USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=13 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 451 ASN : amide:sc= 1.69 K(o=1.9,f=-4.8!) USER MOD Set 1.2: A 454 SER OG : rot 75:sc= 0.22 USER MOD Set 2.1: A 402 ASN : amide:sc= 1.03 K(o=1.4,f=-4.1!) USER MOD Set 2.2: A 448 SER OG : rot 89:sc= 0.325 USER MOD Set 3.1: A 394 GLN : amide:sc= 0.841 K(o=2.3,f=-6.2!) USER MOD Set 3.2: A 431 LYS NZ :NH3+ -177:sc= 1.44 (180deg=0.478) USER MOD Single : A 393 SER OG : rot 180:sc= 0 USER MOD Single : A 395 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.29) USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 420 MET CE :methyl 164:sc= 0 (180deg=-0.611) USER MOD Single : A 422 MET CE :methyl -178:sc= -0.146 (180deg=-0.155) USER MOD Single : A 426 ASN : amide:sc= -0.0275 K(o=-0.027,f=-1.1) USER MOD Single : A 429 SER OG : rot 168:sc= 0.117 USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 CYS SG : rot -78:sc= 0.065 USER MOD Single : A 449 TYR OH : rot -157:sc= 1.06 USER MOD Single : A 456 GLN : amide:sc=-0.00937 X(o=-0.0094,f=-0.45) USER MOD Single : A 460 GLN : amide:sc= 0.418 X(o=0.42,f=0) USER MOD Single : A 461 SER OG : rot 88:sc= 1.1 USER MOD Single : A 462 MET CE :methyl -161:sc= -0.0548 (180deg=-0.84) USER MOD Single : A 463 ASN : amide:sc= 0.798 K(o=0.8,f=-7!) USER MOD Single : A 466 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 GLN : amide:sc=-0.000203 K(o=-0.0002,f=-0.86) USER MOD Single : A 477 LYS NZ :NH3+ -176:sc= 0.902 (180deg=0.846) USER MOD ----------------------------------------------------------------- ATOM 182 N ALA A 391 -10.077 1.895 -2.521 1.00 0.00 N ATOM 183 CA ALA A 391 -10.027 0.666 -1.720 1.00 0.00 C ATOM 184 C ALA A 391 -10.379 -0.580 -2.553 1.00 0.00 C ATOM 185 O ALA A 391 -11.519 -0.767 -2.986 1.00 0.00 O ATOM 186 CB ALA A 391 -10.929 0.821 -0.489 1.00 0.00 C ATOM 0 HA ALA A 391 -9.004 0.511 -1.378 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -10.892 -0.091 0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -10.582 1.661 0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -11.955 1.004 -0.810 1.00 0.00 H new ATOM 192 N GLY A 392 -9.376 -1.437 -2.767 1.00 0.00 N ATOM 193 CA GLY A 392 -9.455 -2.661 -3.573 1.00 0.00 C ATOM 194 C GLY A 392 -9.135 -2.423 -5.051 1.00 0.00 C ATOM 195 O GLY A 392 -9.068 -3.379 -5.826 1.00 0.00 O ATOM 0 H GLY A 392 -8.449 -1.292 -2.368 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -8.762 -3.400 -3.171 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -10.456 -3.083 -3.487 1.00 0.00 H new ATOM 199 N SER A 393 -8.907 -1.171 -5.440 1.00 0.00 N ATOM 200 CA SER A 393 -8.525 -0.769 -6.795 1.00 0.00 C ATOM 201 C SER A 393 -7.033 -1.035 -7.077 1.00 0.00 C ATOM 202 O SER A 393 -6.230 -1.240 -6.162 1.00 0.00 O ATOM 203 CB SER A 393 -8.870 0.716 -7.010 1.00 0.00 C ATOM 204 OG SER A 393 -10.265 0.932 -6.842 1.00 0.00 O ATOM 0 H SER A 393 -8.985 -0.380 -4.800 1.00 0.00 H new ATOM 0 HA SER A 393 -9.091 -1.376 -7.502 1.00 0.00 H new ATOM 0 HB2 SER A 393 -8.313 1.331 -6.303 1.00 0.00 H new ATOM 0 HB3 SER A 393 -8.566 1.025 -8.010 1.00 0.00 H new ATOM 0 HG SER A 393 -10.468 1.881 -6.980 1.00 0.00 H new ATOM 210 N GLN A 394 -6.650 -1.027 -8.357 1.00 0.00 N ATOM 211 CA GLN A 394 -5.259 -1.176 -8.818 1.00 0.00 C ATOM 212 C GLN A 394 -4.859 0.001 -9.728 1.00 0.00 C ATOM 213 O GLN A 394 -4.070 -0.132 -10.665 1.00 0.00 O ATOM 214 CB GLN A 394 -5.061 -2.579 -9.430 1.00 0.00 C ATOM 215 CG GLN A 394 -4.970 -3.642 -8.320 1.00 0.00 C ATOM 216 CD GLN A 394 -4.976 -5.079 -8.839 1.00 0.00 C ATOM 217 OE1 GLN A 394 -5.833 -5.879 -8.480 1.00 0.00 O ATOM 218 NE2 GLN A 394 -4.034 -5.477 -9.669 1.00 0.00 N ATOM 0 H GLN A 394 -7.313 -0.914 -9.124 1.00 0.00 H new ATOM 0 HA GLN A 394 -4.566 -1.121 -7.978 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -5.891 -2.812 -10.098 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -4.153 -2.595 -10.033 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -4.058 -3.477 -7.746 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -5.807 -3.510 -7.634 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -3.315 -4.822 -9.976 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -4.024 -6.440 -10.005 1.00 0.00 H new ATOM 227 N LYS A 395 -5.417 1.180 -9.433 1.00 0.00 N ATOM 228 CA LYS A 395 -4.998 2.469 -9.994 1.00 0.00 C ATOM 229 C LYS A 395 -3.610 2.873 -9.457 1.00 0.00 C ATOM 230 O LYS A 395 -3.125 2.292 -8.482 1.00 0.00 O ATOM 231 CB LYS A 395 -6.004 3.544 -9.547 1.00 0.00 C ATOM 232 CG LYS A 395 -7.434 3.403 -10.089 1.00 0.00 C ATOM 233 CD LYS A 395 -8.378 4.370 -9.352 1.00 0.00 C ATOM 234 CE LYS A 395 -7.886 5.830 -9.337 1.00 0.00 C ATOM 235 NZ LYS A 395 -8.023 6.489 -10.664 1.00 0.00 N ATOM 0 H LYS A 395 -6.195 1.266 -8.779 1.00 0.00 H new ATOM 0 HA LYS A 395 -4.956 2.382 -11.080 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -6.049 3.539 -8.458 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -5.619 4.519 -9.846 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -7.448 3.613 -11.158 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -7.780 2.377 -9.961 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -9.361 4.333 -9.822 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -8.503 4.028 -8.325 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -8.451 6.393 -8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -6.841 5.855 -9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -7.679 7.469 -10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -7.463 5.969 -11.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -9.023 6.491 -10.949 1.00 0.00 H new ATOM 249 N GLU A 396 -3.020 3.936 -10.007 1.00 0.00 N ATOM 250 CA GLU A 396 -1.832 4.581 -9.445 1.00 0.00 C ATOM 251 C GLU A 396 -1.654 6.030 -9.926 1.00 0.00 C ATOM 252 O GLU A 396 -2.299 6.464 -10.885 1.00 0.00 O ATOM 253 CB GLU A 396 -0.574 3.728 -9.698 1.00 0.00 C ATOM 254 CG GLU A 396 -0.147 3.687 -11.170 1.00 0.00 C ATOM 255 CD GLU A 396 0.956 2.647 -11.385 1.00 0.00 C ATOM 256 OE1 GLU A 396 2.142 2.940 -11.114 1.00 0.00 O ATOM 257 OE2 GLU A 396 0.652 1.512 -11.817 1.00 0.00 O ATOM 0 H GLU A 396 -3.357 4.377 -10.863 1.00 0.00 H new ATOM 0 HA GLU A 396 -1.983 4.645 -8.367 1.00 0.00 H new ATOM 0 HB2 GLU A 396 0.248 4.122 -9.101 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -0.760 2.711 -9.354 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -1.006 3.448 -11.796 1.00 0.00 H new ATOM 0 HG3 GLU A 396 0.208 4.670 -11.478 1.00 0.00 H new ATOM 264 N GLY A 397 -0.784 6.772 -9.237 1.00 0.00 N ATOM 265 CA GLY A 397 -0.459 8.180 -9.490 1.00 0.00 C ATOM 266 C GLY A 397 0.881 8.389 -10.217 1.00 0.00 C ATOM 267 O GLY A 397 1.429 7.436 -10.785 1.00 0.00 O ATOM 0 H GLY A 397 -0.261 6.390 -8.449 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -1.257 8.626 -10.084 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -0.433 8.713 -8.540 1.00 0.00 H new ATOM 271 N PRO A 398 1.408 9.632 -10.223 1.00 0.00 N ATOM 272 CA PRO A 398 2.628 10.007 -10.942 1.00 0.00 C ATOM 273 C PRO A 398 3.906 9.496 -10.251 1.00 0.00 C ATOM 274 O PRO A 398 3.855 8.855 -9.201 1.00 0.00 O ATOM 275 CB PRO A 398 2.575 11.540 -11.023 1.00 0.00 C ATOM 276 CG PRO A 398 1.832 11.933 -9.749 1.00 0.00 C ATOM 277 CD PRO A 398 0.808 10.810 -9.603 1.00 0.00 C ATOM 0 HA PRO A 398 2.670 9.550 -11.931 1.00 0.00 H new ATOM 0 HB2 PRO A 398 3.573 11.976 -11.057 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.049 11.878 -11.916 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.500 11.987 -8.890 1.00 0.00 H new ATOM 0 HG3 PRO A 398 1.354 12.908 -9.843 1.00 0.00 H new ATOM 0 HD2 PRO A 398 0.580 10.625 -8.553 1.00 0.00 H new ATOM 0 HD3 PRO A 398 -0.130 11.072 -10.092 1.00 0.00 H new ATOM 285 N GLU A 399 5.066 9.792 -10.848 1.00 0.00 N ATOM 286 CA GLU A 399 6.388 9.427 -10.325 1.00 0.00 C ATOM 287 C GLU A 399 6.589 9.928 -8.882 1.00 0.00 C ATOM 288 O GLU A 399 6.444 11.118 -8.587 1.00 0.00 O ATOM 289 CB GLU A 399 7.479 9.969 -11.269 1.00 0.00 C ATOM 290 CG GLU A 399 8.896 9.576 -10.826 1.00 0.00 C ATOM 291 CD GLU A 399 9.968 9.977 -11.855 1.00 0.00 C ATOM 292 OE1 GLU A 399 9.976 11.137 -12.328 1.00 0.00 O ATOM 293 OE2 GLU A 399 10.840 9.130 -12.164 1.00 0.00 O ATOM 0 H GLU A 399 5.113 10.304 -11.729 1.00 0.00 H new ATOM 0 HA GLU A 399 6.461 8.340 -10.287 1.00 0.00 H new ATOM 0 HB2 GLU A 399 7.301 9.594 -12.277 1.00 0.00 H new ATOM 0 HB3 GLU A 399 7.406 11.056 -11.316 1.00 0.00 H new ATOM 0 HG2 GLU A 399 9.119 10.050 -9.870 1.00 0.00 H new ATOM 0 HG3 GLU A 399 8.937 8.499 -10.664 1.00 0.00 H new ATOM 300 N GLY A 400 6.915 8.998 -7.974 1.00 0.00 N ATOM 301 CA GLY A 400 7.150 9.265 -6.547 1.00 0.00 C ATOM 302 C GLY A 400 5.891 9.215 -5.674 1.00 0.00 C ATOM 303 O GLY A 400 6.003 9.309 -4.453 1.00 0.00 O ATOM 0 H GLY A 400 7.026 8.014 -8.217 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.868 8.538 -6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.608 10.249 -6.445 1.00 0.00 H new ATOM 307 N ALA A 401 4.701 9.070 -6.268 1.00 0.00 N ATOM 308 CA ALA A 401 3.418 9.072 -5.556 1.00 0.00 C ATOM 309 C ALA A 401 2.919 7.673 -5.140 1.00 0.00 C ATOM 310 O ALA A 401 1.878 7.569 -4.489 1.00 0.00 O ATOM 311 CB ALA A 401 2.392 9.788 -6.439 1.00 0.00 C ATOM 0 H ALA A 401 4.601 8.946 -7.275 1.00 0.00 H new ATOM 0 HA ALA A 401 3.560 9.597 -4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 401 1.426 9.805 -5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 401 2.722 10.810 -6.625 1.00 0.00 H new ATOM 0 HB3 ALA A 401 2.296 9.259 -7.387 1.00 0.00 H new ATOM 317 N ASN A 402 3.639 6.606 -5.508 1.00 0.00 N ATOM 318 CA ASN A 402 3.180 5.215 -5.389 1.00 0.00 C ATOM 319 C ASN A 402 4.051 4.430 -4.392 1.00 0.00 C ATOM 320 O ASN A 402 5.281 4.439 -4.487 1.00 0.00 O ATOM 321 CB ASN A 402 3.155 4.576 -6.789 1.00 0.00 C ATOM 322 CG ASN A 402 2.473 5.466 -7.834 1.00 0.00 C ATOM 323 OD1 ASN A 402 1.486 6.141 -7.577 1.00 0.00 O ATOM 324 ND2 ASN A 402 3.007 5.534 -9.039 1.00 0.00 N ATOM 0 H ASN A 402 4.575 6.686 -5.905 1.00 0.00 H new ATOM 0 HA ASN A 402 2.167 5.190 -4.986 1.00 0.00 H new ATOM 0 HB2 ASN A 402 4.177 4.367 -7.107 1.00 0.00 H new ATOM 0 HB3 ASN A 402 2.635 3.619 -6.738 1.00 0.00 H new ATOM 0 HD21 ASN A 402 2.597 6.145 -9.745 1.00 0.00 H new ATOM 0 HD22 ASN A 402 3.830 4.975 -9.264 1.00 0.00 H new ATOM 331 N LEU A 403 3.405 3.768 -3.428 1.00 0.00 N ATOM 332 CA LEU A 403 3.992 3.150 -2.235 1.00 0.00 C ATOM 333 C LEU A 403 3.613 1.672 -2.094 1.00 0.00 C ATOM 334 O LEU A 403 2.459 1.295 -2.313 1.00 0.00 O ATOM 335 CB LEU A 403 3.454 3.855 -0.967 1.00 0.00 C ATOM 336 CG LEU A 403 3.468 5.393 -0.918 1.00 0.00 C ATOM 337 CD1 LEU A 403 3.016 5.851 0.473 1.00 0.00 C ATOM 338 CD2 LEU A 403 4.855 5.953 -1.223 1.00 0.00 C ATOM 0 H LEU A 403 2.393 3.641 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 403 5.073 3.245 -2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 403 2.425 3.528 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 403 4.030 3.491 -0.116 1.00 0.00 H new ATOM 0 HG LEU A 403 2.786 5.769 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 403 3.023 6.940 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 403 2.007 5.486 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 403 3.696 5.453 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 403 4.826 7.042 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 403 5.568 5.579 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 403 5.163 5.638 -2.220 1.00 0.00 H new ATOM 350 N PHE A 404 4.562 0.869 -1.615 1.00 0.00 N ATOM 351 CA PHE A 404 4.364 -0.502 -1.150 1.00 0.00 C ATOM 352 C PHE A 404 4.554 -0.532 0.372 1.00 0.00 C ATOM 353 O PHE A 404 5.472 0.092 0.909 1.00 0.00 O ATOM 354 CB PHE A 404 5.336 -1.453 -1.853 1.00 0.00 C ATOM 355 CG PHE A 404 4.951 -1.768 -3.283 1.00 0.00 C ATOM 356 CD1 PHE A 404 5.321 -0.896 -4.325 1.00 0.00 C ATOM 357 CD2 PHE A 404 4.197 -2.922 -3.570 1.00 0.00 C ATOM 358 CE1 PHE A 404 4.931 -1.179 -5.646 1.00 0.00 C ATOM 359 CE2 PHE A 404 3.820 -3.210 -4.894 1.00 0.00 C ATOM 360 CZ PHE A 404 4.187 -2.336 -5.933 1.00 0.00 C ATOM 0 H PHE A 404 5.533 1.171 -1.537 1.00 0.00 H new ATOM 0 HA PHE A 404 3.356 -0.837 -1.392 1.00 0.00 H new ATOM 0 HB2 PHE A 404 6.333 -1.012 -1.843 1.00 0.00 H new ATOM 0 HB3 PHE A 404 5.393 -2.383 -1.288 1.00 0.00 H new ATOM 0 HD1 PHE A 404 5.903 -0.012 -4.110 1.00 0.00 H new ATOM 0 HD2 PHE A 404 3.907 -3.588 -2.771 1.00 0.00 H new ATOM 0 HE1 PHE A 404 5.204 -0.504 -6.444 1.00 0.00 H new ATOM 0 HE2 PHE A 404 3.250 -4.101 -5.112 1.00 0.00 H new ATOM 0 HZ PHE A 404 3.897 -2.554 -6.950 1.00 0.00 H new ATOM 370 N ILE A 405 3.653 -1.230 1.064 1.00 0.00 N ATOM 371 CA ILE A 405 3.561 -1.297 2.528 1.00 0.00 C ATOM 372 C ILE A 405 3.741 -2.761 2.945 1.00 0.00 C ATOM 373 O ILE A 405 3.136 -3.648 2.348 1.00 0.00 O ATOM 374 CB ILE A 405 2.200 -0.739 3.030 1.00 0.00 C ATOM 375 CG1 ILE A 405 1.930 0.761 2.759 1.00 0.00 C ATOM 376 CG2 ILE A 405 2.103 -0.907 4.560 1.00 0.00 C ATOM 377 CD1 ILE A 405 1.772 1.217 1.307 1.00 0.00 C ATOM 0 H ILE A 405 2.935 -1.789 0.602 1.00 0.00 H new ATOM 0 HA ILE A 405 4.340 -0.681 2.978 1.00 0.00 H new ATOM 0 HB ILE A 405 1.468 -1.314 2.463 1.00 0.00 H new ATOM 0 HG12 ILE A 405 1.023 1.038 3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 405 2.748 1.331 3.200 1.00 0.00 H new ATOM 0 HG21 ILE A 405 1.148 -0.515 4.909 1.00 0.00 H new ATOM 0 HG22 ILE A 405 2.177 -1.964 4.815 1.00 0.00 H new ATOM 0 HG23 ILE A 405 2.916 -0.361 5.038 1.00 0.00 H new ATOM 0 HD11 ILE A 405 1.588 2.291 1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 405 2.684 0.991 0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 405 0.932 0.694 0.851 1.00 0.00 H new ATOM 389 N TYR A 406 4.541 -3.014 3.977 1.00 0.00 N ATOM 390 CA TYR A 406 4.881 -4.357 4.467 1.00 0.00 C ATOM 391 C TYR A 406 4.728 -4.491 5.994 1.00 0.00 C ATOM 392 O TYR A 406 4.716 -3.500 6.727 1.00 0.00 O ATOM 393 CB TYR A 406 6.317 -4.720 4.050 1.00 0.00 C ATOM 394 CG TYR A 406 6.697 -4.407 2.613 1.00 0.00 C ATOM 395 CD1 TYR A 406 6.441 -5.341 1.591 1.00 0.00 C ATOM 396 CD2 TYR A 406 7.334 -3.188 2.304 1.00 0.00 C ATOM 397 CE1 TYR A 406 6.824 -5.064 0.266 1.00 0.00 C ATOM 398 CE2 TYR A 406 7.721 -2.904 0.981 1.00 0.00 C ATOM 399 CZ TYR A 406 7.475 -3.847 -0.042 1.00 0.00 C ATOM 400 OH TYR A 406 7.870 -3.592 -1.321 1.00 0.00 O ATOM 0 H TYR A 406 4.987 -2.271 4.515 1.00 0.00 H new ATOM 0 HA TYR A 406 4.174 -5.051 4.013 1.00 0.00 H new ATOM 0 HB2 TYR A 406 7.008 -4.195 4.709 1.00 0.00 H new ATOM 0 HB3 TYR A 406 6.463 -5.787 4.219 1.00 0.00 H new ATOM 0 HD1 TYR A 406 5.949 -6.273 1.825 1.00 0.00 H new ATOM 0 HD2 TYR A 406 7.526 -2.469 3.086 1.00 0.00 H new ATOM 0 HE1 TYR A 406 6.621 -5.781 -0.516 1.00 0.00 H new ATOM 0 HE2 TYR A 406 8.205 -1.967 0.748 1.00 0.00 H new ATOM 0 HH TYR A 406 8.300 -2.712 -1.361 1.00 0.00 H new ATOM 410 N HIS A 407 4.622 -5.739 6.461 1.00 0.00 N ATOM 411 CA HIS A 407 4.448 -6.166 7.859 1.00 0.00 C ATOM 412 C HIS A 407 3.058 -5.822 8.451 1.00 0.00 C ATOM 413 O HIS A 407 2.914 -5.663 9.663 1.00 0.00 O ATOM 414 CB HIS A 407 5.642 -5.710 8.720 1.00 0.00 C ATOM 415 CG HIS A 407 6.965 -6.208 8.207 1.00 0.00 C ATOM 416 ND1 HIS A 407 7.374 -7.544 8.201 1.00 0.00 N ATOM 417 CD2 HIS A 407 7.941 -5.440 7.645 1.00 0.00 C ATOM 418 CE1 HIS A 407 8.592 -7.544 7.633 1.00 0.00 C ATOM 419 NE2 HIS A 407 8.959 -6.296 7.288 1.00 0.00 N ATOM 0 H HIS A 407 4.658 -6.538 5.828 1.00 0.00 H new ATOM 0 HA HIS A 407 4.454 -7.256 7.871 1.00 0.00 H new ATOM 0 HB2 HIS A 407 5.660 -4.621 8.757 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.500 -6.061 9.742 1.00 0.00 H new ATOM 0 HD2 HIS A 407 7.920 -4.369 7.507 1.00 0.00 H new ATOM 0 HE1 HIS A 407 9.195 -8.426 7.475 1.00 0.00 H new ATOM 0 HE2 HIS A 407 9.837 -6.031 6.841 1.00 0.00 H new ATOM 427 N LEU A 408 2.022 -5.734 7.605 1.00 0.00 N ATOM 428 CA LEU A 408 0.631 -5.446 8.001 1.00 0.00 C ATOM 429 C LEU A 408 0.018 -6.586 8.844 1.00 0.00 C ATOM 430 O LEU A 408 0.496 -7.723 8.769 1.00 0.00 O ATOM 431 CB LEU A 408 -0.225 -5.189 6.738 1.00 0.00 C ATOM 432 CG LEU A 408 0.071 -3.865 6.006 1.00 0.00 C ATOM 433 CD1 LEU A 408 -0.583 -3.885 4.616 1.00 0.00 C ATOM 434 CD2 LEU A 408 -0.462 -2.657 6.792 1.00 0.00 C ATOM 0 H LEU A 408 2.128 -5.864 6.599 1.00 0.00 H new ATOM 0 HA LEU A 408 0.639 -4.554 8.628 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -0.073 -6.013 6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -1.277 -5.202 7.022 1.00 0.00 H new ATOM 0 HG LEU A 408 1.153 -3.769 5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.372 -2.948 4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -0.181 -4.716 4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -1.661 -4.006 4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -0.236 -1.740 6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -1.541 -2.750 6.914 1.00 0.00 H new ATOM 0 HD23 LEU A 408 0.013 -2.623 7.773 1.00 0.00 H new ATOM 446 N PRO A 409 -1.040 -6.323 9.638 1.00 0.00 N ATOM 447 CA PRO A 409 -1.828 -7.371 10.288 1.00 0.00 C ATOM 448 C PRO A 409 -2.487 -8.300 9.251 1.00 0.00 C ATOM 449 O PRO A 409 -2.874 -7.853 8.173 1.00 0.00 O ATOM 450 CB PRO A 409 -2.873 -6.638 11.144 1.00 0.00 C ATOM 451 CG PRO A 409 -2.288 -5.240 11.334 1.00 0.00 C ATOM 452 CD PRO A 409 -1.511 -5.006 10.043 1.00 0.00 C ATOM 0 HA PRO A 409 -1.203 -8.019 10.903 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -3.841 -6.600 10.645 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -3.027 -7.139 12.100 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -3.069 -4.493 11.474 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -1.639 -5.191 12.208 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -2.146 -4.562 9.276 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -0.678 -4.322 10.203 1.00 0.00 H new ATOM 460 N GLN A 410 -2.649 -9.589 9.578 1.00 0.00 N ATOM 461 CA GLN A 410 -3.243 -10.589 8.667 1.00 0.00 C ATOM 462 C GLN A 410 -4.760 -10.421 8.440 1.00 0.00 C ATOM 463 O GLN A 410 -5.344 -11.078 7.577 1.00 0.00 O ATOM 464 CB GLN A 410 -2.912 -12.006 9.163 1.00 0.00 C ATOM 465 CG GLN A 410 -3.611 -12.408 10.476 1.00 0.00 C ATOM 466 CD GLN A 410 -3.282 -13.845 10.892 1.00 0.00 C ATOM 467 OE1 GLN A 410 -2.130 -14.254 10.984 1.00 0.00 O ATOM 468 NE2 GLN A 410 -4.270 -14.674 11.166 1.00 0.00 N ATOM 0 H GLN A 410 -2.373 -9.973 10.482 1.00 0.00 H new ATOM 0 HA GLN A 410 -2.792 -10.421 7.689 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -3.186 -12.721 8.387 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -1.834 -12.085 9.302 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -3.310 -11.724 11.270 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -4.690 -12.304 10.358 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -5.237 -14.356 11.096 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -4.068 -15.633 11.448 1.00 0.00 H new ATOM 477 N GLU A 411 -5.388 -9.537 9.215 1.00 0.00 N ATOM 478 CA GLU A 411 -6.816 -9.193 9.169 1.00 0.00 C ATOM 479 C GLU A 411 -7.110 -7.814 8.545 1.00 0.00 C ATOM 480 O GLU A 411 -8.272 -7.468 8.315 1.00 0.00 O ATOM 481 CB GLU A 411 -7.388 -9.277 10.591 1.00 0.00 C ATOM 482 CG GLU A 411 -6.821 -8.238 11.573 1.00 0.00 C ATOM 483 CD GLU A 411 -7.422 -8.432 12.973 1.00 0.00 C ATOM 484 OE1 GLU A 411 -8.480 -7.830 13.273 1.00 0.00 O ATOM 485 OE2 GLU A 411 -6.836 -9.186 13.786 1.00 0.00 O ATOM 0 H GLU A 411 -4.890 -9.011 9.933 1.00 0.00 H new ATOM 0 HA GLU A 411 -7.302 -9.913 8.511 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -8.470 -9.157 10.541 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -7.196 -10.274 10.987 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -5.736 -8.330 11.621 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -7.040 -7.233 11.214 1.00 0.00 H new ATOM 492 N PHE A 412 -6.066 -7.022 8.278 1.00 0.00 N ATOM 493 CA PHE A 412 -6.160 -5.676 7.702 1.00 0.00 C ATOM 494 C PHE A 412 -6.632 -5.741 6.241 1.00 0.00 C ATOM 495 O PHE A 412 -6.018 -6.432 5.425 1.00 0.00 O ATOM 496 CB PHE A 412 -4.794 -4.967 7.823 1.00 0.00 C ATOM 497 CG PHE A 412 -4.861 -3.574 8.415 1.00 0.00 C ATOM 498 CD1 PHE A 412 -5.261 -3.413 9.755 1.00 0.00 C ATOM 499 CD2 PHE A 412 -4.499 -2.446 7.651 1.00 0.00 C ATOM 500 CE1 PHE A 412 -5.315 -2.130 10.326 1.00 0.00 C ATOM 501 CE2 PHE A 412 -4.548 -1.164 8.226 1.00 0.00 C ATOM 502 CZ PHE A 412 -4.965 -1.006 9.560 1.00 0.00 C ATOM 0 H PHE A 412 -5.104 -7.308 8.462 1.00 0.00 H new ATOM 0 HA PHE A 412 -6.900 -5.099 8.255 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -4.134 -5.579 8.439 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -4.341 -4.906 6.833 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -5.527 -4.277 10.346 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -4.184 -2.566 6.625 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -5.625 -2.008 11.353 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -4.265 -0.300 7.643 1.00 0.00 H new ATOM 0 HZ PHE A 412 -5.016 -0.019 9.996 1.00 0.00 H new ATOM 512 N GLY A 413 -7.714 -5.032 5.906 1.00 0.00 N ATOM 513 CA GLY A 413 -8.293 -4.985 4.560 1.00 0.00 C ATOM 514 C GLY A 413 -8.015 -3.684 3.812 1.00 0.00 C ATOM 515 O GLY A 413 -7.280 -2.809 4.269 1.00 0.00 O ATOM 0 H GLY A 413 -8.224 -4.461 6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 413 -7.901 -5.819 3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -9.371 -5.127 4.634 1.00 0.00 H new ATOM 519 N ASP A 414 -8.629 -3.554 2.637 1.00 0.00 N ATOM 520 CA ASP A 414 -8.359 -2.455 1.701 1.00 0.00 C ATOM 521 C ASP A 414 -8.876 -1.099 2.203 1.00 0.00 C ATOM 522 O ASP A 414 -8.229 -0.072 1.997 1.00 0.00 O ATOM 523 CB ASP A 414 -8.988 -2.773 0.339 1.00 0.00 C ATOM 524 CG ASP A 414 -8.600 -4.155 -0.205 1.00 0.00 C ATOM 525 OD1 ASP A 414 -7.385 -4.452 -0.246 1.00 0.00 O ATOM 526 OD2 ASP A 414 -9.511 -4.930 -0.578 1.00 0.00 O ATOM 0 H ASP A 414 -9.333 -4.211 2.302 1.00 0.00 H new ATOM 0 HA ASP A 414 -7.276 -2.370 1.612 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -10.073 -2.717 0.426 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -8.686 -2.010 -0.379 1.00 0.00 H new ATOM 531 N GLN A 415 -10.017 -1.100 2.902 1.00 0.00 N ATOM 532 CA GLN A 415 -10.570 0.093 3.548 1.00 0.00 C ATOM 533 C GLN A 415 -9.793 0.459 4.823 1.00 0.00 C ATOM 534 O GLN A 415 -9.697 1.639 5.157 1.00 0.00 O ATOM 535 CB GLN A 415 -12.058 -0.117 3.876 1.00 0.00 C ATOM 536 CG GLN A 415 -12.947 -0.247 2.624 1.00 0.00 C ATOM 537 CD GLN A 415 -14.440 -0.363 2.961 1.00 0.00 C ATOM 538 OE1 GLN A 415 -14.847 -0.796 4.035 1.00 0.00 O ATOM 539 NE2 GLN A 415 -15.329 0.021 2.067 1.00 0.00 N ATOM 0 H GLN A 415 -10.586 -1.936 3.035 1.00 0.00 H new ATOM 0 HA GLN A 415 -10.472 0.923 2.848 1.00 0.00 H new ATOM 0 HB2 GLN A 415 -12.165 -1.015 4.484 1.00 0.00 H new ATOM 0 HB3 GLN A 415 -12.411 0.720 4.479 1.00 0.00 H new ATOM 0 HG2 GLN A 415 -12.791 0.620 1.982 1.00 0.00 H new ATOM 0 HG3 GLN A 415 -12.639 -1.124 2.055 1.00 0.00 H new ATOM 0 HE21 GLN A 415 -15.021 0.385 1.165 1.00 0.00 H new ATOM 0 HE22 GLN A 415 -16.325 -0.046 2.277 1.00 0.00 H new ATOM 548 N ASP A 416 -9.190 -0.520 5.507 1.00 0.00 N ATOM 549 CA ASP A 416 -8.338 -0.277 6.677 1.00 0.00 C ATOM 550 C ASP A 416 -7.019 0.388 6.259 1.00 0.00 C ATOM 551 O ASP A 416 -6.604 1.367 6.880 1.00 0.00 O ATOM 552 CB ASP A 416 -8.062 -1.582 7.438 1.00 0.00 C ATOM 553 CG ASP A 416 -9.337 -2.274 7.938 1.00 0.00 C ATOM 554 OD1 ASP A 416 -10.003 -1.730 8.852 1.00 0.00 O ATOM 555 OD2 ASP A 416 -9.648 -3.376 7.428 1.00 0.00 O ATOM 0 H ASP A 416 -9.279 -1.507 5.264 1.00 0.00 H new ATOM 0 HA ASP A 416 -8.871 0.400 7.344 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -7.517 -2.266 6.787 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -7.415 -1.368 8.289 1.00 0.00 H new ATOM 560 N LEU A 417 -6.397 -0.082 5.167 1.00 0.00 N ATOM 561 CA LEU A 417 -5.209 0.547 4.593 1.00 0.00 C ATOM 562 C LEU A 417 -5.525 1.932 4.005 1.00 0.00 C ATOM 563 O LEU A 417 -4.718 2.846 4.159 1.00 0.00 O ATOM 564 CB LEU A 417 -4.577 -0.400 3.554 1.00 0.00 C ATOM 565 CG LEU A 417 -3.154 0.023 3.127 1.00 0.00 C ATOM 566 CD1 LEU A 417 -2.148 -0.127 4.278 1.00 0.00 C ATOM 567 CD2 LEU A 417 -2.693 -0.830 1.940 1.00 0.00 C ATOM 0 H LEU A 417 -6.708 -0.911 4.660 1.00 0.00 H new ATOM 0 HA LEU A 417 -4.482 0.719 5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 417 -4.540 -1.408 3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 417 -5.217 -0.440 2.672 1.00 0.00 H new ATOM 0 HG LEU A 417 -3.193 1.074 2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 417 -1.159 0.180 3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 417 -2.456 0.500 5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 417 -2.115 -1.168 4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 417 -1.689 -0.528 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 417 -2.685 -1.881 2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 417 -3.377 -0.689 1.103 1.00 0.00 H new ATOM 579 N LEU A 418 -6.709 2.126 3.408 1.00 0.00 N ATOM 580 CA LEU A 418 -7.165 3.447 2.959 1.00 0.00 C ATOM 581 C LEU A 418 -7.301 4.412 4.145 1.00 0.00 C ATOM 582 O LEU A 418 -6.734 5.501 4.111 1.00 0.00 O ATOM 583 CB LEU A 418 -8.481 3.303 2.167 1.00 0.00 C ATOM 584 CG LEU A 418 -9.064 4.634 1.647 1.00 0.00 C ATOM 585 CD1 LEU A 418 -8.108 5.359 0.690 1.00 0.00 C ATOM 586 CD2 LEU A 418 -10.402 4.389 0.941 1.00 0.00 C ATOM 0 H LEU A 418 -7.374 1.375 3.224 1.00 0.00 H new ATOM 0 HA LEU A 418 -6.419 3.878 2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -8.309 2.640 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -9.222 2.820 2.804 1.00 0.00 H new ATOM 0 HG LEU A 418 -9.213 5.274 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -8.566 6.289 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -7.174 5.581 1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -7.904 4.723 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -10.801 5.337 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -10.251 3.714 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -11.107 3.942 1.642 1.00 0.00 H new ATOM 598 N GLN A 419 -8.003 4.020 5.211 1.00 0.00 N ATOM 599 CA GLN A 419 -8.199 4.867 6.395 1.00 0.00 C ATOM 600 C GLN A 419 -6.903 5.102 7.192 1.00 0.00 C ATOM 601 O GLN A 419 -6.784 6.124 7.869 1.00 0.00 O ATOM 602 CB GLN A 419 -9.309 4.271 7.276 1.00 0.00 C ATOM 603 CG GLN A 419 -10.695 4.469 6.635 1.00 0.00 C ATOM 604 CD GLN A 419 -11.840 3.806 7.406 1.00 0.00 C ATOM 605 OE1 GLN A 419 -11.739 3.428 8.568 1.00 0.00 O ATOM 606 NE2 GLN A 419 -12.996 3.660 6.790 1.00 0.00 N ATOM 0 H GLN A 419 -8.452 3.107 5.280 1.00 0.00 H new ATOM 0 HA GLN A 419 -8.507 5.854 6.049 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -9.124 3.208 7.428 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -9.289 4.742 8.259 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -10.897 5.537 6.553 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -10.675 4.070 5.621 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -13.101 3.968 5.823 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -13.785 3.239 7.280 1.00 0.00 H new ATOM 615 N MET A 420 -5.908 4.219 7.061 1.00 0.00 N ATOM 616 CA MET A 420 -4.561 4.404 7.610 1.00 0.00 C ATOM 617 C MET A 420 -3.730 5.437 6.824 1.00 0.00 C ATOM 618 O MET A 420 -2.886 6.099 7.429 1.00 0.00 O ATOM 619 CB MET A 420 -3.881 3.023 7.676 1.00 0.00 C ATOM 620 CG MET A 420 -2.431 3.056 8.169 1.00 0.00 C ATOM 621 SD MET A 420 -1.640 1.426 8.214 1.00 0.00 S ATOM 622 CE MET A 420 -2.059 0.935 9.901 1.00 0.00 C ATOM 0 H MET A 420 -6.019 3.337 6.560 1.00 0.00 H new ATOM 0 HA MET A 420 -4.635 4.824 8.613 1.00 0.00 H new ATOM 0 HB2 MET A 420 -4.461 2.377 8.334 1.00 0.00 H new ATOM 0 HB3 MET A 420 -3.905 2.572 6.684 1.00 0.00 H new ATOM 0 HG2 MET A 420 -1.851 3.714 7.521 1.00 0.00 H new ATOM 0 HG3 MET A 420 -2.406 3.490 9.169 1.00 0.00 H new ATOM 0 HE1 MET A 420 -1.907 -0.138 10.016 1.00 0.00 H new ATOM 0 HE2 MET A 420 -1.421 1.469 10.605 1.00 0.00 H new ATOM 0 HE3 MET A 420 -3.103 1.177 10.102 1.00 0.00 H new ATOM 632 N PHE A 421 -3.973 5.617 5.516 1.00 0.00 N ATOM 633 CA PHE A 421 -3.158 6.459 4.623 1.00 0.00 C ATOM 634 C PHE A 421 -3.842 7.759 4.147 1.00 0.00 C ATOM 635 O PHE A 421 -3.149 8.711 3.783 1.00 0.00 O ATOM 636 CB PHE A 421 -2.612 5.597 3.466 1.00 0.00 C ATOM 637 CG PHE A 421 -1.367 4.793 3.826 1.00 0.00 C ATOM 638 CD1 PHE A 421 -1.448 3.687 4.694 1.00 0.00 C ATOM 639 CD2 PHE A 421 -0.104 5.168 3.321 1.00 0.00 C ATOM 640 CE1 PHE A 421 -0.286 3.003 5.092 1.00 0.00 C ATOM 641 CE2 PHE A 421 1.060 4.489 3.723 1.00 0.00 C ATOM 642 CZ PHE A 421 0.970 3.418 4.625 1.00 0.00 C ATOM 0 H PHE A 421 -4.757 5.173 5.039 1.00 0.00 H new ATOM 0 HA PHE A 421 -2.321 6.835 5.212 1.00 0.00 H new ATOM 0 HB2 PHE A 421 -3.393 4.911 3.138 1.00 0.00 H new ATOM 0 HB3 PHE A 421 -2.381 6.245 2.621 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -2.412 3.361 5.057 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -0.030 5.985 2.618 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -0.360 2.156 5.759 1.00 0.00 H new ATOM 0 HE2 PHE A 421 2.022 4.792 3.338 1.00 0.00 H new ATOM 0 HZ PHE A 421 1.865 2.915 4.959 1.00 0.00 H new ATOM 652 N MET A 422 -5.172 7.886 4.239 1.00 0.00 N ATOM 653 CA MET A 422 -5.897 9.144 4.002 1.00 0.00 C ATOM 654 C MET A 422 -5.424 10.362 4.833 1.00 0.00 C ATOM 655 O MET A 422 -5.463 11.467 4.283 1.00 0.00 O ATOM 656 CB MET A 422 -7.402 8.913 4.210 1.00 0.00 C ATOM 657 CG MET A 422 -8.070 8.326 2.962 1.00 0.00 C ATOM 658 SD MET A 422 -9.885 8.389 2.934 1.00 0.00 S ATOM 659 CE MET A 422 -10.302 7.408 4.398 1.00 0.00 C ATOM 0 H MET A 422 -5.784 7.108 4.483 1.00 0.00 H new ATOM 0 HA MET A 422 -5.673 9.415 2.970 1.00 0.00 H new ATOM 0 HB2 MET A 422 -7.552 8.238 5.053 1.00 0.00 H new ATOM 0 HB3 MET A 422 -7.882 9.857 4.468 1.00 0.00 H new ATOM 0 HG2 MET A 422 -7.693 8.857 2.088 1.00 0.00 H new ATOM 0 HG3 MET A 422 -7.760 7.286 2.862 1.00 0.00 H new ATOM 0 HE1 MET A 422 -11.386 7.330 4.487 1.00 0.00 H new ATOM 0 HE2 MET A 422 -9.873 6.410 4.302 1.00 0.00 H new ATOM 0 HE3 MET A 422 -9.898 7.892 5.287 1.00 0.00 H new ATOM 669 N PRO A 423 -4.955 10.222 6.095 1.00 0.00 N ATOM 670 CA PRO A 423 -4.456 11.339 6.903 1.00 0.00 C ATOM 671 C PRO A 423 -3.271 12.126 6.317 1.00 0.00 C ATOM 672 O PRO A 423 -3.011 13.236 6.783 1.00 0.00 O ATOM 673 CB PRO A 423 -4.079 10.731 8.258 1.00 0.00 C ATOM 674 CG PRO A 423 -5.038 9.552 8.384 1.00 0.00 C ATOM 675 CD PRO A 423 -5.116 9.050 6.947 1.00 0.00 C ATOM 0 HA PRO A 423 -5.242 12.092 6.958 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.038 10.409 8.280 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.209 11.445 9.071 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.658 8.788 9.063 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -6.013 9.858 8.762 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.336 8.315 6.749 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -6.071 8.560 6.758 1.00 0.00 H new ATOM 683 N PHE A 424 -2.560 11.591 5.312 1.00 0.00 N ATOM 684 CA PHE A 424 -1.355 12.214 4.736 1.00 0.00 C ATOM 685 C PHE A 424 -1.606 12.935 3.402 1.00 0.00 C ATOM 686 O PHE A 424 -0.738 13.673 2.931 1.00 0.00 O ATOM 687 CB PHE A 424 -0.257 11.150 4.603 1.00 0.00 C ATOM 688 CG PHE A 424 -0.126 10.269 5.829 1.00 0.00 C ATOM 689 CD1 PHE A 424 0.171 10.837 7.082 1.00 0.00 C ATOM 690 CD2 PHE A 424 -0.404 8.895 5.735 1.00 0.00 C ATOM 691 CE1 PHE A 424 0.170 10.035 8.238 1.00 0.00 C ATOM 692 CE2 PHE A 424 -0.377 8.089 6.884 1.00 0.00 C ATOM 693 CZ PHE A 424 -0.109 8.661 8.138 1.00 0.00 C ATOM 0 H PHE A 424 -2.807 10.705 4.871 1.00 0.00 H new ATOM 0 HA PHE A 424 -1.033 12.999 5.420 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -0.469 10.525 3.736 1.00 0.00 H new ATOM 0 HB3 PHE A 424 0.697 11.643 4.415 1.00 0.00 H new ATOM 0 HD1 PHE A 424 0.400 11.890 7.156 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -0.639 8.458 4.776 1.00 0.00 H new ATOM 0 HE1 PHE A 424 0.383 10.475 9.201 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -0.563 7.028 6.803 1.00 0.00 H new ATOM 0 HZ PHE A 424 -0.117 8.045 9.025 1.00 0.00 H new ATOM 703 N GLY A 425 -2.801 12.765 2.820 1.00 0.00 N ATOM 704 CA GLY A 425 -3.282 13.520 1.656 1.00 0.00 C ATOM 705 C GLY A 425 -4.204 12.740 0.720 1.00 0.00 C ATOM 706 O GLY A 425 -4.839 11.762 1.112 1.00 0.00 O ATOM 0 H GLY A 425 -3.478 12.080 3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 425 -3.811 14.405 2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 425 -2.421 13.869 1.086 1.00 0.00 H new ATOM 710 N ASN A 426 -4.308 13.206 -0.526 1.00 0.00 N ATOM 711 CA ASN A 426 -5.282 12.717 -1.508 1.00 0.00 C ATOM 712 C ASN A 426 -4.891 11.335 -2.079 1.00 0.00 C ATOM 713 O ASN A 426 -4.120 11.245 -3.037 1.00 0.00 O ATOM 714 CB ASN A 426 -5.464 13.788 -2.600 1.00 0.00 C ATOM 715 CG ASN A 426 -6.557 13.451 -3.614 1.00 0.00 C ATOM 716 OD1 ASN A 426 -7.311 12.495 -3.474 1.00 0.00 O ATOM 717 ND2 ASN A 426 -6.684 14.245 -4.662 1.00 0.00 N ATOM 0 H ASN A 426 -3.708 13.947 -0.889 1.00 0.00 H new ATOM 0 HA ASN A 426 -6.241 12.555 -1.017 1.00 0.00 H new ATOM 0 HB2 ASN A 426 -5.701 14.741 -2.126 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -4.519 13.921 -3.128 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -7.410 14.063 -5.355 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -6.056 15.041 -4.778 1.00 0.00 H new ATOM 724 N VAL A 427 -5.425 10.264 -1.483 1.00 0.00 N ATOM 725 CA VAL A 427 -5.202 8.867 -1.898 1.00 0.00 C ATOM 726 C VAL A 427 -5.986 8.557 -3.185 1.00 0.00 C ATOM 727 O VAL A 427 -7.178 8.836 -3.289 1.00 0.00 O ATOM 728 CB VAL A 427 -5.566 7.858 -0.777 1.00 0.00 C ATOM 729 CG1 VAL A 427 -5.370 6.403 -1.236 1.00 0.00 C ATOM 730 CG2 VAL A 427 -4.703 8.059 0.480 1.00 0.00 C ATOM 0 H VAL A 427 -6.043 10.343 -0.675 1.00 0.00 H new ATOM 0 HA VAL A 427 -4.136 8.753 -2.097 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.615 8.045 -0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -5.635 5.726 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -6.008 6.204 -2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -4.328 6.246 -1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -4.991 7.332 1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.652 7.921 0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -4.853 9.067 0.867 1.00 0.00 H new ATOM 740 N VAL A 428 -5.285 7.955 -4.146 1.00 0.00 N ATOM 741 CA VAL A 428 -5.743 7.550 -5.489 1.00 0.00 C ATOM 742 C VAL A 428 -5.918 6.022 -5.605 1.00 0.00 C ATOM 743 O VAL A 428 -6.669 5.549 -6.454 1.00 0.00 O ATOM 744 CB VAL A 428 -4.738 8.092 -6.543 1.00 0.00 C ATOM 745 CG1 VAL A 428 -4.852 7.480 -7.949 1.00 0.00 C ATOM 746 CG2 VAL A 428 -4.899 9.616 -6.673 1.00 0.00 C ATOM 0 H VAL A 428 -4.304 7.716 -4.001 1.00 0.00 H new ATOM 0 HA VAL A 428 -6.728 7.979 -5.672 1.00 0.00 H new ATOM 0 HB VAL A 428 -3.758 7.802 -6.163 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -4.105 7.930 -8.603 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -4.685 6.404 -7.892 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -5.847 7.672 -8.350 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -4.193 9.995 -7.413 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -5.916 9.849 -6.989 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -4.702 10.086 -5.710 1.00 0.00 H new ATOM 756 N SER A 429 -5.277 5.234 -4.736 1.00 0.00 N ATOM 757 CA SER A 429 -5.383 3.767 -4.701 1.00 0.00 C ATOM 758 C SER A 429 -4.941 3.225 -3.336 1.00 0.00 C ATOM 759 O SER A 429 -4.065 3.823 -2.710 1.00 0.00 O ATOM 760 CB SER A 429 -4.525 3.149 -5.809 1.00 0.00 C ATOM 761 OG SER A 429 -5.005 1.862 -6.152 1.00 0.00 O ATOM 0 H SER A 429 -4.654 5.605 -4.019 1.00 0.00 H new ATOM 0 HA SER A 429 -6.426 3.495 -4.863 1.00 0.00 H new ATOM 0 HB2 SER A 429 -4.537 3.794 -6.688 1.00 0.00 H new ATOM 0 HB3 SER A 429 -3.489 3.080 -5.478 1.00 0.00 H new ATOM 0 HG SER A 429 -4.573 1.561 -6.978 1.00 0.00 H new ATOM 767 N ALA A 430 -5.527 2.113 -2.877 1.00 0.00 N ATOM 768 CA ALA A 430 -5.200 1.447 -1.612 1.00 0.00 C ATOM 769 C ALA A 430 -5.677 -0.016 -1.632 1.00 0.00 C ATOM 770 O ALA A 430 -6.857 -0.291 -1.850 1.00 0.00 O ATOM 771 CB ALA A 430 -5.832 2.224 -0.447 1.00 0.00 C ATOM 0 H ALA A 430 -6.266 1.637 -3.394 1.00 0.00 H new ATOM 0 HA ALA A 430 -4.118 1.436 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 430 -5.590 1.730 0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 430 -5.441 3.241 -0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 430 -6.914 2.253 -0.573 1.00 0.00 H new ATOM 777 N LYS A 431 -4.780 -0.972 -1.389 1.00 0.00 N ATOM 778 CA LYS A 431 -5.086 -2.405 -1.476 1.00 0.00 C ATOM 779 C LYS A 431 -4.156 -3.263 -0.607 1.00 0.00 C ATOM 780 O LYS A 431 -2.974 -2.955 -0.466 1.00 0.00 O ATOM 781 CB LYS A 431 -5.038 -2.834 -2.955 1.00 0.00 C ATOM 782 CG LYS A 431 -5.566 -4.264 -3.160 1.00 0.00 C ATOM 783 CD LYS A 431 -5.942 -4.501 -4.620 1.00 0.00 C ATOM 784 CE LYS A 431 -6.704 -5.825 -4.775 1.00 0.00 C ATOM 785 NZ LYS A 431 -7.419 -5.905 -6.077 1.00 0.00 N ATOM 0 H LYS A 431 -3.815 -0.776 -1.125 1.00 0.00 H new ATOM 0 HA LYS A 431 -6.088 -2.570 -1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -5.630 -2.140 -3.553 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -4.012 -2.772 -3.317 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -4.807 -4.984 -2.854 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -6.436 -4.429 -2.525 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -6.557 -3.677 -4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -5.042 -4.519 -5.234 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -6.005 -6.658 -4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -7.421 -5.929 -3.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -7.962 -6.791 -6.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -8.067 -5.097 -6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -6.728 -5.883 -6.854 1.00 0.00 H new ATOM 799 N VAL A 432 -4.679 -4.358 -0.067 1.00 0.00 N ATOM 800 CA VAL A 432 -3.948 -5.380 0.695 1.00 0.00 C ATOM 801 C VAL A 432 -4.096 -6.709 -0.046 1.00 0.00 C ATOM 802 O VAL A 432 -5.202 -7.087 -0.435 1.00 0.00 O ATOM 803 CB VAL A 432 -4.471 -5.530 2.143 1.00 0.00 C ATOM 804 CG1 VAL A 432 -3.549 -6.483 2.927 1.00 0.00 C ATOM 805 CG2 VAL A 432 -4.537 -4.196 2.904 1.00 0.00 C ATOM 0 H VAL A 432 -5.673 -4.573 -0.149 1.00 0.00 H new ATOM 0 HA VAL A 432 -2.904 -5.077 0.770 1.00 0.00 H new ATOM 0 HB VAL A 432 -5.485 -5.923 2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 432 -3.918 -6.589 3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 432 -3.538 -7.459 2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 432 -2.538 -6.076 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 432 -4.912 -4.371 3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 432 -3.540 -3.758 2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 432 -5.206 -3.512 2.382 1.00 0.00 H new ATOM 815 N PHE A 433 -2.979 -7.405 -0.262 1.00 0.00 N ATOM 816 CA PHE A 433 -2.954 -8.665 -1.002 1.00 0.00 C ATOM 817 C PHE A 433 -3.358 -9.834 -0.090 1.00 0.00 C ATOM 818 O PHE A 433 -2.952 -9.903 1.069 1.00 0.00 O ATOM 819 CB PHE A 433 -1.575 -8.823 -1.660 1.00 0.00 C ATOM 820 CG PHE A 433 -1.278 -7.696 -2.639 1.00 0.00 C ATOM 821 CD1 PHE A 433 -1.895 -7.680 -3.906 1.00 0.00 C ATOM 822 CD2 PHE A 433 -0.449 -6.623 -2.262 1.00 0.00 C ATOM 823 CE1 PHE A 433 -1.682 -6.601 -4.784 1.00 0.00 C ATOM 824 CE2 PHE A 433 -0.227 -5.549 -3.141 1.00 0.00 C ATOM 825 CZ PHE A 433 -0.847 -5.536 -4.403 1.00 0.00 C ATOM 0 H PHE A 433 -2.063 -7.108 0.073 1.00 0.00 H new ATOM 0 HA PHE A 433 -3.692 -8.663 -1.804 1.00 0.00 H new ATOM 0 HB2 PHE A 433 -0.805 -8.845 -0.888 1.00 0.00 H new ATOM 0 HB3 PHE A 433 -1.530 -9.779 -2.183 1.00 0.00 H new ATOM 0 HD1 PHE A 433 -2.533 -8.499 -4.204 1.00 0.00 H new ATOM 0 HD2 PHE A 433 0.020 -6.625 -1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 433 -2.161 -6.591 -5.752 1.00 0.00 H new ATOM 0 HE2 PHE A 433 0.419 -4.735 -2.848 1.00 0.00 H new ATOM 0 HZ PHE A 433 -0.682 -4.709 -5.078 1.00 0.00 H new ATOM 963 N LYS A 442 -1.745 -11.169 3.332 1.00 0.00 N ATOM 964 CA LYS A 442 -0.360 -11.660 3.253 1.00 0.00 C ATOM 965 C LYS A 442 0.673 -10.795 4.016 1.00 0.00 C ATOM 966 O LYS A 442 1.881 -10.962 3.835 1.00 0.00 O ATOM 967 CB LYS A 442 0.018 -11.808 1.764 1.00 0.00 C ATOM 968 CG LYS A 442 -0.836 -12.833 0.999 1.00 0.00 C ATOM 969 CD LYS A 442 -0.344 -12.953 -0.450 1.00 0.00 C ATOM 970 CE LYS A 442 -1.146 -14.020 -1.205 1.00 0.00 C ATOM 971 NZ LYS A 442 -0.666 -14.190 -2.601 1.00 0.00 N ATOM 0 HA LYS A 442 -0.325 -12.624 3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 442 -0.077 -10.837 1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.066 -12.099 1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 442 -0.781 -13.804 1.492 1.00 0.00 H new ATOM 0 HG3 LYS A 442 -1.882 -12.528 1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 442 -0.443 -11.992 -0.954 1.00 0.00 H new ATOM 0 HD3 LYS A 442 0.715 -13.211 -0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 442 -1.072 -14.971 -0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 442 -2.200 -13.742 -1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 -1.234 -14.920 -3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 -0.760 -13.290 -3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 0.333 -14.480 -2.592 1.00 0.00 H new ATOM 985 N CYS A 443 0.198 -9.835 4.819 1.00 0.00 N ATOM 986 CA CYS A 443 0.970 -8.826 5.560 1.00 0.00 C ATOM 987 C CYS A 443 1.652 -7.780 4.655 1.00 0.00 C ATOM 988 O CYS A 443 2.564 -7.094 5.114 1.00 0.00 O ATOM 989 CB CYS A 443 1.952 -9.489 6.547 1.00 0.00 C ATOM 990 SG CYS A 443 1.077 -10.643 7.648 1.00 0.00 S ATOM 0 H CYS A 443 -0.804 -9.735 4.980 1.00 0.00 H new ATOM 0 HA CYS A 443 0.249 -8.256 6.146 1.00 0.00 H new ATOM 0 HB2 CYS A 443 2.726 -10.022 5.995 1.00 0.00 H new ATOM 0 HB3 CYS A 443 2.453 -8.723 7.139 1.00 0.00 H new ATOM 0 HG CYS A 443 0.464 -9.974 8.579 1.00 0.00 H new ATOM 996 N PHE A 444 1.216 -7.610 3.403 1.00 0.00 N ATOM 997 CA PHE A 444 1.712 -6.552 2.517 1.00 0.00 C ATOM 998 C PHE A 444 0.622 -6.009 1.581 1.00 0.00 C ATOM 999 O PHE A 444 -0.370 -6.681 1.288 1.00 0.00 O ATOM 1000 CB PHE A 444 2.981 -7.004 1.768 1.00 0.00 C ATOM 1001 CG PHE A 444 2.769 -8.009 0.651 1.00 0.00 C ATOM 1002 CD1 PHE A 444 2.532 -7.564 -0.664 1.00 0.00 C ATOM 1003 CD2 PHE A 444 2.837 -9.391 0.913 1.00 0.00 C ATOM 1004 CE1 PHE A 444 2.340 -8.491 -1.703 1.00 0.00 C ATOM 1005 CE2 PHE A 444 2.648 -10.319 -0.127 1.00 0.00 C ATOM 1006 CZ PHE A 444 2.391 -9.870 -1.434 1.00 0.00 C ATOM 0 H PHE A 444 0.507 -8.204 2.974 1.00 0.00 H new ATOM 0 HA PHE A 444 1.999 -5.708 3.144 1.00 0.00 H new ATOM 0 HB2 PHE A 444 3.466 -6.122 1.350 1.00 0.00 H new ATOM 0 HB3 PHE A 444 3.673 -7.435 2.492 1.00 0.00 H new ATOM 0 HD1 PHE A 444 2.498 -6.505 -0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 444 3.035 -9.740 1.916 1.00 0.00 H new ATOM 0 HE1 PHE A 444 2.153 -8.144 -2.708 1.00 0.00 H new ATOM 0 HE2 PHE A 444 2.700 -11.378 0.079 1.00 0.00 H new ATOM 0 HZ PHE A 444 2.233 -10.583 -2.230 1.00 0.00 H new ATOM 1016 N GLY A 445 0.811 -4.760 1.157 1.00 0.00 N ATOM 1017 CA GLY A 445 -0.146 -3.946 0.411 1.00 0.00 C ATOM 1018 C GLY A 445 0.510 -2.852 -0.431 1.00 0.00 C ATOM 1019 O GLY A 445 1.736 -2.743 -0.509 1.00 0.00 O ATOM 0 H GLY A 445 1.684 -4.263 1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -0.731 -4.594 -0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -0.843 -3.486 1.111 1.00 0.00 H new ATOM 1023 N PHE A 446 -0.327 -2.036 -1.063 1.00 0.00 N ATOM 1024 CA PHE A 446 0.038 -0.982 -2.006 1.00 0.00 C ATOM 1025 C PHE A 446 -0.894 0.227 -1.832 1.00 0.00 C ATOM 1026 O PHE A 446 -2.084 0.056 -1.569 1.00 0.00 O ATOM 1027 CB PHE A 446 -0.037 -1.563 -3.427 1.00 0.00 C ATOM 1028 CG PHE A 446 0.190 -0.561 -4.542 1.00 0.00 C ATOM 1029 CD1 PHE A 446 1.498 -0.174 -4.889 1.00 0.00 C ATOM 1030 CD2 PHE A 446 -0.905 -0.012 -5.238 1.00 0.00 C ATOM 1031 CE1 PHE A 446 1.714 0.746 -5.929 1.00 0.00 C ATOM 1032 CE2 PHE A 446 -0.686 0.899 -6.285 1.00 0.00 C ATOM 1033 CZ PHE A 446 0.620 1.275 -6.638 1.00 0.00 C ATOM 0 H PHE A 446 -1.336 -2.095 -0.924 1.00 0.00 H new ATOM 0 HA PHE A 446 1.053 -0.631 -1.820 1.00 0.00 H new ATOM 0 HB2 PHE A 446 0.703 -2.358 -3.518 1.00 0.00 H new ATOM 0 HB3 PHE A 446 -1.016 -2.021 -3.565 1.00 0.00 H new ATOM 0 HD1 PHE A 446 2.340 -0.586 -4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 446 -1.912 -0.291 -4.967 1.00 0.00 H new ATOM 0 HE1 PHE A 446 2.719 1.047 -6.184 1.00 0.00 H new ATOM 0 HE2 PHE A 446 -1.527 1.313 -6.821 1.00 0.00 H new ATOM 0 HZ PHE A 446 0.784 1.967 -7.450 1.00 0.00 H new ATOM 1043 N VAL A 447 -0.358 1.439 -1.984 1.00 0.00 N ATOM 1044 CA VAL A 447 -1.086 2.718 -1.866 1.00 0.00 C ATOM 1045 C VAL A 447 -0.544 3.693 -2.914 1.00 0.00 C ATOM 1046 O VAL A 447 0.638 3.654 -3.230 1.00 0.00 O ATOM 1047 CB VAL A 447 -0.966 3.331 -0.443 1.00 0.00 C ATOM 1048 CG1 VAL A 447 -1.598 4.730 -0.308 1.00 0.00 C ATOM 1049 CG2 VAL A 447 -1.613 2.432 0.625 1.00 0.00 C ATOM 0 H VAL A 447 0.630 1.569 -2.201 1.00 0.00 H new ATOM 0 HA VAL A 447 -2.145 2.529 -2.039 1.00 0.00 H new ATOM 0 HB VAL A 447 0.109 3.415 -0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 447 -1.473 5.089 0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 447 -1.108 5.418 -0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 447 -2.660 4.674 -0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 447 -1.507 2.897 1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 447 -2.671 2.301 0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 447 -1.120 1.460 0.630 1.00 0.00 H new ATOM 1059 N SER A 448 -1.377 4.581 -3.449 1.00 0.00 N ATOM 1060 CA SER A 448 -0.950 5.653 -4.364 1.00 0.00 C ATOM 1061 C SER A 448 -1.676 6.969 -4.083 1.00 0.00 C ATOM 1062 O SER A 448 -2.824 6.963 -3.641 1.00 0.00 O ATOM 1063 CB SER A 448 -1.228 5.264 -5.819 1.00 0.00 C ATOM 1064 OG SER A 448 -0.455 4.151 -6.223 1.00 0.00 O ATOM 0 H SER A 448 -2.380 4.583 -3.262 1.00 0.00 H new ATOM 0 HA SER A 448 0.119 5.790 -4.200 1.00 0.00 H new ATOM 0 HB2 SER A 448 -2.287 5.033 -5.937 1.00 0.00 H new ATOM 0 HB3 SER A 448 -1.012 6.112 -6.469 1.00 0.00 H new ATOM 0 HG SER A 448 -0.944 3.325 -6.026 1.00 0.00 H new ATOM 1070 N TYR A 449 -1.036 8.096 -4.397 1.00 0.00 N ATOM 1071 CA TYR A 449 -1.552 9.456 -4.193 1.00 0.00 C ATOM 1072 C TYR A 449 -1.646 10.269 -5.497 1.00 0.00 C ATOM 1073 O TYR A 449 -1.087 9.901 -6.528 1.00 0.00 O ATOM 1074 CB TYR A 449 -0.648 10.193 -3.192 1.00 0.00 C ATOM 1075 CG TYR A 449 -0.729 9.680 -1.771 1.00 0.00 C ATOM 1076 CD1 TYR A 449 0.045 8.576 -1.368 1.00 0.00 C ATOM 1077 CD2 TYR A 449 -1.596 10.306 -0.856 1.00 0.00 C ATOM 1078 CE1 TYR A 449 -0.029 8.114 -0.043 1.00 0.00 C ATOM 1079 CE2 TYR A 449 -1.682 9.844 0.469 1.00 0.00 C ATOM 1080 CZ TYR A 449 -0.893 8.748 0.875 1.00 0.00 C ATOM 1081 OH TYR A 449 -0.976 8.279 2.143 1.00 0.00 O ATOM 0 H TYR A 449 -0.107 8.089 -4.817 1.00 0.00 H new ATOM 0 HA TYR A 449 -2.567 9.362 -3.806 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.385 10.118 -3.533 1.00 0.00 H new ATOM 0 HB3 TYR A 449 -0.910 11.251 -3.197 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.695 8.084 -2.076 1.00 0.00 H new ATOM 0 HD2 TYR A 449 -2.198 11.145 -1.173 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.574 7.275 0.272 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -2.347 10.325 1.171 1.00 0.00 H new ATOM 0 HH TYR A 449 -1.831 8.551 2.537 1.00 0.00 H new ATOM 1091 N ASP A 450 -2.313 11.423 -5.426 1.00 0.00 N ATOM 1092 CA ASP A 450 -2.346 12.447 -6.482 1.00 0.00 C ATOM 1093 C ASP A 450 -0.956 13.041 -6.803 1.00 0.00 C ATOM 1094 O ASP A 450 -0.738 13.554 -7.901 1.00 0.00 O ATOM 1095 CB ASP A 450 -3.315 13.543 -6.013 1.00 0.00 C ATOM 1096 CG ASP A 450 -3.344 14.773 -6.935 1.00 0.00 C ATOM 1097 OD1 ASP A 450 -4.029 14.724 -7.984 1.00 0.00 O ATOM 1098 OD2 ASP A 450 -2.699 15.790 -6.581 1.00 0.00 O ATOM 0 H ASP A 450 -2.864 11.682 -4.608 1.00 0.00 H new ATOM 0 HA ASP A 450 -2.679 11.988 -7.413 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -4.319 13.125 -5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -3.035 13.859 -5.008 1.00 0.00 H new ATOM 1103 N ASN A 451 -0.010 12.954 -5.862 1.00 0.00 N ATOM 1104 CA ASN A 451 1.298 13.612 -5.913 1.00 0.00 C ATOM 1105 C ASN A 451 2.318 12.962 -4.956 1.00 0.00 C ATOM 1106 O ASN A 451 1.923 12.350 -3.957 1.00 0.00 O ATOM 1107 CB ASN A 451 1.134 15.111 -5.586 1.00 0.00 C ATOM 1108 CG ASN A 451 0.407 15.366 -4.271 1.00 0.00 C ATOM 1109 OD1 ASN A 451 0.984 15.208 -3.204 1.00 0.00 O ATOM 1110 ND2 ASN A 451 -0.854 15.753 -4.300 1.00 0.00 N ATOM 0 H ASN A 451 -0.140 12.403 -5.013 1.00 0.00 H new ATOM 0 HA ASN A 451 1.691 13.494 -6.923 1.00 0.00 H new ATOM 0 HB2 ASN A 451 2.119 15.576 -5.545 1.00 0.00 H new ATOM 0 HB3 ASN A 451 0.587 15.594 -6.395 1.00 0.00 H new ATOM 0 HD21 ASN A 451 -1.355 15.923 -3.428 1.00 0.00 H new ATOM 0 HD22 ASN A 451 -1.327 15.882 -5.194 1.00 0.00 H new ATOM 1117 N PRO A 452 3.633 13.144 -5.208 1.00 0.00 N ATOM 1118 CA PRO A 452 4.679 12.670 -4.310 1.00 0.00 C ATOM 1119 C PRO A 452 4.730 13.410 -2.967 1.00 0.00 C ATOM 1120 O PRO A 452 5.330 12.875 -2.040 1.00 0.00 O ATOM 1121 CB PRO A 452 5.992 12.812 -5.086 1.00 0.00 C ATOM 1122 CG PRO A 452 5.714 13.912 -6.102 1.00 0.00 C ATOM 1123 CD PRO A 452 4.225 13.746 -6.401 1.00 0.00 C ATOM 0 HA PRO A 452 4.480 11.637 -4.026 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.817 13.080 -4.426 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.267 11.878 -5.576 1.00 0.00 H new ATOM 0 HG2 PRO A 452 5.935 14.899 -5.697 1.00 0.00 H new ATOM 0 HG3 PRO A 452 6.320 13.793 -7.000 1.00 0.00 H new ATOM 0 HD2 PRO A 452 3.763 14.708 -6.621 1.00 0.00 H new ATOM 0 HD3 PRO A 452 4.072 13.111 -7.274 1.00 0.00 H new ATOM 1131 N VAL A 453 4.100 14.586 -2.810 1.00 0.00 N ATOM 1132 CA VAL A 453 4.174 15.342 -1.539 1.00 0.00 C ATOM 1133 C VAL A 453 3.343 14.648 -0.449 1.00 0.00 C ATOM 1134 O VAL A 453 3.821 14.442 0.666 1.00 0.00 O ATOM 1135 CB VAL A 453 3.748 16.821 -1.710 1.00 0.00 C ATOM 1136 CG1 VAL A 453 3.862 17.606 -0.391 1.00 0.00 C ATOM 1137 CG2 VAL A 453 4.607 17.527 -2.774 1.00 0.00 C ATOM 0 H VAL A 453 3.539 15.033 -3.535 1.00 0.00 H new ATOM 0 HA VAL A 453 5.218 15.351 -1.226 1.00 0.00 H new ATOM 0 HB VAL A 453 2.705 16.805 -2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 453 3.554 18.639 -0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 453 3.218 17.150 0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 453 4.895 17.586 -0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 453 4.285 18.564 -2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 453 5.654 17.499 -2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 453 4.491 17.019 -3.731 1.00 0.00 H new ATOM 1147 N SER A 454 2.130 14.207 -0.792 1.00 0.00 N ATOM 1148 CA SER A 454 1.256 13.425 0.098 1.00 0.00 C ATOM 1149 C SER A 454 1.816 12.017 0.360 1.00 0.00 C ATOM 1150 O SER A 454 1.656 11.469 1.452 1.00 0.00 O ATOM 1151 CB SER A 454 -0.142 13.298 -0.524 1.00 0.00 C ATOM 1152 OG SER A 454 -0.757 14.558 -0.759 1.00 0.00 O ATOM 0 H SER A 454 1.718 14.384 -1.708 1.00 0.00 H new ATOM 0 HA SER A 454 1.202 13.955 1.049 1.00 0.00 H new ATOM 0 HB2 SER A 454 -0.068 12.754 -1.466 1.00 0.00 H new ATOM 0 HB3 SER A 454 -0.776 12.707 0.137 1.00 0.00 H new ATOM 0 HG SER A 454 -0.343 14.984 -1.538 1.00 0.00 H new ATOM 1158 N ALA A 455 2.527 11.448 -0.620 1.00 0.00 N ATOM 1159 CA ALA A 455 3.137 10.124 -0.522 1.00 0.00 C ATOM 1160 C ALA A 455 4.368 10.122 0.398 1.00 0.00 C ATOM 1161 O ALA A 455 4.448 9.307 1.314 1.00 0.00 O ATOM 1162 CB ALA A 455 3.460 9.657 -1.943 1.00 0.00 C ATOM 0 H ALA A 455 2.695 11.905 -1.516 1.00 0.00 H new ATOM 0 HA ALA A 455 2.442 9.424 -0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 455 3.918 8.669 -1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 455 2.542 9.610 -2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 455 4.151 10.360 -2.409 1.00 0.00 H new ATOM 1168 N GLN A 456 5.296 11.069 0.224 1.00 0.00 N ATOM 1169 CA GLN A 456 6.474 11.216 1.088 1.00 0.00 C ATOM 1170 C GLN A 456 6.084 11.537 2.537 1.00 0.00 C ATOM 1171 O GLN A 456 6.746 11.071 3.466 1.00 0.00 O ATOM 1172 CB GLN A 456 7.402 12.308 0.526 1.00 0.00 C ATOM 1173 CG GLN A 456 8.174 11.870 -0.734 1.00 0.00 C ATOM 1174 CD GLN A 456 9.284 10.846 -0.472 1.00 0.00 C ATOM 1175 OE1 GLN A 456 9.591 10.464 0.650 1.00 0.00 O ATOM 1176 NE2 GLN A 456 9.937 10.357 -1.506 1.00 0.00 N ATOM 0 H GLN A 456 5.251 11.760 -0.525 1.00 0.00 H new ATOM 0 HA GLN A 456 7.002 10.263 1.099 1.00 0.00 H new ATOM 0 HB2 GLN A 456 6.809 13.192 0.290 1.00 0.00 H new ATOM 0 HB3 GLN A 456 8.116 12.599 1.297 1.00 0.00 H new ATOM 0 HG2 GLN A 456 7.468 11.448 -1.449 1.00 0.00 H new ATOM 0 HG3 GLN A 456 8.613 12.752 -1.201 1.00 0.00 H new ATOM 0 HE21 GLN A 456 9.698 10.661 -2.450 1.00 0.00 H new ATOM 0 HE22 GLN A 456 10.681 9.675 -1.363 1.00 0.00 H new ATOM 1185 N ALA A 457 4.987 12.271 2.752 1.00 0.00 N ATOM 1186 CA ALA A 457 4.427 12.505 4.084 1.00 0.00 C ATOM 1187 C ALA A 457 3.916 11.214 4.751 1.00 0.00 C ATOM 1188 O ALA A 457 3.985 11.097 5.976 1.00 0.00 O ATOM 1189 CB ALA A 457 3.313 13.551 3.963 1.00 0.00 C ATOM 0 H ALA A 457 4.461 12.721 2.002 1.00 0.00 H new ATOM 0 HA ALA A 457 5.219 12.875 4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 457 2.882 13.739 4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 457 3.726 14.478 3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 457 2.538 13.181 3.292 1.00 0.00 H new ATOM 1195 N ALA A 458 3.465 10.225 3.970 1.00 0.00 N ATOM 1196 CA ALA A 458 3.043 8.926 4.479 1.00 0.00 C ATOM 1197 C ALA A 458 4.246 8.036 4.809 1.00 0.00 C ATOM 1198 O ALA A 458 4.273 7.437 5.881 1.00 0.00 O ATOM 1199 CB ALA A 458 2.107 8.270 3.460 1.00 0.00 C ATOM 0 H ALA A 458 3.384 10.311 2.957 1.00 0.00 H new ATOM 0 HA ALA A 458 2.501 9.064 5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 458 1.787 7.297 3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 458 1.234 8.905 3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 458 2.633 8.140 2.514 1.00 0.00 H new ATOM 1205 N ILE A 459 5.283 8.008 3.959 1.00 0.00 N ATOM 1206 CA ILE A 459 6.526 7.254 4.243 1.00 0.00 C ATOM 1207 C ILE A 459 7.159 7.749 5.550 1.00 0.00 C ATOM 1208 O ILE A 459 7.489 6.944 6.418 1.00 0.00 O ATOM 1209 CB ILE A 459 7.545 7.323 3.075 1.00 0.00 C ATOM 1210 CG1 ILE A 459 6.910 6.906 1.732 1.00 0.00 C ATOM 1211 CG2 ILE A 459 8.758 6.416 3.377 1.00 0.00 C ATOM 1212 CD1 ILE A 459 7.866 7.028 0.541 1.00 0.00 C ATOM 0 H ILE A 459 5.291 8.499 3.065 1.00 0.00 H new ATOM 0 HA ILE A 459 6.250 6.205 4.354 1.00 0.00 H new ATOM 0 HB ILE A 459 7.870 8.360 2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 459 6.565 5.875 1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 459 6.031 7.524 1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 459 9.468 6.471 2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 459 9.242 6.750 4.295 1.00 0.00 H new ATOM 0 HG23 ILE A 459 8.421 5.386 3.498 1.00 0.00 H new ATOM 0 HD11 ILE A 459 7.354 6.719 -0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 459 8.192 8.063 0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 459 8.734 6.389 0.704 1.00 0.00 H new ATOM 1224 N GLN A 460 7.258 9.070 5.725 1.00 0.00 N ATOM 1225 CA GLN A 460 7.848 9.693 6.916 1.00 0.00 C ATOM 1226 C GLN A 460 6.978 9.555 8.182 1.00 0.00 C ATOM 1227 O GLN A 460 7.474 9.786 9.285 1.00 0.00 O ATOM 1228 CB GLN A 460 8.141 11.173 6.616 1.00 0.00 C ATOM 1229 CG GLN A 460 9.285 11.352 5.603 1.00 0.00 C ATOM 1230 CD GLN A 460 9.401 12.806 5.146 1.00 0.00 C ATOM 1231 OE1 GLN A 460 10.241 13.575 5.598 1.00 0.00 O ATOM 1232 NE2 GLN A 460 8.549 13.236 4.238 1.00 0.00 N ATOM 0 H GLN A 460 6.927 9.746 5.036 1.00 0.00 H new ATOM 0 HA GLN A 460 8.772 9.159 7.137 1.00 0.00 H new ATOM 0 HB2 GLN A 460 7.239 11.648 6.229 1.00 0.00 H new ATOM 0 HB3 GLN A 460 8.398 11.685 7.544 1.00 0.00 H new ATOM 0 HG2 GLN A 460 10.225 11.034 6.054 1.00 0.00 H new ATOM 0 HG3 GLN A 460 9.112 10.710 4.739 1.00 0.00 H new ATOM 0 HE21 GLN A 460 7.847 12.602 3.857 1.00 0.00 H new ATOM 0 HE22 GLN A 460 8.592 14.203 3.916 1.00 0.00 H new ATOM 1241 N SER A 461 5.709 9.151 8.058 1.00 0.00 N ATOM 1242 CA SER A 461 4.799 8.945 9.199 1.00 0.00 C ATOM 1243 C SER A 461 4.571 7.464 9.550 1.00 0.00 C ATOM 1244 O SER A 461 4.315 7.147 10.715 1.00 0.00 O ATOM 1245 CB SER A 461 3.439 9.599 8.915 1.00 0.00 C ATOM 1246 OG SER A 461 3.555 11.001 8.719 1.00 0.00 O ATOM 0 H SER A 461 5.277 8.955 7.155 1.00 0.00 H new ATOM 0 HA SER A 461 5.287 9.410 10.056 1.00 0.00 H new ATOM 0 HB2 SER A 461 2.996 9.144 8.029 1.00 0.00 H new ATOM 0 HB3 SER A 461 2.762 9.404 9.746 1.00 0.00 H new ATOM 0 HG SER A 461 3.731 11.186 7.773 1.00 0.00 H new ATOM 1252 N MET A 462 4.685 6.554 8.570 1.00 0.00 N ATOM 1253 CA MET A 462 4.274 5.146 8.698 1.00 0.00 C ATOM 1254 C MET A 462 5.408 4.127 8.606 1.00 0.00 C ATOM 1255 O MET A 462 5.248 3.000 9.076 1.00 0.00 O ATOM 1256 CB MET A 462 3.211 4.823 7.638 1.00 0.00 C ATOM 1257 CG MET A 462 1.952 5.686 7.784 1.00 0.00 C ATOM 1258 SD MET A 462 1.207 5.725 9.440 1.00 0.00 S ATOM 1259 CE MET A 462 0.689 4.007 9.590 1.00 0.00 C ATOM 0 H MET A 462 5.071 6.778 7.653 1.00 0.00 H new ATOM 0 HA MET A 462 3.877 5.051 9.709 1.00 0.00 H new ATOM 0 HB2 MET A 462 3.636 4.972 6.645 1.00 0.00 H new ATOM 0 HB3 MET A 462 2.937 3.771 7.713 1.00 0.00 H new ATOM 0 HG2 MET A 462 2.199 6.707 7.493 1.00 0.00 H new ATOM 0 HG3 MET A 462 1.204 5.326 7.078 1.00 0.00 H new ATOM 0 HE1 MET A 462 -0.067 3.922 10.370 1.00 0.00 H new ATOM 0 HE2 MET A 462 0.272 3.669 8.642 1.00 0.00 H new ATOM 0 HE3 MET A 462 1.549 3.389 9.849 1.00 0.00 H new ATOM 1269 N ASN A 463 6.565 4.490 8.050 1.00 0.00 N ATOM 1270 CA ASN A 463 7.726 3.602 8.039 1.00 0.00 C ATOM 1271 C ASN A 463 8.305 3.476 9.465 1.00 0.00 C ATOM 1272 O ASN A 463 8.843 4.440 10.015 1.00 0.00 O ATOM 1273 CB ASN A 463 8.739 4.123 7.013 1.00 0.00 C ATOM 1274 CG ASN A 463 9.846 3.111 6.768 1.00 0.00 C ATOM 1275 OD1 ASN A 463 9.580 1.994 6.341 1.00 0.00 O ATOM 1276 ND2 ASN A 463 11.093 3.451 7.035 1.00 0.00 N ATOM 0 H ASN A 463 6.722 5.393 7.602 1.00 0.00 H new ATOM 0 HA ASN A 463 7.445 2.594 7.734 1.00 0.00 H new ATOM 0 HB2 ASN A 463 8.230 4.342 6.075 1.00 0.00 H new ATOM 0 HB3 ASN A 463 9.171 5.059 7.368 1.00 0.00 H new ATOM 0 HD21 ASN A 463 11.847 2.781 6.886 1.00 0.00 H new ATOM 0 HD22 ASN A 463 11.302 4.384 7.390 1.00 0.00 H new ATOM 1283 N GLY A 464 8.151 2.296 10.080 1.00 0.00 N ATOM 1284 CA GLY A 464 8.473 2.015 11.488 1.00 0.00 C ATOM 1285 C GLY A 464 7.279 2.084 12.453 1.00 0.00 C ATOM 1286 O GLY A 464 7.482 1.894 13.652 1.00 0.00 O ATOM 0 H GLY A 464 7.785 1.478 9.593 1.00 0.00 H new ATOM 0 HA2 GLY A 464 8.916 1.021 11.552 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.231 2.724 11.820 1.00 0.00 H new ATOM 1290 N PHE A 465 6.053 2.337 11.972 1.00 0.00 N ATOM 1291 CA PHE A 465 4.842 2.460 12.800 1.00 0.00 C ATOM 1292 C PHE A 465 4.531 1.156 13.548 1.00 0.00 C ATOM 1293 O PHE A 465 4.408 0.103 12.924 1.00 0.00 O ATOM 1294 CB PHE A 465 3.668 2.863 11.895 1.00 0.00 C ATOM 1295 CG PHE A 465 2.333 3.052 12.595 1.00 0.00 C ATOM 1296 CD1 PHE A 465 1.435 1.974 12.742 1.00 0.00 C ATOM 1297 CD2 PHE A 465 1.972 4.328 13.069 1.00 0.00 C ATOM 1298 CE1 PHE A 465 0.187 2.176 13.361 1.00 0.00 C ATOM 1299 CE2 PHE A 465 0.724 4.527 13.686 1.00 0.00 C ATOM 1300 CZ PHE A 465 -0.169 3.452 13.832 1.00 0.00 C ATOM 0 H PHE A 465 5.871 2.465 10.977 1.00 0.00 H new ATOM 0 HA PHE A 465 5.007 3.225 13.558 1.00 0.00 H new ATOM 0 HB2 PHE A 465 3.926 3.792 11.388 1.00 0.00 H new ATOM 0 HB3 PHE A 465 3.549 2.102 11.124 1.00 0.00 H new ATOM 0 HD1 PHE A 465 1.705 0.993 12.379 1.00 0.00 H new ATOM 0 HD2 PHE A 465 2.656 5.157 12.958 1.00 0.00 H new ATOM 0 HE1 PHE A 465 -0.498 1.349 13.474 1.00 0.00 H new ATOM 0 HE2 PHE A 465 0.452 5.507 14.048 1.00 0.00 H new ATOM 0 HZ PHE A 465 -1.127 3.606 14.305 1.00 0.00 H new ATOM 1310 N GLN A 466 4.399 1.219 14.874 1.00 0.00 N ATOM 1311 CA GLN A 466 4.157 0.045 15.717 1.00 0.00 C ATOM 1312 C GLN A 466 2.671 -0.349 15.698 1.00 0.00 C ATOM 1313 O GLN A 466 1.794 0.485 15.925 1.00 0.00 O ATOM 1314 CB GLN A 466 4.669 0.333 17.139 1.00 0.00 C ATOM 1315 CG GLN A 466 4.682 -0.922 18.028 1.00 0.00 C ATOM 1316 CD GLN A 466 5.286 -0.680 19.418 1.00 0.00 C ATOM 1317 OE1 GLN A 466 5.468 0.440 19.883 1.00 0.00 O ATOM 1318 NE2 GLN A 466 5.633 -1.727 20.139 1.00 0.00 N ATOM 0 H GLN A 466 4.457 2.092 15.398 1.00 0.00 H new ATOM 0 HA GLN A 466 4.705 -0.811 15.323 1.00 0.00 H new ATOM 0 HB2 GLN A 466 5.677 0.744 17.082 1.00 0.00 H new ATOM 0 HB3 GLN A 466 4.040 1.094 17.601 1.00 0.00 H new ATOM 0 HG2 GLN A 466 3.661 -1.287 18.142 1.00 0.00 H new ATOM 0 HG3 GLN A 466 5.247 -1.707 17.526 1.00 0.00 H new ATOM 0 HE21 GLN A 466 5.491 -2.668 19.773 1.00 0.00 H new ATOM 0 HE22 GLN A 466 6.044 -1.596 21.063 1.00 0.00 H new ATOM 1327 N ILE A 467 2.384 -1.632 15.450 1.00 0.00 N ATOM 1328 CA ILE A 467 1.025 -2.186 15.353 1.00 0.00 C ATOM 1329 C ILE A 467 1.008 -3.652 15.811 1.00 0.00 C ATOM 1330 O ILE A 467 1.893 -4.433 15.450 1.00 0.00 O ATOM 1331 CB ILE A 467 0.474 -1.967 13.918 1.00 0.00 C ATOM 1332 CG1 ILE A 467 -1.065 -2.059 13.916 1.00 0.00 C ATOM 1333 CG2 ILE A 467 1.105 -2.916 12.880 1.00 0.00 C ATOM 1334 CD1 ILE A 467 -1.713 -1.668 12.581 1.00 0.00 C ATOM 0 H ILE A 467 3.110 -2.335 15.307 1.00 0.00 H new ATOM 0 HA ILE A 467 0.352 -1.659 16.029 1.00 0.00 H new ATOM 0 HB ILE A 467 0.762 -0.962 13.611 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -1.358 -3.079 14.165 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -1.458 -1.414 14.702 1.00 0.00 H new ATOM 0 HG21 ILE A 467 0.680 -2.715 11.897 1.00 0.00 H new ATOM 0 HG22 ILE A 467 2.183 -2.756 12.849 1.00 0.00 H new ATOM 0 HG23 ILE A 467 0.899 -3.949 13.159 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -2.796 -1.759 12.662 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -1.453 -0.638 12.338 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -1.351 -2.329 11.793 1.00 0.00 H new ATOM 1392 N ARG A 471 6.337 -3.812 13.810 1.00 0.00 N ATOM 1393 CA ARG A 471 6.453 -2.501 13.147 1.00 0.00 C ATOM 1394 C ARG A 471 6.318 -2.625 11.624 1.00 0.00 C ATOM 1395 O ARG A 471 6.876 -3.542 11.018 1.00 0.00 O ATOM 1396 CB ARG A 471 7.783 -1.820 13.514 1.00 0.00 C ATOM 1397 CG ARG A 471 7.812 -1.342 14.973 1.00 0.00 C ATOM 1398 CD ARG A 471 9.133 -0.638 15.307 1.00 0.00 C ATOM 1399 NE ARG A 471 9.161 -0.198 16.714 1.00 0.00 N ATOM 1400 CZ ARG A 471 8.723 0.957 17.205 1.00 0.00 C ATOM 1401 NH1 ARG A 471 8.178 1.889 16.449 1.00 0.00 N ATOM 1402 NH2 ARG A 471 8.827 1.193 18.495 1.00 0.00 N ATOM 0 HA ARG A 471 5.632 -1.880 13.505 1.00 0.00 H new ATOM 0 HB2 ARG A 471 8.604 -2.518 13.347 1.00 0.00 H new ATOM 0 HB3 ARG A 471 7.947 -0.970 12.852 1.00 0.00 H new ATOM 0 HG2 ARG A 471 6.980 -0.660 15.150 1.00 0.00 H new ATOM 0 HG3 ARG A 471 7.674 -2.194 15.639 1.00 0.00 H new ATOM 0 HD2 ARG A 471 9.967 -1.314 15.118 1.00 0.00 H new ATOM 0 HD3 ARG A 471 9.266 0.223 14.651 1.00 0.00 H new ATOM 0 HE ARG A 471 9.561 -0.853 17.386 1.00 0.00 H new ATOM 0 HH11 ARG A 471 8.079 1.738 15.445 1.00 0.00 H new ATOM 0 HH12 ARG A 471 7.855 2.761 16.868 1.00 0.00 H new ATOM 0 HH21 ARG A 471 9.241 0.492 19.110 1.00 0.00 H new ATOM 0 HH22 ARG A 471 8.494 2.077 18.880 1.00 0.00 H new ATOM 1416 N LEU A 472 5.581 -1.692 11.014 1.00 0.00 N ATOM 1417 CA LEU A 472 5.380 -1.588 9.565 1.00 0.00 C ATOM 1418 C LEU A 472 6.643 -1.095 8.843 1.00 0.00 C ATOM 1419 O LEU A 472 7.489 -0.421 9.429 1.00 0.00 O ATOM 1420 CB LEU A 472 4.216 -0.616 9.264 1.00 0.00 C ATOM 1421 CG LEU A 472 2.835 -1.001 9.829 1.00 0.00 C ATOM 1422 CD1 LEU A 472 1.780 0.008 9.354 1.00 0.00 C ATOM 1423 CD2 LEU A 472 2.424 -2.411 9.392 1.00 0.00 C ATOM 0 H LEU A 472 5.091 -0.963 11.533 1.00 0.00 H new ATOM 0 HA LEU A 472 5.145 -2.587 9.197 1.00 0.00 H new ATOM 0 HB2 LEU A 472 4.482 0.366 9.654 1.00 0.00 H new ATOM 0 HB3 LEU A 472 4.126 -0.516 8.182 1.00 0.00 H new ATOM 0 HG LEU A 472 2.902 -0.986 10.917 1.00 0.00 H new ATOM 0 HD11 LEU A 472 0.805 -0.268 9.756 1.00 0.00 H new ATOM 0 HD12 LEU A 472 2.047 1.005 9.703 1.00 0.00 H new ATOM 0 HD13 LEU A 472 1.738 0.004 8.265 1.00 0.00 H new ATOM 0 HD21 LEU A 472 1.445 -2.650 9.808 1.00 0.00 H new ATOM 0 HD22 LEU A 472 2.376 -2.455 8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 472 3.158 -3.132 9.753 1.00 0.00 H new ATOM 1435 N LYS A 473 6.722 -1.361 7.539 1.00 0.00 N ATOM 1436 CA LYS A 473 7.711 -0.785 6.615 1.00 0.00 C ATOM 1437 C LYS A 473 6.982 -0.208 5.386 1.00 0.00 C ATOM 1438 O LYS A 473 6.005 -0.796 4.928 1.00 0.00 O ATOM 1439 CB LYS A 473 8.749 -1.864 6.251 1.00 0.00 C ATOM 1440 CG LYS A 473 9.850 -1.353 5.302 1.00 0.00 C ATOM 1441 CD LYS A 473 10.877 -2.429 4.920 1.00 0.00 C ATOM 1442 CE LYS A 473 11.712 -2.882 6.126 1.00 0.00 C ATOM 1443 NZ LYS A 473 12.807 -3.806 5.725 1.00 0.00 N ATOM 0 H LYS A 473 6.080 -2.005 7.077 1.00 0.00 H new ATOM 0 HA LYS A 473 8.252 0.038 7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 473 9.211 -2.237 7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 473 8.239 -2.707 5.784 1.00 0.00 H new ATOM 0 HG2 LYS A 473 9.386 -0.966 4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 473 10.368 -0.519 5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 473 10.360 -3.289 4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 473 11.539 -2.040 4.146 1.00 0.00 H new ATOM 0 HE2 LYS A 473 12.136 -2.009 6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 473 11.065 -3.378 6.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 13.348 -4.089 6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 12.401 -4.651 5.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 13.439 -3.325 5.053 1.00 0.00 H new ATOM 1457 N VAL A 474 7.426 0.930 4.851 1.00 0.00 N ATOM 1458 CA VAL A 474 6.802 1.615 3.706 1.00 0.00 C ATOM 1459 C VAL A 474 7.900 2.146 2.779 1.00 0.00 C ATOM 1460 O VAL A 474 8.880 2.710 3.264 1.00 0.00 O ATOM 1461 CB VAL A 474 5.888 2.779 4.162 1.00 0.00 C ATOM 1462 CG1 VAL A 474 5.126 3.361 2.965 1.00 0.00 C ATOM 1463 CG2 VAL A 474 4.877 2.347 5.236 1.00 0.00 C ATOM 0 H VAL A 474 8.249 1.417 5.206 1.00 0.00 H new ATOM 0 HA VAL A 474 6.177 0.896 3.176 1.00 0.00 H new ATOM 0 HB VAL A 474 6.541 3.535 4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 474 4.488 4.178 3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 474 5.837 3.736 2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 474 4.511 2.583 2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 474 4.261 3.200 5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 474 4.240 1.556 4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 474 5.411 1.978 6.111 1.00 0.00 H new ATOM 1473 N GLN A 475 7.753 1.966 1.461 1.00 0.00 N ATOM 1474 CA GLN A 475 8.801 2.287 0.484 1.00 0.00 C ATOM 1475 C GLN A 475 8.219 2.556 -0.917 1.00 0.00 C ATOM 1476 O GLN A 475 7.166 2.026 -1.272 1.00 0.00 O ATOM 1477 CB GLN A 475 9.824 1.133 0.495 1.00 0.00 C ATOM 1478 CG GLN A 475 11.158 1.465 -0.196 1.00 0.00 C ATOM 1479 CD GLN A 475 12.268 0.447 0.110 1.00 0.00 C ATOM 1480 OE1 GLN A 475 12.266 -0.274 1.102 1.00 0.00 O ATOM 1481 NE2 GLN A 475 13.279 0.353 -0.727 1.00 0.00 N ATOM 0 H GLN A 475 6.902 1.593 1.041 1.00 0.00 H new ATOM 0 HA GLN A 475 9.302 3.214 0.761 1.00 0.00 H new ATOM 0 HB2 GLN A 475 10.024 0.850 1.528 1.00 0.00 H new ATOM 0 HB3 GLN A 475 9.381 0.265 0.006 1.00 0.00 H new ATOM 0 HG2 GLN A 475 11.001 1.508 -1.274 1.00 0.00 H new ATOM 0 HG3 GLN A 475 11.486 2.456 0.118 1.00 0.00 H new ATOM 0 HE21 GLN A 475 13.307 0.940 -1.561 1.00 0.00 H new ATOM 0 HE22 GLN A 475 14.034 -0.307 -0.542 1.00 0.00 H new ATOM 1490 N LEU A 476 8.896 3.395 -1.713 1.00 0.00 N ATOM 1491 CA LEU A 476 8.472 3.771 -3.072 1.00 0.00 C ATOM 1492 C LEU A 476 8.446 2.600 -4.068 1.00 0.00 C ATOM 1493 O LEU A 476 9.280 1.695 -4.033 1.00 0.00 O ATOM 1494 CB LEU A 476 9.418 4.852 -3.641 1.00 0.00 C ATOM 1495 CG LEU A 476 9.326 6.261 -3.029 1.00 0.00 C ATOM 1496 CD1 LEU A 476 10.335 7.158 -3.754 1.00 0.00 C ATOM 1497 CD2 LEU A 476 7.929 6.870 -3.195 1.00 0.00 C ATOM 0 H LEU A 476 9.768 3.840 -1.427 1.00 0.00 H new ATOM 0 HA LEU A 476 7.451 4.138 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 476 10.443 4.499 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 476 9.230 4.936 -4.711 1.00 0.00 H new ATOM 0 HG LEU A 476 9.536 6.188 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 476 10.291 8.165 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 476 11.339 6.755 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 476 10.094 7.192 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 476 7.910 7.864 -2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 476 7.688 6.944 -4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 476 7.194 6.236 -2.699 1.00 0.00 H new ATOM 1509 N LYS A 477 7.574 2.722 -5.076 1.00 0.00 N ATOM 1510 CA LYS A 477 7.531 1.847 -6.262 1.00 0.00 C ATOM 1511 C LYS A 477 8.814 1.925 -7.120 1.00 0.00 C ATOM 1512 O LYS A 477 9.095 1.008 -7.894 1.00 0.00 O ATOM 1513 CB LYS A 477 6.253 2.175 -7.065 1.00 0.00 C ATOM 1514 CG LYS A 477 6.121 1.342 -8.355 1.00 0.00 C ATOM 1515 CD LYS A 477 4.704 1.366 -8.938 1.00 0.00 C ATOM 1516 CE LYS A 477 4.670 0.498 -10.204 1.00 0.00 C ATOM 1517 NZ LYS A 477 3.307 0.419 -10.780 1.00 0.00 N ATOM 0 H LYS A 477 6.859 3.449 -5.093 1.00 0.00 H new ATOM 0 HA LYS A 477 7.492 0.808 -5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 477 5.380 2.000 -6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 477 6.254 3.234 -7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 477 6.821 1.721 -9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.405 0.311 -8.146 1.00 0.00 H new ATOM 0 HD2 LYS A 477 3.989 0.992 -8.205 1.00 0.00 H new ATOM 0 HD3 LYS A 477 4.412 2.389 -9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 477 5.355 0.910 -10.945 1.00 0.00 H new ATOM 0 HE3 LYS A 477 5.023 -0.505 -9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 3.311 -0.229 -11.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 2.645 0.066 -10.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 3.007 1.364 -11.093 1.00 0.00 H new