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= 1.47 K(o=1.5,f=-8.3!) USER MOD Set 1.2: A 454 SER OG : rot 74:sc=0.000697 USER MOD Single : A 393 SER OG : rot 180:sc= 0.00309 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 402 ASN : amide:sc= 1.18 K(o=1.2,f=-2.9!) 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= -0.0619 K(o=-0.062,f=-3.9!) USER MOD Single : A 415 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 419 GLN : amide:sc=-0.000519 X(o=-0.00052,f=-0.46) USER MOD Single : A 420 MET CE :methyl 167:sc= 0 (180deg=-0.109) USER MOD Single : A 422 MET CE :methyl -168:sc= -0.0704 (180deg=-0.176) USER MOD Single : A 426 ASN : amide:sc= -0.0166 K(o=-0.017,f=-0.77) USER MOD Single : A 429 SER OG : rot 175:sc= 0.0961 USER MOD Single : A 431 LYS NZ :NH3+ -176:sc= 1.01 (180deg=0.822) USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 CYS SG : rot -78:sc= 0.0198 USER MOD Single : A 448 SER OG : rot 94:sc= 0.522 USER MOD Single : A 449 TYR OH : rot -156:sc= 1.12 USER MOD Single : A 456 GLN : amide:sc=-0.00466 X(o=-0.0047,f=-0.47) USER MOD Single : A 460 GLN : amide:sc= 0.346 X(o=0.35,f=0) USER MOD Single : A 461 SER OG : rot 89:sc= 1.1 USER MOD Single : A 462 MET CE :methyl -160:sc= -0.0152 (180deg=-0.504) USER MOD Single : A 463 ASN : amide:sc= 0.807 K(o=0.81,f=-6.5!) USER MOD Single : A 466 GLN : amide:sc= 0 X(o=0,f=-0.11) 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) USER MOD Single : A 477 LYS NZ :NH3+ -126:sc= 0.708 (180deg=-0.183) USER MOD ----------------------------------------------------------------- ATOM 182 N ALA A 391 -10.220 2.032 -2.073 1.00 0.00 N ATOM 183 CA ALA A 391 -10.070 0.671 -1.549 1.00 0.00 C ATOM 184 C ALA A 391 -10.579 -0.359 -2.567 1.00 0.00 C ATOM 185 O ALA A 391 -11.734 -0.303 -3.002 1.00 0.00 O ATOM 186 CB ALA A 391 -10.824 0.553 -0.216 1.00 0.00 C ATOM 0 HA ALA A 391 -9.014 0.465 -1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -10.714 -0.458 0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -10.413 1.266 0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -11.881 0.767 -0.375 1.00 0.00 H new ATOM 192 N GLY A 392 -9.707 -1.293 -2.953 1.00 0.00 N ATOM 193 CA GLY A 392 -9.979 -2.303 -3.983 1.00 0.00 C ATOM 194 C GLY A 392 -9.584 -1.847 -5.390 1.00 0.00 C ATOM 195 O GLY A 392 -9.725 -2.616 -6.340 1.00 0.00 O ATOM 0 H GLY A 392 -8.773 -1.372 -2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -9.438 -3.217 -3.739 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -11.041 -2.548 -3.972 1.00 0.00 H new ATOM 199 N SER A 393 -9.081 -0.622 -5.538 1.00 0.00 N ATOM 200 CA SER A 393 -8.531 -0.119 -6.800 1.00 0.00 C ATOM 201 C SER A 393 -7.136 -0.704 -7.092 1.00 0.00 C ATOM 202 O SER A 393 -6.457 -1.229 -6.203 1.00 0.00 O ATOM 203 CB SER A 393 -8.488 1.415 -6.772 1.00 0.00 C ATOM 204 OG SER A 393 -8.228 1.937 -8.068 1.00 0.00 O ATOM 0 H SER A 393 -9.043 0.058 -4.778 1.00 0.00 H new ATOM 0 HA SER A 393 -9.186 -0.443 -7.609 1.00 0.00 H new ATOM 0 HB2 SER A 393 -9.437 1.803 -6.403 1.00 0.00 H new ATOM 0 HB3 SER A 393 -7.716 1.749 -6.079 1.00 0.00 H new ATOM 0 HG SER A 393 -8.206 2.916 -8.028 1.00 0.00 H new ATOM 210 N GLN A 394 -6.697 -0.608 -8.349 1.00 0.00 N ATOM 211 CA GLN A 394 -5.351 -0.976 -8.805 1.00 0.00 C ATOM 212 C GLN A 394 -4.763 0.103 -9.739 1.00 0.00 C ATOM 213 O GLN A 394 -3.826 -0.152 -10.499 1.00 0.00 O ATOM 214 CB GLN A 394 -5.357 -2.396 -9.407 1.00 0.00 C ATOM 215 CG GLN A 394 -5.580 -3.479 -8.333 1.00 0.00 C ATOM 216 CD GLN A 394 -5.436 -4.897 -8.893 1.00 0.00 C ATOM 217 OE1 GLN A 394 -6.026 -5.269 -9.900 1.00 0.00 O ATOM 218 NE2 GLN A 394 -4.648 -5.751 -8.268 1.00 0.00 N ATOM 0 H GLN A 394 -7.288 -0.260 -9.105 1.00 0.00 H new ATOM 0 HA GLN A 394 -4.677 -1.012 -7.949 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -6.141 -2.467 -10.161 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -4.410 -2.578 -9.914 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -4.864 -3.337 -7.524 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -6.575 -3.361 -7.903 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -4.147 -5.462 -7.428 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -4.539 -6.700 -8.625 1.00 0.00 H new ATOM 227 N LYS A 395 -5.301 1.329 -9.675 1.00 0.00 N ATOM 228 CA LYS A 395 -4.707 2.523 -10.291 1.00 0.00 C ATOM 229 C LYS A 395 -3.376 2.907 -9.611 1.00 0.00 C ATOM 230 O LYS A 395 -3.034 2.380 -8.551 1.00 0.00 O ATOM 231 CB LYS A 395 -5.689 3.699 -10.136 1.00 0.00 C ATOM 232 CG LYS A 395 -6.876 3.657 -11.107 1.00 0.00 C ATOM 233 CD LYS A 395 -7.778 4.891 -10.939 1.00 0.00 C ATOM 234 CE LYS A 395 -7.005 6.208 -11.137 1.00 0.00 C ATOM 235 NZ LYS A 395 -7.908 7.388 -11.088 1.00 0.00 N ATOM 0 H LYS A 395 -6.175 1.522 -9.186 1.00 0.00 H new ATOM 0 HA LYS A 395 -4.511 2.305 -11.341 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -6.069 3.708 -9.115 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -5.146 4.633 -10.283 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -6.509 3.609 -12.132 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -7.458 2.752 -10.934 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -8.597 4.841 -11.657 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -8.225 4.880 -9.945 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -6.242 6.302 -10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -6.487 6.185 -12.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -7.352 8.256 -11.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -8.621 7.311 -11.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -8.383 7.423 -10.164 1.00 0.00 H new ATOM 249 N GLU A 396 -2.670 3.899 -10.162 1.00 0.00 N ATOM 250 CA GLU A 396 -1.536 4.538 -9.497 1.00 0.00 C ATOM 251 C GLU A 396 -1.312 5.991 -9.939 1.00 0.00 C ATOM 252 O GLU A 396 -1.910 6.461 -10.911 1.00 0.00 O ATOM 253 CB GLU A 396 -0.264 3.681 -9.617 1.00 0.00 C ATOM 254 CG GLU A 396 0.308 3.595 -11.036 1.00 0.00 C ATOM 255 CD GLU A 396 1.560 2.715 -11.050 1.00 0.00 C ATOM 256 OE1 GLU A 396 2.570 3.077 -10.405 1.00 0.00 O ATOM 257 OE2 GLU A 396 1.569 1.656 -11.719 1.00 0.00 O ATOM 0 H GLU A 396 -2.872 4.281 -11.086 1.00 0.00 H new ATOM 0 HA GLU A 396 -1.790 4.600 -8.439 1.00 0.00 H new ATOM 0 HB2 GLU A 396 0.499 4.090 -8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -0.485 2.673 -9.265 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -0.441 3.185 -11.713 1.00 0.00 H new ATOM 0 HG3 GLU A 396 0.553 4.594 -11.398 1.00 0.00 H new ATOM 264 N GLY A 397 -0.472 6.705 -9.182 1.00 0.00 N ATOM 265 CA GLY A 397 -0.205 8.138 -9.340 1.00 0.00 C ATOM 266 C GLY A 397 1.029 8.443 -10.201 1.00 0.00 C ATOM 267 O GLY A 397 1.551 7.543 -10.869 1.00 0.00 O ATOM 0 H GLY A 397 0.058 6.287 -8.417 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -1.077 8.614 -9.788 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -0.069 8.584 -8.355 1.00 0.00 H new ATOM 271 N PRO A 398 1.511 9.704 -10.189 1.00 0.00 N ATOM 272 CA PRO A 398 2.756 10.095 -10.848 1.00 0.00 C ATOM 273 C PRO A 398 3.982 9.485 -10.146 1.00 0.00 C ATOM 274 O PRO A 398 3.877 8.904 -9.065 1.00 0.00 O ATOM 275 CB PRO A 398 2.761 11.628 -10.815 1.00 0.00 C ATOM 276 CG PRO A 398 1.962 11.958 -9.556 1.00 0.00 C ATOM 277 CD PRO A 398 0.908 10.853 -9.518 1.00 0.00 C ATOM 0 HA PRO A 398 2.813 9.725 -11.872 1.00 0.00 H new ATOM 0 HB2 PRO A 398 3.775 12.025 -10.763 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.298 12.051 -11.707 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.590 11.947 -8.665 1.00 0.00 H new ATOM 0 HG3 PRO A 398 1.508 12.947 -9.614 1.00 0.00 H new ATOM 0 HD2 PRO A 398 0.636 10.608 -8.491 1.00 0.00 H new ATOM 0 HD3 PRO A 398 -0.005 11.166 -10.024 1.00 0.00 H new ATOM 285 N GLU A 399 5.161 9.620 -10.764 1.00 0.00 N ATOM 286 CA GLU A 399 6.425 9.103 -10.226 1.00 0.00 C ATOM 287 C GLU A 399 6.720 9.689 -8.831 1.00 0.00 C ATOM 288 O GLU A 399 6.766 10.909 -8.647 1.00 0.00 O ATOM 289 CB GLU A 399 7.562 9.398 -11.220 1.00 0.00 C ATOM 290 CG GLU A 399 8.886 8.740 -10.811 1.00 0.00 C ATOM 291 CD GLU A 399 9.971 8.990 -11.868 1.00 0.00 C ATOM 292 OE1 GLU A 399 10.693 10.012 -11.772 1.00 0.00 O ATOM 293 OE2 GLU A 399 10.115 8.165 -12.802 1.00 0.00 O ATOM 0 H GLU A 399 5.266 10.096 -11.660 1.00 0.00 H new ATOM 0 HA GLU A 399 6.344 8.023 -10.100 1.00 0.00 H new ATOM 0 HB2 GLU A 399 7.275 9.044 -12.210 1.00 0.00 H new ATOM 0 HB3 GLU A 399 7.704 10.476 -11.295 1.00 0.00 H new ATOM 0 HG2 GLU A 399 9.212 9.136 -9.849 1.00 0.00 H new ATOM 0 HG3 GLU A 399 8.739 7.668 -10.681 1.00 0.00 H new ATOM 300 N GLY A 400 6.900 8.806 -7.840 1.00 0.00 N ATOM 301 CA GLY A 400 7.119 9.162 -6.431 1.00 0.00 C ATOM 302 C GLY A 400 5.846 9.170 -5.578 1.00 0.00 C ATOM 303 O GLY A 400 5.942 9.271 -4.356 1.00 0.00 O ATOM 0 H GLY A 400 6.897 7.799 -8.000 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.829 8.458 -5.997 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.580 10.149 -6.385 1.00 0.00 H new ATOM 307 N ALA A 401 4.660 9.059 -6.186 1.00 0.00 N ATOM 308 CA ALA A 401 3.374 8.991 -5.479 1.00 0.00 C ATOM 309 C ALA A 401 2.923 7.553 -5.150 1.00 0.00 C ATOM 310 O ALA A 401 1.916 7.371 -4.469 1.00 0.00 O ATOM 311 CB ALA A 401 2.325 9.729 -6.316 1.00 0.00 C ATOM 0 H ALA A 401 4.564 9.013 -7.200 1.00 0.00 H new ATOM 0 HA ALA A 401 3.495 9.472 -4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 401 1.361 9.690 -5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 401 2.627 10.769 -6.443 1.00 0.00 H new ATOM 0 HB3 ALA A 401 2.239 9.254 -7.293 1.00 0.00 H new ATOM 317 N ASN A 402 3.654 6.548 -5.639 1.00 0.00 N ATOM 318 CA ASN A 402 3.362 5.113 -5.553 1.00 0.00 C ATOM 319 C ASN A 402 4.159 4.445 -4.420 1.00 0.00 C ATOM 320 O ASN A 402 5.392 4.425 -4.444 1.00 0.00 O ATOM 321 CB ASN A 402 3.630 4.411 -6.910 1.00 0.00 C ATOM 322 CG ASN A 402 4.489 5.179 -7.925 1.00 0.00 C ATOM 323 OD1 ASN A 402 5.481 5.829 -7.607 1.00 0.00 O ATOM 324 ND2 ASN A 402 4.115 5.146 -9.188 1.00 0.00 N ATOM 0 H ASN A 402 4.525 6.726 -6.140 1.00 0.00 H new ATOM 0 HA ASN A 402 2.303 5.004 -5.319 1.00 0.00 H new ATOM 0 HB2 ASN A 402 4.114 3.455 -6.709 1.00 0.00 H new ATOM 0 HB3 ASN A 402 2.669 4.191 -7.375 1.00 0.00 H new ATOM 0 HD21 ASN A 402 4.648 5.657 -9.891 1.00 0.00 H new ATOM 0 HD22 ASN A 402 3.292 4.609 -9.462 1.00 0.00 H new ATOM 331 N LEU A 403 3.443 3.882 -3.439 1.00 0.00 N ATOM 332 CA LEU A 403 3.971 3.287 -2.210 1.00 0.00 C ATOM 333 C LEU A 403 3.608 1.802 -2.089 1.00 0.00 C ATOM 334 O LEU A 403 2.447 1.425 -2.271 1.00 0.00 O ATOM 335 CB LEU A 403 3.376 3.995 -0.973 1.00 0.00 C ATOM 336 CG LEU A 403 3.418 5.530 -0.925 1.00 0.00 C ATOM 337 CD1 LEU A 403 2.961 5.983 0.465 1.00 0.00 C ATOM 338 CD2 LEU A 403 4.816 6.071 -1.215 1.00 0.00 C ATOM 0 H LEU A 403 2.426 3.828 -3.486 1.00 0.00 H new ATOM 0 HA LEU A 403 5.054 3.401 -2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 403 2.334 3.687 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 403 3.897 3.620 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 403 2.755 5.922 -1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 403 2.984 7.071 0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 403 1.945 5.632 0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 403 3.628 5.568 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 403 4.801 7.160 -1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 403 5.516 5.687 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 403 5.131 5.752 -2.209 1.00 0.00 H new ATOM 350 N PHE A 404 4.581 0.991 -1.678 1.00 0.00 N ATOM 351 CA PHE A 404 4.406 -0.397 -1.257 1.00 0.00 C ATOM 352 C PHE A 404 4.630 -0.486 0.259 1.00 0.00 C ATOM 353 O PHE A 404 5.586 0.077 0.796 1.00 0.00 O ATOM 354 CB PHE A 404 5.357 -1.312 -2.035 1.00 0.00 C ATOM 355 CG PHE A 404 4.886 -1.599 -3.447 1.00 0.00 C ATOM 356 CD1 PHE A 404 5.166 -0.696 -4.491 1.00 0.00 C ATOM 357 CD2 PHE A 404 4.120 -2.753 -3.708 1.00 0.00 C ATOM 358 CE1 PHE A 404 4.679 -0.948 -5.786 1.00 0.00 C ATOM 359 CE2 PHE A 404 3.645 -3.009 -5.006 1.00 0.00 C ATOM 360 CZ PHE A 404 3.924 -2.106 -6.046 1.00 0.00 C ATOM 0 H PHE A 404 5.553 1.296 -1.627 1.00 0.00 H new ATOM 0 HA PHE A 404 3.393 -0.734 -1.476 1.00 0.00 H new ATOM 0 HB2 PHE A 404 6.344 -0.851 -2.075 1.00 0.00 H new ATOM 0 HB3 PHE A 404 5.467 -2.254 -1.497 1.00 0.00 H new ATOM 0 HD1 PHE A 404 5.754 0.189 -4.297 1.00 0.00 H new ATOM 0 HD2 PHE A 404 3.897 -3.443 -2.908 1.00 0.00 H new ATOM 0 HE1 PHE A 404 4.885 -0.250 -6.584 1.00 0.00 H new ATOM 0 HE2 PHE A 404 3.066 -3.899 -5.204 1.00 0.00 H new ATOM 0 HZ PHE A 404 3.559 -2.301 -7.044 1.00 0.00 H new ATOM 370 N ILE A 405 3.706 -1.158 0.946 1.00 0.00 N ATOM 371 CA ILE A 405 3.604 -1.232 2.410 1.00 0.00 C ATOM 372 C ILE A 405 3.763 -2.700 2.821 1.00 0.00 C ATOM 373 O ILE A 405 3.146 -3.576 2.220 1.00 0.00 O ATOM 374 CB ILE A 405 2.243 -0.665 2.900 1.00 0.00 C ATOM 375 CG1 ILE A 405 1.972 0.832 2.619 1.00 0.00 C ATOM 376 CG2 ILE A 405 2.132 -0.824 4.430 1.00 0.00 C ATOM 377 CD1 ILE A 405 1.815 1.269 1.161 1.00 0.00 C ATOM 0 H ILE A 405 2.973 -1.691 0.479 1.00 0.00 H new ATOM 0 HA ILE A 405 4.386 -0.628 2.870 1.00 0.00 H new ATOM 0 HB ILE A 405 1.516 -1.242 2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 405 1.064 1.113 3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 405 2.789 1.407 3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 405 1.176 -0.425 4.769 1.00 0.00 H new ATOM 0 HG22 ILE A 405 2.198 -1.880 4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 405 2.944 -0.279 4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 405 1.630 2.342 1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 405 2.727 1.037 0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 405 0.976 0.739 0.711 1.00 0.00 H new ATOM 389 N TYR A 406 4.557 -2.969 3.854 1.00 0.00 N ATOM 390 CA TYR A 406 4.895 -4.316 4.336 1.00 0.00 C ATOM 391 C TYR A 406 4.724 -4.462 5.860 1.00 0.00 C ATOM 392 O TYR A 406 4.697 -3.474 6.598 1.00 0.00 O ATOM 393 CB TYR A 406 6.337 -4.660 3.928 1.00 0.00 C ATOM 394 CG TYR A 406 6.684 -4.432 2.467 1.00 0.00 C ATOM 395 CD1 TYR A 406 6.450 -5.445 1.517 1.00 0.00 C ATOM 396 CD2 TYR A 406 7.263 -3.212 2.061 1.00 0.00 C ATOM 397 CE1 TYR A 406 6.792 -5.244 0.166 1.00 0.00 C ATOM 398 CE2 TYR A 406 7.610 -3.004 0.712 1.00 0.00 C ATOM 399 CZ TYR A 406 7.381 -4.025 -0.239 1.00 0.00 C ATOM 400 OH TYR A 406 7.735 -3.847 -1.543 1.00 0.00 O ATOM 0 H TYR A 406 5.001 -2.232 4.402 1.00 0.00 H new ATOM 0 HA TYR A 406 4.198 -5.014 3.873 1.00 0.00 H new ATOM 0 HB2 TYR A 406 7.018 -4.069 4.540 1.00 0.00 H new ATOM 0 HB3 TYR A 406 6.522 -5.707 4.166 1.00 0.00 H new ATOM 0 HD1 TYR A 406 6.006 -6.380 1.826 1.00 0.00 H new ATOM 0 HD2 TYR A 406 7.441 -2.433 2.788 1.00 0.00 H new ATOM 0 HE1 TYR A 406 6.604 -6.021 -0.560 1.00 0.00 H new ATOM 0 HE2 TYR A 406 8.050 -2.067 0.405 1.00 0.00 H new ATOM 0 HH TYR A 406 8.125 -2.955 -1.657 1.00 0.00 H new ATOM 410 N HIS A 407 4.611 -5.712 6.322 1.00 0.00 N ATOM 411 CA HIS A 407 4.398 -6.137 7.717 1.00 0.00 C ATOM 412 C HIS A 407 3.001 -5.763 8.273 1.00 0.00 C ATOM 413 O HIS A 407 2.828 -5.561 9.477 1.00 0.00 O ATOM 414 CB HIS A 407 5.579 -5.694 8.601 1.00 0.00 C ATOM 415 CG HIS A 407 6.907 -6.210 8.118 1.00 0.00 C ATOM 416 ND1 HIS A 407 7.323 -7.543 8.171 1.00 0.00 N ATOM 417 CD2 HIS A 407 7.878 -5.463 7.518 1.00 0.00 C ATOM 418 CE1 HIS A 407 8.539 -7.562 7.601 1.00 0.00 C ATOM 419 NE2 HIS A 407 8.900 -6.330 7.199 1.00 0.00 N ATOM 0 H HIS A 407 4.669 -6.511 5.691 1.00 0.00 H new ATOM 0 HA HIS A 407 4.385 -7.227 7.735 1.00 0.00 H new ATOM 0 HB2 HIS A 407 5.610 -4.605 8.635 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.411 -6.040 9.621 1.00 0.00 H new ATOM 0 HD2 HIS A 407 7.851 -4.400 7.330 1.00 0.00 H new ATOM 0 HE1 HIS A 407 9.146 -8.448 7.481 1.00 0.00 H new ATOM 0 HE2 HIS A 407 9.776 -6.082 6.739 1.00 0.00 H new ATOM 427 N LEU A 408 1.995 -5.667 7.394 1.00 0.00 N ATOM 428 CA LEU A 408 0.604 -5.342 7.751 1.00 0.00 C ATOM 429 C LEU A 408 -0.038 -6.449 8.613 1.00 0.00 C ATOM 430 O LEU A 408 0.384 -7.606 8.521 1.00 0.00 O ATOM 431 CB LEU A 408 -0.227 -5.105 6.470 1.00 0.00 C ATOM 432 CG LEU A 408 0.056 -3.761 5.773 1.00 0.00 C ATOM 433 CD1 LEU A 408 -0.528 -3.779 4.354 1.00 0.00 C ATOM 434 CD2 LEU A 408 -0.556 -2.586 6.552 1.00 0.00 C ATOM 0 H LEU A 408 2.126 -5.816 6.393 1.00 0.00 H new ATOM 0 HA LEU A 408 0.615 -4.430 8.347 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -0.029 -5.914 5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -1.286 -5.154 6.723 1.00 0.00 H new ATOM 0 HG LEU A 408 1.137 -3.626 5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.325 -2.826 3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -0.069 -4.585 3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -1.605 -3.938 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -0.338 -1.653 6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -1.636 -2.719 6.622 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -0.129 -2.552 7.554 1.00 0.00 H new ATOM 446 N PRO A 409 -1.064 -6.130 9.429 1.00 0.00 N ATOM 447 CA PRO A 409 -1.839 -7.126 10.158 1.00 0.00 C ATOM 448 C PRO A 409 -2.476 -8.168 9.233 1.00 0.00 C ATOM 449 O PRO A 409 -2.973 -7.845 8.155 1.00 0.00 O ATOM 450 CB PRO A 409 -2.905 -6.346 10.935 1.00 0.00 C ATOM 451 CG PRO A 409 -2.272 -4.968 11.104 1.00 0.00 C ATOM 452 CD PRO A 409 -1.512 -4.791 9.793 1.00 0.00 C ATOM 0 HA PRO A 409 -1.192 -7.697 10.824 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -3.845 -6.293 10.386 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -3.123 -6.810 11.897 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -3.023 -4.191 11.246 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -1.607 -4.930 11.967 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -2.153 -4.366 9.020 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -0.668 -4.113 9.915 1.00 0.00 H new ATOM 460 N GLN A 410 -2.518 -9.414 9.705 1.00 0.00 N ATOM 461 CA GLN A 410 -3.164 -10.575 9.072 1.00 0.00 C ATOM 462 C GLN A 410 -4.694 -10.453 8.901 1.00 0.00 C ATOM 463 O GLN A 410 -5.331 -11.317 8.295 1.00 0.00 O ATOM 464 CB GLN A 410 -2.810 -11.826 9.891 1.00 0.00 C ATOM 465 CG GLN A 410 -3.423 -11.896 11.306 1.00 0.00 C ATOM 466 CD GLN A 410 -2.857 -10.899 12.329 1.00 0.00 C ATOM 467 OE1 GLN A 410 -1.734 -10.410 12.235 1.00 0.00 O ATOM 468 NE2 GLN A 410 -3.624 -10.513 13.326 1.00 0.00 N ATOM 0 H GLN A 410 -2.077 -9.659 10.592 1.00 0.00 H new ATOM 0 HA GLN A 410 -2.780 -10.639 8.054 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -3.130 -12.706 9.333 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -1.725 -11.883 9.982 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -4.498 -11.733 11.224 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -3.282 -12.905 11.693 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -4.561 -10.902 13.429 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -3.281 -9.824 13.996 1.00 0.00 H new ATOM 477 N GLU A 411 -5.278 -9.394 9.463 1.00 0.00 N ATOM 478 CA GLU A 411 -6.715 -9.090 9.474 1.00 0.00 C ATOM 479 C GLU A 411 -7.104 -7.838 8.660 1.00 0.00 C ATOM 480 O GLU A 411 -8.291 -7.574 8.455 1.00 0.00 O ATOM 481 CB GLU A 411 -7.181 -8.962 10.930 1.00 0.00 C ATOM 482 CG GLU A 411 -6.567 -7.786 11.704 1.00 0.00 C ATOM 483 CD GLU A 411 -7.087 -7.765 13.150 1.00 0.00 C ATOM 484 OE1 GLU A 411 -6.524 -8.485 14.009 1.00 0.00 O ATOM 485 OE2 GLU A 411 -8.061 -7.030 13.439 1.00 0.00 O ATOM 0 H GLU A 411 -4.733 -8.683 9.951 1.00 0.00 H new ATOM 0 HA GLU A 411 -7.223 -9.916 8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -8.266 -8.859 10.941 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -6.944 -9.887 11.455 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -5.480 -7.870 11.703 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -6.815 -6.847 11.208 1.00 0.00 H new ATOM 492 N PHE A 412 -6.115 -7.066 8.196 1.00 0.00 N ATOM 493 CA PHE A 412 -6.311 -5.844 7.403 1.00 0.00 C ATOM 494 C PHE A 412 -6.823 -6.145 5.985 1.00 0.00 C ATOM 495 O PHE A 412 -6.282 -7.004 5.284 1.00 0.00 O ATOM 496 CB PHE A 412 -5.001 -5.029 7.339 1.00 0.00 C ATOM 497 CG PHE A 412 -4.950 -3.800 8.228 1.00 0.00 C ATOM 498 CD1 PHE A 412 -5.373 -3.863 9.571 1.00 0.00 C ATOM 499 CD2 PHE A 412 -4.470 -2.581 7.708 1.00 0.00 C ATOM 500 CE1 PHE A 412 -5.322 -2.716 10.383 1.00 0.00 C ATOM 501 CE2 PHE A 412 -4.419 -1.435 8.521 1.00 0.00 C ATOM 502 CZ PHE A 412 -4.845 -1.502 9.859 1.00 0.00 C ATOM 0 H PHE A 412 -5.132 -7.278 8.365 1.00 0.00 H new ATOM 0 HA PHE A 412 -7.078 -5.254 7.905 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -4.173 -5.685 7.608 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -4.838 -4.716 6.308 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -5.737 -4.795 9.978 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -4.140 -2.527 6.681 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -5.650 -2.768 11.411 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -4.052 -0.503 8.117 1.00 0.00 H new ATOM 0 HZ PHE A 412 -4.806 -0.622 10.484 1.00 0.00 H new ATOM 512 N GLY A 413 -7.838 -5.391 5.555 1.00 0.00 N ATOM 513 CA GLY A 413 -8.342 -5.340 4.179 1.00 0.00 C ATOM 514 C GLY A 413 -8.080 -3.990 3.511 1.00 0.00 C ATOM 515 O GLY A 413 -7.401 -3.118 4.055 1.00 0.00 O ATOM 0 H GLY A 413 -8.353 -4.773 6.182 1.00 0.00 H new ATOM 0 HA2 GLY A 413 -7.871 -6.129 3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -9.414 -5.540 4.180 1.00 0.00 H new ATOM 519 N ASP A 414 -8.640 -3.812 2.315 1.00 0.00 N ATOM 520 CA ASP A 414 -8.371 -2.649 1.456 1.00 0.00 C ATOM 521 C ASP A 414 -8.825 -1.315 2.077 1.00 0.00 C ATOM 522 O ASP A 414 -8.160 -0.295 1.899 1.00 0.00 O ATOM 523 CB ASP A 414 -9.052 -2.851 0.092 1.00 0.00 C ATOM 524 CG ASP A 414 -8.581 -4.099 -0.663 1.00 0.00 C ATOM 525 OD1 ASP A 414 -7.370 -4.404 -0.632 1.00 0.00 O ATOM 526 OD2 ASP A 414 -9.401 -4.767 -1.330 1.00 0.00 O ATOM 0 H ASP A 414 -9.300 -4.474 1.907 1.00 0.00 H new ATOM 0 HA ASP A 414 -7.289 -2.583 1.338 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -10.130 -2.915 0.242 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -8.868 -1.973 -0.528 1.00 0.00 H new ATOM 531 N GLN A 415 -9.933 -1.323 2.831 1.00 0.00 N ATOM 532 CA GLN A 415 -10.444 -0.131 3.520 1.00 0.00 C ATOM 533 C GLN A 415 -9.650 0.197 4.788 1.00 0.00 C ATOM 534 O GLN A 415 -9.540 1.366 5.145 1.00 0.00 O ATOM 535 CB GLN A 415 -11.935 -0.293 3.862 1.00 0.00 C ATOM 536 CG GLN A 415 -12.819 -0.268 2.609 1.00 0.00 C ATOM 537 CD GLN A 415 -14.308 -0.307 2.956 1.00 0.00 C ATOM 538 OE1 GLN A 415 -14.892 -1.359 3.184 1.00 0.00 O ATOM 539 NE2 GLN A 415 -14.982 0.826 3.003 1.00 0.00 N ATOM 0 H GLN A 415 -10.500 -2.157 2.980 1.00 0.00 H new ATOM 0 HA GLN A 415 -10.322 0.704 2.830 1.00 0.00 H new ATOM 0 HB2 GLN A 415 -12.085 -1.233 4.393 1.00 0.00 H new ATOM 0 HB3 GLN A 415 -12.241 0.506 4.537 1.00 0.00 H new ATOM 0 HG2 GLN A 415 -12.605 0.632 2.032 1.00 0.00 H new ATOM 0 HG3 GLN A 415 -12.572 -1.119 1.975 1.00 0.00 H new ATOM 0 HE21 GLN A 415 -14.508 1.709 2.815 1.00 0.00 H new ATOM 0 HE22 GLN A 415 -15.977 0.819 3.227 1.00 0.00 H new ATOM 548 N ASP A 416 -9.053 -0.801 5.444 1.00 0.00 N ATOM 549 CA ASP A 416 -8.199 -0.584 6.619 1.00 0.00 C ATOM 550 C ASP A 416 -6.883 0.097 6.218 1.00 0.00 C ATOM 551 O ASP A 416 -6.456 1.054 6.869 1.00 0.00 O ATOM 552 CB ASP A 416 -7.922 -1.909 7.341 1.00 0.00 C ATOM 553 CG ASP A 416 -9.201 -2.623 7.794 1.00 0.00 C ATOM 554 OD1 ASP A 416 -9.841 -2.158 8.768 1.00 0.00 O ATOM 555 OD2 ASP A 416 -9.543 -3.661 7.182 1.00 0.00 O ATOM 0 H ASP A 416 -9.146 -1.781 5.178 1.00 0.00 H new ATOM 0 HA ASP A 416 -8.729 0.076 7.305 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -7.360 -2.567 6.678 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -7.292 -1.718 8.210 1.00 0.00 H new ATOM 560 N LEU A 417 -6.285 -0.333 5.097 1.00 0.00 N ATOM 561 CA LEU A 417 -5.123 0.322 4.501 1.00 0.00 C ATOM 562 C LEU A 417 -5.461 1.732 3.992 1.00 0.00 C ATOM 563 O LEU A 417 -4.657 2.647 4.166 1.00 0.00 O ATOM 564 CB LEU A 417 -4.565 -0.581 3.385 1.00 0.00 C ATOM 565 CG LEU A 417 -3.207 -0.111 2.823 1.00 0.00 C ATOM 566 CD1 LEU A 417 -2.112 -0.162 3.896 1.00 0.00 C ATOM 567 CD2 LEU A 417 -2.803 -0.999 1.640 1.00 0.00 C ATOM 0 H LEU A 417 -6.601 -1.152 4.578 1.00 0.00 H new ATOM 0 HA LEU A 417 -4.355 0.460 5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 417 -4.457 -1.595 3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 417 -5.289 -0.626 2.571 1.00 0.00 H new ATOM 0 HG LEU A 417 -3.317 0.922 2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 417 -1.168 0.175 3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 417 -2.387 0.488 4.727 1.00 0.00 H new ATOM 0 HD13 LEU A 417 -2.003 -1.185 4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 417 -1.844 -0.665 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 417 -2.718 -2.033 1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 417 -3.560 -0.931 0.859 1.00 0.00 H new ATOM 579 N LEU A 418 -6.656 1.942 3.425 1.00 0.00 N ATOM 580 CA LEU A 418 -7.111 3.269 3.000 1.00 0.00 C ATOM 581 C LEU A 418 -7.279 4.216 4.198 1.00 0.00 C ATOM 582 O LEU A 418 -6.735 5.317 4.181 1.00 0.00 O ATOM 583 CB LEU A 418 -8.415 3.134 2.192 1.00 0.00 C ATOM 584 CG LEU A 418 -8.974 4.480 1.686 1.00 0.00 C ATOM 585 CD1 LEU A 418 -8.020 5.166 0.700 1.00 0.00 C ATOM 586 CD2 LEU A 418 -10.335 4.263 1.023 1.00 0.00 C ATOM 0 H LEU A 418 -7.332 1.198 3.249 1.00 0.00 H new ATOM 0 HA LEU A 418 -6.350 3.713 2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -8.237 2.481 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -9.168 2.648 2.813 1.00 0.00 H new ATOM 0 HG LEU A 418 -9.083 5.135 2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -8.454 6.110 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -7.066 5.358 1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -7.861 4.519 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -10.723 5.218 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -10.225 3.581 0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -11.029 3.836 1.747 1.00 0.00 H new ATOM 598 N GLN A 419 -7.991 3.794 5.245 1.00 0.00 N ATOM 599 CA GLN A 419 -8.212 4.602 6.451 1.00 0.00 C ATOM 600 C GLN A 419 -6.905 4.911 7.202 1.00 0.00 C ATOM 601 O GLN A 419 -6.805 5.949 7.858 1.00 0.00 O ATOM 602 CB GLN A 419 -9.218 3.888 7.367 1.00 0.00 C ATOM 603 CG GLN A 419 -10.667 3.958 6.848 1.00 0.00 C ATOM 604 CD GLN A 419 -11.333 5.334 6.974 1.00 0.00 C ATOM 605 OE1 GLN A 419 -10.769 6.311 7.454 1.00 0.00 O ATOM 606 NE2 GLN A 419 -12.569 5.471 6.538 1.00 0.00 N ATOM 0 H GLN A 419 -8.434 2.876 5.282 1.00 0.00 H new ATOM 0 HA GLN A 419 -8.620 5.564 6.140 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -8.926 2.843 7.471 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -9.173 4.332 8.361 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -10.677 3.661 5.799 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -11.268 3.229 7.392 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -13.059 4.672 6.135 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -13.036 6.376 6.604 1.00 0.00 H new ATOM 615 N MET A 420 -5.883 4.058 7.065 1.00 0.00 N ATOM 616 CA MET A 420 -4.539 4.290 7.603 1.00 0.00 C ATOM 617 C MET A 420 -3.739 5.344 6.815 1.00 0.00 C ATOM 618 O MET A 420 -2.910 6.028 7.416 1.00 0.00 O ATOM 619 CB MET A 420 -3.819 2.932 7.675 1.00 0.00 C ATOM 620 CG MET A 420 -2.372 3.017 8.174 1.00 0.00 C ATOM 621 SD MET A 420 -1.527 1.417 8.243 1.00 0.00 S ATOM 622 CE MET A 420 -2.076 0.870 9.873 1.00 0.00 C ATOM 0 H MET A 420 -5.969 3.171 6.568 1.00 0.00 H new ATOM 0 HA MET A 420 -4.624 4.718 8.602 1.00 0.00 H new ATOM 0 HB2 MET A 420 -4.381 2.269 8.333 1.00 0.00 H new ATOM 0 HB3 MET A 420 -3.824 2.477 6.685 1.00 0.00 H new ATOM 0 HG2 MET A 420 -1.811 3.686 7.521 1.00 0.00 H new ATOM 0 HG3 MET A 420 -2.366 3.464 9.168 1.00 0.00 H new ATOM 0 HE1 MET A 420 -1.848 -0.189 9.997 1.00 0.00 H new ATOM 0 HE2 MET A 420 -1.561 1.445 10.642 1.00 0.00 H new ATOM 0 HE3 MET A 420 -3.151 1.023 9.965 1.00 0.00 H new ATOM 632 N PHE A 421 -3.989 5.514 5.507 1.00 0.00 N ATOM 633 CA PHE A 421 -3.186 6.364 4.610 1.00 0.00 C ATOM 634 C PHE A 421 -3.888 7.652 4.132 1.00 0.00 C ATOM 635 O PHE A 421 -3.208 8.615 3.769 1.00 0.00 O ATOM 636 CB PHE A 421 -2.634 5.508 3.453 1.00 0.00 C ATOM 637 CG PHE A 421 -1.372 4.725 3.808 1.00 0.00 C ATOM 638 CD1 PHE A 421 -1.430 3.628 4.689 1.00 0.00 C ATOM 639 CD2 PHE A 421 -0.122 5.113 3.285 1.00 0.00 C ATOM 640 CE1 PHE A 421 -0.254 2.966 5.085 1.00 0.00 C ATOM 641 CE2 PHE A 421 1.056 4.454 3.681 1.00 0.00 C ATOM 642 CZ PHE A 421 0.992 3.393 4.598 1.00 0.00 C ATOM 0 H PHE A 421 -4.768 5.057 5.034 1.00 0.00 H new ATOM 0 HA PHE A 421 -2.352 6.750 5.197 1.00 0.00 H new ATOM 0 HB2 PHE A 421 -3.405 4.808 3.132 1.00 0.00 H new ATOM 0 HB3 PHE A 421 -2.420 6.157 2.604 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -2.386 3.292 5.064 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -0.068 5.924 2.574 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -0.309 2.128 5.764 1.00 0.00 H new ATOM 0 HE2 PHE A 421 2.009 4.764 3.280 1.00 0.00 H new ATOM 0 HZ PHE A 421 1.898 2.907 4.928 1.00 0.00 H new ATOM 652 N MET A 422 -5.220 7.757 4.213 1.00 0.00 N ATOM 653 CA MET A 422 -5.953 9.005 3.950 1.00 0.00 C ATOM 654 C MET A 422 -5.531 10.231 4.797 1.00 0.00 C ATOM 655 O MET A 422 -5.581 11.336 4.248 1.00 0.00 O ATOM 656 CB MET A 422 -7.457 8.750 4.103 1.00 0.00 C ATOM 657 CG MET A 422 -8.050 8.102 2.847 1.00 0.00 C ATOM 658 SD MET A 422 -9.859 8.149 2.717 1.00 0.00 S ATOM 659 CE MET A 422 -10.332 7.289 4.238 1.00 0.00 C ATOM 0 H MET A 422 -5.825 6.975 4.464 1.00 0.00 H new ATOM 0 HA MET A 422 -5.693 9.281 2.928 1.00 0.00 H new ATOM 0 HB2 MET A 422 -7.631 8.104 4.963 1.00 0.00 H new ATOM 0 HB3 MET A 422 -7.968 9.692 4.303 1.00 0.00 H new ATOM 0 HG2 MET A 422 -7.628 8.596 1.972 1.00 0.00 H new ATOM 0 HG3 MET A 422 -7.728 7.061 2.811 1.00 0.00 H new ATOM 0 HE1 MET A 422 -11.394 7.048 4.204 1.00 0.00 H new ATOM 0 HE2 MET A 422 -9.754 6.370 4.331 1.00 0.00 H new ATOM 0 HE3 MET A 422 -10.133 7.931 5.096 1.00 0.00 H new ATOM 669 N PRO A 423 -5.089 10.097 6.069 1.00 0.00 N ATOM 670 CA PRO A 423 -4.609 11.218 6.883 1.00 0.00 C ATOM 671 C PRO A 423 -3.433 12.023 6.303 1.00 0.00 C ATOM 672 O PRO A 423 -3.197 13.140 6.766 1.00 0.00 O ATOM 673 CB PRO A 423 -4.226 10.608 8.235 1.00 0.00 C ATOM 674 CG PRO A 423 -5.178 9.423 8.359 1.00 0.00 C ATOM 675 CD PRO A 423 -5.259 8.925 6.920 1.00 0.00 C ATOM 0 HA PRO A 423 -5.406 11.960 6.940 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.183 10.292 8.254 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.358 11.319 9.051 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.792 8.659 9.033 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -6.154 9.722 8.742 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.484 8.185 6.721 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -6.217 8.442 6.729 1.00 0.00 H new ATOM 683 N PHE A 424 -2.708 11.499 5.303 1.00 0.00 N ATOM 684 CA PHE A 424 -1.526 12.150 4.714 1.00 0.00 C ATOM 685 C PHE A 424 -1.814 12.869 3.385 1.00 0.00 C ATOM 686 O PHE A 424 -0.971 13.634 2.909 1.00 0.00 O ATOM 687 CB PHE A 424 -0.406 11.112 4.567 1.00 0.00 C ATOM 688 CG PHE A 424 -0.224 10.246 5.799 1.00 0.00 C ATOM 689 CD1 PHE A 424 0.122 10.830 7.031 1.00 0.00 C ATOM 690 CD2 PHE A 424 -0.494 8.869 5.731 1.00 0.00 C ATOM 691 CE1 PHE A 424 0.183 10.040 8.192 1.00 0.00 C ATOM 692 CE2 PHE A 424 -0.404 8.074 6.884 1.00 0.00 C ATOM 693 CZ PHE A 424 -0.083 8.661 8.119 1.00 0.00 C ATOM 0 H PHE A 424 -2.928 10.600 4.875 1.00 0.00 H new ATOM 0 HA PHE A 424 -1.210 12.941 5.394 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -0.623 10.473 3.711 1.00 0.00 H new ATOM 0 HB3 PHE A 424 0.531 11.626 4.352 1.00 0.00 H new ATOM 0 HD1 PHE A 424 0.341 11.886 7.085 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -0.772 8.421 4.788 1.00 0.00 H new ATOM 0 HE1 PHE A 424 0.434 10.492 9.140 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -0.582 7.011 6.822 1.00 0.00 H new ATOM 0 HZ PHE A 424 -0.041 8.054 9.011 1.00 0.00 H new ATOM 703 N GLY A 425 -3.008 12.669 2.813 1.00 0.00 N ATOM 704 CA GLY A 425 -3.524 13.410 1.653 1.00 0.00 C ATOM 705 C GLY A 425 -4.418 12.598 0.714 1.00 0.00 C ATOM 706 O GLY A 425 -4.940 11.544 1.075 1.00 0.00 O ATOM 0 H GLY A 425 -3.663 11.965 3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 425 -4.087 14.271 2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 425 -2.679 13.797 1.083 1.00 0.00 H new ATOM 710 N ASN A 426 -4.619 13.115 -0.503 1.00 0.00 N ATOM 711 CA ASN A 426 -5.547 12.561 -1.494 1.00 0.00 C ATOM 712 C ASN A 426 -5.057 11.217 -2.078 1.00 0.00 C ATOM 713 O ASN A 426 -4.214 11.191 -2.980 1.00 0.00 O ATOM 714 CB ASN A 426 -5.795 13.616 -2.587 1.00 0.00 C ATOM 715 CG ASN A 426 -6.833 13.183 -3.625 1.00 0.00 C ATOM 716 OD1 ASN A 426 -7.589 12.238 -3.437 1.00 0.00 O ATOM 717 ND2 ASN A 426 -6.903 13.872 -4.749 1.00 0.00 N ATOM 0 H ASN A 426 -4.131 13.948 -0.833 1.00 0.00 H new ATOM 0 HA ASN A 426 -6.491 12.330 -1.001 1.00 0.00 H new ATOM 0 HB2 ASN A 426 -6.125 14.543 -2.119 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -4.854 13.832 -3.093 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -7.587 13.617 -5.461 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -6.273 14.659 -4.905 1.00 0.00 H new ATOM 724 N VAL A 427 -5.600 10.106 -1.568 1.00 0.00 N ATOM 725 CA VAL A 427 -5.313 8.735 -2.024 1.00 0.00 C ATOM 726 C VAL A 427 -6.104 8.430 -3.307 1.00 0.00 C ATOM 727 O VAL A 427 -7.320 8.610 -3.362 1.00 0.00 O ATOM 728 CB VAL A 427 -5.618 7.686 -0.922 1.00 0.00 C ATOM 729 CG1 VAL A 427 -5.374 6.252 -1.420 1.00 0.00 C ATOM 730 CG2 VAL A 427 -4.743 7.895 0.326 1.00 0.00 C ATOM 0 H VAL A 427 -6.273 10.134 -0.802 1.00 0.00 H new ATOM 0 HA VAL A 427 -4.247 8.669 -2.242 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.669 7.823 -0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -5.598 5.546 -0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -6.019 6.049 -2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -4.331 6.143 -1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -4.988 7.140 1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.692 7.807 0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -4.928 8.887 0.738 1.00 0.00 H new ATOM 740 N VAL A 428 -5.390 7.950 -4.325 1.00 0.00 N ATOM 741 CA VAL A 428 -5.877 7.570 -5.666 1.00 0.00 C ATOM 742 C VAL A 428 -6.091 6.048 -5.787 1.00 0.00 C ATOM 743 O VAL A 428 -6.916 5.602 -6.583 1.00 0.00 O ATOM 744 CB VAL A 428 -4.875 8.077 -6.739 1.00 0.00 C ATOM 745 CG1 VAL A 428 -5.126 7.534 -8.158 1.00 0.00 C ATOM 746 CG2 VAL A 428 -4.901 9.614 -6.803 1.00 0.00 C ATOM 0 H VAL A 428 -4.385 7.803 -4.236 1.00 0.00 H new ATOM 0 HA VAL A 428 -6.848 8.038 -5.827 1.00 0.00 H new ATOM 0 HB VAL A 428 -3.904 7.700 -6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -4.380 7.941 -8.840 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -5.055 6.446 -8.149 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -6.121 7.830 -8.490 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -4.195 9.959 -7.558 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -5.904 9.950 -7.064 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -4.622 10.023 -5.832 1.00 0.00 H new ATOM 756 N SER A 429 -5.402 5.242 -4.975 1.00 0.00 N ATOM 757 CA SER A 429 -5.511 3.776 -4.959 1.00 0.00 C ATOM 758 C SER A 429 -5.064 3.214 -3.605 1.00 0.00 C ATOM 759 O SER A 429 -4.123 3.744 -3.011 1.00 0.00 O ATOM 760 CB SER A 429 -4.638 3.182 -6.065 1.00 0.00 C ATOM 761 OG SER A 429 -4.930 1.815 -6.278 1.00 0.00 O ATOM 0 H SER A 429 -4.734 5.598 -4.291 1.00 0.00 H new ATOM 0 HA SER A 429 -6.554 3.506 -5.125 1.00 0.00 H new ATOM 0 HB2 SER A 429 -4.794 3.737 -6.990 1.00 0.00 H new ATOM 0 HB3 SER A 429 -3.587 3.293 -5.800 1.00 0.00 H new ATOM 0 HG SER A 429 -4.420 1.488 -7.048 1.00 0.00 H new ATOM 767 N ALA A 430 -5.713 2.145 -3.130 1.00 0.00 N ATOM 768 CA ALA A 430 -5.356 1.414 -1.912 1.00 0.00 C ATOM 769 C ALA A 430 -5.777 -0.063 -2.015 1.00 0.00 C ATOM 770 O ALA A 430 -6.923 -0.377 -2.349 1.00 0.00 O ATOM 771 CB ALA A 430 -6.003 2.099 -0.700 1.00 0.00 C ATOM 0 H ALA A 430 -6.529 1.753 -3.600 1.00 0.00 H new ATOM 0 HA ALA A 430 -4.273 1.430 -1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 430 -5.739 1.557 0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 430 -5.644 3.125 -0.627 1.00 0.00 H new ATOM 0 HB3 ALA A 430 -7.086 2.102 -0.819 1.00 0.00 H new ATOM 777 N LYS A 431 -4.855 -0.979 -1.711 1.00 0.00 N ATOM 778 CA LYS A 431 -5.063 -2.423 -1.868 1.00 0.00 C ATOM 779 C LYS A 431 -4.152 -3.258 -0.946 1.00 0.00 C ATOM 780 O LYS A 431 -2.946 -3.038 -0.911 1.00 0.00 O ATOM 781 CB LYS A 431 -4.790 -2.791 -3.347 1.00 0.00 C ATOM 782 CG LYS A 431 -5.193 -4.227 -3.733 1.00 0.00 C ATOM 783 CD LYS A 431 -6.693 -4.335 -4.042 1.00 0.00 C ATOM 784 CE LYS A 431 -7.180 -5.792 -4.111 1.00 0.00 C ATOM 785 NZ LYS A 431 -7.422 -6.375 -2.763 1.00 0.00 N ATOM 0 H LYS A 431 -3.934 -0.738 -1.345 1.00 0.00 H new ATOM 0 HA LYS A 431 -6.090 -2.654 -1.585 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -5.328 -2.092 -3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -3.728 -2.658 -3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -4.619 -4.544 -4.604 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -4.940 -4.907 -2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -7.257 -3.803 -3.276 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -6.901 -3.841 -4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -8.100 -5.837 -4.694 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -6.440 -6.395 -4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -7.683 -7.377 -2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -6.557 -6.296 -2.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -8.195 -5.860 -2.296 1.00 0.00 H new ATOM 799 N VAL A 432 -4.707 -4.247 -0.251 1.00 0.00 N ATOM 800 CA VAL A 432 -3.978 -5.304 0.472 1.00 0.00 C ATOM 801 C VAL A 432 -4.042 -6.564 -0.396 1.00 0.00 C ATOM 802 O VAL A 432 -5.105 -6.895 -0.927 1.00 0.00 O ATOM 803 CB VAL A 432 -4.588 -5.584 1.865 1.00 0.00 C ATOM 804 CG1 VAL A 432 -3.812 -6.695 2.598 1.00 0.00 C ATOM 805 CG2 VAL A 432 -4.584 -4.328 2.746 1.00 0.00 C ATOM 0 H VAL A 432 -5.719 -4.345 -0.168 1.00 0.00 H new ATOM 0 HA VAL A 432 -2.949 -4.987 0.645 1.00 0.00 H new ATOM 0 HB VAL A 432 -5.617 -5.902 1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 432 -4.263 -6.870 3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 432 -3.849 -7.613 2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 432 -2.774 -6.389 2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 432 -5.020 -4.563 3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 432 -3.559 -3.983 2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 432 -5.170 -3.545 2.265 1.00 0.00 H new ATOM 815 N PHE A 433 -2.914 -7.257 -0.558 1.00 0.00 N ATOM 816 CA PHE A 433 -2.838 -8.501 -1.328 1.00 0.00 C ATOM 817 C PHE A 433 -3.229 -9.701 -0.449 1.00 0.00 C ATOM 818 O PHE A 433 -2.896 -9.751 0.735 1.00 0.00 O ATOM 819 CB PHE A 433 -1.436 -8.631 -1.939 1.00 0.00 C ATOM 820 CG PHE A 433 -1.104 -7.506 -2.906 1.00 0.00 C ATOM 821 CD1 PHE A 433 -1.609 -7.527 -4.220 1.00 0.00 C ATOM 822 CD2 PHE A 433 -0.319 -6.417 -2.485 1.00 0.00 C ATOM 823 CE1 PHE A 433 -1.328 -6.468 -5.104 1.00 0.00 C ATOM 824 CE2 PHE A 433 -0.029 -5.363 -3.368 1.00 0.00 C ATOM 825 CZ PHE A 433 -0.537 -5.385 -4.678 1.00 0.00 C ATOM 0 H PHE A 433 -2.021 -6.970 -0.156 1.00 0.00 H new ATOM 0 HA PHE A 433 -3.553 -8.482 -2.151 1.00 0.00 H new ATOM 0 HB2 PHE A 433 -0.696 -8.645 -1.138 1.00 0.00 H new ATOM 0 HB3 PHE A 433 -1.360 -9.585 -2.460 1.00 0.00 H new ATOM 0 HD1 PHE A 433 -2.214 -8.358 -4.551 1.00 0.00 H new ATOM 0 HD2 PHE A 433 0.064 -6.391 -1.475 1.00 0.00 H new ATOM 0 HE1 PHE A 433 -1.720 -6.487 -6.110 1.00 0.00 H new ATOM 0 HE2 PHE A 433 0.584 -4.537 -3.040 1.00 0.00 H new ATOM 0 HZ PHE A 433 -0.321 -4.573 -5.356 1.00 0.00 H new ATOM 963 N LYS A 442 -1.556 -11.126 2.890 1.00 0.00 N ATOM 964 CA LYS A 442 -0.149 -11.537 2.779 1.00 0.00 C ATOM 965 C LYS A 442 0.810 -10.704 3.662 1.00 0.00 C ATOM 966 O LYS A 442 2.032 -10.813 3.529 1.00 0.00 O ATOM 967 CB LYS A 442 0.262 -11.506 1.293 1.00 0.00 C ATOM 968 CG LYS A 442 -0.540 -12.478 0.411 1.00 0.00 C ATOM 969 CD LYS A 442 0.000 -12.464 -1.025 1.00 0.00 C ATOM 970 CE LYS A 442 -0.804 -13.426 -1.909 1.00 0.00 C ATOM 971 NZ LYS A 442 -0.276 -13.473 -3.299 1.00 0.00 N ATOM 0 HA LYS A 442 -0.063 -12.553 3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 442 0.135 -10.493 0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.322 -11.747 1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 442 -0.478 -13.486 0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 442 -1.593 -12.197 0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 442 -0.056 -11.454 -1.431 1.00 0.00 H new ATOM 0 HD3 LYS A 442 1.052 -12.751 -1.028 1.00 0.00 H new ATOM 0 HE2 LYS A 442 -0.777 -14.426 -1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 442 -1.849 -13.115 -1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 -0.846 -14.134 -3.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 -0.325 -12.524 -3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 0.713 -13.794 -3.284 1.00 0.00 H new ATOM 985 N CYS A 443 0.261 -9.826 4.511 1.00 0.00 N ATOM 986 CA CYS A 443 0.962 -8.804 5.305 1.00 0.00 C ATOM 987 C CYS A 443 1.659 -7.735 4.437 1.00 0.00 C ATOM 988 O CYS A 443 2.559 -7.051 4.924 1.00 0.00 O ATOM 989 CB CYS A 443 1.911 -9.452 6.332 1.00 0.00 C ATOM 990 SG CYS A 443 1.001 -10.595 7.413 1.00 0.00 S ATOM 0 H CYS A 443 -0.746 -9.808 4.673 1.00 0.00 H new ATOM 0 HA CYS A 443 0.201 -8.261 5.865 1.00 0.00 H new ATOM 0 HB2 CYS A 443 2.705 -9.989 5.813 1.00 0.00 H new ATOM 0 HB3 CYS A 443 2.389 -8.678 6.932 1.00 0.00 H new ATOM 0 HG CYS A 443 0.346 -9.917 8.308 1.00 0.00 H new ATOM 996 N PHE A 444 1.246 -7.548 3.179 1.00 0.00 N ATOM 997 CA PHE A 444 1.738 -6.470 2.318 1.00 0.00 C ATOM 998 C PHE A 444 0.649 -5.923 1.386 1.00 0.00 C ATOM 999 O PHE A 444 -0.343 -6.595 1.089 1.00 0.00 O ATOM 1000 CB PHE A 444 3.027 -6.886 1.583 1.00 0.00 C ATOM 1001 CG PHE A 444 2.872 -7.867 0.435 1.00 0.00 C ATOM 1002 CD1 PHE A 444 2.586 -7.395 -0.860 1.00 0.00 C ATOM 1003 CD2 PHE A 444 3.079 -9.244 0.642 1.00 0.00 C ATOM 1004 CE1 PHE A 444 2.475 -8.296 -1.935 1.00 0.00 C ATOM 1005 CE2 PHE A 444 2.981 -10.143 -0.436 1.00 0.00 C ATOM 1006 CZ PHE A 444 2.668 -9.672 -1.722 1.00 0.00 C ATOM 0 H PHE A 444 0.555 -8.146 2.727 1.00 0.00 H new ATOM 0 HA PHE A 444 2.008 -5.631 2.959 1.00 0.00 H new ATOM 0 HB2 PHE A 444 3.505 -5.985 1.198 1.00 0.00 H new ATOM 0 HB3 PHE A 444 3.709 -7.322 2.313 1.00 0.00 H new ATOM 0 HD1 PHE A 444 2.451 -6.337 -1.029 1.00 0.00 H new ATOM 0 HD2 PHE A 444 3.314 -9.611 1.630 1.00 0.00 H new ATOM 0 HE1 PHE A 444 2.241 -7.930 -2.924 1.00 0.00 H new ATOM 0 HE2 PHE A 444 3.147 -11.198 -0.274 1.00 0.00 H new ATOM 0 HZ PHE A 444 2.576 -10.365 -2.545 1.00 0.00 H new ATOM 1016 N GLY A 445 0.833 -4.669 0.971 1.00 0.00 N ATOM 1017 CA GLY A 445 -0.138 -3.856 0.240 1.00 0.00 C ATOM 1018 C GLY A 445 0.501 -2.747 -0.595 1.00 0.00 C ATOM 1019 O GLY A 445 1.720 -2.573 -0.618 1.00 0.00 O ATOM 0 H GLY A 445 1.705 -4.169 1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -0.722 -4.503 -0.415 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -0.834 -3.410 0.950 1.00 0.00 H new ATOM 1023 N PHE A 446 -0.352 -1.990 -1.276 1.00 0.00 N ATOM 1024 CA PHE A 446 -0.012 -0.908 -2.194 1.00 0.00 C ATOM 1025 C PHE A 446 -0.939 0.293 -1.965 1.00 0.00 C ATOM 1026 O PHE A 446 -2.132 0.116 -1.713 1.00 0.00 O ATOM 1027 CB PHE A 446 -0.130 -1.432 -3.634 1.00 0.00 C ATOM 1028 CG PHE A 446 0.203 -0.406 -4.699 1.00 0.00 C ATOM 1029 CD1 PHE A 446 1.534 0.026 -4.846 1.00 0.00 C ATOM 1030 CD2 PHE A 446 -0.798 0.124 -5.538 1.00 0.00 C ATOM 1031 CE1 PHE A 446 1.873 0.975 -5.822 1.00 0.00 C ATOM 1032 CE2 PHE A 446 -0.453 1.066 -6.523 1.00 0.00 C ATOM 1033 CZ PHE A 446 0.881 1.486 -6.672 1.00 0.00 C ATOM 0 H PHE A 446 -1.360 -2.123 -1.197 1.00 0.00 H new ATOM 0 HA PHE A 446 1.010 -0.573 -2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 446 0.533 -2.289 -3.752 1.00 0.00 H new ATOM 0 HB3 PHE A 446 -1.147 -1.790 -3.796 1.00 0.00 H new ATOM 0 HD1 PHE A 446 2.302 -0.377 -4.202 1.00 0.00 H new ATOM 0 HD2 PHE A 446 -1.825 -0.192 -5.425 1.00 0.00 H new ATOM 0 HE1 PHE A 446 2.895 1.311 -5.919 1.00 0.00 H new ATOM 0 HE2 PHE A 446 -1.218 1.470 -7.170 1.00 0.00 H new ATOM 0 HZ PHE A 446 1.141 2.200 -7.439 1.00 0.00 H new ATOM 1043 N VAL A 447 -0.394 1.506 -2.067 1.00 0.00 N ATOM 1044 CA VAL A 447 -1.127 2.777 -1.947 1.00 0.00 C ATOM 1045 C VAL A 447 -0.557 3.767 -2.964 1.00 0.00 C ATOM 1046 O VAL A 447 0.649 3.793 -3.182 1.00 0.00 O ATOM 1047 CB VAL A 447 -1.046 3.371 -0.515 1.00 0.00 C ATOM 1048 CG1 VAL A 447 -1.755 4.733 -0.387 1.00 0.00 C ATOM 1049 CG2 VAL A 447 -1.662 2.430 0.537 1.00 0.00 C ATOM 0 H VAL A 447 0.602 1.640 -2.241 1.00 0.00 H new ATOM 0 HA VAL A 447 -2.181 2.587 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 447 0.021 3.499 -0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 447 -1.663 5.096 0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 447 -1.294 5.448 -1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 447 -2.809 4.619 -0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 447 -1.583 2.886 1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 447 -2.712 2.257 0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 447 -1.128 1.480 0.533 1.00 0.00 H new ATOM 1059 N SER A 448 -1.398 4.600 -3.573 1.00 0.00 N ATOM 1060 CA SER A 448 -0.949 5.704 -4.437 1.00 0.00 C ATOM 1061 C SER A 448 -1.720 6.999 -4.188 1.00 0.00 C ATOM 1062 O SER A 448 -2.911 6.971 -3.882 1.00 0.00 O ATOM 1063 CB SER A 448 -1.092 5.344 -5.919 1.00 0.00 C ATOM 1064 OG SER A 448 -0.072 4.458 -6.335 1.00 0.00 O ATOM 0 H SER A 448 -2.412 4.534 -3.485 1.00 0.00 H new ATOM 0 HA SER A 448 0.099 5.863 -4.184 1.00 0.00 H new ATOM 0 HB2 SER A 448 -2.066 4.887 -6.092 1.00 0.00 H new ATOM 0 HB3 SER A 448 -1.055 6.252 -6.521 1.00 0.00 H new ATOM 0 HG SER A 448 -0.391 3.534 -6.263 1.00 0.00 H new ATOM 1070 N TYR A 449 -1.053 8.137 -4.383 1.00 0.00 N ATOM 1071 CA TYR A 449 -1.595 9.488 -4.190 1.00 0.00 C ATOM 1072 C TYR A 449 -1.674 10.301 -5.495 1.00 0.00 C ATOM 1073 O TYR A 449 -1.129 9.920 -6.532 1.00 0.00 O ATOM 1074 CB TYR A 449 -0.722 10.233 -3.167 1.00 0.00 C ATOM 1075 CG TYR A 449 -0.802 9.698 -1.755 1.00 0.00 C ATOM 1076 CD1 TYR A 449 -0.022 8.591 -1.371 1.00 0.00 C ATOM 1077 CD2 TYR A 449 -1.676 10.302 -0.829 1.00 0.00 C ATOM 1078 CE1 TYR A 449 -0.097 8.105 -0.055 1.00 0.00 C ATOM 1079 CE2 TYR A 449 -1.761 9.815 0.487 1.00 0.00 C ATOM 1080 CZ TYR A 449 -0.965 8.715 0.873 1.00 0.00 C ATOM 1081 OH TYR A 449 -1.042 8.220 2.131 1.00 0.00 O ATOM 0 H TYR A 449 -0.081 8.146 -4.692 1.00 0.00 H new ATOM 0 HA TYR A 449 -2.617 9.381 -3.828 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.316 10.192 -3.498 1.00 0.00 H new ATOM 0 HB3 TYR A 449 -1.013 11.284 -3.159 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.633 8.116 -2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 449 -2.283 11.142 -1.132 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.510 7.264 0.246 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -2.430 10.279 1.197 1.00 0.00 H new ATOM 0 HH TYR A 449 -1.903 8.467 2.528 1.00 0.00 H new ATOM 1091 N ASP A 450 -2.316 11.468 -5.420 1.00 0.00 N ATOM 1092 CA ASP A 450 -2.331 12.501 -6.466 1.00 0.00 C ATOM 1093 C ASP A 450 -0.930 13.069 -6.789 1.00 0.00 C ATOM 1094 O ASP A 450 -0.701 13.565 -7.893 1.00 0.00 O ATOM 1095 CB ASP A 450 -3.275 13.613 -5.979 1.00 0.00 C ATOM 1096 CG ASP A 450 -3.239 14.879 -6.850 1.00 0.00 C ATOM 1097 OD1 ASP A 450 -3.922 14.908 -7.901 1.00 0.00 O ATOM 1098 OD2 ASP A 450 -2.547 15.848 -6.451 1.00 0.00 O ATOM 0 H ASP A 450 -2.861 11.733 -4.600 1.00 0.00 H new ATOM 0 HA ASP A 450 -2.676 12.059 -7.400 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -4.294 13.228 -5.955 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -3.011 13.879 -4.955 1.00 0.00 H new ATOM 1103 N ASN A 451 0.013 12.976 -5.844 1.00 0.00 N ATOM 1104 CA ASN A 451 1.341 13.595 -5.911 1.00 0.00 C ATOM 1105 C ASN A 451 2.334 12.946 -4.926 1.00 0.00 C ATOM 1106 O ASN A 451 1.908 12.328 -3.942 1.00 0.00 O ATOM 1107 CB ASN A 451 1.218 15.107 -5.633 1.00 0.00 C ATOM 1108 CG ASN A 451 0.607 15.413 -4.275 1.00 0.00 C ATOM 1109 OD1 ASN A 451 1.283 15.284 -3.265 1.00 0.00 O ATOM 1110 ND2 ASN A 451 -0.647 15.814 -4.204 1.00 0.00 N ATOM 0 H ASN A 451 -0.133 12.450 -4.983 1.00 0.00 H new ATOM 0 HA ASN A 451 1.737 13.436 -6.914 1.00 0.00 H new ATOM 0 HB2 ASN A 451 2.206 15.563 -5.692 1.00 0.00 H new ATOM 0 HB3 ASN A 451 0.608 15.566 -6.411 1.00 0.00 H new ATOM 0 HD21 ASN A 451 -1.066 16.021 -3.297 1.00 0.00 H new ATOM 0 HD22 ASN A 451 -1.199 15.917 -5.056 1.00 0.00 H new ATOM 1117 N PRO A 452 3.654 13.128 -5.134 1.00 0.00 N ATOM 1118 CA PRO A 452 4.667 12.635 -4.211 1.00 0.00 C ATOM 1119 C PRO A 452 4.708 13.380 -2.870 1.00 0.00 C ATOM 1120 O PRO A 452 5.317 12.853 -1.943 1.00 0.00 O ATOM 1121 CB PRO A 452 6.001 12.745 -4.956 1.00 0.00 C ATOM 1122 CG PRO A 452 5.769 13.861 -5.966 1.00 0.00 C ATOM 1123 CD PRO A 452 4.288 13.721 -6.308 1.00 0.00 C ATOM 0 HA PRO A 452 4.435 11.608 -3.929 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.819 12.985 -4.277 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.261 11.808 -5.449 1.00 0.00 H new ATOM 0 HG2 PRO A 452 5.994 14.840 -5.543 1.00 0.00 H new ATOM 0 HG3 PRO A 452 6.399 13.743 -6.848 1.00 0.00 H new ATOM 0 HD2 PRO A 452 3.848 14.691 -6.540 1.00 0.00 H new ATOM 0 HD3 PRO A 452 4.149 13.090 -7.186 1.00 0.00 H new ATOM 1131 N VAL A 453 4.069 14.551 -2.708 1.00 0.00 N ATOM 1132 CA VAL A 453 4.150 15.304 -1.435 1.00 0.00 C ATOM 1133 C VAL A 453 3.294 14.630 -0.353 1.00 0.00 C ATOM 1134 O VAL A 453 3.773 14.379 0.754 1.00 0.00 O ATOM 1135 CB VAL A 453 3.772 16.797 -1.596 1.00 0.00 C ATOM 1136 CG1 VAL A 453 3.990 17.571 -0.286 1.00 0.00 C ATOM 1137 CG2 VAL A 453 4.600 17.470 -2.707 1.00 0.00 C ATOM 0 H VAL A 453 3.498 14.995 -3.427 1.00 0.00 H new ATOM 0 HA VAL A 453 5.193 15.283 -1.120 1.00 0.00 H new ATOM 0 HB VAL A 453 2.716 16.824 -1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 453 3.716 18.616 -0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 453 3.370 17.139 0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 453 5.039 17.508 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 453 4.310 18.517 -2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 453 5.660 17.407 -2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 453 4.417 16.963 -3.655 1.00 0.00 H new ATOM 1147 N SER A 454 2.059 14.247 -0.690 1.00 0.00 N ATOM 1148 CA SER A 454 1.162 13.476 0.185 1.00 0.00 C ATOM 1149 C SER A 454 1.698 12.060 0.452 1.00 0.00 C ATOM 1150 O SER A 454 1.501 11.502 1.533 1.00 0.00 O ATOM 1151 CB SER A 454 -0.220 13.365 -0.472 1.00 0.00 C ATOM 1152 OG SER A 454 -0.781 14.643 -0.745 1.00 0.00 O ATOM 0 H SER A 454 1.644 14.467 -1.595 1.00 0.00 H new ATOM 0 HA SER A 454 1.097 14.002 1.137 1.00 0.00 H new ATOM 0 HB2 SER A 454 -0.137 12.799 -1.400 1.00 0.00 H new ATOM 0 HB3 SER A 454 -0.889 12.807 0.182 1.00 0.00 H new ATOM 0 HG SER A 454 -0.316 15.048 -1.507 1.00 0.00 H new ATOM 1158 N ALA A 455 2.428 11.495 -0.516 1.00 0.00 N ATOM 1159 CA ALA A 455 3.019 10.166 -0.422 1.00 0.00 C ATOM 1160 C ALA A 455 4.243 10.145 0.508 1.00 0.00 C ATOM 1161 O ALA A 455 4.304 9.325 1.421 1.00 0.00 O ATOM 1162 CB ALA A 455 3.343 9.711 -1.847 1.00 0.00 C ATOM 0 H ALA A 455 2.625 11.962 -1.401 1.00 0.00 H new ATOM 0 HA ALA A 455 2.318 9.466 0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 455 3.789 8.717 -1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 455 2.427 9.681 -2.437 1.00 0.00 H new ATOM 0 HB3 ALA A 455 4.045 10.410 -2.302 1.00 0.00 H new ATOM 1168 N GLN A 456 5.182 11.083 0.347 1.00 0.00 N ATOM 1169 CA GLN A 456 6.350 11.222 1.228 1.00 0.00 C ATOM 1170 C GLN A 456 5.947 11.527 2.677 1.00 0.00 C ATOM 1171 O GLN A 456 6.612 11.063 3.605 1.00 0.00 O ATOM 1172 CB GLN A 456 7.282 12.323 0.688 1.00 0.00 C ATOM 1173 CG GLN A 456 8.103 11.882 -0.539 1.00 0.00 C ATOM 1174 CD GLN A 456 9.228 10.890 -0.222 1.00 0.00 C ATOM 1175 OE1 GLN A 456 9.503 10.530 0.917 1.00 0.00 O ATOM 1176 NE2 GLN A 456 9.932 10.406 -1.224 1.00 0.00 N ATOM 0 H GLN A 456 5.154 11.773 -0.404 1.00 0.00 H new ATOM 0 HA GLN A 456 6.877 10.268 1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 456 6.685 13.196 0.422 1.00 0.00 H new ATOM 0 HB3 GLN A 456 7.964 12.632 1.480 1.00 0.00 H new ATOM 0 HG2 GLN A 456 7.431 11.430 -1.268 1.00 0.00 H new ATOM 0 HG3 GLN A 456 8.535 12.765 -1.009 1.00 0.00 H new ATOM 0 HE21 GLN A 456 9.721 10.691 -2.180 1.00 0.00 H new ATOM 0 HE22 GLN A 456 10.688 9.746 -1.044 1.00 0.00 H new ATOM 1185 N ALA A 457 4.841 12.248 2.894 1.00 0.00 N ATOM 1186 CA ALA A 457 4.275 12.466 4.226 1.00 0.00 C ATOM 1187 C ALA A 457 3.789 11.160 4.885 1.00 0.00 C ATOM 1188 O ALA A 457 3.886 11.027 6.107 1.00 0.00 O ATOM 1189 CB ALA A 457 3.147 13.497 4.108 1.00 0.00 C ATOM 0 H ALA A 457 4.313 12.698 2.146 1.00 0.00 H new ATOM 0 HA ALA A 457 5.056 12.846 4.884 1.00 0.00 H new ATOM 0 HB1 ALA A 457 2.711 13.674 5.091 1.00 0.00 H new ATOM 0 HB2 ALA A 457 3.548 14.431 3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 457 2.379 13.120 3.433 1.00 0.00 H new ATOM 1195 N ALA A 458 3.335 10.177 4.099 1.00 0.00 N ATOM 1196 CA ALA A 458 2.951 8.860 4.595 1.00 0.00 C ATOM 1197 C ALA A 458 4.177 7.992 4.911 1.00 0.00 C ATOM 1198 O ALA A 458 4.223 7.383 5.978 1.00 0.00 O ATOM 1199 CB ALA A 458 2.027 8.194 3.573 1.00 0.00 C ATOM 0 H ALA A 458 3.224 10.280 3.090 1.00 0.00 H new ATOM 0 HA ALA A 458 2.413 8.975 5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 458 1.734 7.208 3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 458 1.137 8.808 3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 458 2.550 8.091 2.622 1.00 0.00 H new ATOM 1205 N ILE A 459 5.206 7.988 4.049 1.00 0.00 N ATOM 1206 CA ILE A 459 6.461 7.244 4.309 1.00 0.00 C ATOM 1207 C ILE A 459 7.103 7.725 5.617 1.00 0.00 C ATOM 1208 O ILE A 459 7.447 6.911 6.471 1.00 0.00 O ATOM 1209 CB ILE A 459 7.474 7.339 3.138 1.00 0.00 C ATOM 1210 CG1 ILE A 459 6.833 6.982 1.781 1.00 0.00 C ATOM 1211 CG2 ILE A 459 8.674 6.405 3.403 1.00 0.00 C ATOM 1212 CD1 ILE A 459 7.793 7.131 0.598 1.00 0.00 C ATOM 0 H ILE A 459 5.199 8.491 3.162 1.00 0.00 H new ATOM 0 HA ILE A 459 6.192 6.192 4.402 1.00 0.00 H new ATOM 0 HB ILE A 459 7.810 8.375 3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 459 6.470 5.955 1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 459 5.965 7.621 1.618 1.00 0.00 H new ATOM 0 HG21 ILE A 459 9.381 6.477 2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 459 9.167 6.700 4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 459 8.322 5.377 3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 459 7.278 6.864 -0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 459 8.137 8.164 0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 459 8.649 6.472 0.739 1.00 0.00 H new ATOM 1224 N GLN A 460 7.195 9.043 5.807 1.00 0.00 N ATOM 1225 CA GLN A 460 7.801 9.656 6.996 1.00 0.00 C ATOM 1226 C GLN A 460 6.950 9.501 8.271 1.00 0.00 C ATOM 1227 O GLN A 460 7.457 9.734 9.369 1.00 0.00 O ATOM 1228 CB GLN A 460 8.081 11.140 6.707 1.00 0.00 C ATOM 1229 CG GLN A 460 9.202 11.339 5.672 1.00 0.00 C ATOM 1230 CD GLN A 460 9.300 12.799 5.230 1.00 0.00 C ATOM 1231 OE1 GLN A 460 10.155 13.563 5.663 1.00 0.00 O ATOM 1232 NE2 GLN A 460 8.415 13.241 4.360 1.00 0.00 N ATOM 0 H GLN A 460 6.847 9.725 5.133 1.00 0.00 H new ATOM 0 HA GLN A 460 8.731 9.125 7.198 1.00 0.00 H new ATOM 0 HB2 GLN A 460 7.169 11.614 6.345 1.00 0.00 H new ATOM 0 HB3 GLN A 460 8.355 11.642 7.635 1.00 0.00 H new ATOM 0 HG2 GLN A 460 10.154 11.022 6.098 1.00 0.00 H new ATOM 0 HG3 GLN A 460 9.015 10.706 4.804 1.00 0.00 H new ATOM 0 HE21 GLN A 460 7.700 12.611 3.995 1.00 0.00 H new ATOM 0 HE22 GLN A 460 8.445 14.213 4.051 1.00 0.00 H new ATOM 1241 N SER A 461 5.684 9.084 8.162 1.00 0.00 N ATOM 1242 CA SER A 461 4.791 8.864 9.313 1.00 0.00 C ATOM 1243 C SER A 461 4.598 7.380 9.667 1.00 0.00 C ATOM 1244 O SER A 461 4.400 7.056 10.842 1.00 0.00 O ATOM 1245 CB SER A 461 3.416 9.491 9.041 1.00 0.00 C ATOM 1246 OG SER A 461 3.503 10.897 8.856 1.00 0.00 O ATOM 0 H SER A 461 5.242 8.887 7.264 1.00 0.00 H new ATOM 0 HA SER A 461 5.276 9.341 10.165 1.00 0.00 H new ATOM 0 HB2 SER A 461 2.978 9.034 8.154 1.00 0.00 H new ATOM 0 HB3 SER A 461 2.747 9.275 9.874 1.00 0.00 H new ATOM 0 HG SER A 461 3.660 11.093 7.909 1.00 0.00 H new ATOM 1252 N MET A 462 4.678 6.475 8.680 1.00 0.00 N ATOM 1253 CA MET A 462 4.288 5.062 8.826 1.00 0.00 C ATOM 1254 C MET A 462 5.438 4.060 8.705 1.00 0.00 C ATOM 1255 O MET A 462 5.305 2.930 9.177 1.00 0.00 O ATOM 1256 CB MET A 462 3.200 4.723 7.797 1.00 0.00 C ATOM 1257 CG MET A 462 1.950 5.604 7.936 1.00 0.00 C ATOM 1258 SD MET A 462 1.260 5.756 9.610 1.00 0.00 S ATOM 1259 CE MET A 462 0.713 4.063 9.886 1.00 0.00 C ATOM 0 H MET A 462 5.019 6.705 7.747 1.00 0.00 H new ATOM 0 HA MET A 462 3.918 4.962 9.846 1.00 0.00 H new ATOM 0 HB2 MET A 462 3.609 4.837 6.793 1.00 0.00 H new ATOM 0 HB3 MET A 462 2.915 3.677 7.908 1.00 0.00 H new ATOM 0 HG2 MET A 462 2.192 6.603 7.573 1.00 0.00 H new ATOM 0 HG3 MET A 462 1.175 5.206 7.281 1.00 0.00 H new ATOM 0 HE1 MET A 462 -0.031 4.046 10.682 1.00 0.00 H new ATOM 0 HE2 MET A 462 0.273 3.669 8.970 1.00 0.00 H new ATOM 0 HE3 MET A 462 1.565 3.447 10.173 1.00 0.00 H new ATOM 1269 N ASN A 463 6.578 4.438 8.125 1.00 0.00 N ATOM 1270 CA ASN A 463 7.745 3.561 8.070 1.00 0.00 C ATOM 1271 C ASN A 463 8.368 3.413 9.477 1.00 0.00 C ATOM 1272 O ASN A 463 8.896 4.376 10.039 1.00 0.00 O ATOM 1273 CB ASN A 463 8.730 4.106 7.029 1.00 0.00 C ATOM 1274 CG ASN A 463 9.852 3.118 6.750 1.00 0.00 C ATOM 1275 OD1 ASN A 463 9.601 2.000 6.318 1.00 0.00 O ATOM 1276 ND2 ASN A 463 11.097 3.482 6.992 1.00 0.00 N ATOM 0 H ASN A 463 6.717 5.348 7.686 1.00 0.00 H new ATOM 0 HA ASN A 463 7.457 2.558 7.756 1.00 0.00 H new ATOM 0 HB2 ASN A 463 8.198 4.324 6.103 1.00 0.00 H new ATOM 0 HB3 ASN A 463 9.152 5.046 7.384 1.00 0.00 H new ATOM 0 HD21 ASN A 463 11.862 2.830 6.819 1.00 0.00 H new ATOM 0 HD22 ASN A 463 11.295 4.416 7.352 1.00 0.00 H new ATOM 1283 N GLY A 464 8.267 2.211 10.058 1.00 0.00 N ATOM 1284 CA GLY A 464 8.657 1.889 11.442 1.00 0.00 C ATOM 1285 C GLY A 464 7.515 1.944 12.466 1.00 0.00 C ATOM 1286 O GLY A 464 7.763 1.684 13.643 1.00 0.00 O ATOM 0 H GLY A 464 7.897 1.402 9.559 1.00 0.00 H new ATOM 0 HA2 GLY A 464 9.092 0.890 11.458 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.439 2.582 11.754 1.00 0.00 H new ATOM 1290 N PHE A 465 6.278 2.258 12.056 1.00 0.00 N ATOM 1291 CA PHE A 465 5.104 2.359 12.938 1.00 0.00 C ATOM 1292 C PHE A 465 4.779 1.008 13.588 1.00 0.00 C ATOM 1293 O PHE A 465 4.554 0.025 12.881 1.00 0.00 O ATOM 1294 CB PHE A 465 3.918 2.868 12.103 1.00 0.00 C ATOM 1295 CG PHE A 465 2.605 3.047 12.846 1.00 0.00 C ATOM 1296 CD1 PHE A 465 1.674 1.989 12.938 1.00 0.00 C ATOM 1297 CD2 PHE A 465 2.290 4.299 13.408 1.00 0.00 C ATOM 1298 CE1 PHE A 465 0.442 2.188 13.585 1.00 0.00 C ATOM 1299 CE2 PHE A 465 1.056 4.495 14.056 1.00 0.00 C ATOM 1300 CZ PHE A 465 0.132 3.440 14.143 1.00 0.00 C ATOM 0 H PHE A 465 6.060 2.454 11.079 1.00 0.00 H new ATOM 0 HA PHE A 465 5.314 3.056 13.749 1.00 0.00 H new ATOM 0 HB2 PHE A 465 4.195 3.825 11.661 1.00 0.00 H new ATOM 0 HB3 PHE A 465 3.754 2.172 11.280 1.00 0.00 H new ATOM 0 HD1 PHE A 465 1.909 1.025 12.511 1.00 0.00 H new ATOM 0 HD2 PHE A 465 2.998 5.112 13.342 1.00 0.00 H new ATOM 0 HE1 PHE A 465 -0.268 1.377 13.653 1.00 0.00 H new ATOM 0 HE2 PHE A 465 0.819 5.457 14.487 1.00 0.00 H new ATOM 0 HZ PHE A 465 -0.816 3.591 14.638 1.00 0.00 H new ATOM 1310 N GLN A 466 4.745 0.944 14.924 1.00 0.00 N ATOM 1311 CA GLN A 466 4.403 -0.287 15.640 1.00 0.00 C ATOM 1312 C GLN A 466 2.893 -0.547 15.577 1.00 0.00 C ATOM 1313 O GLN A 466 2.084 0.332 15.877 1.00 0.00 O ATOM 1314 CB GLN A 466 4.910 -0.239 17.092 1.00 0.00 C ATOM 1315 CG GLN A 466 4.796 -1.626 17.762 1.00 0.00 C ATOM 1316 CD GLN A 466 5.176 -1.643 19.245 1.00 0.00 C ATOM 1317 OE1 GLN A 466 5.986 -0.863 19.734 1.00 0.00 O ATOM 1318 NE2 GLN A 466 4.603 -2.541 20.024 1.00 0.00 N ATOM 0 H GLN A 466 4.952 1.736 15.533 1.00 0.00 H new ATOM 0 HA GLN A 466 4.904 -1.121 15.149 1.00 0.00 H new ATOM 0 HB2 GLN A 466 5.948 0.093 17.108 1.00 0.00 H new ATOM 0 HB3 GLN A 466 4.333 0.492 17.659 1.00 0.00 H new ATOM 0 HG2 GLN A 466 3.772 -1.984 17.657 1.00 0.00 H new ATOM 0 HG3 GLN A 466 5.435 -2.328 17.227 1.00 0.00 H new ATOM 0 HE21 GLN A 466 3.927 -3.198 19.634 1.00 0.00 H new ATOM 0 HE22 GLN A 466 4.836 -2.578 21.016 1.00 0.00 H new ATOM 1327 N ILE A 467 2.517 -1.780 15.234 1.00 0.00 N ATOM 1328 CA ILE A 467 1.133 -2.250 15.177 1.00 0.00 C ATOM 1329 C ILE A 467 1.072 -3.677 15.744 1.00 0.00 C ATOM 1330 O ILE A 467 1.603 -4.629 15.168 1.00 0.00 O ATOM 1331 CB ILE A 467 0.576 -2.042 13.744 1.00 0.00 C ATOM 1332 CG1 ILE A 467 -0.962 -2.115 13.762 1.00 0.00 C ATOM 1333 CG2 ILE A 467 1.198 -2.968 12.681 1.00 0.00 C ATOM 1334 CD1 ILE A 467 -1.617 -1.629 12.464 1.00 0.00 C ATOM 0 H ILE A 467 3.191 -2.503 14.980 1.00 0.00 H new ATOM 0 HA ILE A 467 0.461 -1.670 15.810 1.00 0.00 H new ATOM 0 HB ILE A 467 0.878 -1.043 13.430 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -1.266 -3.145 13.948 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -1.336 -1.517 14.593 1.00 0.00 H new ATOM 0 HG21 ILE A 467 0.753 -2.757 11.709 1.00 0.00 H new ATOM 0 HG22 ILE A 467 2.273 -2.796 12.633 1.00 0.00 H new ATOM 0 HG23 ILE A 467 1.009 -4.008 12.948 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -2.701 -1.710 12.551 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -1.344 -0.589 12.286 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -1.273 -2.242 11.631 1.00 0.00 H new ATOM 1392 N ARG A 471 6.407 -4.029 13.523 1.00 0.00 N ATOM 1393 CA ARG A 471 6.528 -2.682 12.939 1.00 0.00 C ATOM 1394 C ARG A 471 6.354 -2.718 11.417 1.00 0.00 C ATOM 1395 O ARG A 471 6.936 -3.567 10.742 1.00 0.00 O ATOM 1396 CB ARG A 471 7.879 -2.041 13.309 1.00 0.00 C ATOM 1397 CG ARG A 471 7.954 -1.663 14.796 1.00 0.00 C ATOM 1398 CD ARG A 471 9.299 -1.019 15.148 1.00 0.00 C ATOM 1399 NE ARG A 471 9.356 -0.656 16.576 1.00 0.00 N ATOM 1400 CZ ARG A 471 8.957 0.482 17.134 1.00 0.00 C ATOM 1401 NH1 ARG A 471 8.437 1.471 16.436 1.00 0.00 N ATOM 1402 NH2 ARG A 471 9.076 0.643 18.434 1.00 0.00 N ATOM 0 HA ARG A 471 5.729 -2.070 13.357 1.00 0.00 H new ATOM 0 HB2 ARG A 471 8.686 -2.735 13.071 1.00 0.00 H new ATOM 0 HB3 ARG A 471 8.035 -1.150 12.701 1.00 0.00 H new ATOM 0 HG2 ARG A 471 7.145 -0.973 15.038 1.00 0.00 H new ATOM 0 HG3 ARG A 471 7.806 -2.554 15.406 1.00 0.00 H new ATOM 0 HD2 ARG A 471 10.109 -1.709 14.912 1.00 0.00 H new ATOM 0 HD3 ARG A 471 9.451 -0.129 14.537 1.00 0.00 H new ATOM 0 HE ARG A 471 9.745 -1.357 17.206 1.00 0.00 H new ATOM 0 HH11 ARG A 471 8.328 1.380 15.426 1.00 0.00 H new ATOM 0 HH12 ARG A 471 8.144 2.328 16.906 1.00 0.00 H new ATOM 0 HH21 ARG A 471 9.472 -0.103 19.006 1.00 0.00 H new ATOM 0 HH22 ARG A 471 8.772 1.514 18.870 1.00 0.00 H new ATOM 1416 N LEU A 472 5.560 -1.782 10.890 1.00 0.00 N ATOM 1417 CA LEU A 472 5.339 -1.576 9.457 1.00 0.00 C ATOM 1418 C LEU A 472 6.614 -1.094 8.754 1.00 0.00 C ATOM 1419 O LEU A 472 7.463 -0.439 9.356 1.00 0.00 O ATOM 1420 CB LEU A 472 4.220 -0.532 9.246 1.00 0.00 C ATOM 1421 CG LEU A 472 2.821 -0.917 9.762 1.00 0.00 C ATOM 1422 CD1 LEU A 472 1.826 0.213 9.468 1.00 0.00 C ATOM 1423 CD2 LEU A 472 2.317 -2.209 9.109 1.00 0.00 C ATOM 0 H LEU A 472 5.036 -1.125 11.469 1.00 0.00 H new ATOM 0 HA LEU A 472 5.048 -2.533 9.025 1.00 0.00 H new ATOM 0 HB2 LEU A 472 4.521 0.395 9.733 1.00 0.00 H new ATOM 0 HB3 LEU A 472 4.145 -0.322 8.179 1.00 0.00 H new ATOM 0 HG LEU A 472 2.899 -1.079 10.837 1.00 0.00 H new ATOM 0 HD11 LEU A 472 0.839 -0.067 9.836 1.00 0.00 H new ATOM 0 HD12 LEU A 472 2.154 1.125 9.966 1.00 0.00 H new ATOM 0 HD13 LEU A 472 1.777 0.384 8.393 1.00 0.00 H new ATOM 0 HD21 LEU A 472 1.327 -2.450 9.497 1.00 0.00 H new ATOM 0 HD22 LEU A 472 2.261 -2.073 8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 472 3.004 -3.024 9.336 1.00 0.00 H new ATOM 1435 N LYS A 473 6.703 -1.346 7.450 1.00 0.00 N ATOM 1436 CA LYS A 473 7.715 -0.776 6.550 1.00 0.00 C ATOM 1437 C LYS A 473 7.016 -0.195 5.308 1.00 0.00 C ATOM 1438 O LYS A 473 6.045 -0.775 4.829 1.00 0.00 O ATOM 1439 CB LYS A 473 8.751 -1.864 6.210 1.00 0.00 C ATOM 1440 CG LYS A 473 9.905 -1.359 5.325 1.00 0.00 C ATOM 1441 CD LYS A 473 10.871 -2.480 4.909 1.00 0.00 C ATOM 1442 CE LYS A 473 11.589 -3.179 6.076 1.00 0.00 C ATOM 1443 NZ LYS A 473 12.553 -2.285 6.774 1.00 0.00 N ATOM 0 H LYS A 473 6.055 -1.971 6.971 1.00 0.00 H new ATOM 0 HA LYS A 473 8.253 0.044 7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 473 9.163 -2.264 7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 473 8.248 -2.687 5.703 1.00 0.00 H new ATOM 0 HG2 LYS A 473 9.493 -0.890 4.431 1.00 0.00 H new ATOM 0 HG3 LYS A 473 10.459 -0.589 5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 473 10.315 -3.228 4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 473 11.621 -2.063 4.237 1.00 0.00 H new ATOM 0 HE2 LYS A 473 10.848 -3.537 6.791 1.00 0.00 H new ATOM 0 HE3 LYS A 473 12.118 -4.055 5.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 13.009 -2.805 7.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 13.278 -1.963 6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 12.047 -1.462 7.158 1.00 0.00 H new ATOM 1457 N VAL A 474 7.478 0.941 4.785 1.00 0.00 N ATOM 1458 CA VAL A 474 6.876 1.633 3.636 1.00 0.00 C ATOM 1459 C VAL A 474 7.988 2.148 2.721 1.00 0.00 C ATOM 1460 O VAL A 474 8.951 2.742 3.204 1.00 0.00 O ATOM 1461 CB VAL A 474 5.970 2.809 4.079 1.00 0.00 C ATOM 1462 CG1 VAL A 474 5.228 3.393 2.868 1.00 0.00 C ATOM 1463 CG2 VAL A 474 4.939 2.400 5.143 1.00 0.00 C ATOM 0 H VAL A 474 8.300 1.420 5.154 1.00 0.00 H new ATOM 0 HA VAL A 474 6.247 0.921 3.101 1.00 0.00 H new ATOM 0 HB VAL A 474 6.629 3.556 4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 474 4.595 4.219 3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 474 5.952 3.756 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 474 4.610 2.619 2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 474 4.333 3.265 5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 474 4.295 1.617 4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 474 5.457 2.028 6.027 1.00 0.00 H new ATOM 1473 N GLN A 475 7.864 1.916 1.412 1.00 0.00 N ATOM 1474 CA GLN A 475 8.866 2.282 0.404 1.00 0.00 C ATOM 1475 C GLN A 475 8.200 2.730 -0.905 1.00 0.00 C ATOM 1476 O GLN A 475 7.084 2.319 -1.222 1.00 0.00 O ATOM 1477 CB GLN A 475 9.793 1.082 0.121 1.00 0.00 C ATOM 1478 CG GLN A 475 10.714 0.725 1.298 1.00 0.00 C ATOM 1479 CD GLN A 475 11.615 -0.469 0.978 1.00 0.00 C ATOM 1480 OE1 GLN A 475 11.301 -1.615 1.272 1.00 0.00 O ATOM 1481 NE2 GLN A 475 12.765 -0.258 0.367 1.00 0.00 N ATOM 0 H GLN A 475 7.045 1.458 1.013 1.00 0.00 H new ATOM 0 HA GLN A 475 9.449 3.114 0.799 1.00 0.00 H new ATOM 0 HB2 GLN A 475 9.183 0.214 -0.129 1.00 0.00 H new ATOM 0 HB3 GLN A 475 10.404 1.304 -0.754 1.00 0.00 H new ATOM 0 HG2 GLN A 475 11.331 1.587 1.550 1.00 0.00 H new ATOM 0 HG3 GLN A 475 10.109 0.498 2.176 1.00 0.00 H new ATOM 0 HE21 GLN A 475 13.042 0.691 0.115 1.00 0.00 H new ATOM 0 HE22 GLN A 475 13.377 -1.044 0.147 1.00 0.00 H new ATOM 1490 N LEU A 476 8.910 3.550 -1.688 1.00 0.00 N ATOM 1491 CA LEU A 476 8.522 3.898 -3.063 1.00 0.00 C ATOM 1492 C LEU A 476 8.595 2.699 -4.022 1.00 0.00 C ATOM 1493 O LEU A 476 9.334 1.738 -3.800 1.00 0.00 O ATOM 1494 CB LEU A 476 9.446 5.011 -3.610 1.00 0.00 C ATOM 1495 CG LEU A 476 9.310 6.407 -2.975 1.00 0.00 C ATOM 1496 CD1 LEU A 476 10.264 7.374 -3.690 1.00 0.00 C ATOM 1497 CD2 LEU A 476 7.882 6.949 -3.098 1.00 0.00 C ATOM 0 H LEU A 476 9.776 3.995 -1.385 1.00 0.00 H new ATOM 0 HA LEU A 476 7.487 4.236 -3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 476 10.479 4.683 -3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 476 9.264 5.107 -4.680 1.00 0.00 H new ATOM 0 HG LEU A 476 9.555 6.322 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 476 10.175 8.366 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 476 11.289 7.019 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 476 10.006 7.424 -4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 476 7.826 7.936 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 476 7.611 7.024 -4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 476 7.192 6.274 -2.592 1.00 0.00 H new ATOM 1509 N LYS A 477 7.889 2.806 -5.153 1.00 0.00 N ATOM 1510 CA LYS A 477 8.015 1.914 -6.317 1.00 0.00 C ATOM 1511 C LYS A 477 9.359 2.173 -7.055 1.00 0.00 C ATOM 1512 O LYS A 477 9.393 2.781 -8.128 1.00 0.00 O ATOM 1513 CB LYS A 477 6.766 2.133 -7.195 1.00 0.00 C ATOM 1514 CG LYS A 477 6.654 1.181 -8.398 1.00 0.00 C ATOM 1515 CD LYS A 477 5.475 1.598 -9.289 1.00 0.00 C ATOM 1516 CE LYS A 477 5.316 0.630 -10.467 1.00 0.00 C ATOM 1517 NZ LYS A 477 4.418 1.189 -11.508 1.00 0.00 N ATOM 0 H LYS A 477 7.192 3.538 -5.290 1.00 0.00 H new ATOM 0 HA LYS A 477 8.051 0.864 -6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 477 5.877 2.019 -6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 477 6.770 3.160 -7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 477 7.580 1.198 -8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.514 0.157 -8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.557 1.617 -8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 477 5.635 2.610 -9.662 1.00 0.00 H new ATOM 0 HE2 LYS A 477 6.293 0.420 -10.902 1.00 0.00 H new ATOM 0 HE3 LYS A 477 4.915 -0.318 -10.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 3.656 0.510 -11.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 4.006 2.081 -11.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 4.962 1.368 -12.376 1.00 0.00 H new