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= 1.65 K(o=1.8,f=-5.1!) USER MOD Set 1.2: A 454 SER OG : rot 75:sc= 0.175 USER MOD Set 2.1: A 402 ASN : amide:sc= 1.55 K(o=3.2,f=-2.6!) USER MOD Set 2.2: A 448 SER OG : rot 84:sc= 1.66 USER MOD Set 3.1: A 393 SER OG : rot -112:sc= 0.389 USER MOD Set 3.2: A 429 SER OG : rot 130:sc= 0.362 USER MOD Single : A 394 GLN : amide:sc= 0 X(o=0,f=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= 0.385 K(o=0.38,f=-4.5!) USER MOD Single : A 415 GLN : amide:sc= -0.141 K(o=-0.14,f=-3.6!) USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 420 MET CE :methyl 167:sc=-0.00497 (180deg=-0.364) USER MOD Single : A 422 MET CE :methyl -168:sc= -0.0767 (180deg=-0.178) USER MOD Single : A 426 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 431 LYS NZ :NH3+ -177:sc= 1.17 (180deg=1.16) 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= 1.01 USER MOD Single : A 456 GLN : amide:sc= -0.0289 X(o=-0.029,f=-0.47) USER MOD Single : A 460 GLN : amide:sc= 0.44 X(o=0.44,f=0) USER MOD Single : A 461 SER OG : rot 88:sc= 1.12 USER MOD Single : A 462 MET CE :methyl -159:sc= -0.0034 (180deg=-0.519) USER MOD Single : A 463 ASN : amide:sc= 0.817 K(o=0.82,f=-7.2!) USER MOD Single : A 466 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.22) USER MOD Single : A 477 LYS NZ :NH3+ 175:sc= 0.995 (180deg=0.979) USER MOD ----------------------------------------------------------------- ATOM 182 N ALA A 391 -10.087 2.064 -2.111 1.00 0.00 N ATOM 183 CA ALA A 391 -9.990 0.735 -1.498 1.00 0.00 C ATOM 184 C ALA A 391 -10.452 -0.348 -2.486 1.00 0.00 C ATOM 185 O ALA A 391 -11.615 -0.381 -2.893 1.00 0.00 O ATOM 186 CB ALA A 391 -10.824 0.726 -0.210 1.00 0.00 C ATOM 0 HA ALA A 391 -8.953 0.512 -1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -10.761 -0.257 0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -10.440 1.480 0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -11.864 0.949 -0.448 1.00 0.00 H new ATOM 192 N GLY A 392 -9.523 -1.221 -2.884 1.00 0.00 N ATOM 193 CA GLY A 392 -9.727 -2.264 -3.895 1.00 0.00 C ATOM 194 C GLY A 392 -9.291 -1.843 -5.301 1.00 0.00 C ATOM 195 O GLY A 392 -9.296 -2.673 -6.208 1.00 0.00 O ATOM 0 H GLY A 392 -8.578 -1.222 -2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -9.173 -3.156 -3.603 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -10.782 -2.537 -3.917 1.00 0.00 H new ATOM 199 N SER A 393 -8.891 -0.586 -5.495 1.00 0.00 N ATOM 200 CA SER A 393 -8.352 -0.095 -6.767 1.00 0.00 C ATOM 201 C SER A 393 -6.876 -0.490 -6.939 1.00 0.00 C ATOM 202 O SER A 393 -6.101 -0.501 -5.978 1.00 0.00 O ATOM 203 CB SER A 393 -8.524 1.425 -6.863 1.00 0.00 C ATOM 204 OG SER A 393 -8.057 1.907 -8.114 1.00 0.00 O ATOM 0 H SER A 393 -8.932 0.128 -4.768 1.00 0.00 H new ATOM 0 HA SER A 393 -8.913 -0.562 -7.577 1.00 0.00 H new ATOM 0 HB2 SER A 393 -9.575 1.685 -6.737 1.00 0.00 H new ATOM 0 HB3 SER A 393 -7.977 1.909 -6.054 1.00 0.00 H new ATOM 0 HG SER A 393 -7.255 2.452 -7.976 1.00 0.00 H new ATOM 210 N GLN A 394 -6.481 -0.805 -8.176 1.00 0.00 N ATOM 211 CA GLN A 394 -5.112 -1.183 -8.549 1.00 0.00 C ATOM 212 C GLN A 394 -4.506 -0.200 -9.574 1.00 0.00 C ATOM 213 O GLN A 394 -3.485 -0.491 -10.200 1.00 0.00 O ATOM 214 CB GLN A 394 -5.089 -2.653 -9.007 1.00 0.00 C ATOM 215 CG GLN A 394 -5.417 -3.613 -7.848 1.00 0.00 C ATOM 216 CD GLN A 394 -5.352 -5.080 -8.280 1.00 0.00 C ATOM 217 OE1 GLN A 394 -4.289 -5.644 -8.517 1.00 0.00 O ATOM 218 NE2 GLN A 394 -6.476 -5.761 -8.400 1.00 0.00 N ATOM 0 H GLN A 394 -7.122 -0.804 -8.969 1.00 0.00 H new ATOM 0 HA GLN A 394 -4.464 -1.108 -7.676 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -5.809 -2.795 -9.813 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -4.106 -2.893 -9.412 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -4.717 -3.445 -7.030 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -6.413 -3.392 -7.466 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -7.370 -5.309 -8.207 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -6.451 -6.740 -8.686 1.00 0.00 H new ATOM 227 N LYS A 395 -5.121 0.979 -9.743 1.00 0.00 N ATOM 228 CA LYS A 395 -4.531 2.112 -10.468 1.00 0.00 C ATOM 229 C LYS A 395 -3.295 2.678 -9.733 1.00 0.00 C ATOM 230 O LYS A 395 -2.990 2.303 -8.595 1.00 0.00 O ATOM 231 CB LYS A 395 -5.598 3.211 -10.643 1.00 0.00 C ATOM 232 CG LYS A 395 -6.392 3.073 -11.948 1.00 0.00 C ATOM 233 CD LYS A 395 -7.292 4.293 -12.199 1.00 0.00 C ATOM 234 CE LYS A 395 -6.477 5.589 -12.364 1.00 0.00 C ATOM 235 NZ LYS A 395 -7.347 6.749 -12.695 1.00 0.00 N ATOM 0 H LYS A 395 -6.052 1.174 -9.376 1.00 0.00 H new ATOM 0 HA LYS A 395 -4.196 1.761 -11.444 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -6.287 3.178 -9.799 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -5.113 4.187 -10.620 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -5.702 2.953 -12.783 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -7.004 2.172 -11.908 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -7.889 4.124 -13.095 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -7.988 4.406 -11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -5.931 5.795 -11.443 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -5.735 5.454 -13.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -6.763 7.603 -12.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -7.849 6.563 -13.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -8.039 6.893 -11.932 1.00 0.00 H new ATOM 249 N GLU A 396 -2.601 3.627 -10.369 1.00 0.00 N ATOM 250 CA GLU A 396 -1.498 4.363 -9.755 1.00 0.00 C ATOM 251 C GLU A 396 -1.281 5.759 -10.353 1.00 0.00 C ATOM 252 O GLU A 396 -1.739 6.077 -11.456 1.00 0.00 O ATOM 253 CB GLU A 396 -0.210 3.517 -9.774 1.00 0.00 C ATOM 254 CG GLU A 396 0.329 3.249 -11.187 1.00 0.00 C ATOM 255 CD GLU A 396 1.606 2.403 -11.148 1.00 0.00 C ATOM 256 OE1 GLU A 396 1.556 1.236 -10.693 1.00 0.00 O ATOM 257 OE2 GLU A 396 2.672 2.877 -11.605 1.00 0.00 O ATOM 0 H GLU A 396 -2.792 3.906 -11.331 1.00 0.00 H new ATOM 0 HA GLU A 396 -1.779 4.543 -8.717 1.00 0.00 H new ATOM 0 HB2 GLU A 396 0.558 4.026 -9.192 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -0.404 2.564 -9.281 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -0.431 2.736 -11.777 1.00 0.00 H new ATOM 0 HG3 GLU A 396 0.534 4.196 -11.686 1.00 0.00 H new ATOM 264 N GLY A 397 -0.590 6.591 -9.574 1.00 0.00 N ATOM 265 CA GLY A 397 -0.298 8.003 -9.796 1.00 0.00 C ATOM 266 C GLY A 397 1.115 8.254 -10.354 1.00 0.00 C ATOM 267 O GLY A 397 1.731 7.333 -10.905 1.00 0.00 O ATOM 0 H GLY A 397 -0.186 6.264 -8.696 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -1.033 8.414 -10.489 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -0.410 8.542 -8.855 1.00 0.00 H new ATOM 271 N PRO A 398 1.628 9.497 -10.244 1.00 0.00 N ATOM 272 CA PRO A 398 2.908 9.902 -10.829 1.00 0.00 C ATOM 273 C PRO A 398 4.112 9.320 -10.070 1.00 0.00 C ATOM 274 O PRO A 398 3.975 8.775 -8.975 1.00 0.00 O ATOM 275 CB PRO A 398 2.885 11.436 -10.807 1.00 0.00 C ATOM 276 CG PRO A 398 2.012 11.763 -9.598 1.00 0.00 C ATOM 277 CD PRO A 398 0.984 10.633 -9.593 1.00 0.00 C ATOM 0 HA PRO A 398 3.026 9.517 -11.842 1.00 0.00 H new ATOM 0 HB2 PRO A 398 3.887 11.851 -10.702 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.466 11.844 -11.727 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.593 11.783 -8.676 1.00 0.00 H new ATOM 0 HG3 PRO A 398 1.537 12.739 -9.697 1.00 0.00 H new ATOM 0 HD2 PRO A 398 0.686 10.381 -8.575 1.00 0.00 H new ATOM 0 HD3 PRO A 398 0.080 10.926 -10.126 1.00 0.00 H new ATOM 285 N GLU A 399 5.308 9.444 -10.655 1.00 0.00 N ATOM 286 CA GLU A 399 6.559 8.973 -10.046 1.00 0.00 C ATOM 287 C GLU A 399 6.810 9.660 -8.689 1.00 0.00 C ATOM 288 O GLU A 399 6.772 10.888 -8.575 1.00 0.00 O ATOM 289 CB GLU A 399 7.731 9.182 -11.021 1.00 0.00 C ATOM 290 CG GLU A 399 9.041 8.578 -10.491 1.00 0.00 C ATOM 291 CD GLU A 399 10.160 8.657 -11.538 1.00 0.00 C ATOM 292 OE1 GLU A 399 10.722 9.758 -11.751 1.00 0.00 O ATOM 293 OE2 GLU A 399 10.490 7.611 -12.144 1.00 0.00 O ATOM 0 H GLU A 399 5.437 9.876 -11.570 1.00 0.00 H new ATOM 0 HA GLU A 399 6.473 7.905 -9.847 1.00 0.00 H new ATOM 0 HB2 GLU A 399 7.487 8.730 -11.982 1.00 0.00 H new ATOM 0 HB3 GLU A 399 7.870 10.249 -11.197 1.00 0.00 H new ATOM 0 HG2 GLU A 399 9.348 9.107 -9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 399 8.876 7.538 -10.211 1.00 0.00 H new ATOM 300 N GLY A 400 7.042 8.847 -7.651 1.00 0.00 N ATOM 301 CA GLY A 400 7.210 9.287 -6.259 1.00 0.00 C ATOM 302 C GLY A 400 5.920 9.244 -5.431 1.00 0.00 C ATOM 303 O GLY A 400 5.988 9.375 -4.210 1.00 0.00 O ATOM 0 H GLY A 400 7.120 7.836 -7.759 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.959 8.658 -5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.598 10.305 -6.255 1.00 0.00 H new ATOM 307 N ALA A 401 4.756 9.048 -6.063 1.00 0.00 N ATOM 308 CA ALA A 401 3.452 8.966 -5.395 1.00 0.00 C ATOM 309 C ALA A 401 2.997 7.527 -5.075 1.00 0.00 C ATOM 310 O ALA A 401 1.954 7.338 -4.449 1.00 0.00 O ATOM 311 CB ALA A 401 2.424 9.693 -6.268 1.00 0.00 C ATOM 0 H ALA A 401 4.694 8.940 -7.075 1.00 0.00 H new ATOM 0 HA ALA A 401 3.544 9.446 -4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 401 1.444 9.646 -5.792 1.00 0.00 H new ATOM 0 HB2 ALA A 401 2.720 10.735 -6.387 1.00 0.00 H new ATOM 0 HB3 ALA A 401 2.375 9.216 -7.247 1.00 0.00 H new ATOM 317 N ASN A 402 3.764 6.519 -5.507 1.00 0.00 N ATOM 318 CA ASN A 402 3.386 5.101 -5.485 1.00 0.00 C ATOM 319 C ASN A 402 4.180 4.338 -4.414 1.00 0.00 C ATOM 320 O ASN A 402 5.410 4.277 -4.477 1.00 0.00 O ATOM 321 CB ASN A 402 3.607 4.524 -6.896 1.00 0.00 C ATOM 322 CG ASN A 402 2.861 5.320 -7.966 1.00 0.00 C ATOM 323 OD1 ASN A 402 1.774 5.830 -7.737 1.00 0.00 O ATOM 324 ND2 ASN A 402 3.420 5.481 -9.147 1.00 0.00 N ATOM 0 H ASN A 402 4.695 6.673 -5.894 1.00 0.00 H new ATOM 0 HA ASN A 402 2.335 4.992 -5.217 1.00 0.00 H new ATOM 0 HB2 ASN A 402 4.673 4.522 -7.124 1.00 0.00 H new ATOM 0 HB3 ASN A 402 3.274 3.486 -6.919 1.00 0.00 H new ATOM 0 HD21 ASN A 402 2.946 6.029 -9.865 1.00 0.00 H new ATOM 0 HD22 ASN A 402 4.327 5.058 -9.344 1.00 0.00 H new ATOM 331 N LEU A 403 3.477 3.771 -3.426 1.00 0.00 N ATOM 332 CA LEU A 403 4.026 3.181 -2.202 1.00 0.00 C ATOM 333 C LEU A 403 3.665 1.698 -2.072 1.00 0.00 C ATOM 334 O LEU A 403 2.491 1.330 -2.168 1.00 0.00 O ATOM 335 CB LEU A 403 3.454 3.900 -0.957 1.00 0.00 C ATOM 336 CG LEU A 403 3.473 5.438 -0.925 1.00 0.00 C ATOM 337 CD1 LEU A 403 3.040 5.907 0.469 1.00 0.00 C ATOM 338 CD2 LEU A 403 4.858 5.993 -1.254 1.00 0.00 C ATOM 0 H LEU A 403 2.460 3.709 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 403 5.109 3.292 -2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 403 2.420 3.579 -0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 403 4.004 3.543 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 403 2.784 5.810 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 403 3.049 6.996 0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 403 2.033 5.545 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 403 3.729 5.513 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 403 4.831 7.082 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 403 5.580 5.626 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 403 5.153 5.667 -2.251 1.00 0.00 H new ATOM 350 N PHE A 404 4.662 0.871 -1.768 1.00 0.00 N ATOM 351 CA PHE A 404 4.494 -0.521 -1.352 1.00 0.00 C ATOM 352 C PHE A 404 4.693 -0.604 0.165 1.00 0.00 C ATOM 353 O PHE A 404 5.619 -0.014 0.724 1.00 0.00 O ATOM 354 CB PHE A 404 5.454 -1.431 -2.124 1.00 0.00 C ATOM 355 CG PHE A 404 4.959 -1.742 -3.522 1.00 0.00 C ATOM 356 CD1 PHE A 404 5.228 -0.860 -4.585 1.00 0.00 C ATOM 357 CD2 PHE A 404 4.173 -2.890 -3.747 1.00 0.00 C ATOM 358 CE1 PHE A 404 4.714 -1.128 -5.867 1.00 0.00 C ATOM 359 CE2 PHE A 404 3.667 -3.159 -5.030 1.00 0.00 C ATOM 360 CZ PHE A 404 3.938 -2.279 -6.092 1.00 0.00 C ATOM 0 H PHE A 404 5.640 1.159 -1.805 1.00 0.00 H new ATOM 0 HA PHE A 404 3.488 -0.871 -1.585 1.00 0.00 H new ATOM 0 HB2 PHE A 404 6.432 -0.953 -2.186 1.00 0.00 H new ATOM 0 HB3 PHE A 404 5.588 -2.362 -1.574 1.00 0.00 H new ATOM 0 HD1 PHE A 404 5.828 0.022 -4.417 1.00 0.00 H new ATOM 0 HD2 PHE A 404 3.959 -3.565 -2.931 1.00 0.00 H new ATOM 0 HE1 PHE A 404 4.916 -0.448 -6.681 1.00 0.00 H new ATOM 0 HE2 PHE A 404 3.070 -4.042 -5.200 1.00 0.00 H new ATOM 0 HZ PHE A 404 3.551 -2.486 -7.079 1.00 0.00 H new ATOM 370 N ILE A 405 3.775 -1.307 0.826 1.00 0.00 N ATOM 371 CA ILE A 405 3.618 -1.356 2.284 1.00 0.00 C ATOM 372 C ILE A 405 3.839 -2.800 2.742 1.00 0.00 C ATOM 373 O ILE A 405 3.298 -3.722 2.137 1.00 0.00 O ATOM 374 CB ILE A 405 2.188 -0.898 2.685 1.00 0.00 C ATOM 375 CG1 ILE A 405 1.596 0.301 1.901 1.00 0.00 C ATOM 376 CG2 ILE A 405 2.129 -0.628 4.200 1.00 0.00 C ATOM 377 CD1 ILE A 405 2.421 1.586 1.867 1.00 0.00 C ATOM 0 H ILE A 405 3.088 -1.885 0.341 1.00 0.00 H new ATOM 0 HA ILE A 405 4.341 -0.691 2.756 1.00 0.00 H new ATOM 0 HB ILE A 405 1.549 -1.735 2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 405 1.425 -0.018 0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 405 0.621 0.536 2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 405 1.124 -0.307 4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 405 2.379 -1.540 4.742 1.00 0.00 H new ATOM 0 HG23 ILE A 405 2.842 0.155 4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 405 1.893 2.342 1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 405 2.572 1.949 2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 405 3.388 1.385 1.406 1.00 0.00 H new ATOM 389 N TYR A 406 4.595 -3.011 3.815 1.00 0.00 N ATOM 390 CA TYR A 406 4.965 -4.337 4.326 1.00 0.00 C ATOM 391 C TYR A 406 4.784 -4.447 5.850 1.00 0.00 C ATOM 392 O TYR A 406 4.729 -3.443 6.564 1.00 0.00 O ATOM 393 CB TYR A 406 6.419 -4.661 3.945 1.00 0.00 C ATOM 394 CG TYR A 406 6.812 -4.399 2.503 1.00 0.00 C ATOM 395 CD1 TYR A 406 6.599 -5.383 1.518 1.00 0.00 C ATOM 396 CD2 TYR A 406 7.426 -3.179 2.152 1.00 0.00 C ATOM 397 CE1 TYR A 406 7.003 -5.152 0.189 1.00 0.00 C ATOM 398 CE2 TYR A 406 7.834 -2.941 0.826 1.00 0.00 C ATOM 399 CZ TYR A 406 7.628 -3.934 -0.161 1.00 0.00 C ATOM 400 OH TYR A 406 8.037 -3.725 -1.443 1.00 0.00 O ATOM 0 H TYR A 406 4.980 -2.248 4.371 1.00 0.00 H new ATOM 0 HA TYR A 406 4.293 -5.061 3.866 1.00 0.00 H new ATOM 0 HB2 TYR A 406 7.079 -4.081 4.590 1.00 0.00 H new ATOM 0 HB3 TYR A 406 6.604 -5.713 4.164 1.00 0.00 H new ATOM 0 HD1 TYR A 406 6.125 -6.317 1.783 1.00 0.00 H new ATOM 0 HD2 TYR A 406 7.584 -2.422 2.906 1.00 0.00 H new ATOM 0 HE1 TYR A 406 6.835 -5.907 -0.564 1.00 0.00 H new ATOM 0 HE2 TYR A 406 8.302 -2.004 0.563 1.00 0.00 H new ATOM 0 HH TYR A 406 8.446 -2.837 -1.515 1.00 0.00 H new ATOM 410 N HIS A 407 4.700 -5.686 6.344 1.00 0.00 N ATOM 411 CA HIS A 407 4.530 -6.054 7.758 1.00 0.00 C ATOM 412 C HIS A 407 3.202 -5.547 8.366 1.00 0.00 C ATOM 413 O HIS A 407 3.134 -5.197 9.546 1.00 0.00 O ATOM 414 CB HIS A 407 5.788 -5.668 8.553 1.00 0.00 C ATOM 415 CG HIS A 407 7.044 -6.262 7.979 1.00 0.00 C ATOM 416 ND1 HIS A 407 7.376 -7.618 7.990 1.00 0.00 N ATOM 417 CD2 HIS A 407 7.992 -5.576 7.277 1.00 0.00 C ATOM 418 CE1 HIS A 407 8.518 -7.711 7.290 1.00 0.00 C ATOM 419 NE2 HIS A 407 8.911 -6.506 6.848 1.00 0.00 N ATOM 0 H HIS A 407 4.751 -6.505 5.738 1.00 0.00 H new ATOM 0 HA HIS A 407 4.432 -7.138 7.825 1.00 0.00 H new ATOM 0 HB2 HIS A 407 5.881 -4.582 8.573 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.675 -5.997 9.586 1.00 0.00 H new ATOM 0 HD2 HIS A 407 8.016 -4.512 7.094 1.00 0.00 H new ATOM 0 HE1 HIS A 407 9.050 -8.633 7.107 1.00 0.00 H new ATOM 0 HE2 HIS A 407 9.744 -6.314 6.292 1.00 0.00 H new ATOM 427 N LEU A 408 2.142 -5.506 7.550 1.00 0.00 N ATOM 428 CA LEU A 408 0.767 -5.160 7.946 1.00 0.00 C ATOM 429 C LEU A 408 0.137 -6.264 8.823 1.00 0.00 C ATOM 430 O LEU A 408 0.653 -7.386 8.868 1.00 0.00 O ATOM 431 CB LEU A 408 -0.077 -4.930 6.668 1.00 0.00 C ATOM 432 CG LEU A 408 0.200 -3.601 5.938 1.00 0.00 C ATOM 433 CD1 LEU A 408 -0.371 -3.665 4.514 1.00 0.00 C ATOM 434 CD2 LEU A 408 -0.443 -2.415 6.677 1.00 0.00 C ATOM 0 H LEU A 408 2.219 -5.721 6.556 1.00 0.00 H new ATOM 0 HA LEU A 408 0.788 -4.249 8.544 1.00 0.00 H new ATOM 0 HB2 LEU A 408 0.106 -5.753 5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -1.133 -4.967 6.936 1.00 0.00 H new ATOM 0 HG LEU A 408 1.280 -3.453 5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.174 -2.724 4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 408 0.102 -4.482 3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -1.447 -3.834 4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -0.230 -1.492 6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -1.522 -2.562 6.732 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -0.034 -2.349 7.685 1.00 0.00 H new ATOM 446 N PRO A 409 -0.977 -5.979 9.521 1.00 0.00 N ATOM 447 CA PRO A 409 -1.777 -7.005 10.183 1.00 0.00 C ATOM 448 C PRO A 409 -2.326 -8.016 9.162 1.00 0.00 C ATOM 449 O PRO A 409 -2.750 -7.646 8.069 1.00 0.00 O ATOM 450 CB PRO A 409 -2.900 -6.253 10.912 1.00 0.00 C ATOM 451 CG PRO A 409 -2.324 -4.849 11.094 1.00 0.00 C ATOM 452 CD PRO A 409 -1.498 -4.656 9.829 1.00 0.00 C ATOM 0 HA PRO A 409 -1.186 -7.591 10.886 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -3.819 -6.238 10.327 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -3.139 -6.717 11.869 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -3.109 -4.098 11.183 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -1.711 -4.777 11.992 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -2.109 -4.271 9.012 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -0.691 -3.940 9.988 1.00 0.00 H new ATOM 460 N GLN A 410 -2.355 -9.298 9.534 1.00 0.00 N ATOM 461 CA GLN A 410 -2.910 -10.399 8.727 1.00 0.00 C ATOM 462 C GLN A 410 -4.442 -10.336 8.550 1.00 0.00 C ATOM 463 O GLN A 410 -5.020 -11.103 7.778 1.00 0.00 O ATOM 464 CB GLN A 410 -2.492 -11.744 9.341 1.00 0.00 C ATOM 465 CG GLN A 410 -3.002 -12.003 10.775 1.00 0.00 C ATOM 466 CD GLN A 410 -2.137 -11.404 11.896 1.00 0.00 C ATOM 467 OE1 GLN A 410 -1.176 -10.669 11.685 1.00 0.00 O ATOM 468 NE2 GLN A 410 -2.448 -11.683 13.144 1.00 0.00 N ATOM 0 H GLN A 410 -1.983 -9.613 10.430 1.00 0.00 H new ATOM 0 HA GLN A 410 -2.496 -10.294 7.724 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -2.850 -12.546 8.696 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -1.403 -11.800 9.345 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -4.011 -11.601 10.863 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -3.073 -13.080 10.929 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -3.241 -12.291 13.348 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -1.896 -11.291 13.907 1.00 0.00 H new ATOM 477 N GLU A 411 -5.085 -9.418 9.273 1.00 0.00 N ATOM 478 CA GLU A 411 -6.531 -9.169 9.278 1.00 0.00 C ATOM 479 C GLU A 411 -6.952 -7.874 8.547 1.00 0.00 C ATOM 480 O GLU A 411 -8.145 -7.627 8.353 1.00 0.00 O ATOM 481 CB GLU A 411 -7.022 -9.148 10.732 1.00 0.00 C ATOM 482 CG GLU A 411 -6.474 -7.988 11.580 1.00 0.00 C ATOM 483 CD GLU A 411 -7.010 -8.068 13.018 1.00 0.00 C ATOM 484 OE1 GLU A 411 -6.363 -8.721 13.871 1.00 0.00 O ATOM 485 OE2 GLU A 411 -8.078 -7.478 13.306 1.00 0.00 O ATOM 0 H GLU A 411 -4.586 -8.793 9.906 1.00 0.00 H new ATOM 0 HA GLU A 411 -6.998 -9.979 8.718 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -8.111 -9.097 10.733 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -6.746 -10.089 11.208 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -5.385 -8.021 11.590 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -6.760 -7.036 11.132 1.00 0.00 H new ATOM 492 N PHE A 412 -5.981 -7.037 8.164 1.00 0.00 N ATOM 493 CA PHE A 412 -6.194 -5.720 7.546 1.00 0.00 C ATOM 494 C PHE A 412 -6.742 -5.847 6.115 1.00 0.00 C ATOM 495 O PHE A 412 -6.181 -6.584 5.304 1.00 0.00 O ATOM 496 CB PHE A 412 -4.872 -4.921 7.559 1.00 0.00 C ATOM 497 CG PHE A 412 -4.939 -3.570 8.246 1.00 0.00 C ATOM 498 CD1 PHE A 412 -5.369 -3.485 9.585 1.00 0.00 C ATOM 499 CD2 PHE A 412 -4.526 -2.404 7.571 1.00 0.00 C ATOM 500 CE1 PHE A 412 -5.397 -2.243 10.242 1.00 0.00 C ATOM 501 CE2 PHE A 412 -4.548 -1.162 8.231 1.00 0.00 C ATOM 502 CZ PHE A 412 -4.991 -1.081 9.564 1.00 0.00 C ATOM 0 H PHE A 412 -4.993 -7.263 8.279 1.00 0.00 H new ATOM 0 HA PHE A 412 -6.943 -5.184 8.129 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -4.108 -5.523 8.050 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -4.547 -4.771 6.529 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -5.678 -4.378 10.108 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -4.192 -2.464 6.546 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -5.730 -2.182 11.267 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -4.225 -0.270 7.714 1.00 0.00 H new ATOM 0 HZ PHE A 412 -5.019 -0.125 10.066 1.00 0.00 H new ATOM 512 N GLY A 413 -7.811 -5.112 5.793 1.00 0.00 N ATOM 513 CA GLY A 413 -8.389 -5.036 4.446 1.00 0.00 C ATOM 514 C GLY A 413 -8.016 -3.761 3.692 1.00 0.00 C ATOM 515 O GLY A 413 -7.319 -2.884 4.203 1.00 0.00 O ATOM 0 H GLY A 413 -8.310 -4.541 6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 413 -8.059 -5.899 3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -9.475 -5.099 4.521 1.00 0.00 H new ATOM 519 N ASP A 414 -8.525 -3.644 2.465 1.00 0.00 N ATOM 520 CA ASP A 414 -8.271 -2.504 1.571 1.00 0.00 C ATOM 521 C ASP A 414 -8.789 -1.177 2.154 1.00 0.00 C ATOM 522 O ASP A 414 -8.189 -0.122 1.956 1.00 0.00 O ATOM 523 CB ASP A 414 -8.952 -2.750 0.216 1.00 0.00 C ATOM 524 CG ASP A 414 -8.539 -4.051 -0.480 1.00 0.00 C ATOM 525 OD1 ASP A 414 -7.355 -4.438 -0.376 1.00 0.00 O ATOM 526 OD2 ASP A 414 -9.382 -4.659 -1.177 1.00 0.00 O ATOM 0 H ASP A 414 -9.137 -4.349 2.054 1.00 0.00 H new ATOM 0 HA ASP A 414 -7.191 -2.421 1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -10.032 -2.760 0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -8.728 -1.913 -0.445 1.00 0.00 H new ATOM 531 N GLN A 415 -9.897 -1.250 2.892 1.00 0.00 N ATOM 532 CA GLN A 415 -10.562 -0.130 3.557 1.00 0.00 C ATOM 533 C GLN A 415 -9.768 0.327 4.783 1.00 0.00 C ATOM 534 O GLN A 415 -9.610 1.523 5.015 1.00 0.00 O ATOM 535 CB GLN A 415 -11.972 -0.557 4.002 1.00 0.00 C ATOM 536 CG GLN A 415 -12.908 -0.982 2.858 1.00 0.00 C ATOM 537 CD GLN A 415 -12.627 -2.359 2.240 1.00 0.00 C ATOM 538 OE1 GLN A 415 -11.951 -3.216 2.799 1.00 0.00 O ATOM 539 NE2 GLN A 415 -13.110 -2.620 1.043 1.00 0.00 N ATOM 0 H GLN A 415 -10.378 -2.135 3.050 1.00 0.00 H new ATOM 0 HA GLN A 415 -10.626 0.698 2.851 1.00 0.00 H new ATOM 0 HB2 GLN A 415 -11.881 -1.385 4.705 1.00 0.00 H new ATOM 0 HB3 GLN A 415 -12.433 0.270 4.542 1.00 0.00 H new ATOM 0 HG2 GLN A 415 -13.932 -0.974 3.230 1.00 0.00 H new ATOM 0 HG3 GLN A 415 -12.850 -0.232 2.069 1.00 0.00 H new ATOM 0 HE21 GLN A 415 -13.675 -1.923 0.558 1.00 0.00 H new ATOM 0 HE22 GLN A 415 -12.919 -3.519 0.601 1.00 0.00 H new ATOM 548 N ASP A 416 -9.236 -0.628 5.547 1.00 0.00 N ATOM 549 CA ASP A 416 -8.371 -0.360 6.700 1.00 0.00 C ATOM 550 C ASP A 416 -7.054 0.304 6.269 1.00 0.00 C ATOM 551 O ASP A 416 -6.618 1.272 6.893 1.00 0.00 O ATOM 552 CB ASP A 416 -8.087 -1.653 7.478 1.00 0.00 C ATOM 553 CG ASP A 416 -9.357 -2.365 7.956 1.00 0.00 C ATOM 554 OD1 ASP A 416 -10.042 -1.840 8.866 1.00 0.00 O ATOM 555 OD2 ASP A 416 -9.648 -3.465 7.429 1.00 0.00 O ATOM 0 H ASP A 416 -9.395 -1.622 5.382 1.00 0.00 H new ATOM 0 HA ASP A 416 -8.899 0.333 7.355 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -7.515 -2.331 6.845 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -7.463 -1.420 8.341 1.00 0.00 H new ATOM 560 N LEU A 417 -6.455 -0.159 5.160 1.00 0.00 N ATOM 561 CA LEU A 417 -5.266 0.458 4.573 1.00 0.00 C ATOM 562 C LEU A 417 -5.565 1.855 4.012 1.00 0.00 C ATOM 563 O LEU A 417 -4.755 2.764 4.185 1.00 0.00 O ATOM 564 CB LEU A 417 -4.682 -0.482 3.501 1.00 0.00 C ATOM 565 CG LEU A 417 -3.278 -0.063 3.017 1.00 0.00 C ATOM 566 CD1 LEU A 417 -2.233 -0.222 4.131 1.00 0.00 C ATOM 567 CD2 LEU A 417 -2.864 -0.914 1.809 1.00 0.00 C ATOM 0 H LEU A 417 -6.787 -0.976 4.647 1.00 0.00 H new ATOM 0 HA LEU A 417 -4.521 0.602 5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 417 -4.632 -1.494 3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 417 -5.359 -0.512 2.647 1.00 0.00 H new ATOM 0 HG LEU A 417 -3.324 0.988 2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 417 -1.255 0.081 3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 417 -2.508 0.404 4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 417 -2.194 -1.264 4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 417 -1.872 -0.612 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 417 -2.846 -1.966 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 417 -3.580 -0.770 1.000 1.00 0.00 H new ATOM 579 N LEU A 418 -6.740 2.068 3.406 1.00 0.00 N ATOM 580 CA LEU A 418 -7.176 3.396 2.968 1.00 0.00 C ATOM 581 C LEU A 418 -7.327 4.346 4.164 1.00 0.00 C ATOM 582 O LEU A 418 -6.766 5.439 4.148 1.00 0.00 O ATOM 583 CB LEU A 418 -8.480 3.264 2.156 1.00 0.00 C ATOM 584 CG LEU A 418 -9.036 4.606 1.642 1.00 0.00 C ATOM 585 CD1 LEU A 418 -8.082 5.276 0.646 1.00 0.00 C ATOM 586 CD2 LEU A 418 -10.409 4.389 1.001 1.00 0.00 C ATOM 0 H LEU A 418 -7.411 1.326 3.207 1.00 0.00 H new ATOM 0 HA LEU A 418 -6.417 3.834 2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -8.301 2.607 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -9.236 2.783 2.777 1.00 0.00 H new ATOM 0 HG LEU A 418 -9.136 5.275 2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -8.512 6.219 0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -7.125 5.467 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -7.930 4.619 -0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -10.797 5.342 0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -10.315 3.695 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -11.095 3.975 1.741 1.00 0.00 H new ATOM 598 N GLN A 419 -8.034 3.930 5.216 1.00 0.00 N ATOM 599 CA GLN A 419 -8.234 4.732 6.429 1.00 0.00 C ATOM 600 C GLN A 419 -6.920 5.024 7.176 1.00 0.00 C ATOM 601 O GLN A 419 -6.802 6.068 7.819 1.00 0.00 O ATOM 602 CB GLN A 419 -9.241 4.023 7.347 1.00 0.00 C ATOM 603 CG GLN A 419 -10.692 4.104 6.836 1.00 0.00 C ATOM 604 CD GLN A 419 -11.348 5.484 6.965 1.00 0.00 C ATOM 605 OE1 GLN A 419 -10.777 6.456 7.443 1.00 0.00 O ATOM 606 NE2 GLN A 419 -12.586 5.627 6.536 1.00 0.00 N ATOM 0 H GLN A 419 -8.489 3.018 5.252 1.00 0.00 H new ATOM 0 HA GLN A 419 -8.630 5.701 6.125 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -8.956 2.976 7.447 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -9.188 4.464 8.342 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -10.709 3.807 5.787 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -11.295 3.379 7.383 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -13.082 4.831 6.134 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -13.048 6.533 6.606 1.00 0.00 H new ATOM 615 N MET A 420 -5.912 4.152 7.052 1.00 0.00 N ATOM 616 CA MET A 420 -4.565 4.364 7.596 1.00 0.00 C ATOM 617 C MET A 420 -3.762 5.424 6.821 1.00 0.00 C ATOM 618 O MET A 420 -2.967 6.133 7.438 1.00 0.00 O ATOM 619 CB MET A 420 -3.844 3.005 7.646 1.00 0.00 C ATOM 620 CG MET A 420 -2.385 3.088 8.109 1.00 0.00 C ATOM 621 SD MET A 420 -1.532 1.490 8.141 1.00 0.00 S ATOM 622 CE MET A 420 -2.007 0.935 9.792 1.00 0.00 C ATOM 0 H MET A 420 -6.011 3.263 6.562 1.00 0.00 H new ATOM 0 HA MET A 420 -4.652 4.770 8.604 1.00 0.00 H new ATOM 0 HB2 MET A 420 -4.390 2.341 8.316 1.00 0.00 H new ATOM 0 HB3 MET A 420 -3.874 2.553 6.655 1.00 0.00 H new ATOM 0 HG2 MET A 420 -1.843 3.765 7.449 1.00 0.00 H new ATOM 0 HG3 MET A 420 -2.355 3.525 9.107 1.00 0.00 H new ATOM 0 HE1 MET A 420 -1.769 -0.123 9.903 1.00 0.00 H new ATOM 0 HE2 MET A 420 -1.461 1.510 10.540 1.00 0.00 H new ATOM 0 HE3 MET A 420 -3.078 1.082 9.931 1.00 0.00 H new ATOM 632 N PHE A 421 -3.970 5.565 5.504 1.00 0.00 N ATOM 633 CA PHE A 421 -3.150 6.414 4.624 1.00 0.00 C ATOM 634 C PHE A 421 -3.837 7.712 4.147 1.00 0.00 C ATOM 635 O PHE A 421 -3.144 8.669 3.793 1.00 0.00 O ATOM 636 CB PHE A 421 -2.602 5.562 3.465 1.00 0.00 C ATOM 637 CG PHE A 421 -1.368 4.738 3.821 1.00 0.00 C ATOM 638 CD1 PHE A 421 -1.476 3.570 4.600 1.00 0.00 C ATOM 639 CD2 PHE A 421 -0.091 5.147 3.385 1.00 0.00 C ATOM 640 CE1 PHE A 421 -0.329 2.842 4.961 1.00 0.00 C ATOM 641 CE2 PHE A 421 1.059 4.426 3.753 1.00 0.00 C ATOM 642 CZ PHE A 421 0.941 3.279 4.554 1.00 0.00 C ATOM 0 H PHE A 421 -4.724 5.086 5.012 1.00 0.00 H new ATOM 0 HA PHE A 421 -2.318 6.787 5.222 1.00 0.00 H new ATOM 0 HB2 PHE A 421 -3.387 4.889 3.121 1.00 0.00 H new ATOM 0 HB3 PHE A 421 -2.358 6.219 2.630 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -2.449 3.230 4.923 1.00 0.00 H new ATOM 0 HD2 PHE A 421 0.005 6.024 2.762 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -0.425 1.944 5.553 1.00 0.00 H new ATOM 0 HE2 PHE A 421 2.032 4.754 3.420 1.00 0.00 H new ATOM 0 HZ PHE A 421 1.824 2.735 4.856 1.00 0.00 H new ATOM 652 N MET A 422 -5.170 7.828 4.213 1.00 0.00 N ATOM 653 CA MET A 422 -5.891 9.081 3.943 1.00 0.00 C ATOM 654 C MET A 422 -5.458 10.304 4.788 1.00 0.00 C ATOM 655 O MET A 422 -5.479 11.406 4.231 1.00 0.00 O ATOM 656 CB MET A 422 -7.400 8.846 4.093 1.00 0.00 C ATOM 657 CG MET A 422 -8.010 8.222 2.834 1.00 0.00 C ATOM 658 SD MET A 422 -9.818 8.304 2.715 1.00 0.00 S ATOM 659 CE MET A 422 -10.298 7.436 4.230 1.00 0.00 C ATOM 0 H MET A 422 -5.783 7.050 4.457 1.00 0.00 H new ATOM 0 HA MET A 422 -5.627 9.347 2.920 1.00 0.00 H new ATOM 0 HB2 MET A 422 -7.582 8.193 4.946 1.00 0.00 H new ATOM 0 HB3 MET A 422 -7.895 9.793 4.305 1.00 0.00 H new ATOM 0 HG2 MET A 422 -7.584 8.717 1.962 1.00 0.00 H new ATOM 0 HG3 MET A 422 -7.708 7.176 2.786 1.00 0.00 H new ATOM 0 HE1 MET A 422 -11.365 7.215 4.200 1.00 0.00 H new ATOM 0 HE2 MET A 422 -9.736 6.505 4.310 1.00 0.00 H new ATOM 0 HE3 MET A 422 -10.082 8.065 5.094 1.00 0.00 H new ATOM 669 N PRO A 423 -5.037 10.170 6.067 1.00 0.00 N ATOM 670 CA PRO A 423 -4.554 11.289 6.883 1.00 0.00 C ATOM 671 C PRO A 423 -3.357 12.070 6.315 1.00 0.00 C ATOM 672 O PRO A 423 -3.114 13.191 6.765 1.00 0.00 O ATOM 673 CB PRO A 423 -4.202 10.683 8.245 1.00 0.00 C ATOM 674 CG PRO A 423 -5.167 9.507 8.358 1.00 0.00 C ATOM 675 CD PRO A 423 -5.225 9.003 6.920 1.00 0.00 C ATOM 0 HA PRO A 423 -5.340 12.043 6.925 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.163 10.357 8.285 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.343 11.400 9.054 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.800 8.743 9.043 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -6.147 9.817 8.721 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.449 8.260 6.737 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -6.182 8.522 6.715 1.00 0.00 H new ATOM 683 N PHE A 424 -2.621 11.519 5.336 1.00 0.00 N ATOM 684 CA PHE A 424 -1.430 12.152 4.749 1.00 0.00 C ATOM 685 C PHE A 424 -1.704 12.863 3.413 1.00 0.00 C ATOM 686 O PHE A 424 -0.861 13.633 2.950 1.00 0.00 O ATOM 687 CB PHE A 424 -0.320 11.101 4.614 1.00 0.00 C ATOM 688 CG PHE A 424 -0.148 10.257 5.860 1.00 0.00 C ATOM 689 CD1 PHE A 424 0.206 10.861 7.081 1.00 0.00 C ATOM 690 CD2 PHE A 424 -0.442 8.883 5.820 1.00 0.00 C ATOM 691 CE1 PHE A 424 0.244 10.097 8.261 1.00 0.00 C ATOM 692 CE2 PHE A 424 -0.378 8.115 6.994 1.00 0.00 C ATOM 693 CZ PHE A 424 -0.054 8.724 8.217 1.00 0.00 C ATOM 0 H PHE A 424 -2.839 10.611 4.926 1.00 0.00 H new ATOM 0 HA PHE A 424 -1.109 12.944 5.425 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -0.545 10.450 3.769 1.00 0.00 H new ATOM 0 HB3 PHE A 424 0.621 11.602 4.389 1.00 0.00 H new ATOM 0 HD1 PHE A 424 0.449 11.913 7.112 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -0.717 8.417 4.885 1.00 0.00 H new ATOM 0 HE1 PHE A 424 0.502 10.565 9.200 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -0.578 7.054 6.956 1.00 0.00 H new ATOM 0 HZ PHE A 424 -0.034 8.138 9.124 1.00 0.00 H new ATOM 703 N GLY A 425 -2.890 12.652 2.824 1.00 0.00 N ATOM 704 CA GLY A 425 -3.390 13.410 1.669 1.00 0.00 C ATOM 705 C GLY A 425 -4.235 12.614 0.676 1.00 0.00 C ATOM 706 O GLY A 425 -4.890 11.630 1.022 1.00 0.00 O ATOM 0 H GLY A 425 -3.541 11.935 3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 425 -3.984 14.247 2.036 1.00 0.00 H new ATOM 0 HA3 GLY A 425 -2.538 13.833 1.137 1.00 0.00 H new ATOM 710 N ASN A 426 -4.248 13.079 -0.575 1.00 0.00 N ATOM 711 CA ASN A 426 -5.158 12.611 -1.627 1.00 0.00 C ATOM 712 C ASN A 426 -4.777 11.220 -2.178 1.00 0.00 C ATOM 713 O ASN A 426 -4.129 11.110 -3.221 1.00 0.00 O ATOM 714 CB ASN A 426 -5.237 13.675 -2.740 1.00 0.00 C ATOM 715 CG ASN A 426 -5.865 14.993 -2.287 1.00 0.00 C ATOM 716 OD1 ASN A 426 -6.746 15.039 -1.435 1.00 0.00 O ATOM 717 ND2 ASN A 426 -5.431 16.109 -2.848 1.00 0.00 N ATOM 0 H ASN A 426 -3.611 13.809 -0.894 1.00 0.00 H new ATOM 0 HA ASN A 426 -6.147 12.480 -1.188 1.00 0.00 H new ATOM 0 HB2 ASN A 426 -4.232 13.871 -3.115 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -5.815 13.275 -3.573 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -5.829 17.007 -2.572 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -4.698 16.072 -3.557 1.00 0.00 H new ATOM 724 N VAL A 427 -5.188 10.158 -1.479 1.00 0.00 N ATOM 725 CA VAL A 427 -5.059 8.757 -1.930 1.00 0.00 C ATOM 726 C VAL A 427 -5.952 8.517 -3.160 1.00 0.00 C ATOM 727 O VAL A 427 -7.147 8.812 -3.138 1.00 0.00 O ATOM 728 CB VAL A 427 -5.405 7.741 -0.809 1.00 0.00 C ATOM 729 CG1 VAL A 427 -5.277 6.289 -1.303 1.00 0.00 C ATOM 730 CG2 VAL A 427 -4.488 7.890 0.416 1.00 0.00 C ATOM 0 H VAL A 427 -5.630 10.243 -0.564 1.00 0.00 H new ATOM 0 HA VAL A 427 -4.015 8.596 -2.198 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.435 7.960 -0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -5.527 5.605 -0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -5.960 6.127 -2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -4.254 6.105 -1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -4.770 7.158 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.453 7.724 0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -4.591 8.894 0.827 1.00 0.00 H new ATOM 740 N VAL A 428 -5.359 7.964 -4.219 1.00 0.00 N ATOM 741 CA VAL A 428 -6.005 7.558 -5.482 1.00 0.00 C ATOM 742 C VAL A 428 -6.397 6.073 -5.443 1.00 0.00 C ATOM 743 O VAL A 428 -7.474 5.710 -5.915 1.00 0.00 O ATOM 744 CB VAL A 428 -5.062 7.828 -6.685 1.00 0.00 C ATOM 745 CG1 VAL A 428 -5.589 7.279 -8.023 1.00 0.00 C ATOM 746 CG2 VAL A 428 -4.824 9.340 -6.856 1.00 0.00 C ATOM 0 H VAL A 428 -4.357 7.774 -4.225 1.00 0.00 H new ATOM 0 HA VAL A 428 -6.911 8.151 -5.604 1.00 0.00 H new ATOM 0 HB VAL A 428 -4.137 7.303 -6.446 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -4.876 7.506 -8.816 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -5.716 6.199 -7.948 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -6.548 7.742 -8.254 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -4.161 9.510 -7.704 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -5.776 9.840 -7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -4.367 9.741 -5.951 1.00 0.00 H new ATOM 756 N SER A 429 -5.562 5.222 -4.835 1.00 0.00 N ATOM 757 CA SER A 429 -5.734 3.762 -4.792 1.00 0.00 C ATOM 758 C SER A 429 -5.102 3.176 -3.523 1.00 0.00 C ATOM 759 O SER A 429 -4.067 3.668 -3.068 1.00 0.00 O ATOM 760 CB SER A 429 -5.085 3.104 -6.024 1.00 0.00 C ATOM 761 OG SER A 429 -5.663 3.536 -7.246 1.00 0.00 O ATOM 0 H SER A 429 -4.724 5.537 -4.345 1.00 0.00 H new ATOM 0 HA SER A 429 -6.804 3.555 -4.790 1.00 0.00 H new ATOM 0 HB2 SER A 429 -4.019 3.330 -6.032 1.00 0.00 H new ATOM 0 HB3 SER A 429 -5.181 2.021 -5.945 1.00 0.00 H new ATOM 0 HG SER A 429 -4.954 3.814 -7.863 1.00 0.00 H new ATOM 767 N ALA A 430 -5.699 2.115 -2.968 1.00 0.00 N ATOM 768 CA ALA A 430 -5.217 1.396 -1.788 1.00 0.00 C ATOM 769 C ALA A 430 -5.682 -0.069 -1.826 1.00 0.00 C ATOM 770 O ALA A 430 -6.846 -0.356 -2.116 1.00 0.00 O ATOM 771 CB ALA A 430 -5.712 2.115 -0.523 1.00 0.00 C ATOM 0 H ALA A 430 -6.562 1.721 -3.343 1.00 0.00 H new ATOM 0 HA ALA A 430 -4.127 1.389 -1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 430 -5.356 1.584 0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 430 -5.330 3.136 -0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 430 -6.802 2.136 -0.519 1.00 0.00 H new ATOM 777 N LYS A 431 -4.780 -1.006 -1.533 1.00 0.00 N ATOM 778 CA LYS A 431 -5.025 -2.445 -1.678 1.00 0.00 C ATOM 779 C LYS A 431 -4.118 -3.278 -0.749 1.00 0.00 C ATOM 780 O LYS A 431 -2.918 -3.028 -0.676 1.00 0.00 O ATOM 781 CB LYS A 431 -4.784 -2.816 -3.165 1.00 0.00 C ATOM 782 CG LYS A 431 -5.097 -4.278 -3.535 1.00 0.00 C ATOM 783 CD LYS A 431 -6.607 -4.540 -3.635 1.00 0.00 C ATOM 784 CE LYS A 431 -6.920 -6.028 -3.434 1.00 0.00 C ATOM 785 NZ LYS A 431 -8.380 -6.267 -3.289 1.00 0.00 N ATOM 0 H LYS A 431 -3.847 -0.787 -1.184 1.00 0.00 H new ATOM 0 HA LYS A 431 -6.051 -2.672 -1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -5.392 -2.162 -3.789 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -3.742 -2.611 -3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -4.624 -4.519 -4.487 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -4.664 -4.941 -2.787 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -7.133 -3.949 -2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -6.972 -4.216 -4.609 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -6.540 -6.598 -4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -6.402 -6.393 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -8.550 -7.276 -3.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -8.747 -5.703 -2.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -8.866 -5.989 -4.165 1.00 0.00 H new ATOM 799 N VAL A 432 -4.668 -4.291 -0.085 1.00 0.00 N ATOM 800 CA VAL A 432 -3.941 -5.327 0.667 1.00 0.00 C ATOM 801 C VAL A 432 -4.041 -6.634 -0.124 1.00 0.00 C ATOM 802 O VAL A 432 -5.119 -6.980 -0.610 1.00 0.00 O ATOM 803 CB VAL A 432 -4.528 -5.530 2.083 1.00 0.00 C ATOM 804 CG1 VAL A 432 -3.688 -6.557 2.863 1.00 0.00 C ATOM 805 CG2 VAL A 432 -4.568 -4.231 2.901 1.00 0.00 C ATOM 0 H VAL A 432 -5.679 -4.424 -0.051 1.00 0.00 H new ATOM 0 HA VAL A 432 -2.904 -5.016 0.790 1.00 0.00 H new ATOM 0 HB VAL A 432 -5.550 -5.882 1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 432 -4.111 -6.692 3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 432 -3.695 -7.510 2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 432 -2.663 -6.198 2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 432 -4.989 -4.434 3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 432 -3.557 -3.840 3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 432 -5.187 -3.496 2.386 1.00 0.00 H new ATOM 815 N PHE A 433 -2.928 -7.354 -0.271 1.00 0.00 N ATOM 816 CA PHE A 433 -2.885 -8.615 -1.016 1.00 0.00 C ATOM 817 C PHE A 433 -3.365 -9.786 -0.142 1.00 0.00 C ATOM 818 O PHE A 433 -3.016 -9.887 1.035 1.00 0.00 O ATOM 819 CB PHE A 433 -1.481 -8.805 -1.604 1.00 0.00 C ATOM 820 CG PHE A 433 -1.129 -7.727 -2.618 1.00 0.00 C ATOM 821 CD1 PHE A 433 -1.652 -7.789 -3.925 1.00 0.00 C ATOM 822 CD2 PHE A 433 -0.331 -6.630 -2.245 1.00 0.00 C ATOM 823 CE1 PHE A 433 -1.375 -6.763 -4.847 1.00 0.00 C ATOM 824 CE2 PHE A 433 -0.045 -5.609 -3.168 1.00 0.00 C ATOM 825 CZ PHE A 433 -0.570 -5.673 -4.469 1.00 0.00 C ATOM 0 H PHE A 433 -2.028 -7.079 0.124 1.00 0.00 H new ATOM 0 HA PHE A 433 -3.580 -8.585 -1.855 1.00 0.00 H new ATOM 0 HB2 PHE A 433 -0.748 -8.796 -0.798 1.00 0.00 H new ATOM 0 HB3 PHE A 433 -1.418 -9.783 -2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 433 -2.267 -8.626 -4.220 1.00 0.00 H new ATOM 0 HD2 PHE A 433 0.065 -6.572 -1.242 1.00 0.00 H new ATOM 0 HE1 PHE A 433 -1.781 -6.812 -5.847 1.00 0.00 H new ATOM 0 HE2 PHE A 433 0.578 -4.776 -2.877 1.00 0.00 H new ATOM 0 HZ PHE A 433 -0.356 -4.887 -5.178 1.00 0.00 H new ATOM 963 N LYS A 442 -1.787 -11.143 3.344 1.00 0.00 N ATOM 964 CA LYS A 442 -0.384 -11.584 3.250 1.00 0.00 C ATOM 965 C LYS A 442 0.619 -10.716 4.047 1.00 0.00 C ATOM 966 O LYS A 442 1.832 -10.899 3.925 1.00 0.00 O ATOM 967 CB LYS A 442 0.008 -11.664 1.761 1.00 0.00 C ATOM 968 CG LYS A 442 -0.799 -12.695 0.955 1.00 0.00 C ATOM 969 CD LYS A 442 -0.267 -12.767 -0.483 1.00 0.00 C ATOM 970 CE LYS A 442 -1.031 -13.827 -1.285 1.00 0.00 C ATOM 971 NZ LYS A 442 -0.529 -13.935 -2.680 1.00 0.00 N ATOM 0 HA LYS A 442 -0.324 -12.566 3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 442 -0.123 -10.681 1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.067 -11.910 1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 442 -0.728 -13.675 1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 442 -1.854 -12.420 0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 442 -0.370 -11.794 -0.964 1.00 0.00 H new ATOM 0 HD3 LYS A 442 0.796 -13.007 -0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 442 -0.938 -14.794 -0.790 1.00 0.00 H new ATOM 0 HE3 LYS A 442 -2.092 -13.577 -1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 -1.071 -14.662 -3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 -0.641 -13.020 -3.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 0.477 -14.199 -2.668 1.00 0.00 H new ATOM 985 N CYS A 443 0.121 -9.746 4.824 1.00 0.00 N ATOM 986 CA CYS A 443 0.874 -8.739 5.590 1.00 0.00 C ATOM 987 C CYS A 443 1.621 -7.729 4.691 1.00 0.00 C ATOM 988 O CYS A 443 2.542 -7.066 5.161 1.00 0.00 O ATOM 989 CB CYS A 443 1.793 -9.406 6.633 1.00 0.00 C ATOM 990 SG CYS A 443 0.852 -10.540 7.701 1.00 0.00 S ATOM 0 H CYS A 443 -0.886 -9.634 4.944 1.00 0.00 H new ATOM 0 HA CYS A 443 0.143 -8.144 6.138 1.00 0.00 H new ATOM 0 HB2 CYS A 443 2.587 -9.954 6.126 1.00 0.00 H new ATOM 0 HB3 CYS A 443 2.273 -8.640 7.243 1.00 0.00 H new ATOM 0 HG CYS A 443 1.654 -11.087 8.566 1.00 0.00 H new ATOM 996 N PHE A 444 1.223 -7.570 3.425 1.00 0.00 N ATOM 997 CA PHE A 444 1.753 -6.540 2.525 1.00 0.00 C ATOM 998 C PHE A 444 0.672 -6.007 1.572 1.00 0.00 C ATOM 999 O PHE A 444 -0.345 -6.661 1.323 1.00 0.00 O ATOM 1000 CB PHE A 444 3.026 -7.032 1.810 1.00 0.00 C ATOM 1001 CG PHE A 444 2.830 -8.100 0.749 1.00 0.00 C ATOM 1002 CD1 PHE A 444 2.524 -7.730 -0.574 1.00 0.00 C ATOM 1003 CD2 PHE A 444 3.004 -9.460 1.068 1.00 0.00 C ATOM 1004 CE1 PHE A 444 2.361 -8.715 -1.565 1.00 0.00 C ATOM 1005 CE2 PHE A 444 2.854 -10.443 0.073 1.00 0.00 C ATOM 1006 CZ PHE A 444 2.522 -10.073 -1.241 1.00 0.00 C ATOM 0 H PHE A 444 0.514 -8.161 2.990 1.00 0.00 H new ATOM 0 HA PHE A 444 2.057 -5.682 3.124 1.00 0.00 H new ATOM 0 HB2 PHE A 444 3.512 -6.173 1.346 1.00 0.00 H new ATOM 0 HB3 PHE A 444 3.713 -7.419 2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 444 2.414 -6.686 -0.829 1.00 0.00 H new ATOM 0 HD2 PHE A 444 3.253 -9.749 2.078 1.00 0.00 H new ATOM 0 HE1 PHE A 444 2.112 -8.427 -2.576 1.00 0.00 H new ATOM 0 HE2 PHE A 444 2.994 -11.485 0.320 1.00 0.00 H new ATOM 0 HZ PHE A 444 2.391 -10.830 -2.000 1.00 0.00 H new ATOM 1016 N GLY A 445 0.886 -4.784 1.083 1.00 0.00 N ATOM 1017 CA GLY A 445 -0.079 -3.978 0.336 1.00 0.00 C ATOM 1018 C GLY A 445 0.564 -2.898 -0.534 1.00 0.00 C ATOM 1019 O GLY A 445 1.788 -2.798 -0.644 1.00 0.00 O ATOM 0 H GLY A 445 1.779 -4.307 1.203 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -0.675 -4.635 -0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -0.765 -3.505 1.039 1.00 0.00 H new ATOM 1023 N PHE A 446 -0.285 -2.078 -1.144 1.00 0.00 N ATOM 1024 CA PHE A 446 0.069 -0.985 -2.044 1.00 0.00 C ATOM 1025 C PHE A 446 -0.864 0.214 -1.815 1.00 0.00 C ATOM 1026 O PHE A 446 -2.054 0.036 -1.551 1.00 0.00 O ATOM 1027 CB PHE A 446 -0.013 -1.490 -3.494 1.00 0.00 C ATOM 1028 CG PHE A 446 0.244 -0.414 -4.532 1.00 0.00 C ATOM 1029 CD1 PHE A 446 1.561 0.006 -4.793 1.00 0.00 C ATOM 1030 CD2 PHE A 446 -0.829 0.199 -5.208 1.00 0.00 C ATOM 1031 CE1 PHE A 446 1.809 1.029 -5.723 1.00 0.00 C ATOM 1032 CE2 PHE A 446 -0.580 1.225 -6.137 1.00 0.00 C ATOM 1033 CZ PHE A 446 0.738 1.639 -6.399 1.00 0.00 C ATOM 0 H PHE A 446 -1.294 -2.162 -1.017 1.00 0.00 H new ATOM 0 HA PHE A 446 1.087 -0.650 -1.844 1.00 0.00 H new ATOM 0 HB2 PHE A 446 0.711 -2.294 -3.631 1.00 0.00 H new ATOM 0 HB3 PHE A 446 -1.001 -1.918 -3.665 1.00 0.00 H new ATOM 0 HD1 PHE A 446 2.386 -0.461 -4.275 1.00 0.00 H new ATOM 0 HD2 PHE A 446 -1.843 -0.119 -5.013 1.00 0.00 H new ATOM 0 HE1 PHE A 446 2.822 1.347 -5.919 1.00 0.00 H new ATOM 0 HE2 PHE A 446 -1.404 1.697 -6.651 1.00 0.00 H new ATOM 0 HZ PHE A 446 0.927 2.423 -7.117 1.00 0.00 H new ATOM 1043 N VAL A 447 -0.328 1.430 -1.935 1.00 0.00 N ATOM 1044 CA VAL A 447 -1.058 2.704 -1.804 1.00 0.00 C ATOM 1045 C VAL A 447 -0.505 3.688 -2.836 1.00 0.00 C ATOM 1046 O VAL A 447 0.695 3.713 -3.082 1.00 0.00 O ATOM 1047 CB VAL A 447 -0.941 3.299 -0.376 1.00 0.00 C ATOM 1048 CG1 VAL A 447 -1.671 4.648 -0.241 1.00 0.00 C ATOM 1049 CG2 VAL A 447 -1.509 2.350 0.692 1.00 0.00 C ATOM 0 H VAL A 447 0.663 1.566 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 447 -2.117 2.519 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 447 0.127 3.444 -0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 447 -1.559 5.022 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 447 -1.242 5.365 -0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 447 -2.729 4.513 -0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 447 -1.406 2.807 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 447 -2.563 2.161 0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 447 -0.961 1.408 0.670 1.00 0.00 H new ATOM 1059 N SER A 448 -1.357 4.517 -3.436 1.00 0.00 N ATOM 1060 CA SER A 448 -0.942 5.540 -4.403 1.00 0.00 C ATOM 1061 C SER A 448 -1.709 6.853 -4.218 1.00 0.00 C ATOM 1062 O SER A 448 -2.908 6.845 -3.937 1.00 0.00 O ATOM 1063 CB SER A 448 -1.151 5.015 -5.826 1.00 0.00 C ATOM 1064 OG SER A 448 -0.716 5.965 -6.772 1.00 0.00 O ATOM 0 H SER A 448 -2.363 4.500 -3.266 1.00 0.00 H new ATOM 0 HA SER A 448 0.114 5.750 -4.231 1.00 0.00 H new ATOM 0 HB2 SER A 448 -0.603 4.082 -5.960 1.00 0.00 H new ATOM 0 HB3 SER A 448 -2.206 4.791 -5.986 1.00 0.00 H new ATOM 0 HG SER A 448 0.252 5.879 -6.901 1.00 0.00 H new ATOM 1070 N TYR A 449 -1.020 7.983 -4.400 1.00 0.00 N ATOM 1071 CA TYR A 449 -1.546 9.343 -4.245 1.00 0.00 C ATOM 1072 C TYR A 449 -1.602 10.133 -5.568 1.00 0.00 C ATOM 1073 O TYR A 449 -0.994 9.767 -6.575 1.00 0.00 O ATOM 1074 CB TYR A 449 -0.680 10.107 -3.227 1.00 0.00 C ATOM 1075 CG TYR A 449 -0.759 9.605 -1.800 1.00 0.00 C ATOM 1076 CD1 TYR A 449 0.006 8.495 -1.392 1.00 0.00 C ATOM 1077 CD2 TYR A 449 -1.597 10.259 -0.875 1.00 0.00 C ATOM 1078 CE1 TYR A 449 -0.052 8.054 -0.059 1.00 0.00 C ATOM 1079 CE2 TYR A 449 -1.665 9.818 0.457 1.00 0.00 C ATOM 1080 CZ TYR A 449 -0.889 8.714 0.865 1.00 0.00 C ATOM 1081 OH TYR A 449 -0.962 8.260 2.139 1.00 0.00 O ATOM 0 H TYR A 449 -0.037 7.975 -4.671 1.00 0.00 H new ATOM 0 HA TYR A 449 -2.574 9.249 -3.894 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.359 10.062 -3.553 1.00 0.00 H new ATOM 0 HB3 TYR A 449 -0.973 11.157 -3.242 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.637 7.983 -2.103 1.00 0.00 H new ATOM 0 HD2 TYR A 449 -2.190 11.104 -1.192 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.544 7.211 0.258 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -2.308 10.322 1.164 1.00 0.00 H new ATOM 0 HH TYR A 449 -1.821 8.522 2.531 1.00 0.00 H new ATOM 1091 N ASP A 450 -2.292 11.275 -5.534 1.00 0.00 N ATOM 1092 CA ASP A 450 -2.316 12.293 -6.595 1.00 0.00 C ATOM 1093 C ASP A 450 -0.931 12.924 -6.868 1.00 0.00 C ATOM 1094 O ASP A 450 -0.684 13.436 -7.959 1.00 0.00 O ATOM 1095 CB ASP A 450 -3.326 13.367 -6.160 1.00 0.00 C ATOM 1096 CG ASP A 450 -3.344 14.604 -7.072 1.00 0.00 C ATOM 1097 OD1 ASP A 450 -3.979 14.548 -8.152 1.00 0.00 O ATOM 1098 OD2 ASP A 450 -2.743 15.633 -6.677 1.00 0.00 O ATOM 0 H ASP A 450 -2.874 11.529 -4.736 1.00 0.00 H new ATOM 0 HA ASP A 450 -2.605 11.823 -7.535 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -4.323 12.928 -6.139 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -3.094 13.680 -5.142 1.00 0.00 H new ATOM 1103 N ASN A 451 -0.024 12.870 -5.886 1.00 0.00 N ATOM 1104 CA ASN A 451 1.269 13.561 -5.890 1.00 0.00 C ATOM 1105 C ASN A 451 2.266 12.936 -4.895 1.00 0.00 C ATOM 1106 O ASN A 451 1.848 12.318 -3.908 1.00 0.00 O ATOM 1107 CB ASN A 451 1.056 15.055 -5.570 1.00 0.00 C ATOM 1108 CG ASN A 451 0.293 15.293 -4.273 1.00 0.00 C ATOM 1109 OD1 ASN A 451 0.852 15.162 -3.191 1.00 0.00 O ATOM 1110 ND2 ASN A 451 -0.979 15.637 -4.331 1.00 0.00 N ATOM 0 H ASN A 451 -0.176 12.325 -5.037 1.00 0.00 H new ATOM 0 HA ASN A 451 1.702 13.455 -6.884 1.00 0.00 H new ATOM 0 HB2 ASN A 451 2.026 15.548 -5.508 1.00 0.00 H new ATOM 0 HB3 ASN A 451 0.514 15.522 -6.393 1.00 0.00 H new ATOM 0 HD21 ASN A 451 -1.504 15.796 -3.471 1.00 0.00 H new ATOM 0 HD22 ASN A 451 -1.438 15.744 -5.236 1.00 0.00 H new ATOM 1117 N PRO A 452 3.584 13.142 -5.101 1.00 0.00 N ATOM 1118 CA PRO A 452 4.606 12.685 -4.168 1.00 0.00 C ATOM 1119 C PRO A 452 4.609 13.443 -2.832 1.00 0.00 C ATOM 1120 O PRO A 452 5.188 12.929 -1.881 1.00 0.00 O ATOM 1121 CB PRO A 452 5.940 12.838 -4.905 1.00 0.00 C ATOM 1122 CG PRO A 452 5.682 13.947 -5.918 1.00 0.00 C ATOM 1123 CD PRO A 452 4.207 13.761 -6.269 1.00 0.00 C ATOM 0 HA PRO A 452 4.410 11.652 -3.881 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.745 13.104 -4.220 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.232 11.910 -5.396 1.00 0.00 H new ATOM 0 HG2 PRO A 452 5.874 14.933 -5.494 1.00 0.00 H new ATOM 0 HG3 PRO A 452 6.321 13.848 -6.796 1.00 0.00 H new ATOM 0 HD2 PRO A 452 3.738 14.718 -6.499 1.00 0.00 H new ATOM 0 HD3 PRO A 452 4.093 13.130 -7.151 1.00 0.00 H new ATOM 1131 N VAL A 453 3.958 14.612 -2.709 1.00 0.00 N ATOM 1132 CA VAL A 453 3.997 15.397 -1.454 1.00 0.00 C ATOM 1133 C VAL A 453 3.153 14.716 -0.366 1.00 0.00 C ATOM 1134 O VAL A 453 3.606 14.551 0.765 1.00 0.00 O ATOM 1135 CB VAL A 453 3.553 16.866 -1.668 1.00 0.00 C ATOM 1136 CG1 VAL A 453 3.628 17.683 -0.366 1.00 0.00 C ATOM 1137 CG2 VAL A 453 4.425 17.560 -2.731 1.00 0.00 C ATOM 0 H VAL A 453 3.402 15.035 -3.453 1.00 0.00 H new ATOM 0 HA VAL A 453 5.034 15.428 -1.120 1.00 0.00 H new ATOM 0 HB VAL A 453 2.517 16.828 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 453 3.308 18.707 -0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 453 2.975 17.235 0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 453 4.654 17.687 0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 453 4.091 18.589 -2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 453 5.466 17.554 -2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 453 4.336 17.028 -3.678 1.00 0.00 H new ATOM 1147 N SER A 454 1.958 14.241 -0.727 1.00 0.00 N ATOM 1148 CA SER A 454 1.087 13.452 0.156 1.00 0.00 C ATOM 1149 C SER A 454 1.671 12.059 0.450 1.00 0.00 C ATOM 1150 O SER A 454 1.490 11.517 1.540 1.00 0.00 O ATOM 1151 CB SER A 454 -0.294 13.281 -0.494 1.00 0.00 C ATOM 1152 OG SER A 454 -0.945 14.518 -0.754 1.00 0.00 O ATOM 0 H SER A 454 1.560 14.395 -1.654 1.00 0.00 H new ATOM 0 HA SER A 454 1.005 13.995 1.098 1.00 0.00 H new ATOM 0 HB2 SER A 454 -0.183 12.732 -1.429 1.00 0.00 H new ATOM 0 HB3 SER A 454 -0.924 12.676 0.158 1.00 0.00 H new ATOM 0 HG SER A 454 -0.531 14.948 -1.531 1.00 0.00 H new ATOM 1158 N ALA A 455 2.417 11.492 -0.507 1.00 0.00 N ATOM 1159 CA ALA A 455 3.008 10.162 -0.395 1.00 0.00 C ATOM 1160 C ALA A 455 4.239 10.142 0.523 1.00 0.00 C ATOM 1161 O ALA A 455 4.317 9.317 1.430 1.00 0.00 O ATOM 1162 CB ALA A 455 3.327 9.680 -1.813 1.00 0.00 C ATOM 0 H ALA A 455 2.627 11.955 -1.391 1.00 0.00 H new ATOM 0 HA ALA A 455 2.301 9.480 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 455 3.772 8.686 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 455 2.409 9.641 -2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 455 4.028 10.370 -2.283 1.00 0.00 H new ATOM 1168 N GLN A 456 5.173 11.084 0.353 1.00 0.00 N ATOM 1169 CA GLN A 456 6.358 11.214 1.210 1.00 0.00 C ATOM 1170 C GLN A 456 5.983 11.520 2.666 1.00 0.00 C ATOM 1171 O GLN A 456 6.667 11.060 3.583 1.00 0.00 O ATOM 1172 CB GLN A 456 7.285 12.311 0.652 1.00 0.00 C ATOM 1173 CG GLN A 456 8.050 11.878 -0.613 1.00 0.00 C ATOM 1174 CD GLN A 456 9.134 10.823 -0.364 1.00 0.00 C ATOM 1175 OE1 GLN A 456 9.548 10.543 0.755 1.00 0.00 O ATOM 1176 NE2 GLN A 456 9.635 10.186 -1.400 1.00 0.00 N ATOM 0 H GLN A 456 5.128 11.783 -0.388 1.00 0.00 H new ATOM 0 HA GLN A 456 6.881 10.258 1.206 1.00 0.00 H new ATOM 0 HB2 GLN A 456 6.692 13.197 0.424 1.00 0.00 H new ATOM 0 HB3 GLN A 456 8.002 12.597 1.422 1.00 0.00 H new ATOM 0 HG2 GLN A 456 7.337 11.485 -1.338 1.00 0.00 H new ATOM 0 HG3 GLN A 456 8.511 12.757 -1.063 1.00 0.00 H new ATOM 0 HE21 GLN A 456 9.305 10.403 -2.340 1.00 0.00 H new ATOM 0 HE22 GLN A 456 10.353 9.475 -1.263 1.00 0.00 H new ATOM 1185 N ALA A 457 4.875 12.231 2.901 1.00 0.00 N ATOM 1186 CA ALA A 457 4.327 12.446 4.241 1.00 0.00 C ATOM 1187 C ALA A 457 3.855 11.139 4.905 1.00 0.00 C ATOM 1188 O ALA A 457 3.972 11.003 6.124 1.00 0.00 O ATOM 1189 CB ALA A 457 3.193 13.473 4.139 1.00 0.00 C ATOM 0 H ALA A 457 4.331 12.675 2.161 1.00 0.00 H new ATOM 0 HA ALA A 457 5.116 12.829 4.888 1.00 0.00 H new ATOM 0 HB1 ALA A 457 2.770 13.648 5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 457 3.585 14.409 3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 457 2.417 13.093 3.475 1.00 0.00 H new ATOM 1195 N ALA A 458 3.389 10.156 4.124 1.00 0.00 N ATOM 1196 CA ALA A 458 3.007 8.841 4.628 1.00 0.00 C ATOM 1197 C ALA A 458 4.231 7.968 4.933 1.00 0.00 C ATOM 1198 O ALA A 458 4.282 7.355 5.998 1.00 0.00 O ATOM 1199 CB ALA A 458 2.071 8.175 3.618 1.00 0.00 C ATOM 0 H ALA A 458 3.267 10.257 3.116 1.00 0.00 H new ATOM 0 HA ALA A 458 2.481 8.962 5.575 1.00 0.00 H new ATOM 0 HB1 ALA A 458 1.780 7.191 3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 458 1.181 8.791 3.485 1.00 0.00 H new ATOM 0 HB3 ALA A 458 2.584 8.068 2.662 1.00 0.00 H new ATOM 1205 N ILE A 459 5.253 7.963 4.063 1.00 0.00 N ATOM 1206 CA ILE A 459 6.510 7.219 4.313 1.00 0.00 C ATOM 1207 C ILE A 459 7.160 7.706 5.615 1.00 0.00 C ATOM 1208 O ILE A 459 7.523 6.896 6.465 1.00 0.00 O ATOM 1209 CB ILE A 459 7.513 7.314 3.133 1.00 0.00 C ATOM 1210 CG1 ILE A 459 6.860 6.962 1.781 1.00 0.00 C ATOM 1211 CG2 ILE A 459 8.715 6.378 3.389 1.00 0.00 C ATOM 1212 CD1 ILE A 459 7.809 7.114 0.590 1.00 0.00 C ATOM 0 H ILE A 459 5.239 8.466 3.176 1.00 0.00 H new ATOM 0 HA ILE A 459 6.245 6.166 4.410 1.00 0.00 H new ATOM 0 HB ILE A 459 7.850 8.349 3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 459 6.497 5.935 1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 459 5.991 7.602 1.628 1.00 0.00 H new ATOM 0 HG21 ILE A 459 9.415 6.449 2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 459 9.216 6.673 4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 459 8.363 5.350 3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 459 7.285 6.850 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 459 8.153 8.147 0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 459 8.666 6.453 0.721 1.00 0.00 H new ATOM 1224 N GLN A 460 7.241 9.025 5.806 1.00 0.00 N ATOM 1225 CA GLN A 460 7.854 9.640 6.989 1.00 0.00 C ATOM 1226 C GLN A 460 7.010 9.488 8.271 1.00 0.00 C ATOM 1227 O GLN A 460 7.524 9.724 9.364 1.00 0.00 O ATOM 1228 CB GLN A 460 8.137 11.123 6.696 1.00 0.00 C ATOM 1229 CG GLN A 460 9.254 11.317 5.658 1.00 0.00 C ATOM 1230 CD GLN A 460 9.358 12.776 5.216 1.00 0.00 C ATOM 1231 OE1 GLN A 460 10.213 13.539 5.654 1.00 0.00 O ATOM 1232 NE2 GLN A 460 8.480 13.220 4.340 1.00 0.00 N ATOM 0 H GLN A 460 6.879 9.705 5.137 1.00 0.00 H new ATOM 0 HA GLN A 460 8.785 9.108 7.186 1.00 0.00 H new ATOM 0 HB2 GLN A 460 7.225 11.599 6.336 1.00 0.00 H new ATOM 0 HB3 GLN A 460 8.415 11.626 7.622 1.00 0.00 H new ATOM 0 HG2 GLN A 460 10.206 10.995 6.081 1.00 0.00 H new ATOM 0 HG3 GLN A 460 9.060 10.686 4.791 1.00 0.00 H new ATOM 0 HE21 GLN A 460 7.766 12.592 3.971 1.00 0.00 H new ATOM 0 HE22 GLN A 460 8.514 14.191 4.031 1.00 0.00 H new ATOM 1241 N SER A 461 5.744 9.070 8.171 1.00 0.00 N ATOM 1242 CA SER A 461 4.856 8.865 9.329 1.00 0.00 C ATOM 1243 C SER A 461 4.654 7.385 9.697 1.00 0.00 C ATOM 1244 O SER A 461 4.480 7.071 10.878 1.00 0.00 O ATOM 1245 CB SER A 461 3.482 9.499 9.064 1.00 0.00 C ATOM 1246 OG SER A 461 3.579 10.902 8.866 1.00 0.00 O ATOM 0 H SER A 461 5.299 8.861 7.277 1.00 0.00 H new ATOM 0 HA SER A 461 5.352 9.346 10.172 1.00 0.00 H new ATOM 0 HB2 SER A 461 3.032 9.038 8.185 1.00 0.00 H new ATOM 0 HB3 SER A 461 2.819 9.295 9.905 1.00 0.00 H new ATOM 0 HG SER A 461 3.741 11.088 7.917 1.00 0.00 H new ATOM 1252 N MET A 462 4.699 6.472 8.716 1.00 0.00 N ATOM 1253 CA MET A 462 4.305 5.064 8.884 1.00 0.00 C ATOM 1254 C MET A 462 5.458 4.063 8.794 1.00 0.00 C ATOM 1255 O MET A 462 5.315 2.934 9.262 1.00 0.00 O ATOM 1256 CB MET A 462 3.230 4.700 7.850 1.00 0.00 C ATOM 1257 CG MET A 462 1.982 5.591 7.939 1.00 0.00 C ATOM 1258 SD MET A 462 1.271 5.815 9.597 1.00 0.00 S ATOM 1259 CE MET A 462 0.702 4.142 9.946 1.00 0.00 C ATOM 0 H MET A 462 5.014 6.693 7.771 1.00 0.00 H new ATOM 0 HA MET A 462 3.919 4.986 9.900 1.00 0.00 H new ATOM 0 HB2 MET A 462 3.655 4.779 6.849 1.00 0.00 H new ATOM 0 HB3 MET A 462 2.937 3.660 7.990 1.00 0.00 H new ATOM 0 HG2 MET A 462 2.233 6.573 7.539 1.00 0.00 H new ATOM 0 HG3 MET A 462 1.214 5.170 7.291 1.00 0.00 H new ATOM 0 HE1 MET A 462 -0.064 4.172 10.721 1.00 0.00 H new ATOM 0 HE2 MET A 462 0.284 3.703 9.040 1.00 0.00 H new ATOM 0 HE3 MET A 462 1.541 3.536 10.289 1.00 0.00 H new ATOM 1269 N ASN A 463 6.608 4.437 8.232 1.00 0.00 N ATOM 1270 CA ASN A 463 7.757 3.538 8.150 1.00 0.00 C ATOM 1271 C ASN A 463 8.369 3.302 9.550 1.00 0.00 C ATOM 1272 O ASN A 463 8.909 4.223 10.168 1.00 0.00 O ATOM 1273 CB ASN A 463 8.756 4.110 7.138 1.00 0.00 C ATOM 1274 CG ASN A 463 9.860 3.114 6.826 1.00 0.00 C ATOM 1275 OD1 ASN A 463 9.587 2.019 6.352 1.00 0.00 O ATOM 1276 ND2 ASN A 463 11.111 3.444 7.086 1.00 0.00 N ATOM 0 H ASN A 463 6.768 5.359 7.826 1.00 0.00 H new ATOM 0 HA ASN A 463 7.449 2.554 7.795 1.00 0.00 H new ATOM 0 HB2 ASN A 463 8.234 4.376 6.219 1.00 0.00 H new ATOM 0 HB3 ASN A 463 9.192 5.027 7.534 1.00 0.00 H new ATOM 0 HD21 ASN A 463 11.864 2.783 6.892 1.00 0.00 H new ATOM 0 HD22 ASN A 463 11.325 4.360 7.481 1.00 0.00 H new ATOM 1283 N GLY A 464 8.248 2.071 10.060 1.00 0.00 N ATOM 1284 CA GLY A 464 8.631 1.655 11.420 1.00 0.00 C ATOM 1285 C GLY A 464 7.512 1.757 12.468 1.00 0.00 C ATOM 1286 O GLY A 464 7.763 1.448 13.633 1.00 0.00 O ATOM 0 H GLY A 464 7.863 1.300 9.513 1.00 0.00 H new ATOM 0 HA2 GLY A 464 8.981 0.623 11.383 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.472 2.266 11.748 1.00 0.00 H new ATOM 1290 N PHE A 465 6.294 2.165 12.086 1.00 0.00 N ATOM 1291 CA PHE A 465 5.138 2.314 12.984 1.00 0.00 C ATOM 1292 C PHE A 465 4.754 0.975 13.626 1.00 0.00 C ATOM 1293 O PHE A 465 4.493 0.006 12.912 1.00 0.00 O ATOM 1294 CB PHE A 465 3.965 2.883 12.169 1.00 0.00 C ATOM 1295 CG PHE A 465 2.678 3.134 12.937 1.00 0.00 C ATOM 1296 CD1 PHE A 465 2.459 4.392 13.530 1.00 0.00 C ATOM 1297 CD2 PHE A 465 1.679 2.140 13.026 1.00 0.00 C ATOM 1298 CE1 PHE A 465 1.255 4.658 14.207 1.00 0.00 C ATOM 1299 CE2 PHE A 465 0.473 2.410 13.699 1.00 0.00 C ATOM 1300 CZ PHE A 465 0.262 3.667 14.291 1.00 0.00 C ATOM 0 H PHE A 465 6.079 2.407 11.119 1.00 0.00 H new ATOM 0 HA PHE A 465 5.394 2.994 13.796 1.00 0.00 H new ATOM 0 HB2 PHE A 465 4.284 3.822 11.718 1.00 0.00 H new ATOM 0 HB3 PHE A 465 3.749 2.194 11.352 1.00 0.00 H new ATOM 0 HD1 PHE A 465 3.219 5.156 13.465 1.00 0.00 H new ATOM 0 HD2 PHE A 465 1.841 1.171 12.577 1.00 0.00 H new ATOM 0 HE1 PHE A 465 1.094 5.624 14.662 1.00 0.00 H new ATOM 0 HE2 PHE A 465 -0.292 1.650 13.761 1.00 0.00 H new ATOM 0 HZ PHE A 465 -0.663 3.871 14.810 1.00 0.00 H new ATOM 1310 N GLN A 466 4.708 0.911 14.960 1.00 0.00 N ATOM 1311 CA GLN A 466 4.291 -0.299 15.670 1.00 0.00 C ATOM 1312 C GLN A 466 2.766 -0.430 15.652 1.00 0.00 C ATOM 1313 O GLN A 466 2.041 0.501 16.006 1.00 0.00 O ATOM 1314 CB GLN A 466 4.849 -0.317 17.104 1.00 0.00 C ATOM 1315 CG GLN A 466 4.647 -1.703 17.751 1.00 0.00 C ATOM 1316 CD GLN A 466 5.122 -1.795 19.203 1.00 0.00 C ATOM 1317 OE1 GLN A 466 6.039 -1.114 19.649 1.00 0.00 O ATOM 1318 NE2 GLN A 466 4.517 -2.653 20.001 1.00 0.00 N ATOM 0 H GLN A 466 4.956 1.689 15.572 1.00 0.00 H new ATOM 0 HA GLN A 466 4.705 -1.165 15.154 1.00 0.00 H new ATOM 0 HB2 GLN A 466 5.910 -0.068 17.090 1.00 0.00 H new ATOM 0 HB3 GLN A 466 4.351 0.445 17.703 1.00 0.00 H new ATOM 0 HG2 GLN A 466 3.588 -1.959 17.710 1.00 0.00 H new ATOM 0 HG3 GLN A 466 5.178 -2.448 17.159 1.00 0.00 H new ATOM 0 HE21 GLN A 466 3.752 -3.227 19.646 1.00 0.00 H new ATOM 0 HE22 GLN A 466 4.814 -2.742 20.973 1.00 0.00 H new ATOM 1327 N ILE A 467 2.281 -1.616 15.285 1.00 0.00 N ATOM 1328 CA ILE A 467 0.862 -1.970 15.255 1.00 0.00 C ATOM 1329 C ILE A 467 0.698 -3.378 15.850 1.00 0.00 C ATOM 1330 O ILE A 467 1.108 -4.381 15.266 1.00 0.00 O ATOM 1331 CB ILE A 467 0.301 -1.752 13.826 1.00 0.00 C ATOM 1332 CG1 ILE A 467 -1.238 -1.775 13.866 1.00 0.00 C ATOM 1333 CG2 ILE A 467 0.884 -2.699 12.757 1.00 0.00 C ATOM 1334 CD1 ILE A 467 -1.905 -1.337 12.558 1.00 0.00 C ATOM 0 H ILE A 467 2.886 -2.383 14.990 1.00 0.00 H new ATOM 0 HA ILE A 467 0.251 -1.320 15.881 1.00 0.00 H new ATOM 0 HB ILE A 467 0.634 -0.767 13.500 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -1.569 -2.784 14.110 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -1.579 -1.124 14.671 1.00 0.00 H new ATOM 0 HG21 ILE A 467 0.435 -2.475 11.789 1.00 0.00 H new ATOM 0 HG22 ILE A 467 1.963 -2.560 12.697 1.00 0.00 H new ATOM 0 HG23 ILE A 467 0.666 -3.732 13.028 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -2.988 -1.381 12.669 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -1.606 -0.316 12.321 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -1.596 -2.002 11.751 1.00 0.00 H new ATOM 1392 N ARG A 471 6.029 -4.145 13.476 1.00 0.00 N ATOM 1393 CA ARG A 471 6.293 -2.794 12.944 1.00 0.00 C ATOM 1394 C ARG A 471 6.205 -2.776 11.416 1.00 0.00 C ATOM 1395 O ARG A 471 6.806 -3.623 10.756 1.00 0.00 O ATOM 1396 CB ARG A 471 7.667 -2.263 13.391 1.00 0.00 C ATOM 1397 CG ARG A 471 7.705 -1.905 14.882 1.00 0.00 C ATOM 1398 CD ARG A 471 9.075 -1.352 15.289 1.00 0.00 C ATOM 1399 NE ARG A 471 9.085 -0.943 16.705 1.00 0.00 N ATOM 1400 CZ ARG A 471 8.805 0.261 17.196 1.00 0.00 C ATOM 1401 NH1 ARG A 471 8.443 1.272 16.433 1.00 0.00 N ATOM 1402 NH2 ARG A 471 8.882 0.464 18.492 1.00 0.00 N ATOM 0 HA ARG A 471 5.523 -2.139 13.352 1.00 0.00 H new ATOM 0 HB2 ARG A 471 8.428 -3.015 13.182 1.00 0.00 H new ATOM 0 HB3 ARG A 471 7.920 -1.381 12.803 1.00 0.00 H new ATOM 0 HG2 ARG A 471 6.933 -1.167 15.100 1.00 0.00 H new ATOM 0 HG3 ARG A 471 7.477 -2.790 15.476 1.00 0.00 H new ATOM 0 HD2 ARG A 471 9.840 -2.110 15.121 1.00 0.00 H new ATOM 0 HD3 ARG A 471 9.327 -0.499 14.659 1.00 0.00 H new ATOM 0 HE ARG A 471 9.334 -1.663 17.383 1.00 0.00 H new ATOM 0 HH11 ARG A 471 8.368 1.148 15.423 1.00 0.00 H new ATOM 0 HH12 ARG A 471 8.237 2.179 16.852 1.00 0.00 H new ATOM 0 HH21 ARG A 471 9.155 -0.298 19.112 1.00 0.00 H new ATOM 0 HH22 ARG A 471 8.669 1.384 18.878 1.00 0.00 H new ATOM 1416 N LEU A 472 5.475 -1.801 10.869 1.00 0.00 N ATOM 1417 CA LEU A 472 5.313 -1.572 9.430 1.00 0.00 C ATOM 1418 C LEU A 472 6.634 -1.178 8.752 1.00 0.00 C ATOM 1419 O LEU A 472 7.535 -0.629 9.385 1.00 0.00 O ATOM 1420 CB LEU A 472 4.291 -0.438 9.192 1.00 0.00 C ATOM 1421 CG LEU A 472 2.870 -0.626 9.755 1.00 0.00 C ATOM 1422 CD1 LEU A 472 1.980 0.530 9.281 1.00 0.00 C ATOM 1423 CD2 LEU A 472 2.254 -1.957 9.320 1.00 0.00 C ATOM 0 H LEU A 472 4.962 -1.125 11.435 1.00 0.00 H new ATOM 0 HA LEU A 472 4.966 -2.510 8.996 1.00 0.00 H new ATOM 0 HB2 LEU A 472 4.702 0.478 9.617 1.00 0.00 H new ATOM 0 HB3 LEU A 472 4.208 -0.282 8.116 1.00 0.00 H new ATOM 0 HG LEU A 472 2.938 -0.632 10.843 1.00 0.00 H new ATOM 0 HD11 LEU A 472 0.973 0.400 9.678 1.00 0.00 H new ATOM 0 HD12 LEU A 472 2.391 1.475 9.636 1.00 0.00 H new ATOM 0 HD13 LEU A 472 1.943 0.537 8.192 1.00 0.00 H new ATOM 0 HD21 LEU A 472 1.252 -2.049 9.739 1.00 0.00 H new ATOM 0 HD22 LEU A 472 2.197 -1.993 8.232 1.00 0.00 H new ATOM 0 HD23 LEU A 472 2.874 -2.779 9.678 1.00 0.00 H new ATOM 1435 N LYS A 473 6.707 -1.369 7.436 1.00 0.00 N ATOM 1436 CA LYS A 473 7.758 -0.829 6.561 1.00 0.00 C ATOM 1437 C LYS A 473 7.111 -0.285 5.275 1.00 0.00 C ATOM 1438 O LYS A 473 6.146 -0.866 4.783 1.00 0.00 O ATOM 1439 CB LYS A 473 8.839 -1.902 6.306 1.00 0.00 C ATOM 1440 CG LYS A 473 10.012 -1.354 5.470 1.00 0.00 C ATOM 1441 CD LYS A 473 11.254 -2.253 5.477 1.00 0.00 C ATOM 1442 CE LYS A 473 10.997 -3.643 4.885 1.00 0.00 C ATOM 1443 NZ LYS A 473 12.227 -4.474 4.926 1.00 0.00 N ATOM 0 H LYS A 473 6.016 -1.921 6.928 1.00 0.00 H new ATOM 0 HA LYS A 473 8.271 0.006 7.039 1.00 0.00 H new ATOM 0 HB2 LYS A 473 9.215 -2.271 7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 473 8.392 -2.751 5.790 1.00 0.00 H new ATOM 0 HG2 LYS A 473 9.680 -1.219 4.441 1.00 0.00 H new ATOM 0 HG3 LYS A 473 10.286 -0.369 5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 473 12.050 -1.767 4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 473 11.610 -2.362 6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 473 10.201 -4.138 5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 473 10.653 -3.546 3.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 12.027 -5.410 4.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 12.978 -4.011 4.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 12.539 -4.584 5.912 1.00 0.00 H new ATOM 1457 N VAL A 474 7.602 0.832 4.740 1.00 0.00 N ATOM 1458 CA VAL A 474 7.019 1.525 3.578 1.00 0.00 C ATOM 1459 C VAL A 474 8.150 1.984 2.654 1.00 0.00 C ATOM 1460 O VAL A 474 9.153 2.511 3.133 1.00 0.00 O ATOM 1461 CB VAL A 474 6.175 2.754 4.005 1.00 0.00 C ATOM 1462 CG1 VAL A 474 5.450 3.342 2.788 1.00 0.00 C ATOM 1463 CG2 VAL A 474 5.134 2.419 5.086 1.00 0.00 C ATOM 0 H VAL A 474 8.434 1.295 5.106 1.00 0.00 H new ATOM 0 HA VAL A 474 6.358 0.829 3.062 1.00 0.00 H new ATOM 0 HB VAL A 474 6.873 3.477 4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 474 4.860 4.205 3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 474 6.183 3.652 2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 474 4.792 2.588 2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 474 4.575 3.318 5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 474 4.448 1.661 4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 474 5.640 2.040 5.974 1.00 0.00 H new ATOM 1473 N GLN A 475 7.988 1.805 1.340 1.00 0.00 N ATOM 1474 CA GLN A 475 8.983 2.195 0.335 1.00 0.00 C ATOM 1475 C GLN A 475 8.302 2.587 -0.984 1.00 0.00 C ATOM 1476 O GLN A 475 7.228 2.080 -1.313 1.00 0.00 O ATOM 1477 CB GLN A 475 9.975 1.027 0.141 1.00 0.00 C ATOM 1478 CG GLN A 475 11.247 1.373 -0.660 1.00 0.00 C ATOM 1479 CD GLN A 475 12.109 2.456 -0.002 1.00 0.00 C ATOM 1480 OE1 GLN A 475 12.222 2.561 1.211 1.00 0.00 O ATOM 1481 NE2 GLN A 475 12.736 3.325 -0.766 1.00 0.00 N ATOM 0 H GLN A 475 7.152 1.380 0.939 1.00 0.00 H new ATOM 0 HA GLN A 475 9.532 3.072 0.678 1.00 0.00 H new ATOM 0 HB2 GLN A 475 10.272 0.657 1.122 1.00 0.00 H new ATOM 0 HB3 GLN A 475 9.457 0.212 -0.364 1.00 0.00 H new ATOM 0 HG2 GLN A 475 11.845 0.470 -0.785 1.00 0.00 H new ATOM 0 HG3 GLN A 475 10.959 1.705 -1.658 1.00 0.00 H new ATOM 0 HE21 GLN A 475 12.659 3.261 -1.781 1.00 0.00 H new ATOM 0 HE22 GLN A 475 13.299 4.063 -0.343 1.00 0.00 H new ATOM 1490 N LEU A 476 8.933 3.480 -1.752 1.00 0.00 N ATOM 1491 CA LEU A 476 8.518 3.799 -3.124 1.00 0.00 C ATOM 1492 C LEU A 476 8.557 2.576 -4.059 1.00 0.00 C ATOM 1493 O LEU A 476 9.345 1.645 -3.882 1.00 0.00 O ATOM 1494 CB LEU A 476 9.426 4.899 -3.713 1.00 0.00 C ATOM 1495 CG LEU A 476 9.348 6.291 -3.061 1.00 0.00 C ATOM 1496 CD1 LEU A 476 10.316 7.226 -3.797 1.00 0.00 C ATOM 1497 CD2 LEU A 476 7.932 6.872 -3.139 1.00 0.00 C ATOM 0 H LEU A 476 9.750 4.005 -1.439 1.00 0.00 H new ATOM 0 HA LEU A 476 7.486 4.143 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 476 10.458 4.554 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 476 9.186 5.006 -4.771 1.00 0.00 H new ATOM 0 HG LEU A 476 9.615 6.198 -2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 476 10.275 8.219 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 476 11.330 6.834 -3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 476 10.032 7.290 -4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 476 7.916 7.855 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 476 7.634 6.964 -4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 476 7.238 6.210 -2.621 1.00 0.00 H new ATOM 1509 N LYS A 477 7.770 2.639 -5.138 1.00 0.00 N ATOM 1510 CA LYS A 477 7.819 1.684 -6.261 1.00 0.00 C ATOM 1511 C LYS A 477 9.179 1.682 -7.000 1.00 0.00 C ATOM 1512 O LYS A 477 9.540 0.685 -7.633 1.00 0.00 O ATOM 1513 CB LYS A 477 6.640 2.013 -7.204 1.00 0.00 C ATOM 1514 CG LYS A 477 6.579 1.094 -8.439 1.00 0.00 C ATOM 1515 CD LYS A 477 5.302 1.295 -9.263 1.00 0.00 C ATOM 1516 CE LYS A 477 5.348 0.353 -10.473 1.00 0.00 C ATOM 1517 NZ LYS A 477 4.167 0.522 -11.352 1.00 0.00 N ATOM 0 H LYS A 477 7.066 3.367 -5.262 1.00 0.00 H new ATOM 0 HA LYS A 477 7.722 0.669 -5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 477 5.705 1.929 -6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 477 6.724 3.049 -7.533 1.00 0.00 H new ATOM 0 HG2 LYS A 477 7.447 1.282 -9.070 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.639 0.054 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.422 1.087 -8.654 1.00 0.00 H new ATOM 0 HD3 LYS A 477 5.223 2.331 -9.593 1.00 0.00 H new ATOM 0 HE2 LYS A 477 6.256 0.542 -11.045 1.00 0.00 H new ATOM 0 HE3 LYS A 477 5.398 -0.679 -10.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 4.278 -0.070 -12.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 3.309 0.236 -10.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 4.085 1.519 -11.635 1.00 0.00 H new