 6.165 2.692 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -2.423 3.312 5.178 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -0.122 5.895 2.621 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -0.341 2.173 5.898 1.00 0.00 H new ATOM 0 HE2 PHE A 421 1.959 4.749 3.336 1.00 0.00 H new ATOM 0 HZ PHE A 421 1.861 2.935 5.032 1.00 0.00 H new ATOM 652 N MET A 422 -5.272 7.765 4.456 1.00 0.00 N ATOM 653 CA MET A 422 -6.021 9.020 4.291 1.00 0.00 C ATOM 654 C MET A 422 -5.426 10.263 5.006 1.00 0.00 C ATOM 655 O MET A 422 -5.510 11.343 4.412 1.00 0.00 O ATOM 656 CB MET A 422 -7.465 8.811 4.773 1.00 0.00 C ATOM 657 CG MET A 422 -8.405 8.245 3.705 1.00 0.00 C ATOM 658 SD MET A 422 -10.139 8.351 4.223 1.00 0.00 S ATOM 659 CE MET A 422 -10.930 7.417 2.895 1.00 0.00 C ATOM 0 H MET A 422 -5.862 6.983 4.741 1.00 0.00 H new ATOM 0 HA MET A 422 -5.964 9.247 3.226 1.00 0.00 H new ATOM 0 HB2 MET A 422 -7.457 8.136 5.629 1.00 0.00 H new ATOM 0 HB3 MET A 422 -7.862 9.764 5.122 1.00 0.00 H new ATOM 0 HG2 MET A 422 -8.269 8.792 2.772 1.00 0.00 H new ATOM 0 HG3 MET A 422 -8.147 7.205 3.506 1.00 0.00 H new ATOM 0 HE1 MET A 422 -11.956 7.762 2.769 1.00 0.00 H new ATOM 0 HE2 MET A 422 -10.380 7.568 1.966 1.00 0.00 H new ATOM 0 HE3 MET A 422 -10.932 6.357 3.147 1.00 0.00 H new ATOM 669 N PRO A 423 -4.838 10.177 6.225 1.00 0.00 N ATOM 670 CA PRO A 423 -4.341 11.346 6.960 1.00 0.00 C ATOM 671 C PRO A 423 -3.220 12.145 6.277 1.00 0.00 C ATOM 672 O PRO A 423 -2.988 13.292 6.659 1.00 0.00 O ATOM 673 CB PRO A 423 -3.857 10.815 8.314 1.00 0.00 C ATOM 674 CG PRO A 423 -4.713 9.574 8.531 1.00 0.00 C ATOM 675 CD PRO A 423 -4.834 9.022 7.115 1.00 0.00 C ATOM 0 HA PRO A 423 -5.157 12.065 7.032 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -2.795 10.572 8.294 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.002 11.547 9.108 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.237 8.863 9.207 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -5.685 9.819 8.958 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.002 8.356 6.885 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.749 8.440 7.001 1.00 0.00 H new ATOM 683 N PHE A 424 -2.527 11.569 5.285 1.00 0.00 N ATOM 684 CA PHE A 424 -1.334 12.167 4.664 1.00 0.00 C ATOM 685 C PHE A 424 -1.625 12.869 3.325 1.00 0.00 C ATOM 686 O PHE A 424 -0.761 13.571 2.795 1.00 0.00 O ATOM 687 CB PHE A 424 -0.253 11.084 4.533 1.00 0.00 C ATOM 688 CG PHE A 424 -0.114 10.225 5.778 1.00 0.00 C ATOM 689 CD1 PHE A 424 0.261 10.809 7.002 1.00 0.00 C ATOM 690 CD2 PHE A 424 -0.468 8.864 5.736 1.00 0.00 C ATOM 691 CE1 PHE A 424 0.266 10.039 8.179 1.00 0.00 C ATOM 692 CE2 PHE A 424 -0.437 8.089 6.906 1.00 0.00 C ATOM 693 CZ PHE A 424 -0.085 8.679 8.131 1.00 0.00 C ATOM 0 H PHE A 424 -2.781 10.665 4.886 1.00 0.00 H new ATOM 0 HA PHE A 424 -0.974 12.965 5.313 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -0.489 10.445 3.683 1.00 0.00 H new ATOM 0 HB3 PHE A 424 0.704 11.559 4.318 1.00 0.00 H new ATOM 0 HD1 PHE A 424 0.545 11.850 7.038 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -0.765 8.414 4.800 1.00 0.00 H new ATOM 0 HE1 PHE A 424 0.540 10.493 9.120 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -0.684 7.038 6.864 1.00 0.00 H new ATOM 0 HZ PHE A 424 -0.084 8.088 9.035 1.00 0.00 H new ATOM 703 N GLY A 425 -2.851 12.723 2.807 1.00 0.00 N ATOM 704 CA GLY A 425 -3.374 13.452 1.644 1.00 0.00 C ATOM 705 C GLY A 425 -4.346 12.650 0.780 1.00 0.00 C ATOM 706 O GLY A 425 -4.893 11.631 1.202 1.00 0.00 O ATOM 0 H GLY A 425 -3.530 12.071 3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 425 -3.876 14.354 1.992 1.00 0.00 H new ATOM 0 HA3 GLY A 425 -2.536 13.772 1.025 1.00 0.00 H new ATOM 710 N ASN A 426 -4.580 13.132 -0.442 1.00 0.00 N ATOM 711 CA ASN A 426 -5.560 12.566 -1.374 1.00 0.00 C ATOM 712 C ASN A 426 -5.085 11.217 -1.959 1.00 0.00 C ATOM 713 O ASN A 426 -4.308 11.187 -2.918 1.00 0.00 O ATOM 714 CB ASN A 426 -5.865 13.612 -2.462 1.00 0.00 C ATOM 715 CG ASN A 426 -6.947 13.172 -3.449 1.00 0.00 C ATOM 716 OD1 ASN A 426 -7.669 12.204 -3.240 1.00 0.00 O ATOM 717 ND2 ASN A 426 -7.096 13.883 -4.552 1.00 0.00 N ATOM 0 H ASN A 426 -4.086 13.941 -0.819 1.00 0.00 H new ATOM 0 HA ASN A 426 -6.483 12.338 -0.841 1.00 0.00 H new ATOM 0 HB2 ASN A 426 -6.177 14.541 -1.984 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -4.950 13.829 -3.012 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -7.813 13.627 -5.231 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -6.494 14.688 -4.725 1.00 0.00 H new ATOM 724 N VAL A 427 -5.554 10.106 -1.382 1.00 0.00 N ATOM 725 CA VAL A 427 -5.276 8.737 -1.854 1.00 0.00 C ATOM 726 C VAL A 427 -6.092 8.448 -3.124 1.00 0.00 C ATOM 727 O VAL A 427 -7.313 8.602 -3.137 1.00 0.00 O ATOM 728 CB VAL A 427 -5.570 7.675 -0.763 1.00 0.00 C ATOM 729 CG1 VAL A 427 -5.303 6.254 -1.283 1.00 0.00 C ATOM 730 CG2 VAL A 427 -4.709 7.882 0.495 1.00 0.00 C ATOM 0 H VAL A 427 -6.151 10.129 -0.555 1.00 0.00 H new ATOM 0 HA VAL A 427 -4.213 8.672 -2.085 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.623 7.795 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -5.518 5.532 -0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -5.943 6.055 -2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -4.258 6.166 -1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -4.950 7.115 1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.654 7.812 0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -4.912 8.866 0.917 1.00 0.00 H new ATOM 740 N VAL A 428 -5.403 8.008 -4.177 1.00 0.00 N ATOM 741 CA VAL A 428 -5.961 7.595 -5.479 1.00 0.00 C ATOM 742 C VAL A 428 -6.270 6.091 -5.494 1.00 0.00 C ATOM 743 O VAL A 428 -7.285 5.685 -6.056 1.00 0.00 O ATOM 744 CB VAL A 428 -4.981 7.966 -6.623 1.00 0.00 C ATOM 745 CG1 VAL A 428 -5.300 7.297 -7.972 1.00 0.00 C ATOM 746 CG2 VAL A 428 -4.968 9.490 -6.823 1.00 0.00 C ATOM 0 H VAL A 428 -4.387 7.923 -4.150 1.00 0.00 H new ATOM 0 HA VAL A 428 -6.898 8.129 -5.636 1.00 0.00 H new ATOM 0 HB VAL A 428 -4.007 7.593 -6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -4.567 7.610 -8.716 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -5.262 6.214 -7.859 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -6.297 7.593 -8.298 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -4.278 9.746 -7.627 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -5.970 9.832 -7.082 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -4.646 9.975 -5.901 1.00 0.00 H new ATOM 756 N SER A 429 -5.440 5.272 -4.844 1.00 0.00 N ATOM 757 CA SER A 429 -5.585 3.810 -4.780 1.00 0.00 C ATOM 758 C SER A 429 -5.019 3.261 -3.466 1.00 0.00 C ATOM 759 O SER A 429 -4.035 3.791 -2.950 1.00 0.00 O ATOM 760 CB SER A 429 -4.847 3.138 -5.946 1.00 0.00 C ATOM 761 OG SER A 429 -5.480 3.376 -7.191 1.00 0.00 O ATOM 0 H SER A 429 -4.626 5.613 -4.333 1.00 0.00 H new ATOM 0 HA SER A 429 -6.650 3.588 -4.841 1.00 0.00 H new ATOM 0 HB2 SER A 429 -3.822 3.507 -5.985 1.00 0.00 H new ATOM 0 HB3 SER A 429 -4.792 2.064 -5.768 1.00 0.00 H new ATOM 0 HG SER A 429 -4.902 3.062 -7.917 1.00 0.00 H new ATOM 767 N ALA A 430 -5.612 2.179 -2.956 1.00 0.00 N ATOM 768 CA ALA A 430 -5.174 1.426 -1.782 1.00 0.00 C ATOM 769 C ALA A 430 -5.565 -0.049 -1.959 1.00 0.00 C ATOM 770 O ALA A 430 -6.673 -0.358 -2.400 1.00 0.00 O ATOM 771 CB ALA A 430 -5.801 2.043 -0.526 1.00 0.00 C ATOM 0 H ALA A 430 -6.455 1.785 -3.374 1.00 0.00 H new ATOM 0 HA ALA A 430 -4.091 1.474 -1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 430 -5.478 1.486 0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 430 -5.484 3.082 -0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 430 -6.887 2.001 -0.603 1.00 0.00 H new ATOM 777 N LYS A 431 -4.664 -0.972 -1.630 1.00 0.00 N ATOM 778 CA LYS A 431 -4.801 -2.391 -1.972 1.00 0.00 C ATOM 779 C LYS A 431 -4.040 -3.289 -0.983 1.00 0.00 C ATOM 780 O LYS A 431 -2.899 -2.987 -0.644 1.00 0.00 O ATOM 781 CB LYS A 431 -4.228 -2.558 -3.398 1.00 0.00 C ATOM 782 CG LYS A 431 -4.405 -3.936 -4.057 1.00 0.00 C ATOM 783 CD LYS A 431 -5.843 -4.169 -4.536 1.00 0.00 C ATOM 784 CE LYS A 431 -5.928 -5.441 -5.389 1.00 0.00 C ATOM 785 NZ LYS A 431 -7.293 -5.643 -5.943 1.00 0.00 N ATOM 0 H LYS A 431 -3.811 -0.757 -1.114 1.00 0.00 H new ATOM 0 HA LYS A 431 -5.847 -2.692 -1.922 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -4.693 -1.811 -4.041 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -3.162 -2.331 -3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -3.724 -4.022 -4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -4.130 -4.715 -3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -6.509 -4.255 -3.677 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -6.182 -3.311 -5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -5.209 -5.380 -6.206 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -5.650 -6.304 -4.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -7.226 -6.113 -6.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -7.847 -6.236 -5.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -7.762 -4.721 -6.056 1.00 0.00 H new ATOM 799 N VAL A 432 -4.621 -4.413 -0.571 1.00 0.00 N ATOM 800 CA VAL A 432 -3.956 -5.482 0.194 1.00 0.00 C ATOM 801 C VAL A 432 -4.024 -6.765 -0.632 1.00 0.00 C ATOM 802 O VAL A 432 -5.094 -7.150 -1.105 1.00 0.00 O ATOM 803 CB VAL A 432 -4.596 -5.690 1.586 1.00 0.00 C ATOM 804 CG1 VAL A 432 -3.951 -6.878 2.325 1.00 0.00 C ATOM 805 CG2 VAL A 432 -4.443 -4.435 2.462 1.00 0.00 C ATOM 0 H VAL A 432 -5.601 -4.618 -0.764 1.00 0.00 H new ATOM 0 HA VAL A 432 -2.919 -5.198 0.376 1.00 0.00 H new ATOM 0 HB VAL A 432 -5.653 -5.893 1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 432 -4.422 -6.999 3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 432 -4.088 -7.788 1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 432 -2.886 -6.689 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 432 -4.903 -4.612 3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 432 -3.385 -4.212 2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 432 -4.933 -3.591 1.977 1.00 0.00 H new ATOM 815 N PHE A 433 -2.872 -7.409 -0.823 1.00 0.00 N ATOM 816 CA PHE A 433 -2.745 -8.616 -1.639 1.00 0.00 C ATOM 817 C PHE A 433 -3.146 -9.864 -0.836 1.00 0.00 C ATOM 818 O PHE A 433 -2.888 -9.952 0.365 1.00 0.00 O ATOM 819 CB PHE A 433 -1.322 -8.678 -2.211 1.00 0.00 C ATOM 820 CG PHE A 433 -0.978 -7.468 -3.067 1.00 0.00 C ATOM 821 CD1 PHE A 433 -1.515 -7.343 -4.364 1.00 0.00 C ATOM 822 CD2 PHE A 433 -0.165 -6.441 -2.553 1.00 0.00 C ATOM 823 CE1 PHE A 433 -1.237 -6.201 -5.138 1.00 0.00 C ATOM 824 CE2 PHE A 433 0.121 -5.303 -3.329 1.00 0.00 C ATOM 825 CZ PHE A 433 -0.418 -5.181 -4.621 1.00 0.00 C ATOM 0 H PHE A 433 -1.991 -7.103 -0.410 1.00 0.00 H new ATOM 0 HA PHE A 433 -3.435 -8.584 -2.482 1.00 0.00 H new ATOM 0 HB2 PHE A 433 -0.608 -8.752 -1.390 1.00 0.00 H new ATOM 0 HB3 PHE A 433 -1.215 -9.583 -2.809 1.00 0.00 H new ATOM 0 HD1 PHE A 433 -2.142 -8.126 -4.765 1.00 0.00 H new ATOM 0 HD2 PHE A 433 0.242 -6.527 -1.556 1.00 0.00 H new ATOM 0 HE1 PHE A 433 -1.653 -6.108 -6.130 1.00 0.00 H new ATOM 0 HE2 PHE A 433 0.754 -4.524 -2.932 1.00 0.00 H new ATOM 0 HZ PHE A 433 -0.204 -4.306 -5.216 1.00 0.00 H new ATOM 963 N LYS A 442 -1.545 -11.225 2.590 1.00 0.00 N ATOM 964 CA LYS A 442 -0.115 -11.565 2.534 1.00 0.00 C ATOM 965 C LYS A 442 0.768 -10.753 3.513 1.00 0.00 C ATOM 966 O LYS A 442 1.996 -10.841 3.459 1.00 0.00 O ATOM 967 CB LYS A 442 0.377 -11.431 1.080 1.00 0.00 C ATOM 968 CG LYS A 442 -0.291 -12.419 0.111 1.00 0.00 C ATOM 969 CD LYS A 442 0.352 -12.318 -1.279 1.00 0.00 C ATOM 970 CE LYS A 442 -0.304 -13.311 -2.245 1.00 0.00 C ATOM 971 NZ LYS A 442 0.331 -13.279 -3.589 1.00 0.00 N ATOM 0 HA LYS A 442 -0.014 -12.597 2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 442 0.191 -10.414 0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.456 -11.584 1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 442 -0.192 -13.436 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 442 -1.358 -12.206 0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 442 0.246 -11.303 -1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 442 1.420 -12.522 -1.208 1.00 0.00 H new ATOM 0 HE2 LYS A 442 -0.233 -14.318 -1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 442 -1.365 -13.079 -2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 -0.141 -13.964 -4.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 0.241 -12.325 -3.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 1.338 -13.525 -3.503 1.00 0.00 H new ATOM 985 N CYS A 443 0.152 -9.927 4.370 1.00 0.00 N ATOM 986 CA CYS A 443 0.787 -8.944 5.266 1.00 0.00 C ATOM 987 C CYS A 443 1.505 -7.808 4.503 1.00 0.00 C ATOM 988 O CYS A 443 2.358 -7.128 5.075 1.00 0.00 O ATOM 989 CB CYS A 443 1.700 -9.635 6.299 1.00 0.00 C ATOM 990 SG CYS A 443 0.825 -10.976 7.166 1.00 0.00 S ATOM 0 H CYS A 443 -0.864 -9.925 4.464 1.00 0.00 H new ATOM 0 HA CYS A 443 -0.016 -8.457 5.820 1.00 0.00 H new ATOM 0 HB2 CYS A 443 2.580 -10.037 5.798 1.00 0.00 H new ATOM 0 HB3 CYS A 443 2.053 -8.901 7.023 1.00 0.00 H new ATOM 0 HG CYS A 443 1.627 -11.533 8.024 1.00 0.00 H new ATOM 996 N PHE A 444 1.163 -7.576 3.231 1.00 0.00 N ATOM 997 CA PHE A 444 1.680 -6.465 2.431 1.00 0.00 C ATOM 998 C PHE A 444 0.644 -5.952 1.420 1.00 0.00 C ATOM 999 O PHE A 444 -0.298 -6.656 1.044 1.00 0.00 O ATOM 1000 CB PHE A 444 3.035 -6.825 1.788 1.00 0.00 C ATOM 1001 CG PHE A 444 3.001 -7.781 0.610 1.00 0.00 C ATOM 1002 CD1 PHE A 444 2.759 -7.290 -0.689 1.00 0.00 C ATOM 1003 CD2 PHE A 444 3.279 -9.148 0.793 1.00 0.00 C ATOM 1004 CE1 PHE A 444 2.760 -8.166 -1.789 1.00 0.00 C ATOM 1005 CE2 PHE A 444 3.295 -10.021 -0.310 1.00 0.00 C ATOM 1006 CZ PHE A 444 3.026 -9.533 -1.600 1.00 0.00 C ATOM 0 H PHE A 444 0.507 -8.167 2.721 1.00 0.00 H new ATOM 0 HA PHE A 444 1.870 -5.628 3.103 1.00 0.00 H new ATOM 0 HB2 PHE A 444 3.512 -5.901 1.462 1.00 0.00 H new ATOM 0 HB3 PHE A 444 3.672 -7.258 2.559 1.00 0.00 H new ATOM 0 HD1 PHE A 444 2.572 -6.237 -0.840 1.00 0.00 H new ATOM 0 HD2 PHE A 444 3.481 -9.528 1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 444 2.556 -7.788 -2.780 1.00 0.00 H new ATOM 0 HE2 PHE A 444 3.514 -11.068 -0.165 1.00 0.00 H new ATOM 0 HZ PHE A 444 3.024 -10.207 -2.444 1.00 0.00 H new ATOM 1016 N GLY A 445 0.817 -4.691 1.024 1.00 0.00 N ATOM 1017 CA GLY A 445 -0.121 -3.905 0.227 1.00 0.00 C ATOM 1018 C GLY A 445 0.544 -2.787 -0.574 1.00 0.00 C ATOM 1019 O GLY A 445 1.764 -2.618 -0.558 1.00 0.00 O ATOM 0 H GLY A 445 1.658 -4.165 1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -0.647 -4.569 -0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -0.871 -3.470 0.888 1.00 0.00 H new ATOM 1023 N PHE A 446 -0.285 -2.017 -1.273 1.00 0.00 N ATOM 1024 CA PHE A 446 0.087 -0.899 -2.137 1.00 0.00 C ATOM 1025 C PHE A 446 -0.840 0.298 -1.881 1.00 0.00 C ATOM 1026 O PHE A 446 -2.021 0.115 -1.593 1.00 0.00 O ATOM 1027 CB PHE A 446 0.020 -1.366 -3.601 1.00 0.00 C ATOM 1028 CG PHE A 446 0.212 -0.262 -4.624 1.00 0.00 C ATOM 1029 CD1 PHE A 446 1.507 0.191 -4.928 1.00 0.00 C ATOM 1030 CD2 PHE A 446 -0.900 0.334 -5.252 1.00 0.00 C ATOM 1031 CE1 PHE A 446 1.700 1.229 -5.856 1.00 0.00 C ATOM 1032 CE2 PHE A 446 -0.709 1.373 -6.181 1.00 0.00 C ATOM 1033 CZ PHE A 446 0.590 1.817 -6.486 1.00 0.00 C ATOM 0 H PHE A 446 -1.294 -2.165 -1.251 1.00 0.00 H new ATOM 0 HA PHE A 446 1.104 -0.573 -1.919 1.00 0.00 H new ATOM 0 HB2 PHE A 446 0.782 -2.129 -3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 446 -0.946 -1.840 -3.774 1.00 0.00 H new ATOM 0 HD1 PHE A 446 2.360 -0.262 -4.445 1.00 0.00 H new ATOM 0 HD2 PHE A 446 -1.898 -0.007 -5.020 1.00 0.00 H new ATOM 0 HE1 PHE A 446 2.698 1.573 -6.084 1.00 0.00 H new ATOM 0 HE2 PHE A 446 -1.562 1.830 -6.661 1.00 0.00 H new ATOM 0 HZ PHE A 446 0.735 2.610 -7.205 1.00 0.00 H new ATOM 1043 N VAL A 447 -0.315 1.518 -2.005 1.00 0.00 N ATOM 1044 CA VAL A 447 -1.062 2.784 -1.883 1.00 0.00 C ATOM 1045 C VAL A 447 -0.500 3.785 -2.894 1.00 0.00 C ATOM 1046 O VAL A 447 0.703 3.803 -3.132 1.00 0.00 O ATOM 1047 CB VAL A 447 -0.997 3.372 -0.446 1.00 0.00 C ATOM 1048 CG1 VAL A 447 -1.729 4.720 -0.311 1.00 0.00 C ATOM 1049 CG2 VAL A 447 -1.599 2.422 0.605 1.00 0.00 C ATOM 0 H VAL A 447 0.676 1.664 -2.200 1.00 0.00 H new ATOM 0 HA VAL A 447 -2.113 2.584 -2.091 1.00 0.00 H new ATOM 0 HB VAL A 447 0.069 3.513 -0.265 1.00 0.00 H new ATOM 0 HG11 VAL A 447 -1.647 5.077 0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 447 -1.279 5.448 -0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 447 -2.781 4.590 -0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 447 -1.529 2.880 1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 447 -2.645 2.232 0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 447 -1.049 1.481 0.602 1.00 0.00 H new ATOM 1059 N SER A 448 -1.337 4.641 -3.478 1.00 0.00 N ATOM 1060 CA SER A 448 -0.880 5.732 -4.351 1.00 0.00 C ATOM 1061 C SER A 448 -1.725 7.001 -4.190 1.00 0.00 C ATOM 1062 O SER A 448 -2.927 6.929 -3.929 1.00 0.00 O ATOM 1063 CB SER A 448 -0.848 5.264 -5.817 1.00 0.00 C ATOM 1064 OG SER A 448 -0.104 6.134 -6.663 1.00 0.00 O ATOM 0 H SER A 448 -2.350 4.602 -3.363 1.00 0.00 H new ATOM 0 HA SER A 448 0.133 5.995 -4.046 1.00 0.00 H new ATOM 0 HB2 SER A 448 -0.417 4.264 -5.864 1.00 0.00 H new ATOM 0 HB3 SER A 448 -1.869 5.188 -6.191 1.00 0.00 H new ATOM 0 HG SER A 448 0.571 6.607 -6.133 1.00 0.00 H new ATOM 1070 N TYR A 449 -1.094 8.169 -4.341 1.00 0.00 N ATOM 1071 CA TYR A 449 -1.662 9.499 -4.088 1.00 0.00 C ATOM 1072 C TYR A 449 -1.759 10.364 -5.353 1.00 0.00 C ATOM 1073 O TYR A 449 -1.106 10.106 -6.363 1.00 0.00 O ATOM 1074 CB TYR A 449 -0.792 10.236 -3.058 1.00 0.00 C ATOM 1075 CG TYR A 449 -0.862 9.690 -1.651 1.00 0.00 C ATOM 1076 CD1 TYR A 449 -0.097 8.566 -1.287 1.00 0.00 C ATOM 1077 CD2 TYR A 449 -1.704 10.310 -0.708 1.00 0.00 C ATOM 1078 CE1 TYR A 449 -0.155 8.077 0.029 1.00 0.00 C ATOM 1079 CE2 TYR A 449 -1.776 9.817 0.606 1.00 0.00 C ATOM 1080 CZ TYR A 449 -0.996 8.701 0.973 1.00 0.00 C ATOM 1081 OH TYR A 449 -1.069 8.201 2.229 1.00 0.00 O ATOM 0 H TYR A 449 -0.126 8.216 -4.658 1.00 0.00 H new ATOM 0 HA TYR A 449 -2.675 9.343 -3.717 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.245 10.204 -3.392 1.00 0.00 H new ATOM 0 HB3 TYR A 449 -1.089 11.285 -3.039 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.533 8.081 -2.018 1.00 0.00 H new ATOM 0 HD2 TYR A 449 -2.296 11.166 -0.995 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.443 7.225 0.317 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -2.424 10.289 1.329 1.00 0.00 H new ATOM 0 HH TYR A 449 -1.930 8.445 2.629 1.00 0.00 H new ATOM 1091 N ASP A 450 -2.529 11.450 -5.265 1.00 0.00 N ATOM 1092 CA ASP A 450 -2.628 12.482 -6.304 1.00 0.00 C ATOM 1093 C ASP A 450 -1.328 13.302 -6.477 1.00 0.00 C ATOM 1094 O ASP A 450 -1.127 13.913 -7.526 1.00 0.00 O ATOM 1095 CB ASP A 450 -3.819 13.385 -5.951 1.00 0.00 C ATOM 1096 CG ASP A 450 -4.150 14.419 -7.042 1.00 0.00 C ATOM 1097 OD1 ASP A 450 -4.460 14.010 -8.187 1.00 0.00 O ATOM 1098 OD2 ASP A 450 -4.153 15.634 -6.730 1.00 0.00 O ATOM 0 H ASP A 450 -3.115 11.643 -4.452 1.00 0.00 H new ATOM 0 HA ASP A 450 -2.783 11.998 -7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -4.696 12.763 -5.773 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -3.605 13.908 -5.019 1.00 0.00 H new ATOM 1103 N ASN A 451 -0.425 13.282 -5.482 1.00 0.00 N ATOM 1104 CA ASN A 451 0.854 14.009 -5.485 1.00 0.00 C ATOM 1105 C ASN A 451 1.975 13.222 -4.762 1.00 0.00 C ATOM 1106 O ASN A 451 1.687 12.523 -3.783 1.00 0.00 O ATOM 1107 CB ASN A 451 0.695 15.386 -4.812 1.00 0.00 C ATOM 1108 CG ASN A 451 -0.429 16.239 -5.396 1.00 0.00 C ATOM 1109 OD1 ASN A 451 -0.278 16.872 -6.434 1.00 0.00 O ATOM 1110 ND2 ASN A 451 -1.571 16.294 -4.733 1.00 0.00 N ATOM 0 H ASN A 451 -0.570 12.743 -4.628 1.00 0.00 H new ATOM 0 HA ASN A 451 1.141 14.134 -6.529 1.00 0.00 H new ATOM 0 HB2 ASN A 451 0.510 15.239 -3.748 1.00 0.00 H new ATOM 0 HB3 ASN A 451 1.634 15.932 -4.900 1.00 0.00 H new ATOM 0 HD21 ASN A 451 -2.338 16.868 -5.085 1.00 0.00 H new ATOM 0 HD22 ASN A 451 -1.686 15.763 -3.870 1.00 0.00 H new ATOM 1117 N PRO A 452 3.259 13.376 -5.164 1.00 0.00 N ATOM 1118 CA PRO A 452 4.402 12.721 -4.514 1.00 0.00 C ATOM 1119 C PRO A 452 4.645 13.188 -3.073 1.00 0.00 C ATOM 1120 O PRO A 452 5.159 12.428 -2.262 1.00 0.00 O ATOM 1121 CB PRO A 452 5.634 13.037 -5.375 1.00 0.00 C ATOM 1122 CG PRO A 452 5.074 13.585 -6.684 1.00 0.00 C ATOM 1123 CD PRO A 452 3.721 14.168 -6.296 1.00 0.00 C ATOM 0 HA PRO A 452 4.198 11.653 -4.443 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.280 13.767 -4.886 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.235 12.144 -5.546 1.00 0.00 H new ATOM 0 HG2 PRO A 452 5.728 14.346 -7.110 1.00 0.00 H new ATOM 0 HG3 PRO A 452 4.969 12.799 -7.432 1.00 0.00 H new ATOM 0 HD2 PRO A 452 3.811 15.220 -6.026 1.00 0.00 H new ATOM 0 HD3 PRO A 452 3.018 14.111 -7.127 1.00 0.00 H new ATOM 1131 N VAL A 453 4.269 14.425 -2.741 1.00 0.00 N ATOM 1132 CA VAL A 453 4.496 15.025 -1.412 1.00 0.00 C ATOM 1133 C VAL A 453 3.548 14.418 -0.368 1.00 0.00 C ATOM 1134 O VAL A 453 3.974 14.109 0.743 1.00 0.00 O ATOM 1135 CB VAL A 453 4.371 16.568 -1.457 1.00 0.00 C ATOM 1136 CG1 VAL A 453 4.624 17.215 -0.084 1.00 0.00 C ATOM 1137 CG2 VAL A 453 5.361 17.168 -2.475 1.00 0.00 C ATOM 0 H VAL A 453 3.792 15.050 -3.391 1.00 0.00 H new ATOM 0 HA VAL A 453 5.518 14.792 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 453 3.346 16.784 -1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 453 4.525 18.297 -0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 453 3.896 16.839 0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 453 5.630 16.968 0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 453 5.255 18.253 -2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 453 6.380 16.906 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 453 5.149 16.770 -3.467 1.00 0.00 H new ATOM 1147 N SER A 454 2.291 14.151 -0.741 1.00 0.00 N ATOM 1148 CA SER A 454 1.324 13.416 0.092 1.00 0.00 C ATOM 1149 C SER A 454 1.789 11.976 0.367 1.00 0.00 C ATOM 1150 O SER A 454 1.603 11.444 1.462 1.00 0.00 O ATOM 1151 CB SER A 454 -0.033 13.367 -0.627 1.00 0.00 C ATOM 1152 OG SER A 454 -0.447 14.641 -1.112 1.00 0.00 O ATOM 0 H SER A 454 1.909 14.442 -1.641 1.00 0.00 H new ATOM 0 HA SER A 454 1.240 13.939 1.045 1.00 0.00 H new ATOM 0 HB2 SER A 454 0.028 12.668 -1.461 1.00 0.00 H new ATOM 0 HB3 SER A 454 -0.788 12.981 0.058 1.00 0.00 H new ATOM 0 HG SER A 454 -1.313 14.554 -1.562 1.00 0.00 H new ATOM 1158 N ALA A 455 2.461 11.369 -0.616 1.00 0.00 N ATOM 1159 CA ALA A 455 3.035 10.032 -0.522 1.00 0.00 C ATOM 1160 C ALA A 455 4.281 10.003 0.379 1.00 0.00 C ATOM 1161 O ALA A 455 4.360 9.189 1.296 1.00 0.00 O ATOM 1162 CB ALA A 455 3.317 9.576 -1.956 1.00 0.00 C ATOM 0 H ALA A 455 2.623 11.810 -1.522 1.00 0.00 H new ATOM 0 HA ALA A 455 2.342 9.340 -0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 455 3.750 8.576 -1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 455 2.386 9.560 -2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 455 4.016 10.267 -2.427 1.00 0.00 H new ATOM 1168 N GLN A 456 5.224 10.930 0.186 1.00 0.00 N ATOM 1169 CA GLN A 456 6.421 11.074 1.024 1.00 0.00 C ATOM 1170 C GLN A 456 6.070 11.373 2.489 1.00 0.00 C ATOM 1171 O GLN A 456 6.749 10.883 3.394 1.00 0.00 O ATOM 1172 CB GLN A 456 7.316 12.189 0.450 1.00 0.00 C ATOM 1173 CG GLN A 456 8.089 11.765 -0.813 1.00 0.00 C ATOM 1174 CD GLN A 456 9.248 10.796 -0.551 1.00 0.00 C ATOM 1175 OE1 GLN A 456 9.577 10.434 0.572 1.00 0.00 O ATOM 1176 NE2 GLN A 456 9.921 10.337 -1.586 1.00 0.00 N ATOM 0 H GLN A 456 5.177 11.614 -0.570 1.00 0.00 H new ATOM 0 HA GLN A 456 6.957 10.125 1.012 1.00 0.00 H new ATOM 0 HB2 GLN A 456 6.698 13.055 0.215 1.00 0.00 H new ATOM 0 HB3 GLN A 456 8.027 12.503 1.214 1.00 0.00 H new ATOM 0 HG2 GLN A 456 7.393 11.300 -1.511 1.00 0.00 H new ATOM 0 HG3 GLN A 456 8.481 12.657 -1.301 1.00 0.00 H new ATOM 0 HE21 GLN A 456 9.664 10.625 -2.530 1.00 0.00 H new ATOM 0 HE22 GLN A 456 10.699 9.693 -1.443 1.00 0.00 H new ATOM 1185 N ALA A 457 4.992 12.121 2.746 1.00 0.00 N ATOM 1186 CA ALA A 457 4.477 12.356 4.095 1.00 0.00 C ATOM 1187 C ALA A 457 3.960 11.070 4.766 1.00 0.00 C ATOM 1188 O ALA A 457 4.079 10.933 5.984 1.00 0.00 O ATOM 1189 CB ALA A 457 3.384 13.429 4.017 1.00 0.00 C ATOM 0 H ALA A 457 4.449 12.583 2.016 1.00 0.00 H new ATOM 0 HA ALA A 457 5.295 12.704 4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 457 2.988 13.618 5.015 1.00 0.00 H new ATOM 0 HB2 ALA A 457 3.806 14.350 3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 457 2.580 13.083 3.367 1.00 0.00 H new ATOM 1195 N ALA A 458 3.455 10.102 3.990 1.00 0.00 N ATOM 1196 CA ALA A 458 3.030 8.803 4.502 1.00 0.00 C ATOM 1197 C ALA A 458 4.231 7.903 4.817 1.00 0.00 C ATOM 1198 O ALA A 458 4.258 7.292 5.883 1.00 0.00 O ATOM 1199 CB ALA A 458 2.074 8.158 3.496 1.00 0.00 C ATOM 0 H ALA A 458 3.331 10.204 2.983 1.00 0.00 H new ATOM 0 HA ALA A 458 2.502 8.942 5.445 1.00 0.00 H new ATOM 0 HB1 ALA A 458 1.752 7.187 3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 458 1.204 8.800 3.357 1.00 0.00 H new ATOM 0 HB3 ALA A 458 2.584 8.027 2.542 1.00 0.00 H new ATOM 1205 N ILE A 459 5.267 7.881 3.963 1.00 0.00 N ATOM 1206 CA ILE A 459 6.520 7.144 4.248 1.00 0.00 C ATOM 1207 C ILE A 459 7.142 7.647 5.557 1.00 0.00 C ATOM 1208 O ILE A 459 7.459 6.849 6.437 1.00 0.00 O ATOM 1209 CB ILE A 459 7.549 7.232 3.091 1.00 0.00 C ATOM 1210 CG1 ILE A 459 6.928 6.864 1.728 1.00 0.00 C ATOM 1211 CG2 ILE A 459 8.746 6.302 3.387 1.00 0.00 C ATOM 1212 CD1 ILE A 459 7.908 6.999 0.559 1.00 0.00 C ATOM 0 H ILE A 459 5.266 8.365 3.065 1.00 0.00 H new ATOM 0 HA ILE A 459 6.254 6.092 4.350 1.00 0.00 H new ATOM 0 HB ILE A 459 7.885 8.267 3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 459 6.561 5.838 1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 459 6.065 7.504 1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 459 9.467 6.366 2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 459 9.223 6.608 4.318 1.00 0.00 H new ATOM 0 HG23 ILE A 459 8.394 5.275 3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 459 7.407 6.725 -0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 459 8.256 8.030 0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 459 8.760 6.338 0.720 1.00 0.00 H new ATOM 1224 N GLN A 460 7.253 8.969 5.716 1.00 0.00 N ATOM 1225 CA GLN A 460 7.860 9.602 6.892 1.00 0.00 C ATOM 1226 C GLN A 460 7.010 9.473 8.171 1.00 0.00 C ATOM 1227 O GLN A 460 7.527 9.694 9.266 1.00 0.00 O ATOM 1228 CB GLN A 460 8.144 11.080 6.574 1.00 0.00 C ATOM 1229 CG GLN A 460 9.279 11.252 5.550 1.00 0.00 C ATOM 1230 CD GLN A 460 9.374 12.696 5.061 1.00 0.00 C ATOM 1231 OE1 GLN A 460 10.196 13.490 5.507 1.00 0.00 O ATOM 1232 NE2 GLN A 460 8.526 13.092 4.134 1.00 0.00 N ATOM 0 H GLN A 460 6.920 9.639 5.023 1.00 0.00 H new ATOM 0 HA GLN A 460 8.789 9.072 7.104 1.00 0.00 H new ATOM 0 HB2 GLN A 460 7.237 11.547 6.189 1.00 0.00 H new ATOM 0 HB3 GLN A 460 8.406 11.603 7.494 1.00 0.00 H new ATOM 0 HG2 GLN A 460 10.226 10.956 6.001 1.00 0.00 H new ATOM 0 HG3 GLN A 460 9.109 10.589 4.701 1.00 0.00 H new ATOM 0 HE21 GLN A 460 7.839 12.438 3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 460 8.556 14.053 3.792 1.00 0.00 H new ATOM 1241 N SER A 461 5.734 9.090 8.066 1.00 0.00 N ATOM 1242 CA SER A 461 4.839 8.897 9.221 1.00 0.00 C ATOM 1243 C SER A 461 4.620 7.421 9.595 1.00 0.00 C ATOM 1244 O SER A 461 4.403 7.119 10.772 1.00 0.00 O ATOM 1245 CB SER A 461 3.475 9.545 8.944 1.00 0.00 C ATOM 1246 OG SER A 461 3.590 10.944 8.725 1.00 0.00 O ATOM 0 H SER A 461 5.285 8.902 7.170 1.00 0.00 H new ATOM 0 HA SER A 461 5.336 9.374 10.066 1.00 0.00 H new ATOM 0 HB2 SER A 461 3.021 9.077 8.071 1.00 0.00 H new ATOM 0 HB3 SER A 461 2.808 9.363 9.787 1.00 0.00 H new ATOM 0 HG SER A 461 3.755 11.114 7.774 1.00 0.00 H new ATOM 1252 N MET A 462 4.698 6.498 8.623 1.00 0.00 N ATOM 1253 CA MET A 462 4.291 5.093 8.788 1.00 0.00 C ATOM 1254 C MET A 462 5.430 4.078 8.687 1.00 0.00 C ATOM 1255 O MET A 462 5.289 2.960 9.184 1.00 0.00 O ATOM 1256 CB MET A 462 3.203 4.749 7.761 1.00 0.00 C ATOM 1257 CG MET A 462 1.954 5.633 7.895 1.00 0.00 C ATOM 1258 SD MET A 462 1.243 5.758 9.563 1.00 0.00 S ATOM 1259 CE MET A 462 0.664 4.066 9.787 1.00 0.00 C ATOM 0 H MET A 462 5.050 6.709 7.689 1.00 0.00 H new ATOM 0 HA MET A 462 3.915 5.013 9.808 1.00 0.00 H new ATOM 0 HB2 MET A 462 3.612 4.856 6.756 1.00 0.00 H new ATOM 0 HB3 MET A 462 2.917 3.704 7.879 1.00 0.00 H new ATOM 0 HG2 MET A 462 2.205 6.637 7.552 1.00 0.00 H new ATOM 0 HG3 MET A 462 1.187 5.249 7.222 1.00 0.00 H new ATOM 0 HE1 MET A 462 -0.092 4.041 10.572 1.00 0.00 H new ATOM 0 HE2 MET A 462 0.231 3.703 8.855 1.00 0.00 H new ATOM 0 HE3 MET A 462 1.502 3.429 10.070 1.00 0.00 H new ATOM 1269 N ASN A 463 6.573 4.436 8.098 1.00 0.00 N ATOM 1270 CA ASN A 463 7.743 3.561 8.088 1.00 0.00 C ATOM 1271 C ASN A 463 8.351 3.478 9.505 1.00 0.00 C ATOM 1272 O ASN A 463 8.873 4.466 10.028 1.00 0.00 O ATOM 1273 CB ASN A 463 8.739 4.063 7.035 1.00 0.00 C ATOM 1274 CG ASN A 463 9.861 3.061 6.811 1.00 0.00 C ATOM 1275 OD1 ASN A 463 9.612 1.934 6.401 1.00 0.00 O ATOM 1276 ND2 ASN A 463 11.102 3.422 7.077 1.00 0.00 N ATOM 0 H ASN A 463 6.711 5.327 7.622 1.00 0.00 H new ATOM 0 HA ASN A 463 7.461 2.545 7.811 1.00 0.00 H new ATOM 0 HB2 ASN A 463 8.217 4.243 6.095 1.00 0.00 H new ATOM 0 HB3 ASN A 463 9.159 5.017 7.355 1.00 0.00 H new ATOM 0 HD21 ASN A 463 11.866 2.760 6.942 1.00 0.00 H new ATOM 0 HD22 ASN A 463 11.297 4.363 7.418 1.00 0.00 H new ATOM 1283 N GLY A 464 8.244 2.304 10.138 1.00 0.00 N ATOM 1284 CA GLY A 464 8.608 2.049 11.540 1.00 0.00 C ATOM 1285 C GLY A 464 7.435 2.093 12.529 1.00 0.00 C ATOM 1286 O GLY A 464 7.665 1.902 13.724 1.00 0.00 O ATOM 0 H GLY A 464 7.887 1.471 9.670 1.00 0.00 H new ATOM 0 HA2 GLY A 464 9.083 1.070 11.605 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.351 2.785 11.847 1.00 0.00 H new ATOM 1290 N PHE A 465 6.194 2.323 12.077 1.00 0.00 N ATOM 1291 CA PHE A 465 5.002 2.414 12.935 1.00 0.00 C ATOM 1292 C PHE A 465 4.712 1.074 13.625 1.00 0.00 C ATOM 1293 O PHE A 465 4.494 0.069 12.948 1.00 0.00 O ATOM 1294 CB PHE A 465 3.813 2.861 12.070 1.00 0.00 C ATOM 1295 CG PHE A 465 2.494 3.049 12.800 1.00 0.00 C ATOM 1296 CD1 PHE A 465 1.588 1.977 12.949 1.00 0.00 C ATOM 1297 CD2 PHE A 465 2.151 4.322 13.296 1.00 0.00 C ATOM 1298 CE1 PHE A 465 0.352 2.183 13.589 1.00 0.00 C ATOM 1299 CE2 PHE A 465 0.916 4.524 13.937 1.00 0.00 C ATOM 1300 CZ PHE A 465 0.015 3.455 14.083 1.00 0.00 C ATOM 0 H PHE A 465 5.986 2.453 11.087 1.00 0.00 H new ATOM 0 HA PHE A 465 5.175 3.145 13.725 1.00 0.00 H new ATOM 0 HB2 PHE A 465 4.075 3.801 11.585 1.00 0.00 H new ATOM 0 HB3 PHE A 465 3.667 2.125 11.280 1.00 0.00 H new ATOM 0 HD1 PHE A 465 1.844 0.998 12.572 1.00 0.00 H new ATOM 0 HD2 PHE A 465 2.840 5.146 13.183 1.00 0.00 H new ATOM 0 HE1 PHE A 465 -0.340 1.361 13.701 1.00 0.00 H new ATOM 0 HE2 PHE A 465 0.659 5.502 14.318 1.00 0.00 H new ATOM 0 HZ PHE A 465 -0.934 3.611 14.574 1.00 0.00 H new ATOM 1310 N GLN A 466 4.705 1.044 14.961 1.00 0.00 N ATOM 1311 CA GLN A 466 4.406 -0.171 15.722 1.00 0.00 C ATOM 1312 C GLN A 466 2.897 -0.447 15.720 1.00 0.00 C ATOM 1313 O GLN A 466 2.091 0.435 16.018 1.00 0.00 O ATOM 1314 CB GLN A 466 4.969 -0.066 17.150 1.00 0.00 C ATOM 1315 CG GLN A 466 4.886 -1.418 17.888 1.00 0.00 C ATOM 1316 CD GLN A 466 5.395 -1.372 19.332 1.00 0.00 C ATOM 1317 OE1 GLN A 466 6.246 -0.576 19.712 1.00 0.00 O ATOM 1318 NE2 GLN A 466 4.892 -2.230 20.196 1.00 0.00 N ATOM 0 H GLN A 466 4.906 1.858 15.542 1.00 0.00 H new ATOM 0 HA GLN A 466 4.894 -1.019 15.241 1.00 0.00 H new ATOM 0 HB2 GLN A 466 6.007 0.266 17.110 1.00 0.00 H new ATOM 0 HB3 GLN A 466 4.414 0.689 17.707 1.00 0.00 H new ATOM 0 HG2 GLN A 466 3.850 -1.756 17.889 1.00 0.00 H new ATOM 0 HG3 GLN A 466 5.462 -2.159 17.334 1.00 0.00 H new ATOM 0 HE21 GLN A 466 4.183 -2.899 19.896 1.00 0.00 H new ATOM 0 HE22 GLN A 466 5.212 -2.225 21.165 1.00 0.00 H new ATOM 1327 N ILE A 467 2.517 -1.693 15.423 1.00 0.00 N ATOM 1328 CA ILE A 467 1.123 -2.151 15.389 1.00 0.00 C ATOM 1329 C ILE A 467 1.042 -3.555 16.008 1.00 0.00 C ATOM 1330 O ILE A 467 1.308 -4.573 15.365 1.00 0.00 O ATOM 1331 CB ILE A 467 0.546 -1.966 13.961 1.00 0.00 C ATOM 1332 CG1 ILE A 467 -0.991 -2.072 13.993 1.00 0.00 C ATOM 1333 CG2 ILE A 467 1.172 -2.875 12.887 1.00 0.00 C ATOM 1334 CD1 ILE A 467 -1.668 -1.659 12.681 1.00 0.00 C ATOM 0 H ILE A 467 3.185 -2.429 15.194 1.00 0.00 H new ATOM 0 HA ILE A 467 0.463 -1.545 16.010 1.00 0.00 H new ATOM 0 HB ILE A 467 0.829 -0.961 13.646 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -1.270 -3.099 14.227 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -1.372 -1.446 14.800 1.00 0.00 H new ATOM 0 HG21 ILE A 467 0.705 -2.674 11.923 1.00 0.00 H new ATOM 0 HG22 ILE A 467 2.242 -2.676 12.821 1.00 0.00 H new ATOM 0 HG23 ILE A 467 1.013 -3.919 13.156 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -2.749 -1.761 12.781 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -1.421 -0.622 12.455 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -1.317 -2.301 11.873 1.00 0.00 H new ATOM 1392 N ARG A 471 6.524 -3.879 13.709 1.00 0.00 N ATOM 1393 CA ARG A 471 6.567 -2.558 13.057 1.00 0.00 C ATOM 1394 C ARG A 471 6.358 -2.658 11.541 1.00 0.00 C ATOM 1395 O ARG A 471 6.913 -3.544 10.888 1.00 0.00 O ATOM 1396 CB ARG A 471 7.898 -1.849 13.368 1.00 0.00 C ATOM 1397 CG ARG A 471 8.006 -1.434 14.844 1.00 0.00 C ATOM 1398 CD ARG A 471 9.340 -0.740 15.141 1.00 0.00 C ATOM 1399 NE ARG A 471 9.445 -0.381 16.567 1.00 0.00 N ATOM 1400 CZ ARG A 471 9.033 0.741 17.150 1.00 0.00 C ATOM 1401 NH1 ARG A 471 8.449 1.715 16.482 1.00 0.00 N ATOM 1402 NH2 ARG A 471 9.205 0.898 18.444 1.00 0.00 N ATOM 0 HA ARG A 471 5.745 -1.968 13.462 1.00 0.00 H new ATOM 0 HB2 ARG A 471 8.727 -2.511 13.117 1.00 0.00 H new ATOM 0 HB3 ARG A 471 7.993 -0.966 12.736 1.00 0.00 H new ATOM 0 HG2 ARG A 471 7.183 -0.764 15.095 1.00 0.00 H new ATOM 0 HG3 ARG A 471 7.905 -2.315 15.478 1.00 0.00 H new ATOM 0 HD2 ARG A 471 10.165 -1.398 14.867 1.00 0.00 H new ATOM 0 HD3 ARG A 471 9.431 0.157 14.529 1.00 0.00 H new ATOM 0 HE ARG A 471 9.884 -1.072 17.176 1.00 0.00 H new ATOM 0 HH11 ARG A 471 8.297 1.625 15.477 1.00 0.00 H new ATOM 0 HH12 ARG A 471 8.148 2.559 16.970 1.00 0.00 H new ATOM 0 HH21 ARG A 471 9.651 0.163 18.992 1.00 0.00 H new ATOM 0 HH22 ARG A 471 8.892 1.755 18.900 1.00 0.00 H new ATOM 1416 N LEU A 472 5.571 -1.731 10.992 1.00 0.00 N ATOM 1417 CA LEU A 472 5.343 -1.561 9.554 1.00 0.00 C ATOM 1418 C LEU A 472 6.600 -1.055 8.840 1.00 0.00 C ATOM 1419 O LEU A 472 7.390 -0.300 9.406 1.00 0.00 O ATOM 1420 CB LEU A 472 4.186 -0.567 9.320 1.00 0.00 C ATOM 1421 CG LEU A 472 2.810 -0.992 9.868 1.00 0.00 C ATOM 1422 CD1 LEU A 472 1.770 0.087 9.538 1.00 0.00 C ATOM 1423 CD2 LEU A 472 2.355 -2.335 9.283 1.00 0.00 C ATOM 0 H LEU A 472 5.056 -1.054 11.555 1.00 0.00 H new ATOM 0 HA LEU A 472 5.086 -2.536 9.141 1.00 0.00 H new ATOM 0 HB2 LEU A 472 4.456 0.387 9.772 1.00 0.00 H new ATOM 0 HB3 LEU A 472 4.091 -0.396 8.248 1.00 0.00 H new ATOM 0 HG LEU A 472 2.902 -1.109 10.948 1.00 0.00 H new ATOM 0 HD11 LEU A 472 0.797 -0.215 9.926 1.00 0.00 H new ATOM 0 HD12 LEU A 472 2.067 1.031 9.996 1.00 0.00 H new ATOM 0 HD13 LEU A 472 1.706 0.213 8.457 1.00 0.00 H new ATOM 0 HD21 LEU A 472 1.381 -2.600 9.694 1.00 0.00 H new ATOM 0 HD22 LEU A 472 2.281 -2.253 8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 472 3.079 -3.108 9.540 1.00 0.00 H new ATOM 1435 N LYS A 473 6.743 -1.420 7.569 1.00 0.00 N ATOM 1436 CA LYS A 473 7.733 -0.852 6.643 1.00 0.00 C ATOM 1437 C LYS A 473 6.993 -0.242 5.440 1.00 0.00 C ATOM 1438 O LYS A 473 6.008 -0.814 4.976 1.00 0.00 O ATOM 1439 CB LYS A 473 8.734 -1.949 6.228 1.00 0.00 C ATOM 1440 CG LYS A 473 9.871 -1.414 5.337 1.00 0.00 C ATOM 1441 CD LYS A 473 10.769 -2.511 4.749 1.00 0.00 C ATOM 1442 CE LYS A 473 9.995 -3.407 3.767 1.00 0.00 C ATOM 1443 NZ LYS A 473 10.904 -4.116 2.831 1.00 0.00 N ATOM 0 H LYS A 473 6.161 -2.138 7.138 1.00 0.00 H new ATOM 0 HA LYS A 473 8.306 -0.057 7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 473 9.162 -2.401 7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 473 8.202 -2.737 5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 473 9.438 -0.836 4.520 1.00 0.00 H new ATOM 0 HG3 LYS A 473 10.486 -0.729 5.921 1.00 0.00 H new ATOM 0 HD2 LYS A 473 11.615 -2.054 4.236 1.00 0.00 H new ATOM 0 HD3 LYS A 473 11.176 -3.120 5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 473 9.408 -4.136 4.326 1.00 0.00 H new ATOM 0 HE3 LYS A 473 9.291 -2.799 3.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 10.383 -4.877 2.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 11.266 -3.445 2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 11.700 -4.523 3.362 1.00 0.00 H new ATOM 1457 N VAL A 474 7.452 0.895 4.916 1.00 0.00 N ATOM 1458 CA VAL A 474 6.868 1.564 3.744 1.00 0.00 C ATOM 1459 C VAL A 474 8.001 2.044 2.834 1.00 0.00 C ATOM 1460 O VAL A 474 8.972 2.623 3.319 1.00 0.00 O ATOM 1461 CB VAL A 474 5.963 2.754 4.144 1.00 0.00 C ATOM 1462 CG1 VAL A 474 5.241 3.311 2.910 1.00 0.00 C ATOM 1463 CG2 VAL A 474 4.916 2.370 5.202 1.00 0.00 C ATOM 0 H VAL A 474 8.257 1.390 5.300 1.00 0.00 H new ATOM 0 HA VAL A 474 6.237 0.848 3.218 1.00 0.00 H new ATOM 0 HB VAL A 474 6.617 3.511 4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 474 4.608 4.148 3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 474 5.976 3.652 2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 474 4.625 2.529 2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 474 4.309 3.242 5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 474 4.276 1.580 4.810 1.00 0.00 H new ATOM 0 HG23 VAL A 474 5.420 2.016 6.101 1.00 0.00 H new ATOM 1473 N GLN A 475 7.884 1.798 1.528 1.00 0.00 N ATOM 1474 CA GLN A 475 8.889 2.154 0.521 1.00 0.00 C ATOM 1475 C GLN A 475 8.224 2.617 -0.783 1.00 0.00 C ATOM 1476 O GLN A 475 7.080 2.265 -1.072 1.00 0.00 O ATOM 1477 CB GLN A 475 9.806 0.946 0.234 1.00 0.00 C ATOM 1478 CG GLN A 475 10.727 0.578 1.409 1.00 0.00 C ATOM 1479 CD GLN A 475 11.678 -0.567 1.058 1.00 0.00 C ATOM 1480 OE1 GLN A 475 11.429 -1.732 1.345 1.00 0.00 O ATOM 1481 NE2 GLN A 475 12.804 -0.295 0.431 1.00 0.00 N ATOM 0 H GLN A 475 7.068 1.334 1.130 1.00 0.00 H new ATOM 0 HA GLN A 475 9.485 2.976 0.917 1.00 0.00 H new ATOM 0 HB2 GLN A 475 9.188 0.083 -0.016 1.00 0.00 H new ATOM 0 HB3 GLN A 475 10.418 1.165 -0.641 1.00 0.00 H new ATOM 0 HG2 GLN A 475 11.307 1.453 1.702 1.00 0.00 H new ATOM 0 HG3 GLN A 475 10.121 0.294 2.269 1.00 0.00 H new ATOM 0 HE21 GLN A 475 13.030 0.668 0.183 1.00 0.00 H new ATOM 0 HE22 GLN A 475 13.450 -1.048 0.193 1.00 0.00 H new ATOM 1490 N LEU A 476 8.964 3.385 -1.591 1.00 0.00 N ATOM 1491 CA LEU A 476 8.572 3.730 -2.964 1.00 0.00 C ATOM 1492 C LEU A 476 8.534 2.497 -3.883 1.00 0.00 C ATOM 1493 O LEU A 476 9.231 1.502 -3.666 1.00 0.00 O ATOM 1494 CB LEU A 476 9.552 4.769 -3.549 1.00 0.00 C ATOM 1495 CG LEU A 476 9.473 6.188 -2.955 1.00 0.00 C ATOM 1496 CD1 LEU A 476 10.580 7.040 -3.589 1.00 0.00 C ATOM 1497 CD2 LEU A 476 8.117 6.855 -3.229 1.00 0.00 C ATOM 0 H LEU A 476 9.858 3.788 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 476 7.566 4.147 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 476 10.567 4.397 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 476 9.378 4.837 -4.623 1.00 0.00 H new ATOM 0 HG LEU A 476 9.595 6.112 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 476 10.541 8.050 -3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 476 11.551 6.597 -3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 476 10.436 7.079 -4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 476 8.108 7.853 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 476 7.959 6.929 -4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 476 7.321 6.257 -2.785 1.00 0.00 H new ATOM 1509 N LYS A 477 7.762 2.599 -4.967 1.00 0.00 N ATOM 1510 CA LYS A 477 7.718 1.612 -6.054 1.00 0.00 C ATOM 1511 C LYS A 477 9.100 1.408 -6.713 1.00 0.00 C ATOM 1512 O LYS A 477 9.685 2.348 -7.261 1.00 0.00 O ATOM 1513 CB LYS A 477 6.646 2.071 -7.061 1.00 0.00 C ATOM 1514 CG LYS A 477 6.543 1.178 -8.309 1.00 0.00 C ATOM 1515 CD LYS A 477 5.378 1.626 -9.202 1.00 0.00 C ATOM 1516 CE LYS A 477 5.235 0.671 -10.394 1.00 0.00 C ATOM 1517 NZ LYS A 477 4.230 1.164 -11.367 1.00 0.00 N ATOM 0 H LYS A 477 7.134 3.388 -5.119 1.00 0.00 H new ATOM 0 HA LYS A 477 7.450 0.633 -5.656 1.00 0.00 H new ATOM 0 HB2 LYS A 477 5.678 2.094 -6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 477 6.868 3.092 -7.373 1.00 0.00 H new ATOM 0 HG2 LYS A 477 7.476 1.221 -8.871 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.399 0.140 -8.009 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.453 1.643 -8.626 1.00 0.00 H new ATOM 0 HD3 LYS A 477 5.551 2.642 -9.558 1.00 0.00 H new ATOM 0 HE2 LYS A 477 6.199 0.559 -10.890 1.00 0.00 H new ATOM 0 HE3 LYS A 477 4.944 -0.317 -10.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 4.071 0.442 -12.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 3.336 1.360 -10.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 4.578 2.037 -11.813 1.00 0.00 H new