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 394 GLN : amide:sc= 0.997 K(o=2.2,f=-5.7!) USER MOD Set 1.2: A 431 LYS NZ :NH3+ 172:sc= 1.17 (180deg=0) 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 402 ASN : amide:sc= 0.659 K(o=0.66,f=-6.2!) 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=-0.0071) USER MOD Single : A 415 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 419 GLN : amide:sc= 0.831 K(o=0.83,f=0) USER MOD Single : A 420 MET CE :methyl 163:sc= 0 (180deg=-0.656) USER MOD Single : A 422 MET CE :methyl -173:sc= -0.472 (180deg=-0.53) USER MOD Single : A 426 ASN : amide:sc= -0.0153 K(o=-0.015,f=-0.92) USER MOD Single : A 429 SER OG : rot 36:sc= 0.567 USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 CYS SG : rot -85:sc= 0.0837 USER MOD Single : A 448 SER OG : rot -152:sc= 0.271 USER MOD Single : A 449 TYR OH : rot -156:sc= 1.07 USER MOD Single : A 451 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.15) USER MOD Single : A 454 SER OG : rot 180:sc= 0 USER MOD Single : A 456 GLN : amide:sc= -0.022 X(o=-0.022,f=-0.45) USER MOD Single : A 460 GLN : amide:sc= 0.326 X(o=0.33,f=0) USER MOD Single : A 461 SER OG : rot 89:sc= 1.08 USER MOD Single : A 462 MET CE :methyl -159:sc= -0.0399 (180deg=-0.557) USER MOD Single : A 463 ASN : amide:sc= 0.808 K(o=0.81,f=-6.9!) USER MOD Single : A 466 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.12) USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 477 LYS NZ :NH3+ 179:sc= 1.09 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 182 N ALA A 391 -10.150 1.949 -2.005 1.00 0.00 N ATOM 183 CA ALA A 391 -9.997 0.657 -1.338 1.00 0.00 C ATOM 184 C ALA A 391 -10.386 -0.484 -2.295 1.00 0.00 C ATOM 185 O ALA A 391 -11.532 -0.569 -2.748 1.00 0.00 O ATOM 186 CB ALA A 391 -10.865 0.651 -0.075 1.00 0.00 C ATOM 0 HA ALA A 391 -8.957 0.501 -1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -10.761 -0.308 0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -10.544 1.452 0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -11.909 0.804 -0.350 1.00 0.00 H new ATOM 192 N GLY A 392 -9.414 -1.338 -2.624 1.00 0.00 N ATOM 193 CA GLY A 392 -9.540 -2.444 -3.582 1.00 0.00 C ATOM 194 C GLY A 392 -9.310 -2.013 -5.034 1.00 0.00 C ATOM 195 O GLY A 392 -9.189 -2.866 -5.912 1.00 0.00 O ATOM 0 H GLY A 392 -8.481 -1.278 -2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -8.824 -3.224 -3.323 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -10.534 -2.882 -3.493 1.00 0.00 H new ATOM 199 N SER A 393 -9.214 -0.709 -5.293 1.00 0.00 N ATOM 200 CA SER A 393 -8.776 -0.155 -6.577 1.00 0.00 C ATOM 201 C SER A 393 -7.244 -0.276 -6.711 1.00 0.00 C ATOM 202 O SER A 393 -6.528 -0.421 -5.716 1.00 0.00 O ATOM 203 CB SER A 393 -9.222 1.313 -6.704 1.00 0.00 C ATOM 204 OG SER A 393 -10.626 1.481 -6.524 1.00 0.00 O ATOM 0 H SER A 393 -9.443 0.007 -4.604 1.00 0.00 H new ATOM 0 HA SER A 393 -9.238 -0.723 -7.385 1.00 0.00 H new ATOM 0 HB2 SER A 393 -8.691 1.914 -5.966 1.00 0.00 H new ATOM 0 HB3 SER A 393 -8.938 1.690 -7.686 1.00 0.00 H new ATOM 0 HG SER A 393 -10.856 2.429 -6.613 1.00 0.00 H new ATOM 210 N GLN A 394 -6.725 -0.236 -7.942 1.00 0.00 N ATOM 211 CA GLN A 394 -5.304 -0.483 -8.217 1.00 0.00 C ATOM 212 C GLN A 394 -4.745 0.474 -9.287 1.00 0.00 C ATOM 213 O GLN A 394 -3.849 0.125 -10.060 1.00 0.00 O ATOM 214 CB GLN A 394 -5.097 -1.983 -8.515 1.00 0.00 C ATOM 215 CG GLN A 394 -3.725 -2.478 -8.027 1.00 0.00 C ATOM 216 CD GLN A 394 -3.456 -3.930 -8.426 1.00 0.00 C ATOM 217 OE1 GLN A 394 -4.265 -4.826 -8.206 1.00 0.00 O ATOM 218 NE2 GLN A 394 -2.320 -4.235 -9.018 1.00 0.00 N ATOM 0 H GLN A 394 -7.276 -0.032 -8.776 1.00 0.00 H new ATOM 0 HA GLN A 394 -4.710 -0.253 -7.333 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -5.885 -2.562 -8.033 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -5.186 -2.156 -9.588 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -2.943 -1.840 -8.439 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -3.673 -2.386 -6.942 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -1.633 -3.506 -9.210 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -2.127 -5.201 -9.284 1.00 0.00 H new ATOM 227 N LYS A 395 -5.283 1.698 -9.341 1.00 0.00 N ATOM 228 CA LYS A 395 -4.705 2.805 -10.113 1.00 0.00 C ATOM 229 C LYS A 395 -3.383 3.285 -9.485 1.00 0.00 C ATOM 230 O LYS A 395 -3.024 2.906 -8.365 1.00 0.00 O ATOM 231 CB LYS A 395 -5.693 3.986 -10.148 1.00 0.00 C ATOM 232 CG LYS A 395 -6.855 3.827 -11.134 1.00 0.00 C ATOM 233 CD LYS A 395 -7.748 5.080 -11.137 1.00 0.00 C ATOM 234 CE LYS A 395 -6.955 6.366 -11.437 1.00 0.00 C ATOM 235 NZ LYS A 395 -7.846 7.552 -11.545 1.00 0.00 N ATOM 0 H LYS A 395 -6.139 1.950 -8.846 1.00 0.00 H new ATOM 0 HA LYS A 395 -4.509 2.445 -11.123 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -6.102 4.128 -9.148 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -5.143 4.893 -10.400 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -6.465 3.651 -12.137 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -7.448 2.953 -10.865 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -8.535 4.960 -11.881 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -8.238 5.176 -10.168 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -6.222 6.533 -10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -6.400 6.242 -12.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -7.275 8.398 -11.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -8.530 7.404 -12.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -8.357 7.685 -10.649 1.00 0.00 H new ATOM 249 N GLU A 396 -2.694 4.209 -10.160 1.00 0.00 N ATOM 250 CA GLU A 396 -1.551 4.904 -9.580 1.00 0.00 C ATOM 251 C GLU A 396 -1.357 6.330 -10.116 1.00 0.00 C ATOM 252 O GLU A 396 -1.891 6.697 -11.165 1.00 0.00 O ATOM 253 CB GLU A 396 -0.285 4.037 -9.721 1.00 0.00 C ATOM 254 CG GLU A 396 0.147 3.793 -11.173 1.00 0.00 C ATOM 255 CD GLU A 396 1.479 3.037 -11.239 1.00 0.00 C ATOM 256 OE1 GLU A 396 1.549 1.869 -10.789 1.00 0.00 O ATOM 257 OE2 GLU A 396 2.473 3.588 -11.764 1.00 0.00 O ATOM 0 H GLU A 396 -2.913 4.492 -11.115 1.00 0.00 H new ATOM 0 HA GLU A 396 -1.759 5.044 -8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 396 0.534 4.518 -9.185 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -0.460 3.075 -9.239 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -0.623 3.223 -11.693 1.00 0.00 H new ATOM 0 HG3 GLU A 396 0.242 4.747 -11.692 1.00 0.00 H new ATOM 264 N GLY A 397 -0.607 7.134 -9.354 1.00 0.00 N ATOM 265 CA GLY A 397 -0.326 8.550 -9.612 1.00 0.00 C ATOM 266 C GLY A 397 1.073 8.799 -10.205 1.00 0.00 C ATOM 267 O GLY A 397 1.667 7.873 -10.770 1.00 0.00 O ATOM 0 H GLY A 397 -0.159 6.799 -8.501 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -1.078 8.943 -10.297 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -0.422 9.107 -8.680 1.00 0.00 H new ATOM 271 N PRO A 398 1.597 10.039 -10.107 1.00 0.00 N ATOM 272 CA PRO A 398 2.857 10.445 -10.733 1.00 0.00 C ATOM 273 C PRO A 398 4.088 9.822 -10.056 1.00 0.00 C ATOM 274 O PRO A 398 3.993 9.179 -9.011 1.00 0.00 O ATOM 275 CB PRO A 398 2.859 11.979 -10.670 1.00 0.00 C ATOM 276 CG PRO A 398 2.028 12.287 -9.426 1.00 0.00 C ATOM 277 CD PRO A 398 0.976 11.179 -9.438 1.00 0.00 C ATOM 0 HA PRO A 398 2.923 10.087 -11.761 1.00 0.00 H new ATOM 0 HB2 PRO A 398 3.871 12.376 -10.585 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.419 12.418 -11.565 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.632 12.261 -8.519 1.00 0.00 H new ATOM 0 HG3 PRO A 398 1.574 13.276 -9.478 1.00 0.00 H new ATOM 0 HD2 PRO A 398 0.673 10.918 -8.424 1.00 0.00 H new ATOM 0 HD3 PRO A 398 0.078 11.500 -9.967 1.00 0.00 H new ATOM 285 N GLU A 399 5.263 10.019 -10.666 1.00 0.00 N ATOM 286 CA GLU A 399 6.548 9.498 -10.181 1.00 0.00 C ATOM 287 C GLU A 399 6.856 10.024 -8.765 1.00 0.00 C ATOM 288 O GLU A 399 6.912 11.234 -8.532 1.00 0.00 O ATOM 289 CB GLU A 399 7.645 9.854 -11.204 1.00 0.00 C ATOM 290 CG GLU A 399 8.972 9.105 -11.014 1.00 0.00 C ATOM 291 CD GLU A 399 9.875 9.709 -9.925 1.00 0.00 C ATOM 292 OE1 GLU A 399 10.374 10.845 -10.108 1.00 0.00 O ATOM 293 OE2 GLU A 399 10.134 9.027 -8.907 1.00 0.00 O ATOM 0 H GLU A 399 5.349 10.556 -11.529 1.00 0.00 H new ATOM 0 HA GLU A 399 6.505 8.412 -10.093 1.00 0.00 H new ATOM 0 HB2 GLU A 399 7.268 9.648 -12.206 1.00 0.00 H new ATOM 0 HB3 GLU A 399 7.838 10.925 -11.150 1.00 0.00 H new ATOM 0 HG2 GLU A 399 8.759 8.066 -10.762 1.00 0.00 H new ATOM 0 HG3 GLU A 399 9.514 9.099 -11.960 1.00 0.00 H new ATOM 300 N GLY A 400 7.016 9.099 -7.809 1.00 0.00 N ATOM 301 CA GLY A 400 7.237 9.388 -6.384 1.00 0.00 C ATOM 302 C GLY A 400 5.964 9.404 -5.528 1.00 0.00 C ATOM 303 O GLY A 400 6.066 9.550 -4.311 1.00 0.00 O ATOM 0 H GLY A 400 6.995 8.099 -8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.922 8.643 -5.978 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.730 10.356 -6.296 1.00 0.00 H new ATOM 307 N ALA A 401 4.778 9.234 -6.126 1.00 0.00 N ATOM 308 CA ALA A 401 3.487 9.210 -5.424 1.00 0.00 C ATOM 309 C ALA A 401 2.970 7.794 -5.086 1.00 0.00 C ATOM 310 O ALA A 401 1.886 7.656 -4.521 1.00 0.00 O ATOM 311 CB ALA A 401 2.472 9.998 -6.258 1.00 0.00 C ATOM 0 H ALA A 401 4.687 9.106 -7.134 1.00 0.00 H new ATOM 0 HA ALA A 401 3.631 9.678 -4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 401 1.505 9.993 -5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 401 2.816 11.026 -6.373 1.00 0.00 H new ATOM 0 HB3 ALA A 401 2.372 9.537 -7.240 1.00 0.00 H new ATOM 317 N ASN A 402 3.726 6.746 -5.434 1.00 0.00 N ATOM 318 CA ASN A 402 3.284 5.347 -5.390 1.00 0.00 C ATOM 319 C ASN A 402 4.122 4.528 -4.393 1.00 0.00 C ATOM 320 O ASN A 402 5.350 4.481 -4.494 1.00 0.00 O ATOM 321 CB ASN A 402 3.341 4.781 -6.818 1.00 0.00 C ATOM 322 CG ASN A 402 2.569 5.660 -7.802 1.00 0.00 C ATOM 323 OD1 ASN A 402 1.469 6.124 -7.523 1.00 0.00 O ATOM 324 ND2 ASN A 402 3.129 5.939 -8.963 1.00 0.00 N ATOM 0 H ASN A 402 4.686 6.850 -5.762 1.00 0.00 H new ATOM 0 HA ASN A 402 2.258 5.286 -5.028 1.00 0.00 H new ATOM 0 HB2 ASN A 402 4.380 4.702 -7.138 1.00 0.00 H new ATOM 0 HB3 ASN A 402 2.927 3.773 -6.827 1.00 0.00 H new ATOM 0 HD21 ASN A 402 2.647 6.541 -9.630 1.00 0.00 H new ATOM 0 HD22 ASN A 402 4.044 5.552 -9.194 1.00 0.00 H new ATOM 331 N LEU A 403 3.446 3.898 -3.425 1.00 0.00 N ATOM 332 CA LEU A 403 4.017 3.260 -2.235 1.00 0.00 C ATOM 333 C LEU A 403 3.626 1.783 -2.116 1.00 0.00 C ATOM 334 O LEU A 403 2.467 1.419 -2.326 1.00 0.00 O ATOM 335 CB LEU A 403 3.495 3.959 -0.957 1.00 0.00 C ATOM 336 CG LEU A 403 3.510 5.496 -0.900 1.00 0.00 C ATOM 337 CD1 LEU A 403 3.085 5.945 0.503 1.00 0.00 C ATOM 338 CD2 LEU A 403 4.892 6.060 -1.230 1.00 0.00 C ATOM 0 H LEU A 403 2.430 3.816 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 403 5.099 3.345 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 403 2.468 3.632 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 403 4.082 3.591 -0.115 1.00 0.00 H new ATOM 0 HG LEU A 403 2.814 5.877 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 403 3.092 7.034 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 403 2.080 5.578 0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 403 3.780 5.542 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 403 4.862 7.148 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 403 5.620 5.683 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 403 5.181 5.751 -2.235 1.00 0.00 H new ATOM 350 N PHE A 404 4.576 0.965 -1.670 1.00 0.00 N ATOM 351 CA PHE A 404 4.380 -0.416 -1.238 1.00 0.00 C ATOM 352 C PHE A 404 4.613 -0.489 0.277 1.00 0.00 C ATOM 353 O PHE A 404 5.556 0.101 0.807 1.00 0.00 O ATOM 354 CB PHE A 404 5.314 -1.354 -2.008 1.00 0.00 C ATOM 355 CG PHE A 404 4.848 -1.645 -3.422 1.00 0.00 C ATOM 356 CD1 PHE A 404 5.066 -0.705 -4.447 1.00 0.00 C ATOM 357 CD2 PHE A 404 4.162 -2.842 -3.706 1.00 0.00 C ATOM 358 CE1 PHE A 404 4.601 -0.963 -5.748 1.00 0.00 C ATOM 359 CE2 PHE A 404 3.705 -3.102 -5.010 1.00 0.00 C ATOM 360 CZ PHE A 404 3.926 -2.163 -6.033 1.00 0.00 C ATOM 0 H PHE A 404 5.549 1.261 -1.597 1.00 0.00 H new ATOM 0 HA PHE A 404 3.362 -0.741 -1.452 1.00 0.00 H new ATOM 0 HB2 PHE A 404 6.310 -0.912 -2.046 1.00 0.00 H new ATOM 0 HB3 PHE A 404 5.403 -2.294 -1.463 1.00 0.00 H new ATOM 0 HD1 PHE A 404 5.591 0.215 -4.234 1.00 0.00 H new ATOM 0 HD2 PHE A 404 3.987 -3.562 -2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 404 4.763 -0.237 -6.531 1.00 0.00 H new ATOM 0 HE2 PHE A 404 3.184 -4.023 -5.226 1.00 0.00 H new ATOM 0 HZ PHE A 404 3.578 -2.363 -7.036 1.00 0.00 H new ATOM 370 N ILE A 405 3.707 -1.176 0.972 1.00 0.00 N ATOM 371 CA ILE A 405 3.631 -1.258 2.436 1.00 0.00 C ATOM 372 C ILE A 405 3.806 -2.726 2.833 1.00 0.00 C ATOM 373 O ILE A 405 3.194 -3.609 2.234 1.00 0.00 O ATOM 374 CB ILE A 405 2.279 -0.694 2.958 1.00 0.00 C ATOM 375 CG1 ILE A 405 2.021 0.811 2.707 1.00 0.00 C ATOM 376 CG2 ILE A 405 2.196 -0.879 4.487 1.00 0.00 C ATOM 377 CD1 ILE A 405 1.851 1.281 1.260 1.00 0.00 C ATOM 0 H ILE A 405 2.973 -1.715 0.513 1.00 0.00 H new ATOM 0 HA ILE A 405 4.418 -0.653 2.886 1.00 0.00 H new ATOM 0 HB ILE A 405 1.535 -1.256 2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 405 1.123 1.092 3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 405 2.849 1.369 3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 405 1.248 -0.483 4.850 1.00 0.00 H new ATOM 0 HG22 ILE A 405 2.263 -1.940 4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 405 3.018 -0.345 4.963 1.00 0.00 H new ATOM 0 HD11 ILE A 405 1.677 2.357 1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 405 2.754 1.051 0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 405 1.000 0.770 0.809 1.00 0.00 H new ATOM 389 N TYR A 406 4.616 -2.988 3.854 1.00 0.00 N ATOM 390 CA TYR A 406 4.957 -4.330 4.338 1.00 0.00 C ATOM 391 C TYR A 406 4.808 -4.445 5.867 1.00 0.00 C ATOM 392 O TYR A 406 4.764 -3.443 6.585 1.00 0.00 O ATOM 393 CB TYR A 406 6.391 -4.695 3.913 1.00 0.00 C ATOM 394 CG TYR A 406 6.809 -4.268 2.514 1.00 0.00 C ATOM 395 CD1 TYR A 406 6.508 -5.071 1.397 1.00 0.00 C ATOM 396 CD2 TYR A 406 7.521 -3.064 2.338 1.00 0.00 C ATOM 397 CE1 TYR A 406 6.925 -4.678 0.109 1.00 0.00 C ATOM 398 CE2 TYR A 406 7.941 -2.666 1.056 1.00 0.00 C ATOM 399 CZ TYR A 406 7.651 -3.477 -0.064 1.00 0.00 C ATOM 400 OH TYR A 406 8.078 -3.103 -1.303 1.00 0.00 O ATOM 0 H TYR A 406 5.071 -2.248 4.389 1.00 0.00 H new ATOM 0 HA TYR A 406 4.256 -5.033 3.888 1.00 0.00 H new ATOM 0 HB2 TYR A 406 7.083 -4.250 4.628 1.00 0.00 H new ATOM 0 HB3 TYR A 406 6.506 -5.776 3.989 1.00 0.00 H new ATOM 0 HD1 TYR A 406 5.956 -5.990 1.527 1.00 0.00 H new ATOM 0 HD2 TYR A 406 7.745 -2.443 3.193 1.00 0.00 H new ATOM 0 HE1 TYR A 406 6.690 -5.295 -0.746 1.00 0.00 H new ATOM 0 HE2 TYR A 406 8.485 -1.742 0.928 1.00 0.00 H new ATOM 0 HH TYR A 406 8.560 -2.252 -1.240 1.00 0.00 H new ATOM 410 N HIS A 407 4.737 -5.684 6.361 1.00 0.00 N ATOM 411 CA HIS A 407 4.577 -6.053 7.775 1.00 0.00 C ATOM 412 C HIS A 407 3.242 -5.565 8.387 1.00 0.00 C ATOM 413 O HIS A 407 3.187 -5.162 9.549 1.00 0.00 O ATOM 414 CB HIS A 407 5.827 -5.649 8.575 1.00 0.00 C ATOM 415 CG HIS A 407 7.098 -6.232 8.021 1.00 0.00 C ATOM 416 ND1 HIS A 407 7.431 -7.589 8.012 1.00 0.00 N ATOM 417 CD2 HIS A 407 8.083 -5.527 7.402 1.00 0.00 C ATOM 418 CE1 HIS A 407 8.617 -7.659 7.381 1.00 0.00 C ATOM 419 NE2 HIS A 407 9.033 -6.438 7.003 1.00 0.00 N ATOM 0 H HIS A 407 4.792 -6.502 5.755 1.00 0.00 H new ATOM 0 HA HIS A 407 4.500 -7.139 7.836 1.00 0.00 H new ATOM 0 HB2 HIS A 407 5.908 -4.562 8.586 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.708 -5.970 9.610 1.00 0.00 H new ATOM 0 HD2 HIS A 407 8.113 -4.458 7.253 1.00 0.00 H new ATOM 0 HE1 HIS A 407 9.162 -8.574 7.202 1.00 0.00 H new ATOM 0 HE2 HIS A 407 9.899 -6.225 6.508 1.00 0.00 H new ATOM 427 N LEU A 408 2.157 -5.596 7.604 1.00 0.00 N ATOM 428 CA LEU A 408 0.793 -5.261 8.045 1.00 0.00 C ATOM 429 C LEU A 408 0.214 -6.327 9.007 1.00 0.00 C ATOM 430 O LEU A 408 0.716 -7.457 9.042 1.00 0.00 O ATOM 431 CB LEU A 408 -0.117 -5.092 6.804 1.00 0.00 C ATOM 432 CG LEU A 408 0.126 -3.802 5.996 1.00 0.00 C ATOM 433 CD1 LEU A 408 -0.526 -3.914 4.611 1.00 0.00 C ATOM 434 CD2 LEU A 408 -0.451 -2.575 6.719 1.00 0.00 C ATOM 0 H LEU A 408 2.202 -5.861 6.620 1.00 0.00 H new ATOM 0 HA LEU A 408 0.834 -4.325 8.602 1.00 0.00 H new ATOM 0 HB2 LEU A 408 0.027 -5.949 6.146 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -1.157 -5.110 7.128 1.00 0.00 H new ATOM 0 HG LEU A 408 1.204 -3.677 5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.348 -2.997 4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -0.095 -4.758 4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -1.599 -4.066 4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -0.264 -1.681 6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -1.525 -2.703 6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 408 0.026 -2.469 7.693 1.00 0.00 H new ATOM 446 N PRO A 409 -0.841 -5.997 9.781 1.00 0.00 N ATOM 447 CA PRO A 409 -1.622 -6.976 10.540 1.00 0.00 C ATOM 448 C PRO A 409 -2.278 -8.007 9.605 1.00 0.00 C ATOM 449 O PRO A 409 -2.539 -7.713 8.438 1.00 0.00 O ATOM 450 CB PRO A 409 -2.669 -6.162 11.313 1.00 0.00 C ATOM 451 CG PRO A 409 -2.077 -4.756 11.371 1.00 0.00 C ATOM 452 CD PRO A 409 -1.327 -4.650 10.050 1.00 0.00 C ATOM 0 HA PRO A 409 -0.994 -7.553 11.219 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -3.633 -6.168 10.805 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -2.832 -6.568 12.311 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -2.852 -3.994 11.458 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -1.411 -4.633 12.225 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -1.982 -4.300 9.252 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -0.503 -3.940 10.120 1.00 0.00 H new ATOM 460 N GLN A 410 -2.562 -9.216 10.105 1.00 0.00 N ATOM 461 CA GLN A 410 -3.147 -10.298 9.295 1.00 0.00 C ATOM 462 C GLN A 410 -4.649 -10.103 9.006 1.00 0.00 C ATOM 463 O GLN A 410 -5.175 -10.677 8.055 1.00 0.00 O ATOM 464 CB GLN A 410 -2.864 -11.668 9.939 1.00 0.00 C ATOM 465 CG GLN A 410 -3.574 -11.901 11.286 1.00 0.00 C ATOM 466 CD GLN A 410 -3.319 -13.305 11.845 1.00 0.00 C ATOM 467 OE1 GLN A 410 -2.197 -13.794 11.907 1.00 0.00 O ATOM 468 NE2 GLN A 410 -4.344 -14.014 12.279 1.00 0.00 N ATOM 0 H GLN A 410 -2.395 -9.474 11.078 1.00 0.00 H new ATOM 0 HA GLN A 410 -2.657 -10.263 8.322 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -3.166 -12.451 9.244 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -1.789 -11.770 10.087 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -3.233 -11.158 12.007 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -4.646 -11.753 11.159 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -5.287 -13.626 12.237 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -4.194 -14.950 12.657 1.00 0.00 H new ATOM 477 N GLU A 411 -5.336 -9.278 9.798 1.00 0.00 N ATOM 478 CA GLU A 411 -6.767 -8.971 9.676 1.00 0.00 C ATOM 479 C GLU A 411 -7.071 -7.672 8.905 1.00 0.00 C ATOM 480 O GLU A 411 -8.233 -7.361 8.633 1.00 0.00 O ATOM 481 CB GLU A 411 -7.398 -8.947 11.073 1.00 0.00 C ATOM 482 CG GLU A 411 -6.841 -7.875 12.021 1.00 0.00 C ATOM 483 CD GLU A 411 -5.717 -8.419 12.917 1.00 0.00 C ATOM 484 OE1 GLU A 411 -4.590 -8.617 12.410 1.00 0.00 O ATOM 485 OE2 GLU A 411 -5.961 -8.653 14.126 1.00 0.00 O ATOM 0 H GLU A 411 -4.895 -8.784 10.574 1.00 0.00 H new ATOM 0 HA GLU A 411 -7.213 -9.763 9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -8.472 -8.794 10.967 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -7.260 -9.925 11.534 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -6.463 -7.036 11.436 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -7.647 -7.491 12.646 1.00 0.00 H new ATOM 492 N PHE A 412 -6.029 -6.915 8.556 1.00 0.00 N ATOM 493 CA PHE A 412 -6.123 -5.635 7.844 1.00 0.00 C ATOM 494 C PHE A 412 -6.640 -5.817 6.406 1.00 0.00 C ATOM 495 O PHE A 412 -6.098 -6.622 5.645 1.00 0.00 O ATOM 496 CB PHE A 412 -4.752 -4.924 7.867 1.00 0.00 C ATOM 497 CG PHE A 412 -4.785 -3.531 8.465 1.00 0.00 C ATOM 498 CD1 PHE A 412 -5.164 -3.360 9.810 1.00 0.00 C ATOM 499 CD2 PHE A 412 -4.426 -2.409 7.692 1.00 0.00 C ATOM 500 CE1 PHE A 412 -5.202 -2.074 10.377 1.00 0.00 C ATOM 501 CE2 PHE A 412 -4.458 -1.123 8.262 1.00 0.00 C ATOM 502 CZ PHE A 412 -4.857 -0.955 9.600 1.00 0.00 C ATOM 0 H PHE A 412 -5.067 -7.182 8.766 1.00 0.00 H new ATOM 0 HA PHE A 412 -6.851 -5.008 8.358 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -4.048 -5.534 8.433 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -4.371 -4.861 6.848 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -5.427 -4.220 10.408 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -4.126 -2.536 6.662 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -5.496 -1.946 11.408 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -4.176 -0.264 7.671 1.00 0.00 H new ATOM 0 HZ PHE A 412 -4.898 0.035 10.031 1.00 0.00 H new ATOM 512 N GLY A 413 -7.676 -5.062 6.027 1.00 0.00 N ATOM 513 CA GLY A 413 -8.245 -5.032 4.673 1.00 0.00 C ATOM 514 C GLY A 413 -7.921 -3.752 3.904 1.00 0.00 C ATOM 515 O GLY A 413 -7.231 -2.857 4.389 1.00 0.00 O ATOM 0 H GLY A 413 -8.157 -4.436 6.672 1.00 0.00 H new ATOM 0 HA2 GLY A 413 -7.871 -5.888 4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -9.327 -5.142 4.740 1.00 0.00 H new ATOM 519 N ASP A 414 -8.457 -3.655 2.689 1.00 0.00 N ATOM 520 CA ASP A 414 -8.208 -2.538 1.764 1.00 0.00 C ATOM 521 C ASP A 414 -8.762 -1.201 2.285 1.00 0.00 C ATOM 522 O ASP A 414 -8.159 -0.151 2.073 1.00 0.00 O ATOM 523 CB ASP A 414 -8.838 -2.855 0.401 1.00 0.00 C ATOM 524 CG ASP A 414 -8.503 -4.261 -0.111 1.00 0.00 C ATOM 525 OD1 ASP A 414 -7.371 -4.454 -0.608 1.00 0.00 O ATOM 526 OD2 ASP A 414 -9.364 -5.162 0.012 1.00 0.00 O ATOM 0 H ASP A 414 -9.088 -4.360 2.308 1.00 0.00 H new ATOM 0 HA ASP A 414 -7.127 -2.427 1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -9.920 -2.752 0.476 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -8.498 -2.120 -0.328 1.00 0.00 H new ATOM 531 N GLN A 415 -9.893 -1.251 2.996 1.00 0.00 N ATOM 532 CA GLN A 415 -10.532 -0.087 3.620 1.00 0.00 C ATOM 533 C GLN A 415 -9.792 0.352 4.894 1.00 0.00 C ATOM 534 O GLN A 415 -9.803 1.538 5.229 1.00 0.00 O ATOM 535 CB GLN A 415 -12.004 -0.417 3.934 1.00 0.00 C ATOM 536 CG GLN A 415 -12.855 -0.638 2.667 1.00 0.00 C ATOM 537 CD GLN A 415 -14.283 -1.117 2.964 1.00 0.00 C ATOM 538 OE1 GLN A 415 -14.544 -1.882 3.885 1.00 0.00 O ATOM 539 NE2 GLN A 415 -15.269 -0.710 2.190 1.00 0.00 N ATOM 0 H GLN A 415 -10.401 -2.121 3.157 1.00 0.00 H new ATOM 0 HA GLN A 415 -10.488 0.747 2.919 1.00 0.00 H new ATOM 0 HB2 GLN A 415 -12.046 -1.313 4.554 1.00 0.00 H new ATOM 0 HB3 GLN A 415 -12.436 0.395 4.518 1.00 0.00 H new ATOM 0 HG2 GLN A 415 -12.903 0.294 2.104 1.00 0.00 H new ATOM 0 HG3 GLN A 415 -12.360 -1.371 2.030 1.00 0.00 H new ATOM 0 HE21 GLN A 415 -15.080 -0.073 1.416 1.00 0.00 H new ATOM 0 HE22 GLN A 415 -16.221 -1.032 2.365 1.00 0.00 H new ATOM 548 N ASP A 416 -9.107 -0.571 5.578 1.00 0.00 N ATOM 549 CA ASP A 416 -8.262 -0.269 6.738 1.00 0.00 C ATOM 550 C ASP A 416 -6.942 0.376 6.295 1.00 0.00 C ATOM 551 O ASP A 416 -6.523 1.376 6.878 1.00 0.00 O ATOM 552 CB ASP A 416 -7.985 -1.541 7.554 1.00 0.00 C ATOM 553 CG ASP A 416 -9.260 -2.232 8.053 1.00 0.00 C ATOM 554 OD1 ASP A 416 -9.947 -1.669 8.938 1.00 0.00 O ATOM 555 OD2 ASP A 416 -9.546 -3.354 7.572 1.00 0.00 O ATOM 0 H ASP A 416 -9.124 -1.562 5.338 1.00 0.00 H new ATOM 0 HA ASP A 416 -8.798 0.439 7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -7.417 -2.241 6.941 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -7.360 -1.286 8.410 1.00 0.00 H new ATOM 560 N LEU A 417 -6.324 -0.137 5.221 1.00 0.00 N ATOM 561 CA LEU A 417 -5.140 0.467 4.610 1.00 0.00 C ATOM 562 C LEU A 417 -5.450 1.849 4.017 1.00 0.00 C ATOM 563 O LEU A 417 -4.637 2.760 4.152 1.00 0.00 O ATOM 564 CB LEU A 417 -4.556 -0.499 3.561 1.00 0.00 C ATOM 565 CG LEU A 417 -3.166 -0.071 3.042 1.00 0.00 C ATOM 566 CD1 LEU A 417 -2.104 -0.135 4.149 1.00 0.00 C ATOM 567 CD2 LEU A 417 -2.738 -0.976 1.881 1.00 0.00 C ATOM 0 H LEU A 417 -6.637 -0.987 4.752 1.00 0.00 H new ATOM 0 HA LEU A 417 -4.388 0.633 5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 417 -4.482 -1.496 3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 417 -5.245 -0.569 2.719 1.00 0.00 H new ATOM 0 HG LEU A 417 -3.246 0.961 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 417 -1.139 0.173 3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 417 -2.387 0.532 4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 417 -2.031 -1.156 4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 417 -1.757 -0.667 1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 417 -2.690 -2.010 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 417 -3.463 -0.896 1.071 1.00 0.00 H new ATOM 579 N LEU A 418 -6.643 2.041 3.436 1.00 0.00 N ATOM 580 CA LEU A 418 -7.108 3.356 2.990 1.00 0.00 C ATOM 581 C LEU A 418 -7.212 4.326 4.176 1.00 0.00 C ATOM 582 O LEU A 418 -6.635 5.407 4.126 1.00 0.00 O ATOM 583 CB LEU A 418 -8.441 3.203 2.225 1.00 0.00 C ATOM 584 CG LEU A 418 -9.015 4.523 1.670 1.00 0.00 C ATOM 585 CD1 LEU A 418 -8.092 5.177 0.632 1.00 0.00 C ATOM 586 CD2 LEU A 418 -10.397 4.291 1.047 1.00 0.00 C ATOM 0 H LEU A 418 -7.309 1.288 3.264 1.00 0.00 H new ATOM 0 HA LEU A 418 -6.382 3.789 2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -8.293 2.509 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -9.178 2.752 2.890 1.00 0.00 H new ATOM 0 HG LEU A 418 -9.100 5.204 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -8.544 6.102 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -7.128 5.398 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -7.948 4.496 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -10.785 5.234 0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -10.313 3.573 0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -11.077 3.902 1.805 1.00 0.00 H new ATOM 598 N GLN A 419 -7.889 3.948 5.264 1.00 0.00 N ATOM 599 CA GLN A 419 -8.053 4.809 6.446 1.00 0.00 C ATOM 600 C GLN A 419 -6.755 5.040 7.233 1.00 0.00 C ATOM 601 O GLN A 419 -6.637 6.052 7.925 1.00 0.00 O ATOM 602 CB GLN A 419 -9.172 4.242 7.331 1.00 0.00 C ATOM 603 CG GLN A 419 -10.531 4.533 6.679 1.00 0.00 C ATOM 604 CD GLN A 419 -11.684 3.778 7.323 1.00 0.00 C ATOM 605 OE1 GLN A 419 -12.404 4.274 8.183 1.00 0.00 O ATOM 606 NE2 GLN A 419 -11.923 2.559 6.897 1.00 0.00 N ATOM 0 H GLN A 419 -8.340 3.037 5.353 1.00 0.00 H new ATOM 0 HA GLN A 419 -8.334 5.801 6.093 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -9.040 3.168 7.460 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -9.129 4.690 8.324 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -10.731 5.603 6.735 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -10.482 4.273 5.622 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -11.327 2.143 6.182 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -12.705 2.029 7.281 1.00 0.00 H new ATOM 615 N MET A 420 -5.755 4.168 7.080 1.00 0.00 N ATOM 616 CA MET A 420 -4.404 4.365 7.613 1.00 0.00 C ATOM 617 C MET A 420 -3.597 5.413 6.823 1.00 0.00 C ATOM 618 O MET A 420 -2.731 6.061 7.411 1.00 0.00 O ATOM 619 CB MET A 420 -3.710 2.992 7.663 1.00 0.00 C ATOM 620 CG MET A 420 -2.258 3.044 8.146 1.00 0.00 C ATOM 621 SD MET A 420 -1.449 1.425 8.194 1.00 0.00 S ATOM 622 CE MET A 420 -1.887 0.934 9.875 1.00 0.00 C ATOM 0 H MET A 420 -5.863 3.289 6.573 1.00 0.00 H new ATOM 0 HA MET A 420 -4.467 4.778 8.620 1.00 0.00 H new ATOM 0 HB2 MET A 420 -4.277 2.334 8.321 1.00 0.00 H new ATOM 0 HB3 MET A 420 -3.735 2.547 6.668 1.00 0.00 H new ATOM 0 HG2 MET A 420 -1.690 3.705 7.491 1.00 0.00 H new ATOM 0 HG3 MET A 420 -2.232 3.483 9.143 1.00 0.00 H new ATOM 0 HE1 MET A 420 -1.743 -0.140 9.989 1.00 0.00 H new ATOM 0 HE2 MET A 420 -1.252 1.463 10.586 1.00 0.00 H new ATOM 0 HE3 MET A 420 -2.931 1.183 10.066 1.00 0.00 H new ATOM 632 N PHE A 421 -3.889 5.620 5.530 1.00 0.00 N ATOM 633 CA PHE A 421 -3.104 6.476 4.626 1.00 0.00 C ATOM 634 C PHE A 421 -3.835 7.750 4.146 1.00 0.00 C ATOM 635 O PHE A 421 -3.176 8.725 3.782 1.00 0.00 O ATOM 636 CB PHE A 421 -2.560 5.619 3.466 1.00 0.00 C ATOM 637 CG PHE A 421 -1.303 4.824 3.810 1.00 0.00 C ATOM 638 CD1 PHE A 421 -1.368 3.708 4.666 1.00 0.00 C ATOM 639 CD2 PHE A 421 -0.048 5.209 3.293 1.00 0.00 C ATOM 640 CE1 PHE A 421 -0.196 3.030 5.048 1.00 0.00 C ATOM 641 CE2 PHE A 421 1.125 4.538 3.679 1.00 0.00 C ATOM 642 CZ PHE A 421 1.054 3.460 4.576 1.00 0.00 C ATOM 0 H PHE A 421 -4.693 5.189 5.074 1.00 0.00 H new ATOM 0 HA PHE A 421 -2.268 6.876 5.200 1.00 0.00 H new ATOM 0 HB2 PHE A 421 -3.338 4.926 3.145 1.00 0.00 H new ATOM 0 HB3 PHE A 421 -2.344 6.270 2.619 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -2.326 3.370 5.033 1.00 0.00 H new ATOM 0 HD2 PHE A 421 0.012 6.029 2.593 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -0.258 2.176 5.706 1.00 0.00 H new ATOM 0 HE2 PHE A 421 2.081 4.851 3.286 1.00 0.00 H new ATOM 0 HZ PHE A 421 1.957 2.964 4.901 1.00 0.00 H new ATOM 652 N MET A 422 -5.169 7.827 4.241 1.00 0.00 N ATOM 653 CA MET A 422 -5.945 9.054 4.006 1.00 0.00 C ATOM 654 C MET A 422 -5.496 10.294 4.822 1.00 0.00 C ATOM 655 O MET A 422 -5.574 11.393 4.265 1.00 0.00 O ATOM 656 CB MET A 422 -7.439 8.770 4.246 1.00 0.00 C ATOM 657 CG MET A 422 -8.116 8.159 3.014 1.00 0.00 C ATOM 658 SD MET A 422 -9.936 8.131 3.031 1.00 0.00 S ATOM 659 CE MET A 422 -10.287 7.076 4.464 1.00 0.00 C ATOM 0 H MET A 422 -5.750 7.026 4.487 1.00 0.00 H new ATOM 0 HA MET A 422 -5.756 9.324 2.967 1.00 0.00 H new ATOM 0 HB2 MET A 422 -7.547 8.091 5.092 1.00 0.00 H new ATOM 0 HB3 MET A 422 -7.945 9.697 4.514 1.00 0.00 H new ATOM 0 HG2 MET A 422 -7.790 8.712 2.133 1.00 0.00 H new ATOM 0 HG3 MET A 422 -7.758 7.136 2.898 1.00 0.00 H new ATOM 0 HE1 MET A 422 -11.357 6.875 4.514 1.00 0.00 H new ATOM 0 HE2 MET A 422 -9.745 6.136 4.365 1.00 0.00 H new ATOM 0 HE3 MET A 422 -9.970 7.583 5.375 1.00 0.00 H new ATOM 669 N PRO A 423 -5.005 10.177 6.079 1.00 0.00 N ATOM 670 CA PRO A 423 -4.529 11.314 6.872 1.00 0.00 C ATOM 671 C PRO A 423 -3.369 12.125 6.269 1.00 0.00 C ATOM 672 O PRO A 423 -3.150 13.255 6.708 1.00 0.00 O ATOM 673 CB PRO A 423 -4.125 10.729 8.230 1.00 0.00 C ATOM 674 CG PRO A 423 -5.049 9.524 8.375 1.00 0.00 C ATOM 675 CD PRO A 423 -5.120 9.007 6.942 1.00 0.00 C ATOM 0 HA PRO A 423 -5.334 12.047 6.927 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.075 10.436 8.247 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.269 11.447 9.037 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.643 8.778 9.059 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -6.030 9.806 8.757 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.317 8.297 6.744 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -6.059 8.483 6.764 1.00 0.00 H new ATOM 683 N PHE A 424 -2.639 11.593 5.277 1.00 0.00 N ATOM 684 CA PHE A 424 -1.464 12.252 4.679 1.00 0.00 C ATOM 685 C PHE A 424 -1.762 12.950 3.340 1.00 0.00 C ATOM 686 O PHE A 424 -0.925 13.705 2.842 1.00 0.00 O ATOM 687 CB PHE A 424 -0.327 11.232 4.543 1.00 0.00 C ATOM 688 CG PHE A 424 -0.118 10.401 5.793 1.00 0.00 C ATOM 689 CD1 PHE A 424 0.273 11.016 6.997 1.00 0.00 C ATOM 690 CD2 PHE A 424 -0.406 9.025 5.773 1.00 0.00 C ATOM 691 CE1 PHE A 424 0.359 10.260 8.178 1.00 0.00 C ATOM 692 CE2 PHE A 424 -0.292 8.264 6.948 1.00 0.00 C ATOM 693 CZ PHE A 424 0.073 8.883 8.154 1.00 0.00 C ATOM 0 H PHE A 424 -2.848 10.685 4.862 1.00 0.00 H new ATOM 0 HA PHE A 424 -1.160 13.054 5.352 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -0.541 10.569 3.705 1.00 0.00 H new ATOM 0 HB3 PHE A 424 0.598 11.758 4.305 1.00 0.00 H new ATOM 0 HD1 PHE A 424 0.507 12.070 7.013 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -0.715 8.552 4.853 1.00 0.00 H new ATOM 0 HE1 PHE A 424 0.645 10.736 9.104 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -0.485 7.202 6.924 1.00 0.00 H new ATOM 0 HZ PHE A 424 0.134 8.302 9.063 1.00 0.00 H new ATOM 703 N GLY A 425 -2.960 12.736 2.781 1.00 0.00 N ATOM 704 CA GLY A 425 -3.484 13.454 1.611 1.00 0.00 C ATOM 705 C GLY A 425 -4.383 12.620 0.698 1.00 0.00 C ATOM 706 O GLY A 425 -4.900 11.572 1.084 1.00 0.00 O ATOM 0 H GLY A 425 -3.611 12.038 3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 425 -4.046 14.322 1.956 1.00 0.00 H new ATOM 0 HA3 GLY A 425 -2.644 13.830 1.026 1.00 0.00 H new ATOM 710 N ASN A 426 -4.591 13.114 -0.525 1.00 0.00 N ATOM 711 CA ASN A 426 -5.520 12.537 -1.503 1.00 0.00 C ATOM 712 C ASN A 426 -5.015 11.190 -2.067 1.00 0.00 C ATOM 713 O ASN A 426 -4.215 11.159 -3.007 1.00 0.00 O ATOM 714 CB ASN A 426 -5.783 13.580 -2.606 1.00 0.00 C ATOM 715 CG ASN A 426 -6.830 13.139 -3.629 1.00 0.00 C ATOM 716 OD1 ASN A 426 -7.554 12.166 -3.448 1.00 0.00 O ATOM 717 ND2 ASN A 426 -6.949 13.855 -4.733 1.00 0.00 N ATOM 0 H ASN A 426 -4.109 13.943 -0.871 1.00 0.00 H new ATOM 0 HA ASN A 426 -6.462 12.300 -1.009 1.00 0.00 H new ATOM 0 HB2 ASN A 426 -6.109 14.511 -2.143 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -4.848 13.792 -3.124 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -7.643 13.598 -5.435 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -6.347 14.664 -4.883 1.00 0.00 H new ATOM 724 N VAL A 427 -5.491 10.082 -1.491 1.00 0.00 N ATOM 725 CA VAL A 427 -5.214 8.707 -1.942 1.00 0.00 C ATOM 726 C VAL A 427 -6.020 8.402 -3.215 1.00 0.00 C ATOM 727 O VAL A 427 -7.237 8.589 -3.251 1.00 0.00 O ATOM 728 CB VAL A 427 -5.516 7.666 -0.833 1.00 0.00 C ATOM 729 CG1 VAL A 427 -5.360 6.220 -1.333 1.00 0.00 C ATOM 730 CG2 VAL A 427 -4.590 7.848 0.381 1.00 0.00 C ATOM 0 H VAL A 427 -6.099 10.114 -0.673 1.00 0.00 H new ATOM 0 HA VAL A 427 -4.150 8.632 -2.168 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.552 7.840 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -5.582 5.528 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -6.050 6.044 -2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -4.337 6.062 -1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -4.831 7.101 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.553 7.727 0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -4.729 8.845 0.798 1.00 0.00 H new ATOM 740 N VAL A 428 -5.328 7.916 -4.245 1.00 0.00 N ATOM 741 CA VAL A 428 -5.870 7.510 -5.553 1.00 0.00 C ATOM 742 C VAL A 428 -6.301 6.035 -5.538 1.00 0.00 C ATOM 743 O VAL A 428 -7.327 5.688 -6.120 1.00 0.00 O ATOM 744 CB VAL A 428 -4.822 7.776 -6.666 1.00 0.00 C ATOM 745 CG1 VAL A 428 -5.130 7.091 -8.009 1.00 0.00 C ATOM 746 CG2 VAL A 428 -4.698 9.290 -6.911 1.00 0.00 C ATOM 0 H VAL A 428 -4.318 7.786 -4.192 1.00 0.00 H new ATOM 0 HA VAL A 428 -6.758 8.107 -5.763 1.00 0.00 H new ATOM 0 HB VAL A 428 -3.891 7.346 -6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -4.347 7.331 -8.728 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -5.172 6.011 -7.865 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -6.089 7.445 -8.386 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -3.961 9.473 -7.693 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -5.664 9.689 -7.222 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -4.381 9.783 -5.992 1.00 0.00 H new ATOM 756 N SER A 429 -5.560 5.174 -4.839 1.00 0.00 N ATOM 757 CA SER A 429 -5.835 3.738 -4.687 1.00 0.00 C ATOM 758 C SER A 429 -5.100 3.168 -3.465 1.00 0.00 C ATOM 759 O SER A 429 -4.039 3.667 -3.088 1.00 0.00 O ATOM 760 CB SER A 429 -5.442 2.981 -5.968 1.00 0.00 C ATOM 761 OG SER A 429 -6.520 2.975 -6.891 1.00 0.00 O ATOM 0 H SER A 429 -4.718 5.466 -4.342 1.00 0.00 H new ATOM 0 HA SER A 429 -6.905 3.606 -4.524 1.00 0.00 H new ATOM 0 HB2 SER A 429 -4.569 3.450 -6.422 1.00 0.00 H new ATOM 0 HB3 SER A 429 -5.161 1.957 -5.721 1.00 0.00 H new ATOM 0 HG SER A 429 -7.000 3.828 -6.839 1.00 0.00 H new ATOM 767 N ALA A 430 -5.667 2.127 -2.847 1.00 0.00 N ATOM 768 CA ALA A 430 -5.148 1.434 -1.669 1.00 0.00 C ATOM 769 C ALA A 430 -5.633 -0.023 -1.672 1.00 0.00 C ATOM 770 O ALA A 430 -6.824 -0.289 -1.841 1.00 0.00 O ATOM 771 CB ALA A 430 -5.604 2.163 -0.397 1.00 0.00 C ATOM 0 H ALA A 430 -6.546 1.726 -3.174 1.00 0.00 H new ATOM 0 HA ALA A 430 -4.058 1.434 -1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 430 -5.215 1.644 0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 430 -5.228 3.186 -0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 430 -6.693 2.178 -0.357 1.00 0.00 H new ATOM 777 N LYS A 431 -4.725 -0.980 -1.483 1.00 0.00 N ATOM 778 CA LYS A 431 -5.019 -2.406 -1.652 1.00 0.00 C ATOM 779 C LYS A 431 -4.122 -3.307 -0.788 1.00 0.00 C ATOM 780 O LYS A 431 -2.938 -3.025 -0.612 1.00 0.00 O ATOM 781 CB LYS A 431 -4.916 -2.741 -3.150 1.00 0.00 C ATOM 782 CG LYS A 431 -5.263 -4.207 -3.452 1.00 0.00 C ATOM 783 CD LYS A 431 -5.602 -4.390 -4.927 1.00 0.00 C ATOM 784 CE LYS A 431 -5.898 -5.864 -5.231 1.00 0.00 C ATOM 785 NZ LYS A 431 -6.291 -6.059 -6.650 1.00 0.00 N ATOM 0 H LYS A 431 -3.762 -0.789 -1.208 1.00 0.00 H new ATOM 0 HA LYS A 431 -6.031 -2.607 -1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -5.586 -2.090 -3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -3.904 -2.532 -3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -4.422 -4.847 -3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -6.108 -4.519 -2.838 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -6.466 -3.778 -5.186 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -4.771 -4.045 -5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -5.017 -6.466 -5.010 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -6.697 -6.218 -4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -6.352 -7.076 -6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -7.216 -5.615 -6.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -5.580 -5.622 -7.270 1.00 0.00 H new ATOM 799 N VAL A 432 -4.676 -4.409 -0.291 1.00 0.00 N ATOM 800 CA VAL A 432 -3.997 -5.456 0.492 1.00 0.00 C ATOM 801 C VAL A 432 -4.110 -6.775 -0.274 1.00 0.00 C ATOM 802 O VAL A 432 -5.180 -7.105 -0.789 1.00 0.00 O ATOM 803 CB VAL A 432 -4.611 -5.622 1.905 1.00 0.00 C ATOM 804 CG1 VAL A 432 -3.868 -6.703 2.713 1.00 0.00 C ATOM 805 CG2 VAL A 432 -4.568 -4.317 2.716 1.00 0.00 C ATOM 0 H VAL A 432 -5.666 -4.614 -0.427 1.00 0.00 H new ATOM 0 HA VAL A 432 -2.955 -5.166 0.627 1.00 0.00 H new ATOM 0 HB VAL A 432 -5.649 -5.913 1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 432 -4.322 -6.796 3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 432 -3.935 -7.658 2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 432 -2.821 -6.421 2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 432 -5.010 -4.484 3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 432 -3.533 -3.995 2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 432 -5.131 -3.544 2.192 1.00 0.00 H new ATOM 815 N PHE A 433 -3.010 -7.525 -0.349 1.00 0.00 N ATOM 816 CA PHE A 433 -2.968 -8.834 -0.997 1.00 0.00 C ATOM 817 C PHE A 433 -3.415 -9.922 -0.006 1.00 0.00 C ATOM 818 O PHE A 433 -2.972 -9.948 1.142 1.00 0.00 O ATOM 819 CB PHE A 433 -1.568 -9.044 -1.592 1.00 0.00 C ATOM 820 CG PHE A 433 -1.235 -8.002 -2.650 1.00 0.00 C ATOM 821 CD1 PHE A 433 -1.702 -8.161 -3.969 1.00 0.00 C ATOM 822 CD2 PHE A 433 -0.525 -6.835 -2.303 1.00 0.00 C ATOM 823 CE1 PHE A 433 -1.458 -7.163 -4.932 1.00 0.00 C ATOM 824 CE2 PHE A 433 -0.279 -5.839 -3.264 1.00 0.00 C ATOM 825 CZ PHE A 433 -0.747 -6.002 -4.579 1.00 0.00 C ATOM 0 H PHE A 433 -2.114 -7.236 0.043 1.00 0.00 H new ATOM 0 HA PHE A 433 -3.671 -8.895 -1.828 1.00 0.00 H new ATOM 0 HB2 PHE A 433 -0.825 -9.001 -0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 433 -1.507 -10.039 -2.032 1.00 0.00 H new ATOM 0 HD1 PHE A 433 -2.249 -9.051 -4.243 1.00 0.00 H new ATOM 0 HD2 PHE A 433 -0.168 -6.705 -1.292 1.00 0.00 H new ATOM 0 HE1 PHE A 433 -1.817 -7.289 -5.943 1.00 0.00 H new ATOM 0 HE2 PHE A 433 0.269 -4.949 -2.992 1.00 0.00 H new ATOM 0 HZ PHE A 433 -0.561 -5.237 -5.318 1.00 0.00 H new ATOM 963 N LYS A 442 -1.739 -11.131 3.488 1.00 0.00 N ATOM 964 CA LYS A 442 -0.363 -11.623 3.342 1.00 0.00 C ATOM 965 C LYS A 442 0.677 -10.760 4.097 1.00 0.00 C ATOM 966 O LYS A 442 1.881 -11.004 3.986 1.00 0.00 O ATOM 967 CB LYS A 442 -0.020 -11.739 1.845 1.00 0.00 C ATOM 968 CG LYS A 442 -0.869 -12.779 1.099 1.00 0.00 C ATOM 969 CD LYS A 442 -0.395 -12.904 -0.355 1.00 0.00 C ATOM 970 CE LYS A 442 -1.216 -13.970 -1.091 1.00 0.00 C ATOM 971 NZ LYS A 442 -0.776 -14.134 -2.501 1.00 0.00 N ATOM 0 HA LYS A 442 -0.312 -12.608 3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 442 -0.155 -10.766 1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.033 -12.000 1.741 1.00 0.00 H new ATOM 0 HG2 LYS A 442 -0.795 -13.745 1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 442 -1.919 -12.487 1.123 1.00 0.00 H new ATOM 0 HD2 LYS A 442 -0.495 -11.944 -0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 442 0.662 -13.168 -0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 442 -1.125 -14.923 -0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 442 -2.270 -13.695 -1.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 -1.356 -14.863 -2.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 -0.887 -13.232 -3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 0.223 -14.422 -2.522 1.00 0.00 H new ATOM 985 N CYS A 443 0.215 -9.731 4.819 1.00 0.00 N ATOM 986 CA CYS A 443 0.983 -8.728 5.568 1.00 0.00 C ATOM 987 C CYS A 443 1.682 -7.700 4.656 1.00 0.00 C ATOM 988 O CYS A 443 2.609 -7.030 5.102 1.00 0.00 O ATOM 989 CB CYS A 443 1.923 -9.383 6.601 1.00 0.00 C ATOM 990 SG CYS A 443 0.962 -10.409 7.755 1.00 0.00 S ATOM 0 H CYS A 443 -0.788 -9.565 4.901 1.00 0.00 H new ATOM 0 HA CYS A 443 0.265 -8.142 6.142 1.00 0.00 H new ATOM 0 HB2 CYS A 443 2.667 -9.995 6.091 1.00 0.00 H new ATOM 0 HB3 CYS A 443 2.465 -8.614 7.151 1.00 0.00 H new ATOM 0 HG CYS A 443 0.509 -9.667 8.721 1.00 0.00 H new ATOM 996 N PHE A 444 1.233 -7.534 3.407 1.00 0.00 N ATOM 997 CA PHE A 444 1.735 -6.504 2.493 1.00 0.00 C ATOM 998 C PHE A 444 0.641 -5.970 1.555 1.00 0.00 C ATOM 999 O PHE A 444 -0.371 -6.628 1.300 1.00 0.00 O ATOM 1000 CB PHE A 444 2.984 -6.998 1.738 1.00 0.00 C ATOM 1001 CG PHE A 444 2.744 -8.064 0.685 1.00 0.00 C ATOM 1002 CD1 PHE A 444 2.438 -7.691 -0.639 1.00 0.00 C ATOM 1003 CD2 PHE A 444 2.862 -9.428 1.011 1.00 0.00 C ATOM 1004 CE1 PHE A 444 2.234 -8.675 -1.623 1.00 0.00 C ATOM 1005 CE2 PHE A 444 2.667 -10.412 0.024 1.00 0.00 C ATOM 1006 CZ PHE A 444 2.344 -10.036 -1.292 1.00 0.00 C ATOM 0 H PHE A 444 0.503 -8.118 2.999 1.00 0.00 H new ATOM 0 HA PHE A 444 2.043 -5.650 3.096 1.00 0.00 H new ATOM 0 HB2 PHE A 444 3.457 -6.141 1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 444 3.695 -7.388 2.467 1.00 0.00 H new ATOM 0 HD1 PHE A 444 2.360 -6.646 -0.899 1.00 0.00 H new ATOM 0 HD2 PHE A 444 3.103 -9.721 2.022 1.00 0.00 H new ATOM 0 HE1 PHE A 444 1.992 -8.384 -2.635 1.00 0.00 H new ATOM 0 HE2 PHE A 444 2.766 -11.457 0.278 1.00 0.00 H new ATOM 0 HZ PHE A 444 2.181 -10.792 -2.046 1.00 0.00 H new ATOM 1016 N GLY A 445 0.852 -4.742 1.075 1.00 0.00 N ATOM 1017 CA GLY A 445 -0.105 -3.942 0.312 1.00 0.00 C ATOM 1018 C GLY A 445 0.542 -2.815 -0.495 1.00 0.00 C ATOM 1019 O GLY A 445 1.766 -2.688 -0.567 1.00 0.00 O ATOM 0 H GLY A 445 1.738 -4.257 1.215 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -0.652 -4.596 -0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -0.835 -3.513 0.998 1.00 0.00 H new ATOM 1023 N PHE A 446 -0.304 -1.988 -1.102 1.00 0.00 N ATOM 1024 CA PHE A 446 0.050 -0.889 -1.999 1.00 0.00 C ATOM 1025 C PHE A 446 -0.864 0.319 -1.742 1.00 0.00 C ATOM 1026 O PHE A 446 -2.044 0.139 -1.445 1.00 0.00 O ATOM 1027 CB PHE A 446 -0.079 -1.387 -3.446 1.00 0.00 C ATOM 1028 CG PHE A 446 0.109 -0.309 -4.497 1.00 0.00 C ATOM 1029 CD1 PHE A 446 1.404 0.079 -4.881 1.00 0.00 C ATOM 1030 CD2 PHE A 446 -1.008 0.328 -5.073 1.00 0.00 C ATOM 1031 CE1 PHE A 446 1.589 1.088 -5.843 1.00 0.00 C ATOM 1032 CE2 PHE A 446 -0.825 1.339 -6.032 1.00 0.00 C ATOM 1033 CZ PHE A 446 0.473 1.715 -6.424 1.00 0.00 C ATOM 0 H PHE A 446 -1.313 -2.070 -0.975 1.00 0.00 H new ATOM 0 HA PHE A 446 1.076 -0.566 -1.819 1.00 0.00 H new ATOM 0 HB2 PHE A 446 0.656 -2.174 -3.614 1.00 0.00 H new ATOM 0 HB3 PHE A 446 -1.063 -1.837 -3.576 1.00 0.00 H new ATOM 0 HD1 PHE A 446 2.262 -0.401 -4.435 1.00 0.00 H new ATOM 0 HD2 PHE A 446 -2.006 0.039 -4.777 1.00 0.00 H new ATOM 0 HE1 PHE A 446 2.587 1.381 -6.135 1.00 0.00 H new ATOM 0 HE2 PHE A 446 -1.683 1.828 -6.469 1.00 0.00 H new ATOM 0 HZ PHE A 446 0.612 2.484 -7.170 1.00 0.00 H new ATOM 1043 N VAL A 447 -0.334 1.536 -1.884 1.00 0.00 N ATOM 1044 CA VAL A 447 -1.077 2.806 -1.764 1.00 0.00 C ATOM 1045 C VAL A 447 -0.499 3.825 -2.750 1.00 0.00 C ATOM 1046 O VAL A 447 0.713 3.926 -2.888 1.00 0.00 O ATOM 1047 CB VAL A 447 -1.031 3.393 -0.329 1.00 0.00 C ATOM 1048 CG1 VAL A 447 -1.789 4.730 -0.227 1.00 0.00 C ATOM 1049 CG2 VAL A 447 -1.632 2.442 0.721 1.00 0.00 C ATOM 0 H VAL A 447 0.655 1.676 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 447 -2.122 2.595 -1.993 1.00 0.00 H new ATOM 0 HB VAL A 447 0.029 3.542 -0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 447 -1.731 5.104 0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 447 -1.340 5.455 -0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 447 -2.834 4.578 -0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 447 -1.573 2.904 1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 447 -2.675 2.242 0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 447 -1.074 1.506 0.726 1.00 0.00 H new ATOM 1059 N SER A 448 -1.342 4.608 -3.415 1.00 0.00 N ATOM 1060 CA SER A 448 -0.930 5.658 -4.357 1.00 0.00 C ATOM 1061 C SER A 448 -1.677 6.978 -4.122 1.00 0.00 C ATOM 1062 O SER A 448 -2.832 6.987 -3.697 1.00 0.00 O ATOM 1063 CB SER A 448 -1.145 5.174 -5.797 1.00 0.00 C ATOM 1064 OG SER A 448 -2.498 4.811 -6.038 1.00 0.00 O ATOM 0 H SER A 448 -2.354 4.533 -3.316 1.00 0.00 H new ATOM 0 HA SER A 448 0.128 5.856 -4.188 1.00 0.00 H new ATOM 0 HB2 SER A 448 -0.851 5.960 -6.492 1.00 0.00 H new ATOM 0 HB3 SER A 448 -0.499 4.318 -5.992 1.00 0.00 H new ATOM 0 HG SER A 448 -2.534 4.129 -6.741 1.00 0.00 H new ATOM 1070 N TYR A 449 -1.025 8.107 -4.410 1.00 0.00 N ATOM 1071 CA TYR A 449 -1.538 9.464 -4.171 1.00 0.00 C ATOM 1072 C TYR A 449 -1.623 10.315 -5.446 1.00 0.00 C ATOM 1073 O TYR A 449 -0.977 10.036 -6.454 1.00 0.00 O ATOM 1074 CB TYR A 449 -0.641 10.182 -3.152 1.00 0.00 C ATOM 1075 CG TYR A 449 -0.739 9.665 -1.736 1.00 0.00 C ATOM 1076 CD1 TYR A 449 0.024 8.554 -1.330 1.00 0.00 C ATOM 1077 CD2 TYR A 449 -1.601 10.305 -0.823 1.00 0.00 C ATOM 1078 CE1 TYR A 449 -0.043 8.109 0.001 1.00 0.00 C ATOM 1079 CE2 TYR A 449 -1.683 9.854 0.506 1.00 0.00 C ATOM 1080 CZ TYR A 449 -0.894 8.761 0.919 1.00 0.00 C ATOM 1081 OH TYR A 449 -0.961 8.314 2.195 1.00 0.00 O ATOM 0 H TYR A 449 -0.095 8.105 -4.830 1.00 0.00 H new ATOM 0 HA TYR A 449 -2.553 9.350 -3.790 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.395 10.100 -3.481 1.00 0.00 H new ATOM 0 HB3 TYR A 449 -0.893 11.243 -3.153 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.659 8.045 -2.040 1.00 0.00 H new ATOM 0 HD2 TYR A 449 -2.200 11.144 -1.145 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.556 7.269 0.321 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -2.346 10.341 1.206 1.00 0.00 H new ATOM 0 HH TYR A 449 -1.819 8.576 2.589 1.00 0.00 H new ATOM 1091 N ASP A 450 -2.386 11.407 -5.367 1.00 0.00 N ATOM 1092 CA ASP A 450 -2.488 12.423 -6.422 1.00 0.00 C ATOM 1093 C ASP A 450 -1.201 13.266 -6.578 1.00 0.00 C ATOM 1094 O ASP A 450 -0.992 13.873 -7.628 1.00 0.00 O ATOM 1095 CB ASP A 450 -3.704 13.305 -6.104 1.00 0.00 C ATOM 1096 CG ASP A 450 -4.036 14.316 -7.214 1.00 0.00 C ATOM 1097 OD1 ASP A 450 -4.319 13.885 -8.358 1.00 0.00 O ATOM 1098 OD2 ASP A 450 -4.067 15.535 -6.922 1.00 0.00 O ATOM 0 H ASP A 450 -2.963 11.616 -4.552 1.00 0.00 H new ATOM 0 HA ASP A 450 -2.616 11.925 -7.383 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -4.571 12.667 -5.934 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -3.518 13.845 -5.176 1.00 0.00 H new ATOM 1103 N ASN A 451 -0.319 13.270 -5.565 1.00 0.00 N ATOM 1104 CA ASN A 451 0.943 14.024 -5.541 1.00 0.00 C ATOM 1105 C ASN A 451 2.063 13.266 -4.785 1.00 0.00 C ATOM 1106 O ASN A 451 1.762 12.535 -3.833 1.00 0.00 O ATOM 1107 CB ASN A 451 0.736 15.399 -4.875 1.00 0.00 C ATOM 1108 CG ASN A 451 -0.353 16.245 -5.527 1.00 0.00 C ATOM 1109 OD1 ASN A 451 -0.162 16.830 -6.588 1.00 0.00 O ATOM 1110 ND2 ASN A 451 -1.510 16.349 -4.898 1.00 0.00 N ATOM 0 H ASN A 451 -0.471 12.730 -4.713 1.00 0.00 H new ATOM 0 HA ASN A 451 1.253 14.151 -6.578 1.00 0.00 H new ATOM 0 HB2 ASN A 451 0.486 15.249 -3.825 1.00 0.00 H new ATOM 0 HB3 ASN A 451 1.676 15.950 -4.903 1.00 0.00 H new ATOM 0 HD21 ASN A 451 -2.256 16.920 -5.294 1.00 0.00 H new ATOM 0 HD22 ASN A 451 -1.657 15.858 -4.016 1.00 0.00 H new ATOM 1117 N PRO A 452 3.354 13.482 -5.129 1.00 0.00 N ATOM 1118 CA PRO A 452 4.496 12.879 -4.434 1.00 0.00 C ATOM 1119 C PRO A 452 4.651 13.340 -2.978 1.00 0.00 C ATOM 1120 O PRO A 452 5.152 12.592 -2.149 1.00 0.00 O ATOM 1121 CB PRO A 452 5.747 13.277 -5.229 1.00 0.00 C ATOM 1122 CG PRO A 452 5.219 13.780 -6.569 1.00 0.00 C ATOM 1123 CD PRO A 452 3.825 14.299 -6.240 1.00 0.00 C ATOM 0 HA PRO A 452 4.343 11.801 -4.386 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.313 14.052 -4.712 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.417 12.428 -5.362 1.00 0.00 H new ATOM 0 HG2 PRO A 452 5.852 14.567 -6.978 1.00 0.00 H new ATOM 0 HG3 PRO A 452 5.184 12.981 -7.310 1.00 0.00 H new ATOM 0 HD2 PRO A 452 3.854 15.354 -5.966 1.00 0.00 H new ATOM 0 HD3 PRO A 452 3.161 14.211 -7.100 1.00 0.00 H new ATOM 1131 N VAL A 453 4.222 14.562 -2.658 1.00 0.00 N ATOM 1132 CA VAL A 453 4.398 15.169 -1.323 1.00 0.00 C ATOM 1133 C VAL A 453 3.466 14.512 -0.295 1.00 0.00 C ATOM 1134 O VAL A 453 3.901 14.188 0.807 1.00 0.00 O ATOM 1135 CB VAL A 453 4.196 16.705 -1.365 1.00 0.00 C ATOM 1136 CG1 VAL A 453 4.390 17.355 0.016 1.00 0.00 C ATOM 1137 CG2 VAL A 453 5.173 17.358 -2.361 1.00 0.00 C ATOM 0 H VAL A 453 3.737 15.169 -3.319 1.00 0.00 H new ATOM 0 HA VAL A 453 5.426 14.986 -1.009 1.00 0.00 H new ATOM 0 HB VAL A 453 3.168 16.872 -1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 453 4.238 18.431 -0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 453 3.669 16.938 0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 453 5.401 17.157 0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 453 5.013 18.436 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 453 6.198 17.147 -2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 453 5.000 16.954 -3.358 1.00 0.00 H new ATOM 1147 N SER A 454 2.215 14.226 -0.674 1.00 0.00 N ATOM 1148 CA SER A 454 1.260 13.470 0.153 1.00 0.00 C ATOM 1149 C SER A 454 1.752 12.042 0.437 1.00 0.00 C ATOM 1150 O SER A 454 1.543 11.497 1.521 1.00 0.00 O ATOM 1151 CB SER A 454 -0.091 13.392 -0.573 1.00 0.00 C ATOM 1152 OG SER A 454 -0.521 14.671 -1.026 1.00 0.00 O ATOM 0 H SER A 454 1.830 14.515 -1.573 1.00 0.00 H new ATOM 0 HA SER A 454 1.160 13.992 1.104 1.00 0.00 H new ATOM 0 HB2 SER A 454 -0.009 12.714 -1.423 1.00 0.00 H new ATOM 0 HB3 SER A 454 -0.841 12.973 0.098 1.00 0.00 H new ATOM 0 HG SER A 454 -1.383 14.583 -1.485 1.00 0.00 H new ATOM 1158 N ALA A 455 2.469 11.459 -0.530 1.00 0.00 N ATOM 1159 CA ALA A 455 3.058 10.130 -0.447 1.00 0.00 C ATOM 1160 C ALA A 455 4.300 10.103 0.456 1.00 0.00 C ATOM 1161 O ALA A 455 4.379 9.290 1.375 1.00 0.00 O ATOM 1162 CB ALA A 455 3.355 9.699 -1.885 1.00 0.00 C ATOM 0 H ALA A 455 2.658 11.920 -1.420 1.00 0.00 H new ATOM 0 HA ALA A 455 2.371 9.426 0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 455 3.800 8.704 -1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 455 2.428 9.680 -2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 455 4.049 10.406 -2.341 1.00 0.00 H new ATOM 1168 N GLN A 456 5.244 11.028 0.260 1.00 0.00 N ATOM 1169 CA GLN A 456 6.444 11.167 1.093 1.00 0.00 C ATOM 1170 C GLN A 456 6.099 11.472 2.558 1.00 0.00 C ATOM 1171 O GLN A 456 6.783 10.986 3.460 1.00 0.00 O ATOM 1172 CB GLN A 456 7.345 12.272 0.510 1.00 0.00 C ATOM 1173 CG GLN A 456 8.104 11.835 -0.758 1.00 0.00 C ATOM 1174 CD GLN A 456 9.221 10.816 -0.504 1.00 0.00 C ATOM 1175 OE1 GLN A 456 9.614 10.519 0.617 1.00 0.00 O ATOM 1176 NE2 GLN A 456 9.781 10.234 -1.544 1.00 0.00 N ATOM 0 H GLN A 456 5.196 11.713 -0.494 1.00 0.00 H new ATOM 0 HA GLN A 456 6.974 10.215 1.084 1.00 0.00 H new ATOM 0 HB2 GLN A 456 6.734 13.144 0.277 1.00 0.00 H new ATOM 0 HB3 GLN A 456 8.065 12.581 1.268 1.00 0.00 H new ATOM 0 HG2 GLN A 456 7.392 11.408 -1.464 1.00 0.00 H new ATOM 0 HG3 GLN A 456 8.534 12.717 -1.232 1.00 0.00 H new ATOM 0 HE21 GLN A 456 9.470 10.466 -2.487 1.00 0.00 H new ATOM 0 HE22 GLN A 456 10.526 9.551 -1.406 1.00 0.00 H new ATOM 1185 N ALA A 457 5.018 12.216 2.815 1.00 0.00 N ATOM 1186 CA ALA A 457 4.501 12.445 4.165 1.00 0.00 C ATOM 1187 C ALA A 457 4.008 11.150 4.839 1.00 0.00 C ATOM 1188 O ALA A 457 4.144 11.011 6.055 1.00 0.00 O ATOM 1189 CB ALA A 457 3.389 13.497 4.083 1.00 0.00 C ATOM 0 H ALA A 457 4.475 12.679 2.086 1.00 0.00 H new ATOM 0 HA ALA A 457 5.312 12.809 4.796 1.00 0.00 H new ATOM 0 HB1 ALA A 457 2.989 13.683 5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 457 3.794 14.424 3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 457 2.592 13.134 3.434 1.00 0.00 H new ATOM 1195 N ALA A 458 3.500 10.181 4.067 1.00 0.00 N ATOM 1196 CA ALA A 458 3.084 8.880 4.582 1.00 0.00 C ATOM 1197 C ALA A 458 4.287 7.975 4.873 1.00 0.00 C ATOM 1198 O ALA A 458 4.328 7.356 5.934 1.00 0.00 O ATOM 1199 CB ALA A 458 2.109 8.243 3.590 1.00 0.00 C ATOM 0 H ALA A 458 3.367 10.283 3.061 1.00 0.00 H new ATOM 0 HA ALA A 458 2.576 9.016 5.537 1.00 0.00 H new ATOM 0 HB1 ALA A 458 1.792 7.270 3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 458 1.238 8.888 3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 458 2.601 8.117 2.626 1.00 0.00 H new ATOM 1205 N ILE A 459 5.310 7.950 4.002 1.00 0.00 N ATOM 1206 CA ILE A 459 6.559 7.197 4.263 1.00 0.00 C ATOM 1207 C ILE A 459 7.209 7.686 5.564 1.00 0.00 C ATOM 1208 O ILE A 459 7.546 6.878 6.428 1.00 0.00 O ATOM 1209 CB ILE A 459 7.571 7.280 3.089 1.00 0.00 C ATOM 1210 CG1 ILE A 459 6.926 6.935 1.731 1.00 0.00 C ATOM 1211 CG2 ILE A 459 8.758 6.327 3.356 1.00 0.00 C ATOM 1212 CD1 ILE A 459 7.891 7.079 0.550 1.00 0.00 C ATOM 0 H ILE A 459 5.301 8.442 3.108 1.00 0.00 H new ATOM 0 HA ILE A 459 6.282 6.148 4.364 1.00 0.00 H new ATOM 0 HB ILE A 459 7.920 8.311 3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 459 6.552 5.912 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 459 6.065 7.584 1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 459 9.466 6.388 2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 459 9.255 6.616 4.282 1.00 0.00 H new ATOM 0 HG23 ILE A 459 8.391 5.305 3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 459 7.375 6.822 -0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 459 8.246 8.108 0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 459 8.740 6.410 0.690 1.00 0.00 H new ATOM 1224 N GLN A 460 7.324 9.005 5.735 1.00 0.00 N ATOM 1225 CA GLN A 460 7.952 9.625 6.908 1.00 0.00 C ATOM 1226 C GLN A 460 7.116 9.497 8.196 1.00 0.00 C ATOM 1227 O GLN A 460 7.650 9.704 9.286 1.00 0.00 O ATOM 1228 CB GLN A 460 8.248 11.102 6.597 1.00 0.00 C ATOM 1229 CG GLN A 460 9.368 11.271 5.555 1.00 0.00 C ATOM 1230 CD GLN A 460 9.479 12.720 5.086 1.00 0.00 C ATOM 1231 OE1 GLN A 460 10.330 13.489 5.519 1.00 0.00 O ATOM 1232 NE2 GLN A 460 8.613 13.149 4.191 1.00 0.00 N ATOM 0 H GLN A 460 6.980 9.683 5.055 1.00 0.00 H new ATOM 0 HA GLN A 460 8.878 9.084 7.105 1.00 0.00 H new ATOM 0 HB2 GLN A 460 7.340 11.582 6.231 1.00 0.00 H new ATOM 0 HB3 GLN A 460 8.531 11.614 7.517 1.00 0.00 H new ATOM 0 HG2 GLN A 460 10.318 10.952 5.985 1.00 0.00 H new ATOM 0 HG3 GLN A 460 9.172 10.624 4.700 1.00 0.00 H new ATOM 0 HE21 GLN A 460 7.902 12.516 3.825 1.00 0.00 H new ATOM 0 HE22 GLN A 460 8.654 14.114 3.864 1.00 0.00 H new ATOM 1241 N SER A 461 5.836 9.129 8.104 1.00 0.00 N ATOM 1242 CA SER A 461 4.955 8.936 9.270 1.00 0.00 C ATOM 1243 C SER A 461 4.737 7.459 9.643 1.00 0.00 C ATOM 1244 O SER A 461 4.550 7.153 10.824 1.00 0.00 O ATOM 1245 CB SER A 461 3.588 9.587 9.013 1.00 0.00 C ATOM 1246 OG SER A 461 3.702 10.986 8.800 1.00 0.00 O ATOM 0 H SER A 461 5.373 8.954 7.212 1.00 0.00 H new ATOM 0 HA SER A 461 5.464 9.411 10.109 1.00 0.00 H new ATOM 0 HB2 SER A 461 3.123 9.124 8.143 1.00 0.00 H new ATOM 0 HB3 SER A 461 2.931 9.401 9.863 1.00 0.00 H new ATOM 0 HG SER A 461 3.850 11.161 7.847 1.00 0.00 H new ATOM 1252 N MET A 462 4.786 6.541 8.666 1.00 0.00 N ATOM 1253 CA MET A 462 4.371 5.139 8.837 1.00 0.00 C ATOM 1254 C MET A 462 5.503 4.114 8.737 1.00 0.00 C ATOM 1255 O MET A 462 5.344 2.992 9.215 1.00 0.00 O ATOM 1256 CB MET A 462 3.277 4.797 7.815 1.00 0.00 C ATOM 1257 CG MET A 462 2.048 5.712 7.919 1.00 0.00 C ATOM 1258 SD MET A 462 1.359 5.945 9.583 1.00 0.00 S ATOM 1259 CE MET A 462 0.745 4.284 9.917 1.00 0.00 C ATOM 0 H MET A 462 5.118 6.753 7.725 1.00 0.00 H new ATOM 0 HA MET A 462 3.998 5.067 9.859 1.00 0.00 H new ATOM 0 HB2 MET A 462 3.692 4.869 6.810 1.00 0.00 H new ATOM 0 HB3 MET A 462 2.965 3.762 7.958 1.00 0.00 H new ATOM 0 HG2 MET A 462 2.315 6.690 7.519 1.00 0.00 H new ATOM 0 HG3 MET A 462 1.265 5.308 7.278 1.00 0.00 H new ATOM 0 HE1 MET A 462 -0.014 4.327 10.698 1.00 0.00 H new ATOM 0 HE2 MET A 462 0.308 3.868 9.009 1.00 0.00 H new ATOM 0 HE3 MET A 462 1.569 3.651 10.246 1.00 0.00 H new ATOM 1269 N ASN A 463 6.656 4.463 8.165 1.00 0.00 N ATOM 1270 CA ASN A 463 7.797 3.551 8.105 1.00 0.00 C ATOM 1271 C ASN A 463 8.407 3.352 9.511 1.00 0.00 C ATOM 1272 O ASN A 463 8.959 4.286 10.098 1.00 0.00 O ATOM 1273 CB ASN A 463 8.804 4.086 7.079 1.00 0.00 C ATOM 1274 CG ASN A 463 9.910 3.079 6.806 1.00 0.00 C ATOM 1275 OD1 ASN A 463 9.640 1.972 6.355 1.00 0.00 O ATOM 1276 ND2 ASN A 463 11.157 3.412 7.075 1.00 0.00 N ATOM 0 H ASN A 463 6.824 5.373 7.736 1.00 0.00 H new ATOM 0 HA ASN A 463 7.480 2.562 7.775 1.00 0.00 H new ATOM 0 HB2 ASN A 463 8.287 4.321 6.149 1.00 0.00 H new ATOM 0 HB3 ASN A 463 9.239 5.016 7.446 1.00 0.00 H new ATOM 0 HD21 ASN A 463 11.910 2.745 6.908 1.00 0.00 H new ATOM 0 HD22 ASN A 463 11.368 4.337 7.450 1.00 0.00 H new ATOM 1283 N GLY A 464 8.271 2.140 10.063 1.00 0.00 N ATOM 1284 CA GLY A 464 8.650 1.770 11.436 1.00 0.00 C ATOM 1285 C GLY A 464 7.520 1.887 12.469 1.00 0.00 C ATOM 1286 O GLY A 464 7.764 1.618 13.646 1.00 0.00 O ATOM 0 H GLY A 464 7.877 1.355 9.544 1.00 0.00 H new ATOM 0 HA2 GLY A 464 9.016 0.743 11.433 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.479 2.403 11.752 1.00 0.00 H new ATOM 1290 N PHE A 465 6.300 2.268 12.064 1.00 0.00 N ATOM 1291 CA PHE A 465 5.139 2.449 12.949 1.00 0.00 C ATOM 1292 C PHE A 465 4.765 1.145 13.664 1.00 0.00 C ATOM 1293 O PHE A 465 4.535 0.126 13.012 1.00 0.00 O ATOM 1294 CB PHE A 465 3.965 2.974 12.109 1.00 0.00 C ATOM 1295 CG PHE A 465 2.676 3.235 12.866 1.00 0.00 C ATOM 1296 CD1 PHE A 465 2.439 4.507 13.421 1.00 0.00 C ATOM 1297 CD2 PHE A 465 1.694 2.229 12.988 1.00 0.00 C ATOM 1298 CE1 PHE A 465 1.234 4.774 14.094 1.00 0.00 C ATOM 1299 CE2 PHE A 465 0.488 2.498 13.660 1.00 0.00 C ATOM 1300 CZ PHE A 465 0.258 3.769 14.213 1.00 0.00 C ATOM 0 H PHE A 465 6.087 2.464 11.086 1.00 0.00 H new ATOM 0 HA PHE A 465 5.389 3.170 13.728 1.00 0.00 H new ATOM 0 HB2 PHE A 465 4.274 3.901 11.626 1.00 0.00 H new ATOM 0 HB3 PHE A 465 3.759 2.254 11.316 1.00 0.00 H new ATOM 0 HD1 PHE A 465 3.186 5.281 13.329 1.00 0.00 H new ATOM 0 HD2 PHE A 465 1.869 1.251 12.565 1.00 0.00 H new ATOM 0 HE1 PHE A 465 1.058 5.751 14.520 1.00 0.00 H new ATOM 0 HE2 PHE A 465 -0.262 1.727 13.751 1.00 0.00 H new ATOM 0 HZ PHE A 465 -0.668 3.974 14.729 1.00 0.00 H new ATOM 1310 N GLN A 466 4.709 1.169 14.998 1.00 0.00 N ATOM 1311 CA GLN A 466 4.419 -0.008 15.818 1.00 0.00 C ATOM 1312 C GLN A 466 2.907 -0.270 15.852 1.00 0.00 C ATOM 1313 O GLN A 466 2.116 0.620 16.164 1.00 0.00 O ATOM 1314 CB GLN A 466 5.031 0.191 17.219 1.00 0.00 C ATOM 1315 CG GLN A 466 5.296 -1.116 17.989 1.00 0.00 C ATOM 1316 CD GLN A 466 4.043 -1.801 18.544 1.00 0.00 C ATOM 1317 OE1 GLN A 466 3.366 -1.301 19.433 1.00 0.00 O ATOM 1318 NE2 GLN A 466 3.706 -2.983 18.069 1.00 0.00 N ATOM 0 H GLN A 466 4.866 2.016 15.544 1.00 0.00 H new ATOM 0 HA GLN A 466 4.874 -0.899 15.385 1.00 0.00 H new ATOM 0 HB2 GLN A 466 5.970 0.736 17.118 1.00 0.00 H new ATOM 0 HB3 GLN A 466 4.361 0.817 17.809 1.00 0.00 H new ATOM 0 HG2 GLN A 466 5.811 -1.813 17.327 1.00 0.00 H new ATOM 0 HG3 GLN A 466 5.973 -0.903 18.816 1.00 0.00 H new ATOM 0 HE21 GLN A 466 4.261 -3.412 17.328 1.00 0.00 H new ATOM 0 HE22 GLN A 466 2.890 -3.469 18.442 1.00 0.00 H new ATOM 1327 N ILE A 467 2.506 -1.503 15.532 1.00 0.00 N ATOM 1328 CA ILE A 467 1.105 -1.930 15.428 1.00 0.00 C ATOM 1329 C ILE A 467 0.983 -3.406 15.827 1.00 0.00 C ATOM 1330 O ILE A 467 1.797 -4.233 15.413 1.00 0.00 O ATOM 1331 CB ILE A 467 0.573 -1.616 14.007 1.00 0.00 C ATOM 1332 CG1 ILE A 467 -0.964 -1.728 13.980 1.00 0.00 C ATOM 1333 CG2 ILE A 467 1.239 -2.470 12.910 1.00 0.00 C ATOM 1334 CD1 ILE A 467 -1.605 -1.242 12.674 1.00 0.00 C ATOM 0 H ILE A 467 3.165 -2.255 15.332 1.00 0.00 H new ATOM 0 HA ILE A 467 0.475 -1.374 16.123 1.00 0.00 H new ATOM 0 HB ILE A 467 0.848 -0.587 13.774 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -1.245 -2.768 14.145 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -1.374 -1.152 14.810 1.00 0.00 H new ATOM 0 HG21 ILE A 467 0.824 -2.203 11.938 1.00 0.00 H new ATOM 0 HG22 ILE A 467 2.313 -2.286 12.908 1.00 0.00 H new ATOM 0 HG23 ILE A 467 1.052 -3.526 13.107 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -2.687 -1.354 12.736 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -1.358 -0.192 12.516 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -1.226 -1.834 11.841 1.00 0.00 H new ATOM 1392 N ARG A 471 6.078 -4.013 13.634 1.00 0.00 N ATOM 1393 CA ARG A 471 6.296 -2.672 13.060 1.00 0.00 C ATOM 1394 C ARG A 471 6.156 -2.700 11.533 1.00 0.00 C ATOM 1395 O ARG A 471 6.676 -3.609 10.885 1.00 0.00 O ATOM 1396 CB ARG A 471 7.685 -2.116 13.429 1.00 0.00 C ATOM 1397 CG ARG A 471 7.816 -1.727 14.908 1.00 0.00 C ATOM 1398 CD ARG A 471 9.209 -1.163 15.206 1.00 0.00 C ATOM 1399 NE ARG A 471 9.327 -0.750 16.617 1.00 0.00 N ATOM 1400 CZ ARG A 471 9.072 0.450 17.127 1.00 0.00 C ATOM 1401 NH1 ARG A 471 8.630 1.453 16.396 1.00 0.00 N ATOM 1402 NH2 ARG A 471 9.261 0.660 18.412 1.00 0.00 N ATOM 0 HA ARG A 471 5.533 -2.019 13.483 1.00 0.00 H new ATOM 0 HB2 ARG A 471 8.442 -2.863 13.190 1.00 0.00 H new ATOM 0 HB3 ARG A 471 7.893 -1.242 12.812 1.00 0.00 H new ATOM 0 HG2 ARG A 471 7.058 -0.986 15.161 1.00 0.00 H new ATOM 0 HG3 ARG A 471 7.631 -2.599 15.535 1.00 0.00 H new ATOM 0 HD2 ARG A 471 9.965 -1.915 14.980 1.00 0.00 H new ATOM 0 HD3 ARG A 471 9.405 -0.310 14.557 1.00 0.00 H new ATOM 0 HE ARG A 471 9.639 -1.465 17.274 1.00 0.00 H new ATOM 0 HH11 ARG A 471 8.471 1.324 15.397 1.00 0.00 H new ATOM 0 HH12 ARG A 471 8.447 2.358 16.829 1.00 0.00 H new ATOM 0 HH21 ARG A 471 9.601 -0.095 19.008 1.00 0.00 H new ATOM 0 HH22 ARG A 471 9.068 1.578 18.813 1.00 0.00 H new ATOM 1416 N LEU A 472 5.480 -1.696 10.968 1.00 0.00 N ATOM 1417 CA LEU A 472 5.313 -1.502 9.521 1.00 0.00 C ATOM 1418 C LEU A 472 6.629 -1.117 8.828 1.00 0.00 C ATOM 1419 O LEU A 472 7.547 -0.583 9.451 1.00 0.00 O ATOM 1420 CB LEU A 472 4.280 -0.383 9.261 1.00 0.00 C ATOM 1421 CG LEU A 472 2.861 -0.590 9.821 1.00 0.00 C ATOM 1422 CD1 LEU A 472 1.957 0.555 9.345 1.00 0.00 C ATOM 1423 CD2 LEU A 472 2.263 -1.928 9.380 1.00 0.00 C ATOM 0 H LEU A 472 5.019 -0.973 11.520 1.00 0.00 H new ATOM 0 HA LEU A 472 4.973 -2.452 9.109 1.00 0.00 H new ATOM 0 HB2 LEU A 472 4.675 0.544 9.676 1.00 0.00 H new ATOM 0 HB3 LEU A 472 4.200 -0.241 8.183 1.00 0.00 H new ATOM 0 HG LEU A 472 2.927 -0.597 10.909 1.00 0.00 H new ATOM 0 HD11 LEU A 472 0.951 0.412 9.739 1.00 0.00 H new ATOM 0 HD12 LEU A 472 2.355 1.505 9.701 1.00 0.00 H new ATOM 0 HD13 LEU A 472 1.922 0.562 8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 472 1.262 -2.034 9.797 1.00 0.00 H new ATOM 0 HD22 LEU A 472 2.208 -1.961 8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 472 2.893 -2.743 9.737 1.00 0.00 H new ATOM 1435 N LYS A 473 6.677 -1.300 7.510 1.00 0.00 N ATOM 1436 CA LYS A 473 7.723 -0.783 6.615 1.00 0.00 C ATOM 1437 C LYS A 473 7.060 -0.220 5.342 1.00 0.00 C ATOM 1438 O LYS A 473 6.083 -0.792 4.863 1.00 0.00 O ATOM 1439 CB LYS A 473 8.745 -1.899 6.326 1.00 0.00 C ATOM 1440 CG LYS A 473 9.937 -1.413 5.482 1.00 0.00 C ATOM 1441 CD LYS A 473 10.983 -2.506 5.217 1.00 0.00 C ATOM 1442 CE LYS A 473 11.705 -2.936 6.504 1.00 0.00 C ATOM 1443 NZ LYS A 473 12.841 -3.853 6.222 1.00 0.00 N ATOM 0 H LYS A 473 5.963 -1.832 7.012 1.00 0.00 H new ATOM 0 HA LYS A 473 8.273 0.035 7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 473 9.114 -2.301 7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 473 8.246 -2.716 5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 473 9.568 -1.035 4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 473 10.417 -0.577 5.992 1.00 0.00 H new ATOM 0 HD2 LYS A 473 10.497 -3.372 4.768 1.00 0.00 H new ATOM 0 HD3 LYS A 473 11.714 -2.141 4.496 1.00 0.00 H new ATOM 0 HE2 LYS A 473 12.072 -2.053 7.027 1.00 0.00 H new ATOM 0 HE3 LYS A 473 10.997 -3.429 7.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 13.302 -4.120 7.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 12.488 -4.707 5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 13.529 -3.374 5.607 1.00 0.00 H new ATOM 1457 N VAL A 474 7.549 0.896 4.800 1.00 0.00 N ATOM 1458 CA VAL A 474 6.955 1.594 3.647 1.00 0.00 C ATOM 1459 C VAL A 474 8.072 2.075 2.716 1.00 0.00 C ATOM 1460 O VAL A 474 9.094 2.571 3.188 1.00 0.00 O ATOM 1461 CB VAL A 474 6.071 2.790 4.088 1.00 0.00 C ATOM 1462 CG1 VAL A 474 5.312 3.367 2.888 1.00 0.00 C ATOM 1463 CG2 VAL A 474 5.053 2.412 5.177 1.00 0.00 C ATOM 0 H VAL A 474 8.388 1.354 5.155 1.00 0.00 H new ATOM 0 HA VAL A 474 6.309 0.892 3.120 1.00 0.00 H new ATOM 0 HB VAL A 474 6.752 3.532 4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 474 4.697 4.205 3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 474 6.024 3.711 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 474 4.674 2.596 2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 474 4.464 3.289 5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 474 4.392 1.631 4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 474 5.581 2.047 6.058 1.00 0.00 H new ATOM 1473 N GLN A 475 7.881 1.931 1.402 1.00 0.00 N ATOM 1474 CA GLN A 475 8.885 2.252 0.382 1.00 0.00 C ATOM 1475 C GLN A 475 8.210 2.671 -0.934 1.00 0.00 C ATOM 1476 O GLN A 475 7.096 2.239 -1.230 1.00 0.00 O ATOM 1477 CB GLN A 475 9.782 1.012 0.196 1.00 0.00 C ATOM 1478 CG GLN A 475 11.042 1.257 -0.654 1.00 0.00 C ATOM 1479 CD GLN A 475 11.955 0.028 -0.741 1.00 0.00 C ATOM 1480 OE1 GLN A 475 11.548 -1.116 -0.582 1.00 0.00 O ATOM 1481 NE2 GLN A 475 13.235 0.212 -0.998 1.00 0.00 N ATOM 0 H GLN A 475 7.007 1.581 1.009 1.00 0.00 H new ATOM 0 HA GLN A 475 9.495 3.098 0.699 1.00 0.00 H new ATOM 0 HB2 GLN A 475 10.086 0.649 1.178 1.00 0.00 H new ATOM 0 HB3 GLN A 475 9.194 0.220 -0.268 1.00 0.00 H new ATOM 0 HG2 GLN A 475 10.743 1.553 -1.660 1.00 0.00 H new ATOM 0 HG3 GLN A 475 11.603 2.090 -0.230 1.00 0.00 H new ATOM 0 HE21 GLN A 475 13.597 1.156 -1.134 1.00 0.00 H new ATOM 0 HE22 GLN A 475 13.863 -0.589 -1.061 1.00 0.00 H new ATOM 1490 N LEU A 476 8.889 3.495 -1.740 1.00 0.00 N ATOM 1491 CA LEU A 476 8.474 3.814 -3.114 1.00 0.00 C ATOM 1492 C LEU A 476 8.428 2.574 -4.026 1.00 0.00 C ATOM 1493 O LEU A 476 9.121 1.579 -3.801 1.00 0.00 O ATOM 1494 CB LEU A 476 9.432 4.861 -3.722 1.00 0.00 C ATOM 1495 CG LEU A 476 9.385 6.269 -3.098 1.00 0.00 C ATOM 1496 CD1 LEU A 476 10.434 7.149 -3.791 1.00 0.00 C ATOM 1497 CD2 LEU A 476 8.004 6.920 -3.252 1.00 0.00 C ATOM 0 H LEU A 476 9.749 3.964 -1.456 1.00 0.00 H new ATOM 0 HA LEU A 476 7.461 4.213 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 476 10.451 4.483 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 476 9.212 4.950 -4.786 1.00 0.00 H new ATOM 0 HG LEU A 476 9.592 6.176 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 476 10.412 8.150 -3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 476 11.424 6.715 -3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 476 10.212 7.209 -4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 476 8.016 7.911 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 476 7.760 7.009 -4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 476 7.254 6.303 -2.757 1.00 0.00 H new ATOM 1509 N LYS A 477 7.649 2.665 -5.108 1.00 0.00 N ATOM 1510 CA LYS A 477 7.588 1.669 -6.188 1.00 0.00 C ATOM 1511 C LYS A 477 8.982 1.348 -6.784 1.00 0.00 C ATOM 1512 O LYS A 477 9.764 2.253 -7.089 1.00 0.00 O ATOM 1513 CB LYS A 477 6.579 2.181 -7.237 1.00 0.00 C ATOM 1514 CG LYS A 477 6.431 1.244 -8.447 1.00 0.00 C ATOM 1515 CD LYS A 477 5.287 1.685 -9.369 1.00 0.00 C ATOM 1516 CE LYS A 477 5.174 0.712 -10.551 1.00 0.00 C ATOM 1517 NZ LYS A 477 4.150 1.150 -11.529 1.00 0.00 N ATOM 0 H LYS A 477 7.024 3.456 -5.263 1.00 0.00 H new ATOM 0 HA LYS A 477 7.245 0.712 -5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 477 5.606 2.307 -6.763 1.00 0.00 H new ATOM 0 HB3 LYS A 477 6.895 3.165 -7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 477 7.365 1.225 -9.009 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.247 0.227 -8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.349 1.710 -8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 477 5.469 2.696 -9.733 1.00 0.00 H new ATOM 0 HE2 LYS A 477 6.140 0.631 -11.049 1.00 0.00 H new ATOM 0 HE3 LYS A 477 4.922 -0.282 -10.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 4.115 0.476 -12.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 3.220 1.187 -11.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 4.395 2.095 -11.889 1.00 0.00 H new