USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 473 LYS NZ :NH3+ -162:sc= 0.056 (180deg=0) USER MOD Set 1.2: A 475 GLN : amide:sc= -2.84 K(o=-2.8,f=-14!) USER MOD Set 2.1: A 420 MET CE :methyl -153:sc= -2.28 (180deg=-4.18!) USER MOD Set 2.2: A 462 MET CE :methyl -123:sc= -0.238 (180deg=-0.0915) USER MOD Single : A 395 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0149) USER MOD Single : A 402 ASN : amide:sc= -5.98! C(o=-6!,f=-11!) USER MOD Single : A 406 TYR OH : rot 73:sc= 0.152 USER MOD Single : A 407 HIS :FLIP no HD1:sc= -0.0968 F(o=-1.8,f=-0.097) USER MOD Single : A 410 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 415 GLN : amide:sc= -0.0466 X(o=-0.047,f=-0.42) USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 422 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.45) USER MOD Single : A 429 SER OG : rot 145:sc= -1.92 USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 448 SER OG : rot 103:sc= 1.32 USER MOD Single : A 449 TYR OH : rot -121:sc= -0.4 USER MOD Single : A 451 ASN : amide:sc= -2.52 K(o=-2.5,f=-6.4!) USER MOD Single : A 454 SER OG : rot 180:sc= 0 USER MOD Single : A 456 GLN :FLIP amide:sc= -0.0023 F(o=-0.65,f=-0.0023) USER MOD Single : A 460 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 461 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= -0.0504 X(o=-0.05,f=-0.22) USER MOD Single : A 466 GLN : amide:sc= 0.497 K(o=0.5,f=-4.6!) USER MOD Single : A 469 MET CE :methyl -150:sc= -0.294 (180deg=-1.18!) USER MOD Single : A 470 LYS NZ :NH3+ -162:sc=-0.00726 (180deg=-0.432) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 225 N LYS A 395 9.200 4.970 4.138 1.00 0.00 N ATOM 226 CA LYS A 395 8.994 6.363 3.760 1.00 0.00 C ATOM 227 C LYS A 395 7.583 6.578 3.221 1.00 0.00 C ATOM 228 O LYS A 395 6.891 5.623 2.871 1.00 0.00 O ATOM 229 CB LYS A 395 10.023 6.785 2.707 1.00 0.00 C ATOM 230 CG LYS A 395 9.995 5.929 1.453 1.00 0.00 C ATOM 231 CD LYS A 395 11.353 5.894 0.771 1.00 0.00 C ATOM 232 CE LYS A 395 11.687 7.231 0.127 1.00 0.00 C ATOM 233 NZ LYS A 395 10.926 7.443 -1.136 1.00 0.00 N ATOM 0 HA LYS A 395 9.121 6.978 4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 395 9.843 7.824 2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 395 11.020 6.739 3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 395 9.690 4.915 1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 395 9.249 6.320 0.761 1.00 0.00 H new ATOM 0 HD2 LYS A 395 12.121 5.638 1.501 1.00 0.00 H new ATOM 0 HD3 LYS A 395 11.360 5.111 0.012 1.00 0.00 H new ATOM 0 HE2 LYS A 395 11.463 8.037 0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 395 12.756 7.277 -0.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 11.243 8.324 -1.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 11.093 6.644 -1.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 9.910 7.509 -0.922 1.00 0.00 H new ATOM 247 N GLU A 396 7.165 7.839 3.158 1.00 0.00 N ATOM 248 CA GLU A 396 5.837 8.177 2.662 1.00 0.00 C ATOM 249 C GLU A 396 5.910 9.308 1.640 1.00 0.00 C ATOM 250 O GLU A 396 6.993 9.783 1.299 1.00 0.00 O ATOM 251 CB GLU A 396 4.923 8.581 3.821 1.00 0.00 C ATOM 252 CG GLU A 396 5.462 9.736 4.647 1.00 0.00 C ATOM 253 CD GLU A 396 6.415 9.279 5.736 1.00 0.00 C ATOM 254 OE1 GLU A 396 5.934 8.927 6.834 1.00 0.00 O ATOM 255 OE2 GLU A 396 7.638 9.276 5.491 1.00 0.00 O ATOM 0 H GLU A 396 7.726 8.641 3.444 1.00 0.00 H new ATOM 0 HA GLU A 396 5.424 7.294 2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 396 3.946 8.855 3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 396 4.773 7.719 4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 396 5.976 10.439 3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 396 4.629 10.274 5.100 1.00 0.00 H new ATOM 262 N GLY A 397 4.748 9.734 1.153 1.00 0.00 N ATOM 263 CA GLY A 397 4.701 10.804 0.174 1.00 0.00 C ATOM 264 C GLY A 397 4.335 12.139 0.791 1.00 0.00 C ATOM 265 O GLY A 397 4.674 12.431 1.938 1.00 0.00 O ATOM 0 H GLY A 397 3.838 9.357 1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 397 5.671 10.887 -0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 397 3.975 10.553 -0.599 1.00 0.00 H new ATOM 269 N PRO A 398 3.626 12.978 0.020 1.00 0.00 N ATOM 270 CA PRO A 398 3.198 14.302 0.478 1.00 0.00 C ATOM 271 C PRO A 398 2.021 14.231 1.444 1.00 0.00 C ATOM 272 O PRO A 398 1.316 13.224 1.504 1.00 0.00 O ATOM 273 CB PRO A 398 2.785 15.008 -0.816 1.00 0.00 C ATOM 274 CG PRO A 398 2.364 13.908 -1.729 1.00 0.00 C ATOM 275 CD PRO A 398 3.187 12.695 -1.356 1.00 0.00 C ATOM 0 HA PRO A 398 3.986 14.816 1.029 1.00 0.00 H new ATOM 0 HB2 PRO A 398 1.971 15.711 -0.641 1.00 0.00 H new ATOM 0 HB3 PRO A 398 3.613 15.578 -1.238 1.00 0.00 H new ATOM 0 HG2 PRO A 398 1.299 13.701 -1.621 1.00 0.00 H new ATOM 0 HG3 PRO A 398 2.531 14.184 -2.770 1.00 0.00 H new ATOM 0 HD2 PRO A 398 2.597 11.780 -1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 398 4.035 12.565 -2.028 1.00 0.00 H new ATOM 283 N GLU A 399 1.815 15.306 2.199 1.00 0.00 N ATOM 284 CA GLU A 399 0.722 15.362 3.164 1.00 0.00 C ATOM 285 C GLU A 399 -0.624 15.167 2.473 1.00 0.00 C ATOM 286 O GLU A 399 -0.977 15.907 1.556 1.00 0.00 O ATOM 287 CB GLU A 399 0.737 16.701 3.906 1.00 0.00 C ATOM 288 CG GLU A 399 -0.359 16.829 4.951 1.00 0.00 C ATOM 289 CD GLU A 399 -0.446 15.617 5.857 1.00 0.00 C ATOM 290 OE1 GLU A 399 -1.111 14.633 5.470 1.00 0.00 O ATOM 291 OE2 GLU A 399 0.152 15.650 6.953 1.00 0.00 O ATOM 0 H GLU A 399 2.389 16.148 2.161 1.00 0.00 H new ATOM 0 HA GLU A 399 0.863 14.554 3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 399 1.705 16.828 4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 399 0.634 17.509 3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -0.177 17.718 5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -1.317 16.974 4.451 1.00 0.00 H new ATOM 298 N GLY A 400 -1.373 14.163 2.920 1.00 0.00 N ATOM 299 CA GLY A 400 -2.670 13.885 2.334 1.00 0.00 C ATOM 300 C GLY A 400 -2.703 12.563 1.595 1.00 0.00 C ATOM 301 O GLY A 400 -3.755 11.935 1.479 1.00 0.00 O ATOM 0 H GLY A 400 -1.103 13.537 3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -3.426 13.877 3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -2.934 14.688 1.646 1.00 0.00 H new ATOM 305 N ALA A 401 -1.548 12.140 1.092 1.00 0.00 N ATOM 306 CA ALA A 401 -1.449 10.882 0.361 1.00 0.00 C ATOM 307 C ALA A 401 -0.946 9.761 1.263 1.00 0.00 C ATOM 308 O ALA A 401 0.091 9.891 1.911 1.00 0.00 O ATOM 309 CB ALA A 401 -0.533 11.044 -0.844 1.00 0.00 C ATOM 0 H ALA A 401 -0.668 12.649 1.177 1.00 0.00 H new ATOM 0 HA ALA A 401 -2.446 10.612 0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 401 -0.468 10.098 -1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 401 -0.935 11.810 -1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 401 0.461 11.340 -0.508 1.00 0.00 H new ATOM 315 N ASN A 402 -1.689 8.659 1.299 1.00 0.00 N ATOM 316 CA ASN A 402 -1.320 7.514 2.124 1.00 0.00 C ATOM 317 C ASN A 402 -1.994 6.242 1.623 1.00 0.00 C ATOM 318 O ASN A 402 -2.994 6.297 0.904 1.00 0.00 O ATOM 319 CB ASN A 402 -1.702 7.766 3.584 1.00 0.00 C ATOM 320 CG ASN A 402 -1.649 9.237 3.951 1.00 0.00 C ATOM 321 OD1 ASN A 402 -2.664 9.933 3.919 1.00 0.00 O ATOM 322 ND2 ASN A 402 -0.462 9.717 4.301 1.00 0.00 N ATOM 0 H ASN A 402 -2.550 8.535 0.766 1.00 0.00 H new ATOM 0 HA ASN A 402 -0.240 7.382 2.055 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -2.707 7.386 3.764 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -1.029 7.208 4.234 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -0.365 10.699 4.558 1.00 0.00 H new ATOM 0 HD22 ASN A 402 0.353 9.103 4.313 1.00 0.00 H new ATOM 329 N LEU A 403 -1.442 5.095 2.004 1.00 0.00 N ATOM 330 CA LEU A 403 -1.990 3.808 1.593 1.00 0.00 C ATOM 331 C LEU A 403 -1.593 2.709 2.574 1.00 0.00 C ATOM 332 O LEU A 403 -0.408 2.476 2.816 1.00 0.00 O ATOM 333 CB LEU A 403 -1.506 3.450 0.187 1.00 0.00 C ATOM 334 CG LEU A 403 -2.223 4.150 -0.968 1.00 0.00 C ATOM 335 CD1 LEU A 403 -1.755 3.593 -2.303 1.00 0.00 C ATOM 336 CD2 LEU A 403 -3.732 4.004 -0.826 1.00 0.00 C ATOM 0 H LEU A 403 -0.615 5.031 2.597 1.00 0.00 H new ATOM 0 HA LEU A 403 -3.077 3.890 1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 403 -0.443 3.680 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 403 -1.608 2.373 0.052 1.00 0.00 H new ATOM 0 HG LEU A 403 -1.976 5.211 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 403 -2.276 4.103 -3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 403 -0.681 3.750 -2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 403 -1.971 2.526 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 403 -4.226 4.508 -1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 403 -3.998 2.947 -0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 403 -4.054 4.452 0.114 1.00 0.00 H new ATOM 348 N PHE A 404 -2.592 2.036 3.137 1.00 0.00 N ATOM 349 CA PHE A 404 -2.347 0.961 4.091 1.00 0.00 C ATOM 350 C PHE A 404 -3.139 -0.289 3.717 1.00 0.00 C ATOM 351 O PHE A 404 -4.366 -0.311 3.813 1.00 0.00 O ATOM 352 CB PHE A 404 -2.720 1.411 5.505 1.00 0.00 C ATOM 353 CG PHE A 404 -1.675 2.271 6.155 1.00 0.00 C ATOM 354 CD1 PHE A 404 -1.435 3.557 5.698 1.00 0.00 C ATOM 355 CD2 PHE A 404 -0.932 1.794 7.223 1.00 0.00 C ATOM 356 CE1 PHE A 404 -0.473 4.351 6.294 1.00 0.00 C ATOM 357 CE2 PHE A 404 0.030 2.584 7.824 1.00 0.00 C ATOM 358 CZ PHE A 404 0.260 3.865 7.359 1.00 0.00 C ATOM 0 H PHE A 404 -3.578 2.216 2.949 1.00 0.00 H new ATOM 0 HA PHE A 404 -1.285 0.719 4.063 1.00 0.00 H new ATOM 0 HB2 PHE A 404 -3.660 1.962 5.466 1.00 0.00 H new ATOM 0 HB3 PHE A 404 -2.892 0.531 6.124 1.00 0.00 H new ATOM 0 HD1 PHE A 404 -2.006 3.943 4.867 1.00 0.00 H new ATOM 0 HD2 PHE A 404 -1.107 0.793 7.590 1.00 0.00 H new ATOM 0 HE1 PHE A 404 -0.295 5.351 5.927 1.00 0.00 H new ATOM 0 HE2 PHE A 404 0.601 2.200 8.656 1.00 0.00 H new ATOM 0 HZ PHE A 404 1.011 4.484 7.827 1.00 0.00 H new ATOM 368 N ILE A 405 -2.428 -1.327 3.290 1.00 0.00 N ATOM 369 CA ILE A 405 -3.064 -2.580 2.903 1.00 0.00 C ATOM 370 C ILE A 405 -3.165 -3.535 4.087 1.00 0.00 C ATOM 371 O ILE A 405 -2.202 -3.721 4.832 1.00 0.00 O ATOM 372 CB ILE A 405 -2.293 -3.273 1.764 1.00 0.00 C ATOM 373 CG1 ILE A 405 -2.124 -2.321 0.578 1.00 0.00 C ATOM 374 CG2 ILE A 405 -3.013 -4.543 1.332 1.00 0.00 C ATOM 375 CD1 ILE A 405 -1.049 -1.279 0.789 1.00 0.00 C ATOM 0 H ILE A 405 -1.412 -1.325 3.203 1.00 0.00 H new ATOM 0 HA ILE A 405 -4.066 -2.331 2.555 1.00 0.00 H new ATOM 0 HB ILE A 405 -1.303 -3.546 2.130 1.00 0.00 H new ATOM 0 HG12 ILE A 405 -1.886 -2.902 -0.313 1.00 0.00 H new ATOM 0 HG13 ILE A 405 -3.073 -1.819 0.387 1.00 0.00 H new ATOM 0 HG21 ILE A 405 -2.456 -5.021 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 405 -3.085 -5.226 2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 405 -4.014 -4.292 0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 405 -0.985 -0.639 -0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 405 -1.296 -0.673 1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 405 -0.091 -1.772 0.950 1.00 0.00 H new ATOM 387 N TYR A 406 -4.336 -4.139 4.255 1.00 0.00 N ATOM 388 CA TYR A 406 -4.564 -5.075 5.349 1.00 0.00 C ATOM 389 C TYR A 406 -5.088 -6.408 4.826 1.00 0.00 C ATOM 390 O TYR A 406 -5.204 -6.612 3.617 1.00 0.00 O ATOM 391 CB TYR A 406 -5.554 -4.484 6.356 1.00 0.00 C ATOM 392 CG TYR A 406 -5.100 -3.171 6.951 1.00 0.00 C ATOM 393 CD1 TYR A 406 -4.113 -3.133 7.928 1.00 0.00 C ATOM 394 CD2 TYR A 406 -5.659 -1.968 6.538 1.00 0.00 C ATOM 395 CE1 TYR A 406 -3.695 -1.935 8.475 1.00 0.00 C ATOM 396 CE2 TYR A 406 -5.247 -0.765 7.079 1.00 0.00 C ATOM 397 CZ TYR A 406 -4.265 -0.754 8.048 1.00 0.00 C ATOM 398 OH TYR A 406 -3.852 0.441 8.591 1.00 0.00 O ATOM 0 H TYR A 406 -5.143 -3.997 3.647 1.00 0.00 H new ATOM 0 HA TYR A 406 -3.611 -5.251 5.847 1.00 0.00 H new ATOM 0 HB2 TYR A 406 -6.516 -4.337 5.864 1.00 0.00 H new ATOM 0 HB3 TYR A 406 -5.714 -5.202 7.160 1.00 0.00 H new ATOM 0 HD1 TYR A 406 -3.665 -4.056 8.266 1.00 0.00 H new ATOM 0 HD2 TYR A 406 -6.429 -1.973 5.781 1.00 0.00 H new ATOM 0 HE1 TYR A 406 -2.926 -1.924 9.233 1.00 0.00 H new ATOM 0 HE2 TYR A 406 -5.691 0.161 6.745 1.00 0.00 H new ATOM 0 HH TYR A 406 -2.961 0.665 8.250 1.00 0.00 H new ATOM 408 N HIS A 407 -5.406 -7.315 5.746 1.00 0.00 N ATOM 409 CA HIS A 407 -5.920 -8.629 5.378 1.00 0.00 C ATOM 410 C HIS A 407 -5.151 -9.201 4.191 1.00 0.00 C ATOM 411 O HIS A 407 -5.742 -9.581 3.180 1.00 0.00 O ATOM 412 CB HIS A 407 -7.409 -8.542 5.043 1.00 0.00 C ATOM 413 CG HIS A 407 -8.235 -7.939 6.137 1.00 0.00 C ATOM 414 ND1 HIS A 407 -8.151 -6.735 6.750 1.00 0.00 N flip ATOM 415 CD2 HIS A 407 -9.295 -8.595 6.727 1.00 0.00 C flip ATOM 416 CE1 HIS A 407 -9.153 -6.685 7.687 1.00 0.00 C flip ATOM 417 NE2 HIS A 407 -9.829 -7.819 7.653 1.00 0.00 N flip ATOM 0 H HIS A 407 -5.316 -7.163 6.751 1.00 0.00 H new ATOM 0 HA HIS A 407 -5.786 -9.296 6.230 1.00 0.00 H new ATOM 0 HB2 HIS A 407 -7.535 -7.951 4.136 1.00 0.00 H new ATOM 0 HB3 HIS A 407 -7.783 -9.542 4.826 1.00 0.00 H new ATOM 0 HD2 HIS A 407 -9.635 -9.588 6.472 1.00 0.00 H new ATOM 0 HE1 HIS A 407 -9.356 -5.853 8.345 1.00 0.00 H new ATOM 0 HE2 HIS A 407 -10.628 -8.055 8.242 1.00 0.00 H new ATOM 425 N LEU A 408 -3.830 -9.258 4.320 1.00 0.00 N ATOM 426 CA LEU A 408 -2.980 -9.783 3.258 1.00 0.00 C ATOM 427 C LEU A 408 -2.604 -11.236 3.529 1.00 0.00 C ATOM 428 O LEU A 408 -2.374 -11.641 4.669 1.00 0.00 O ATOM 429 CB LEU A 408 -1.715 -8.933 3.123 1.00 0.00 C ATOM 430 CG LEU A 408 -1.871 -7.611 2.370 1.00 0.00 C ATOM 431 CD1 LEU A 408 -0.695 -6.691 2.657 1.00 0.00 C ATOM 432 CD2 LEU A 408 -2.004 -7.860 0.875 1.00 0.00 C ATOM 0 H LEU A 408 -3.325 -8.947 5.150 1.00 0.00 H new ATOM 0 HA LEU A 408 -3.540 -9.741 2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -1.339 -8.716 4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -0.954 -9.528 2.618 1.00 0.00 H new ATOM 0 HG LEU A 408 -2.781 -7.123 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.824 -5.755 2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -0.647 -6.485 3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 408 0.230 -7.172 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -2.114 -6.908 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -1.113 -8.371 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -2.881 -8.480 0.686 1.00 0.00 H new ATOM 444 N PRO A 409 -2.535 -12.040 2.457 1.00 0.00 N ATOM 445 CA PRO A 409 -2.183 -13.459 2.554 1.00 0.00 C ATOM 446 C PRO A 409 -0.691 -13.673 2.790 1.00 0.00 C ATOM 447 O PRO A 409 0.112 -12.761 2.599 1.00 0.00 O ATOM 448 CB PRO A 409 -2.594 -14.020 1.190 1.00 0.00 C ATOM 449 CG PRO A 409 -2.488 -12.864 0.257 1.00 0.00 C ATOM 450 CD PRO A 409 -2.794 -11.624 1.069 1.00 0.00 C ATOM 0 HA PRO A 409 -2.676 -13.944 3.397 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -1.940 -14.837 0.884 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -3.609 -14.417 1.215 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -1.490 -12.806 -0.177 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -3.190 -12.968 -0.571 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -2.159 -10.788 0.777 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -3.827 -11.302 0.934 1.00 0.00 H new ATOM 458 N GLN A 410 -0.330 -14.882 3.206 1.00 0.00 N ATOM 459 CA GLN A 410 1.065 -15.214 3.468 1.00 0.00 C ATOM 460 C GLN A 410 1.899 -15.106 2.195 1.00 0.00 C ATOM 461 O GLN A 410 3.049 -14.668 2.230 1.00 0.00 O ATOM 462 CB GLN A 410 1.177 -16.626 4.045 1.00 0.00 C ATOM 463 CG GLN A 410 2.609 -17.078 4.277 1.00 0.00 C ATOM 464 CD GLN A 410 2.701 -18.526 4.714 1.00 0.00 C ATOM 465 OE1 GLN A 410 3.129 -19.391 3.949 1.00 0.00 O ATOM 466 NE2 GLN A 410 2.298 -18.800 5.949 1.00 0.00 N ATOM 0 H GLN A 410 -0.984 -15.648 3.369 1.00 0.00 H new ATOM 0 HA GLN A 410 1.450 -14.500 4.196 1.00 0.00 H new ATOM 0 HB2 GLN A 410 0.635 -16.667 4.990 1.00 0.00 H new ATOM 0 HB3 GLN A 410 0.690 -17.326 3.367 1.00 0.00 H new ATOM 0 HG2 GLN A 410 3.182 -16.942 3.360 1.00 0.00 H new ATOM 0 HG3 GLN A 410 3.068 -16.444 5.036 1.00 0.00 H new ATOM 0 HE21 GLN A 410 1.950 -18.053 6.550 1.00 0.00 H new ATOM 0 HE22 GLN A 410 2.336 -19.758 6.297 1.00 0.00 H new ATOM 475 N GLU A 411 1.311 -15.508 1.073 1.00 0.00 N ATOM 476 CA GLU A 411 2.001 -15.458 -0.211 1.00 0.00 C ATOM 477 C GLU A 411 2.446 -14.034 -0.533 1.00 0.00 C ATOM 478 O GLU A 411 3.500 -13.822 -1.134 1.00 0.00 O ATOM 479 CB GLU A 411 1.094 -15.985 -1.324 1.00 0.00 C ATOM 480 CG GLU A 411 0.021 -14.997 -1.753 1.00 0.00 C ATOM 481 CD GLU A 411 -1.214 -15.682 -2.308 1.00 0.00 C ATOM 482 OE1 GLU A 411 -1.087 -16.410 -3.314 1.00 0.00 O ATOM 483 OE2 GLU A 411 -2.307 -15.490 -1.734 1.00 0.00 O ATOM 0 H GLU A 411 0.359 -15.872 1.027 1.00 0.00 H new ATOM 0 HA GLU A 411 2.886 -16.091 -0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 411 1.706 -16.242 -2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 411 0.616 -16.905 -0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -0.262 -14.381 -0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 411 0.431 -14.327 -2.509 1.00 0.00 H new ATOM 490 N PHE A 412 1.634 -13.062 -0.131 1.00 0.00 N ATOM 491 CA PHE A 412 1.942 -11.658 -0.379 1.00 0.00 C ATOM 492 C PHE A 412 2.990 -11.149 0.608 1.00 0.00 C ATOM 493 O PHE A 412 2.747 -11.092 1.812 1.00 0.00 O ATOM 494 CB PHE A 412 0.674 -10.809 -0.276 1.00 0.00 C ATOM 495 CG PHE A 412 -0.017 -10.603 -1.593 1.00 0.00 C ATOM 496 CD1 PHE A 412 -0.561 -11.675 -2.281 1.00 0.00 C ATOM 497 CD2 PHE A 412 -0.124 -9.335 -2.143 1.00 0.00 C ATOM 498 CE1 PHE A 412 -1.199 -11.489 -3.493 1.00 0.00 C ATOM 499 CE2 PHE A 412 -0.760 -9.142 -3.355 1.00 0.00 C ATOM 500 CZ PHE A 412 -1.297 -10.220 -4.032 1.00 0.00 C ATOM 0 H PHE A 412 0.758 -13.220 0.368 1.00 0.00 H new ATOM 0 HA PHE A 412 2.346 -11.573 -1.388 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -0.018 -11.286 0.418 1.00 0.00 H new ATOM 0 HB3 PHE A 412 0.930 -9.838 0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -0.486 -12.669 -1.865 1.00 0.00 H new ATOM 0 HD2 PHE A 412 0.294 -8.488 -1.619 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -1.620 -12.334 -4.018 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -0.837 -8.149 -3.773 1.00 0.00 H new ATOM 0 HZ PHE A 412 -1.792 -10.071 -4.980 1.00 0.00 H new ATOM 510 N GLY A 413 4.156 -10.780 0.087 1.00 0.00 N ATOM 511 CA GLY A 413 5.223 -10.281 0.935 1.00 0.00 C ATOM 512 C GLY A 413 5.460 -8.795 0.754 1.00 0.00 C ATOM 513 O GLY A 413 4.512 -8.018 0.643 1.00 0.00 O ATOM 0 H GLY A 413 4.381 -10.818 -0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 413 4.978 -10.482 1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 413 6.143 -10.822 0.713 1.00 0.00 H new ATOM 517 N ASP A 414 6.727 -8.399 0.728 1.00 0.00 N ATOM 518 CA ASP A 414 7.086 -6.995 0.562 1.00 0.00 C ATOM 519 C ASP A 414 6.985 -6.578 -0.902 1.00 0.00 C ATOM 520 O ASP A 414 6.309 -5.605 -1.234 1.00 0.00 O ATOM 521 CB ASP A 414 8.504 -6.745 1.079 1.00 0.00 C ATOM 522 CG ASP A 414 8.814 -7.545 2.329 1.00 0.00 C ATOM 523 OD1 ASP A 414 8.544 -8.764 2.335 1.00 0.00 O ATOM 524 OD2 ASP A 414 9.327 -6.952 3.301 1.00 0.00 O ATOM 0 H ASP A 414 7.523 -9.030 0.820 1.00 0.00 H new ATOM 0 HA ASP A 414 6.385 -6.395 1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 414 9.222 -7.001 0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 414 8.628 -5.683 1.291 1.00 0.00 H new ATOM 529 N GLN A 415 7.661 -7.322 -1.772 1.00 0.00 N ATOM 530 CA GLN A 415 7.648 -7.027 -3.200 1.00 0.00 C ATOM 531 C GLN A 415 6.231 -7.114 -3.760 1.00 0.00 C ATOM 532 O GLN A 415 5.717 -6.148 -4.324 1.00 0.00 O ATOM 533 CB GLN A 415 8.566 -7.995 -3.950 1.00 0.00 C ATOM 534 CG GLN A 415 10.040 -7.637 -3.848 1.00 0.00 C ATOM 535 CD GLN A 415 10.708 -8.256 -2.636 1.00 0.00 C ATOM 536 OE1 GLN A 415 10.531 -9.441 -2.353 1.00 0.00 O ATOM 537 NE2 GLN A 415 11.481 -7.455 -1.913 1.00 0.00 N ATOM 0 H GLN A 415 8.224 -8.132 -1.513 1.00 0.00 H new ATOM 0 HA GLN A 415 8.013 -6.009 -3.340 1.00 0.00 H new ATOM 0 HB2 GLN A 415 8.417 -9.001 -3.558 1.00 0.00 H new ATOM 0 HB3 GLN A 415 8.277 -8.016 -5.001 1.00 0.00 H new ATOM 0 HG2 GLN A 415 10.554 -7.969 -4.750 1.00 0.00 H new ATOM 0 HG3 GLN A 415 10.144 -6.553 -3.802 1.00 0.00 H new ATOM 0 HE21 GLN A 415 11.599 -6.479 -2.185 1.00 0.00 H new ATOM 0 HE22 GLN A 415 11.957 -7.816 -1.086 1.00 0.00 H new ATOM 546 N ASP A 416 5.608 -8.277 -3.602 1.00 0.00 N ATOM 547 CA ASP A 416 4.251 -8.489 -4.092 1.00 0.00 C ATOM 548 C ASP A 416 3.413 -7.223 -3.936 1.00 0.00 C ATOM 549 O ASP A 416 2.766 -6.774 -4.883 1.00 0.00 O ATOM 550 CB ASP A 416 3.592 -9.648 -3.343 1.00 0.00 C ATOM 551 CG ASP A 416 4.317 -10.962 -3.557 1.00 0.00 C ATOM 552 OD1 ASP A 416 4.581 -11.310 -4.726 1.00 0.00 O ATOM 553 OD2 ASP A 416 4.621 -11.643 -2.554 1.00 0.00 O ATOM 0 H ASP A 416 6.021 -9.087 -3.139 1.00 0.00 H new ATOM 0 HA ASP A 416 4.307 -8.737 -5.152 1.00 0.00 H new ATOM 0 HB2 ASP A 416 3.566 -9.420 -2.277 1.00 0.00 H new ATOM 0 HB3 ASP A 416 2.558 -9.749 -3.673 1.00 0.00 H new ATOM 558 N LEU A 417 3.428 -6.655 -2.735 1.00 0.00 N ATOM 559 CA LEU A 417 2.668 -5.442 -2.454 1.00 0.00 C ATOM 560 C LEU A 417 3.077 -4.313 -3.394 1.00 0.00 C ATOM 561 O LEU A 417 2.230 -3.669 -4.014 1.00 0.00 O ATOM 562 CB LEU A 417 2.876 -5.012 -1.001 1.00 0.00 C ATOM 563 CG LEU A 417 2.010 -3.849 -0.515 1.00 0.00 C ATOM 564 CD1 LEU A 417 0.535 -4.194 -0.636 1.00 0.00 C ATOM 565 CD2 LEU A 417 2.359 -3.488 0.922 1.00 0.00 C ATOM 0 H LEU A 417 3.958 -7.015 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 417 1.612 -5.659 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 417 2.688 -5.872 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 417 3.923 -4.739 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 417 2.212 -2.983 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 417 -0.065 -3.354 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 417 0.294 -4.402 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 417 0.316 -5.074 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 417 1.733 -2.659 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 417 2.187 -4.350 1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 417 3.408 -3.196 0.979 1.00 0.00 H new ATOM 577 N LEU A 418 4.380 -4.079 -3.497 1.00 0.00 N ATOM 578 CA LEU A 418 4.904 -3.029 -4.364 1.00 0.00 C ATOM 579 C LEU A 418 4.440 -3.229 -5.803 1.00 0.00 C ATOM 580 O LEU A 418 4.042 -2.278 -6.475 1.00 0.00 O ATOM 581 CB LEU A 418 6.432 -3.007 -4.308 1.00 0.00 C ATOM 582 CG LEU A 418 7.130 -2.120 -5.339 1.00 0.00 C ATOM 583 CD1 LEU A 418 6.818 -0.653 -5.078 1.00 0.00 C ATOM 584 CD2 LEU A 418 8.632 -2.358 -5.319 1.00 0.00 C ATOM 0 H LEU A 418 5.094 -4.602 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 418 4.520 -2.073 -4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 418 6.734 -2.680 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 418 6.795 -4.027 -4.432 1.00 0.00 H new ATOM 0 HG LEU A 418 6.754 -2.381 -6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 418 7.323 -0.036 -5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 418 5.742 -0.493 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 418 7.166 -0.379 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 418 9.112 -1.718 -6.059 1.00 0.00 H new ATOM 0 HD22 LEU A 418 9.024 -2.125 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 418 8.838 -3.402 -5.554 1.00 0.00 H new ATOM 596 N GLN A 419 4.491 -4.473 -6.269 1.00 0.00 N ATOM 597 CA GLN A 419 4.074 -4.798 -7.627 1.00 0.00 C ATOM 598 C GLN A 419 2.556 -4.923 -7.716 1.00 0.00 C ATOM 599 O GLN A 419 1.994 -5.000 -8.807 1.00 0.00 O ATOM 600 CB GLN A 419 4.733 -6.100 -8.088 1.00 0.00 C ATOM 601 CG GLN A 419 6.245 -6.002 -8.220 1.00 0.00 C ATOM 602 CD GLN A 419 6.681 -5.503 -9.584 1.00 0.00 C ATOM 603 OE1 GLN A 419 6.689 -6.255 -10.560 1.00 0.00 O ATOM 604 NE2 GLN A 419 7.047 -4.229 -9.659 1.00 0.00 N ATOM 0 H GLN A 419 4.817 -5.272 -5.725 1.00 0.00 H new ATOM 0 HA GLN A 419 4.392 -3.986 -8.281 1.00 0.00 H new ATOM 0 HB2 GLN A 419 4.489 -6.892 -7.380 1.00 0.00 H new ATOM 0 HB3 GLN A 419 4.311 -6.391 -9.050 1.00 0.00 H new ATOM 0 HG2 GLN A 419 6.630 -5.331 -7.452 1.00 0.00 H new ATOM 0 HG3 GLN A 419 6.686 -6.982 -8.038 1.00 0.00 H new ATOM 0 HE21 GLN A 419 7.025 -3.642 -8.825 1.00 0.00 H new ATOM 0 HE22 GLN A 419 7.350 -3.837 -10.551 1.00 0.00 H new ATOM 613 N MET A 420 1.902 -4.945 -6.560 1.00 0.00 N ATOM 614 CA MET A 420 0.448 -5.061 -6.508 1.00 0.00 C ATOM 615 C MET A 420 -0.213 -3.703 -6.717 1.00 0.00 C ATOM 616 O MET A 420 -1.342 -3.620 -7.200 1.00 0.00 O ATOM 617 CB MET A 420 0.011 -5.654 -5.167 1.00 0.00 C ATOM 618 CG MET A 420 -1.496 -5.659 -4.968 1.00 0.00 C ATOM 619 SD MET A 420 -2.292 -7.087 -5.728 1.00 0.00 S ATOM 620 CE MET A 420 -3.325 -7.655 -4.379 1.00 0.00 C ATOM 0 H MET A 420 2.354 -4.884 -5.648 1.00 0.00 H new ATOM 0 HA MET A 420 0.132 -5.726 -7.312 1.00 0.00 H new ATOM 0 HB2 MET A 420 0.383 -6.676 -5.092 1.00 0.00 H new ATOM 0 HB3 MET A 420 0.474 -5.087 -4.360 1.00 0.00 H new ATOM 0 HG2 MET A 420 -1.718 -5.650 -3.901 1.00 0.00 H new ATOM 0 HG3 MET A 420 -1.917 -4.746 -5.389 1.00 0.00 H new ATOM 0 HE1 MET A 420 -3.498 -8.726 -4.480 1.00 0.00 H new ATOM 0 HE2 MET A 420 -2.827 -7.456 -3.430 1.00 0.00 H new ATOM 0 HE3 MET A 420 -4.279 -7.129 -4.405 1.00 0.00 H new ATOM 630 N PHE A 421 0.498 -2.641 -6.351 1.00 0.00 N ATOM 631 CA PHE A 421 -0.022 -1.287 -6.497 1.00 0.00 C ATOM 632 C PHE A 421 0.677 -0.557 -7.640 1.00 0.00 C ATOM 633 O PHE A 421 0.161 0.426 -8.171 1.00 0.00 O ATOM 634 CB PHE A 421 0.156 -0.505 -5.194 1.00 0.00 C ATOM 635 CG PHE A 421 -0.892 -0.812 -4.162 1.00 0.00 C ATOM 636 CD1 PHE A 421 -1.221 -2.124 -3.860 1.00 0.00 C ATOM 637 CD2 PHE A 421 -1.548 0.211 -3.497 1.00 0.00 C ATOM 638 CE1 PHE A 421 -2.185 -2.410 -2.911 1.00 0.00 C ATOM 639 CE2 PHE A 421 -2.512 -0.070 -2.547 1.00 0.00 C ATOM 640 CZ PHE A 421 -2.832 -1.380 -2.254 1.00 0.00 C ATOM 0 H PHE A 421 1.435 -2.692 -5.951 1.00 0.00 H new ATOM 0 HA PHE A 421 -1.085 -1.356 -6.728 1.00 0.00 H new ATOM 0 HB2 PHE A 421 1.139 -0.726 -4.779 1.00 0.00 H new ATOM 0 HB3 PHE A 421 0.136 0.562 -5.415 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -0.719 -2.932 -4.372 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -1.304 1.238 -3.723 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -2.432 -3.436 -2.683 1.00 0.00 H new ATOM 0 HE2 PHE A 421 -3.015 0.736 -2.034 1.00 0.00 H new ATOM 0 HZ PHE A 421 -3.586 -1.600 -1.513 1.00 0.00 H new ATOM 650 N MET A 422 1.855 -1.046 -8.014 1.00 0.00 N ATOM 651 CA MET A 422 2.625 -0.441 -9.095 1.00 0.00 C ATOM 652 C MET A 422 1.754 -0.225 -10.328 1.00 0.00 C ATOM 653 O MET A 422 1.767 0.839 -10.948 1.00 0.00 O ATOM 654 CB MET A 422 3.823 -1.323 -9.452 1.00 0.00 C ATOM 655 CG MET A 422 5.098 -0.941 -8.718 1.00 0.00 C ATOM 656 SD MET A 422 6.054 0.313 -9.594 1.00 0.00 S ATOM 657 CE MET A 422 7.689 -0.420 -9.557 1.00 0.00 C ATOM 0 H MET A 422 2.297 -1.859 -7.585 1.00 0.00 H new ATOM 0 HA MET A 422 2.986 0.529 -8.752 1.00 0.00 H new ATOM 0 HB2 MET A 422 3.580 -2.361 -9.225 1.00 0.00 H new ATOM 0 HB3 MET A 422 4.000 -1.264 -10.526 1.00 0.00 H new ATOM 0 HG2 MET A 422 4.844 -0.571 -7.725 1.00 0.00 H new ATOM 0 HG3 MET A 422 5.713 -1.830 -8.579 1.00 0.00 H new ATOM 0 HE1 MET A 422 8.395 0.240 -10.062 1.00 0.00 H new ATOM 0 HE2 MET A 422 8.001 -0.562 -8.522 1.00 0.00 H new ATOM 0 HE3 MET A 422 7.667 -1.384 -10.065 1.00 0.00 H new ATOM 667 N PRO A 423 0.979 -1.256 -10.695 1.00 0.00 N ATOM 668 CA PRO A 423 0.087 -1.202 -11.857 1.00 0.00 C ATOM 669 C PRO A 423 -0.758 0.068 -11.882 1.00 0.00 C ATOM 670 O PRO A 423 -0.944 0.681 -12.933 1.00 0.00 O ATOM 671 CB PRO A 423 -0.804 -2.433 -11.678 1.00 0.00 C ATOM 672 CG PRO A 423 0.016 -3.380 -10.873 1.00 0.00 C ATOM 673 CD PRO A 423 0.912 -2.554 -10.003 1.00 0.00 C ATOM 0 HA PRO A 423 0.641 -1.193 -12.795 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -1.732 -2.179 -11.166 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -1.079 -2.866 -12.640 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -0.622 -4.024 -10.268 1.00 0.00 H new ATOM 0 HG3 PRO A 423 0.602 -4.031 -11.522 1.00 0.00 H new ATOM 0 HD2 PRO A 423 0.506 -2.450 -8.997 1.00 0.00 H new ATOM 0 HD3 PRO A 423 1.899 -3.005 -9.904 1.00 0.00 H new ATOM 681 N PHE A 424 -1.264 0.458 -10.717 1.00 0.00 N ATOM 682 CA PHE A 424 -2.089 1.656 -10.604 1.00 0.00 C ATOM 683 C PHE A 424 -1.266 2.912 -10.876 1.00 0.00 C ATOM 684 O PHE A 424 -1.757 3.875 -11.462 1.00 0.00 O ATOM 685 CB PHE A 424 -2.721 1.737 -9.212 1.00 0.00 C ATOM 686 CG PHE A 424 -3.724 0.653 -8.945 1.00 0.00 C ATOM 687 CD1 PHE A 424 -3.312 -0.598 -8.512 1.00 0.00 C ATOM 688 CD2 PHE A 424 -5.078 0.883 -9.125 1.00 0.00 C ATOM 689 CE1 PHE A 424 -4.234 -1.598 -8.266 1.00 0.00 C ATOM 690 CE2 PHE A 424 -6.004 -0.113 -8.880 1.00 0.00 C ATOM 691 CZ PHE A 424 -5.581 -1.355 -8.448 1.00 0.00 C ATOM 0 H PHE A 424 -1.118 -0.038 -9.838 1.00 0.00 H new ATOM 0 HA PHE A 424 -2.880 1.593 -11.351 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -1.933 1.685 -8.461 1.00 0.00 H new ATOM 0 HB3 PHE A 424 -3.207 2.706 -9.098 1.00 0.00 H new ATOM 0 HD1 PHE A 424 -2.260 -0.793 -8.365 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -5.414 1.853 -9.461 1.00 0.00 H new ATOM 0 HE1 PHE A 424 -3.901 -2.569 -7.931 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -7.057 0.079 -9.026 1.00 0.00 H new ATOM 0 HZ PHE A 424 -6.303 -2.135 -8.253 1.00 0.00 H new ATOM 701 N GLY A 425 -0.008 2.892 -10.444 1.00 0.00 N ATOM 702 CA GLY A 425 0.864 4.033 -10.650 1.00 0.00 C ATOM 703 C GLY A 425 2.200 3.875 -9.953 1.00 0.00 C ATOM 704 O GLY A 425 2.438 2.878 -9.271 1.00 0.00 O ATOM 0 H GLY A 425 0.422 2.106 -9.956 1.00 0.00 H new ATOM 0 HA2 GLY A 425 1.029 4.172 -11.718 1.00 0.00 H new ATOM 0 HA3 GLY A 425 0.371 4.934 -10.284 1.00 0.00 H new ATOM 708 N ASN A 426 3.077 4.858 -10.126 1.00 0.00 N ATOM 709 CA ASN A 426 4.399 4.823 -9.510 1.00 0.00 C ATOM 710 C ASN A 426 4.293 4.905 -7.990 1.00 0.00 C ATOM 711 O ASN A 426 3.848 5.913 -7.442 1.00 0.00 O ATOM 712 CB ASN A 426 5.261 5.972 -10.036 1.00 0.00 C ATOM 713 CG ASN A 426 5.094 6.184 -11.528 1.00 0.00 C ATOM 714 OD1 ASN A 426 4.949 5.229 -12.290 1.00 0.00 O ATOM 715 ND2 ASN A 426 5.115 7.442 -11.952 1.00 0.00 N ATOM 0 H ASN A 426 2.896 5.690 -10.688 1.00 0.00 H new ATOM 0 HA ASN A 426 4.870 3.876 -9.773 1.00 0.00 H new ATOM 0 HB2 ASN A 426 4.999 6.890 -9.510 1.00 0.00 H new ATOM 0 HB3 ASN A 426 6.309 5.767 -9.816 1.00 0.00 H new ATOM 0 HD21 ASN A 426 5.008 7.647 -12.945 1.00 0.00 H new ATOM 0 HD22 ASN A 426 5.238 8.203 -11.284 1.00 0.00 H new ATOM 722 N VAL A 427 4.706 3.836 -7.315 1.00 0.00 N ATOM 723 CA VAL A 427 4.659 3.788 -5.858 1.00 0.00 C ATOM 724 C VAL A 427 5.903 4.425 -5.248 1.00 0.00 C ATOM 725 O VAL A 427 7.028 4.119 -5.643 1.00 0.00 O ATOM 726 CB VAL A 427 4.535 2.340 -5.349 1.00 0.00 C ATOM 727 CG1 VAL A 427 4.555 2.305 -3.829 1.00 0.00 C ATOM 728 CG2 VAL A 427 3.269 1.692 -5.889 1.00 0.00 C ATOM 0 H VAL A 427 5.076 2.993 -7.753 1.00 0.00 H new ATOM 0 HA VAL A 427 3.778 4.350 -5.550 1.00 0.00 H new ATOM 0 HB VAL A 427 5.390 1.771 -5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 427 4.466 1.274 -3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 427 5.493 2.728 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 427 3.720 2.889 -3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 427 3.198 0.669 -5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 427 2.400 2.259 -5.557 1.00 0.00 H new ATOM 0 HG23 VAL A 427 3.301 1.682 -6.978 1.00 0.00 H new ATOM 738 N VAL A 428 5.692 5.314 -4.282 1.00 0.00 N ATOM 739 CA VAL A 428 6.794 5.994 -3.614 1.00 0.00 C ATOM 740 C VAL A 428 7.364 5.141 -2.486 1.00 0.00 C ATOM 741 O VAL A 428 8.566 5.162 -2.223 1.00 0.00 O ATOM 742 CB VAL A 428 6.352 7.353 -3.042 1.00 0.00 C ATOM 743 CG1 VAL A 428 7.437 7.937 -2.149 1.00 0.00 C ATOM 744 CG2 VAL A 428 6.002 8.315 -4.167 1.00 0.00 C ATOM 0 H VAL A 428 4.767 5.580 -3.945 1.00 0.00 H new ATOM 0 HA VAL A 428 7.565 6.159 -4.366 1.00 0.00 H new ATOM 0 HB VAL A 428 5.460 7.199 -2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 428 7.106 8.898 -1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 428 7.635 7.254 -1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 428 8.349 8.078 -2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 428 5.692 9.271 -3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 428 6.875 8.465 -4.802 1.00 0.00 H new ATOM 0 HG23 VAL A 428 5.188 7.899 -4.761 1.00 0.00 H new ATOM 754 N SER A 429 6.491 4.391 -1.820 1.00 0.00 N ATOM 755 CA SER A 429 6.906 3.532 -0.717 1.00 0.00 C ATOM 756 C SER A 429 6.015 2.297 -0.625 1.00 0.00 C ATOM 757 O SER A 429 4.813 2.365 -0.876 1.00 0.00 O ATOM 758 CB SER A 429 6.862 4.305 0.603 1.00 0.00 C ATOM 759 OG SER A 429 7.149 5.678 0.399 1.00 0.00 O ATOM 0 H SER A 429 5.492 4.361 -2.025 1.00 0.00 H new ATOM 0 HA SER A 429 7.929 3.207 -0.907 1.00 0.00 H new ATOM 0 HB2 SER A 429 5.877 4.200 1.057 1.00 0.00 H new ATOM 0 HB3 SER A 429 7.582 3.879 1.302 1.00 0.00 H new ATOM 0 HG SER A 429 6.622 6.219 1.023 1.00 0.00 H new ATOM 765 N ALA A 430 6.617 1.167 -0.264 1.00 0.00 N ATOM 766 CA ALA A 430 5.879 -0.083 -0.137 1.00 0.00 C ATOM 767 C ALA A 430 6.647 -1.089 0.714 1.00 0.00 C ATOM 768 O ALA A 430 7.764 -1.480 0.376 1.00 0.00 O ATOM 769 CB ALA A 430 5.588 -0.666 -1.512 1.00 0.00 C ATOM 0 H ALA A 430 7.613 1.093 -0.055 1.00 0.00 H new ATOM 0 HA ALA A 430 4.934 0.130 0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 430 5.036 -1.600 -1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 430 4.992 0.042 -2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 430 6.527 -0.858 -2.032 1.00 0.00 H new ATOM 775 N LYS A 431 6.041 -1.503 1.822 1.00 0.00 N ATOM 776 CA LYS A 431 6.666 -2.464 2.723 1.00 0.00 C ATOM 777 C LYS A 431 5.623 -3.144 3.603 1.00 0.00 C ATOM 778 O LYS A 431 4.496 -2.663 3.732 1.00 0.00 O ATOM 779 CB LYS A 431 7.711 -1.767 3.598 1.00 0.00 C ATOM 780 CG LYS A 431 8.023 -2.514 4.884 1.00 0.00 C ATOM 781 CD LYS A 431 9.044 -1.770 5.728 1.00 0.00 C ATOM 782 CE LYS A 431 9.352 -2.517 7.016 1.00 0.00 C ATOM 783 NZ LYS A 431 10.241 -3.688 6.779 1.00 0.00 N ATOM 0 H LYS A 431 5.117 -1.188 2.117 1.00 0.00 H new ATOM 0 HA LYS A 431 7.156 -3.226 2.118 1.00 0.00 H new ATOM 0 HB2 LYS A 431 8.631 -1.647 3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 431 7.357 -0.766 3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 431 7.106 -2.651 5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 431 8.402 -3.508 4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 431 9.962 -1.635 5.156 1.00 0.00 H new ATOM 0 HD3 LYS A 431 8.667 -0.775 5.964 1.00 0.00 H new ATOM 0 HE2 LYS A 431 9.827 -1.838 7.725 1.00 0.00 H new ATOM 0 HE3 LYS A 431 8.421 -2.854 7.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 10.427 -4.171 7.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 9.778 -4.348 6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 11.140 -3.364 6.368 1.00 0.00 H new ATOM 797 N VAL A 432 6.004 -4.264 4.208 1.00 0.00 N ATOM 798 CA VAL A 432 5.102 -5.009 5.078 1.00 0.00 C ATOM 799 C VAL A 432 5.600 -5.005 6.519 1.00 0.00 C ATOM 800 O VAL A 432 6.796 -4.862 6.774 1.00 0.00 O ATOM 801 CB VAL A 432 4.943 -6.466 4.605 1.00 0.00 C ATOM 802 CG1 VAL A 432 4.216 -7.292 5.656 1.00 0.00 C ATOM 803 CG2 VAL A 432 4.208 -6.517 3.274 1.00 0.00 C ATOM 0 H VAL A 432 6.932 -4.676 4.112 1.00 0.00 H new ATOM 0 HA VAL A 432 4.133 -4.512 5.031 1.00 0.00 H new ATOM 0 HB VAL A 432 5.935 -6.894 4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 432 4.113 -8.319 5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 432 4.786 -7.282 6.585 1.00 0.00 H new ATOM 0 HG13 VAL A 432 3.228 -6.868 5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 432 4.105 -7.554 2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 432 3.219 -6.072 3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 432 4.773 -5.962 2.525 1.00 0.00 H new ATOM 813 N PHE A 433 4.674 -5.164 7.459 1.00 0.00 N ATOM 814 CA PHE A 433 5.019 -5.178 8.876 1.00 0.00 C ATOM 815 C PHE A 433 5.094 -6.609 9.402 1.00 0.00 C ATOM 816 O PHE A 433 4.319 -7.474 8.994 1.00 0.00 O ATOM 817 CB PHE A 433 3.991 -4.380 9.680 1.00 0.00 C ATOM 818 CG PHE A 433 4.196 -2.894 9.609 1.00 0.00 C ATOM 819 CD1 PHE A 433 4.603 -2.294 8.429 1.00 0.00 C ATOM 820 CD2 PHE A 433 3.983 -2.098 10.723 1.00 0.00 C ATOM 821 CE1 PHE A 433 4.792 -0.926 8.359 1.00 0.00 C ATOM 822 CE2 PHE A 433 4.171 -0.730 10.659 1.00 0.00 C ATOM 823 CZ PHE A 433 4.578 -0.143 9.476 1.00 0.00 C ATOM 0 H PHE A 433 3.680 -5.285 7.265 1.00 0.00 H new ATOM 0 HA PHE A 433 5.999 -4.715 8.992 1.00 0.00 H new ATOM 0 HB2 PHE A 433 2.992 -4.619 9.315 1.00 0.00 H new ATOM 0 HB3 PHE A 433 4.033 -4.695 10.723 1.00 0.00 H new ATOM 0 HD1 PHE A 433 4.775 -2.902 7.553 1.00 0.00 H new ATOM 0 HD2 PHE A 433 3.667 -2.551 11.651 1.00 0.00 H new ATOM 0 HE1 PHE A 433 5.107 -0.470 7.432 1.00 0.00 H new ATOM 0 HE2 PHE A 433 4.000 -0.120 11.534 1.00 0.00 H new ATOM 0 HZ PHE A 433 4.728 0.925 9.425 1.00 0.00 H new ATOM 983 N CYS A 443 0.117 -9.521 8.034 1.00 0.00 N ATOM 984 CA CYS A 443 -0.963 -9.545 7.055 1.00 0.00 C ATOM 985 C CYS A 443 -1.392 -8.129 6.684 1.00 0.00 C ATOM 986 O CYS A 443 -2.550 -7.888 6.344 1.00 0.00 O ATOM 987 CB CYS A 443 -2.159 -10.326 7.603 1.00 0.00 C ATOM 988 SG CYS A 443 -1.723 -11.911 8.354 1.00 0.00 S ATOM 0 HA CYS A 443 -0.595 -10.041 6.157 1.00 0.00 H new ATOM 0 HB2 CYS A 443 -2.671 -9.713 8.345 1.00 0.00 H new ATOM 0 HB3 CYS A 443 -2.866 -10.502 6.793 1.00 0.00 H new ATOM 0 HG CYS A 443 -2.799 -12.496 8.789 1.00 0.00 H new ATOM 994 N PHE A 444 -0.450 -7.194 6.754 1.00 0.00 N ATOM 995 CA PHE A 444 -0.730 -5.801 6.428 1.00 0.00 C ATOM 996 C PHE A 444 0.561 -5.035 6.155 1.00 0.00 C ATOM 997 O PHE A 444 1.565 -5.223 6.842 1.00 0.00 O ATOM 998 CB PHE A 444 -1.501 -5.133 7.569 1.00 0.00 C ATOM 999 CG PHE A 444 -0.629 -4.721 8.720 1.00 0.00 C ATOM 1000 CD1 PHE A 444 0.272 -3.677 8.586 1.00 0.00 C ATOM 1001 CD2 PHE A 444 -0.711 -5.377 9.938 1.00 0.00 C ATOM 1002 CE1 PHE A 444 1.076 -3.296 9.643 1.00 0.00 C ATOM 1003 CE2 PHE A 444 0.090 -5.000 11.000 1.00 0.00 C ATOM 1004 CZ PHE A 444 0.984 -3.959 10.852 1.00 0.00 C ATOM 0 H PHE A 444 0.514 -7.376 7.034 1.00 0.00 H new ATOM 0 HA PHE A 444 -1.341 -5.781 5.525 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -2.018 -4.255 7.182 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -2.266 -5.820 7.931 1.00 0.00 H new ATOM 0 HD1 PHE A 444 0.347 -3.155 7.644 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -1.409 -6.192 10.059 1.00 0.00 H new ATOM 0 HE1 PHE A 444 1.775 -2.481 9.525 1.00 0.00 H new ATOM 0 HE2 PHE A 444 0.016 -5.519 11.944 1.00 0.00 H new ATOM 0 HZ PHE A 444 1.611 -3.663 11.680 1.00 0.00 H new ATOM 1014 N GLY A 445 0.528 -4.169 5.146 1.00 0.00 N ATOM 1015 CA GLY A 445 1.701 -3.389 4.799 1.00 0.00 C ATOM 1016 C GLY A 445 1.380 -1.925 4.580 1.00 0.00 C ATOM 1017 O GLY A 445 0.211 -1.534 4.559 1.00 0.00 O ATOM 0 H GLY A 445 -0.291 -3.994 4.563 1.00 0.00 H new ATOM 0 HA2 GLY A 445 2.442 -3.480 5.593 1.00 0.00 H new ATOM 0 HA3 GLY A 445 2.151 -3.798 3.895 1.00 0.00 H new ATOM 1021 N PHE A 446 2.417 -1.109 4.419 1.00 0.00 N ATOM 1022 CA PHE A 446 2.238 0.322 4.203 1.00 0.00 C ATOM 1023 C PHE A 446 2.608 0.707 2.774 1.00 0.00 C ATOM 1024 O PHE A 446 3.413 0.036 2.126 1.00 0.00 O ATOM 1025 CB PHE A 446 3.090 1.118 5.194 1.00 0.00 C ATOM 1026 CG PHE A 446 3.112 2.594 4.915 1.00 0.00 C ATOM 1027 CD1 PHE A 446 1.930 3.304 4.781 1.00 0.00 C ATOM 1028 CD2 PHE A 446 4.314 3.270 4.787 1.00 0.00 C ATOM 1029 CE1 PHE A 446 1.947 4.662 4.524 1.00 0.00 C ATOM 1030 CE2 PHE A 446 4.337 4.628 4.531 1.00 0.00 C ATOM 1031 CZ PHE A 446 3.152 5.325 4.400 1.00 0.00 C ATOM 0 H PHE A 446 3.390 -1.415 4.434 1.00 0.00 H new ATOM 0 HA PHE A 446 1.187 0.560 4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 446 2.710 0.953 6.202 1.00 0.00 H new ATOM 0 HB3 PHE A 446 4.111 0.737 5.171 1.00 0.00 H new ATOM 0 HD1 PHE A 446 0.985 2.791 4.878 1.00 0.00 H new ATOM 0 HD2 PHE A 446 5.244 2.730 4.888 1.00 0.00 H new ATOM 0 HE1 PHE A 446 1.019 5.204 4.420 1.00 0.00 H new ATOM 0 HE2 PHE A 446 5.281 5.144 4.433 1.00 0.00 H new ATOM 0 HZ PHE A 446 3.168 6.386 4.201 1.00 0.00 H new ATOM 1041 N VAL A 447 2.014 1.792 2.287 1.00 0.00 N ATOM 1042 CA VAL A 447 2.280 2.267 0.935 1.00 0.00 C ATOM 1043 C VAL A 447 1.955 3.751 0.800 1.00 0.00 C ATOM 1044 O VAL A 447 1.122 4.283 1.533 1.00 0.00 O ATOM 1045 CB VAL A 447 1.466 1.478 -0.109 1.00 0.00 C ATOM 1046 CG1 VAL A 447 1.607 2.109 -1.485 1.00 0.00 C ATOM 1047 CG2 VAL A 447 1.902 0.021 -0.133 1.00 0.00 C ATOM 0 H VAL A 447 1.345 2.358 2.809 1.00 0.00 H new ATOM 0 HA VAL A 447 3.343 2.112 0.749 1.00 0.00 H new ATOM 0 HB VAL A 447 0.414 1.514 0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 447 1.025 1.538 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 447 1.241 3.135 -1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 447 2.656 2.107 -1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 447 1.317 -0.522 -0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 447 2.960 -0.038 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 447 1.742 -0.423 0.850 1.00 0.00 H new ATOM 1057 N SER A 448 2.618 4.413 -0.142 1.00 0.00 N ATOM 1058 CA SER A 448 2.404 5.837 -0.372 1.00 0.00 C ATOM 1059 C SER A 448 2.751 6.215 -1.808 1.00 0.00 C ATOM 1060 O SER A 448 3.550 5.544 -2.462 1.00 0.00 O ATOM 1061 CB SER A 448 3.243 6.664 0.604 1.00 0.00 C ATOM 1062 OG SER A 448 2.552 6.874 1.822 1.00 0.00 O ATOM 0 H SER A 448 3.309 3.986 -0.759 1.00 0.00 H new ATOM 0 HA SER A 448 1.349 6.052 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 448 4.186 6.153 0.801 1.00 0.00 H new ATOM 0 HB3 SER A 448 3.490 7.625 0.152 1.00 0.00 H new ATOM 0 HG SER A 448 2.907 6.271 2.508 1.00 0.00 H new ATOM 1068 N TYR A 449 2.145 7.293 -2.292 1.00 0.00 N ATOM 1069 CA TYR A 449 2.388 7.759 -3.653 1.00 0.00 C ATOM 1070 C TYR A 449 2.978 9.167 -3.649 1.00 0.00 C ATOM 1071 O TYR A 449 3.271 9.726 -2.592 1.00 0.00 O ATOM 1072 CB TYR A 449 1.089 7.741 -4.460 1.00 0.00 C ATOM 1073 CG TYR A 449 0.720 6.371 -4.983 1.00 0.00 C ATOM 1074 CD1 TYR A 449 0.701 5.267 -4.141 1.00 0.00 C ATOM 1075 CD2 TYR A 449 0.391 6.182 -6.320 1.00 0.00 C ATOM 1076 CE1 TYR A 449 0.364 4.014 -4.614 1.00 0.00 C ATOM 1077 CE2 TYR A 449 0.054 4.933 -6.801 1.00 0.00 C ATOM 1078 CZ TYR A 449 0.041 3.851 -5.945 1.00 0.00 C ATOM 1079 OH TYR A 449 -0.294 2.605 -6.422 1.00 0.00 O ATOM 0 H TYR A 449 1.483 7.860 -1.763 1.00 0.00 H new ATOM 0 HA TYR A 449 3.106 7.084 -4.118 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.277 8.113 -3.835 1.00 0.00 H new ATOM 0 HB3 TYR A 449 1.184 8.428 -5.301 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.954 5.390 -3.098 1.00 0.00 H new ATOM 0 HD2 TYR A 449 0.399 7.026 -6.994 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.353 3.166 -3.945 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -0.198 4.803 -7.843 1.00 0.00 H new ATOM 0 HH TYR A 449 0.321 2.354 -7.143 1.00 0.00 H new ATOM 1089 N ASP A 450 3.148 9.733 -4.838 1.00 0.00 N ATOM 1090 CA ASP A 450 3.701 11.075 -4.973 1.00 0.00 C ATOM 1091 C ASP A 450 2.609 12.130 -4.828 1.00 0.00 C ATOM 1092 O ASP A 450 2.893 13.325 -4.750 1.00 0.00 O ATOM 1093 CB ASP A 450 4.399 11.228 -6.326 1.00 0.00 C ATOM 1094 CG ASP A 450 5.853 10.799 -6.279 1.00 0.00 C ATOM 1095 OD1 ASP A 450 6.714 11.653 -5.985 1.00 0.00 O ATOM 1096 OD2 ASP A 450 6.129 9.609 -6.537 1.00 0.00 O ATOM 0 H ASP A 450 2.911 9.283 -5.722 1.00 0.00 H new ATOM 0 HA ASP A 450 4.431 11.222 -4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 450 3.872 10.634 -7.073 1.00 0.00 H new ATOM 0 HB3 ASP A 450 4.340 12.268 -6.646 1.00 0.00 H new ATOM 1101 N ASN A 451 1.360 11.680 -4.794 1.00 0.00 N ATOM 1102 CA ASN A 451 0.225 12.585 -4.660 1.00 0.00 C ATOM 1103 C ASN A 451 -1.011 11.840 -4.165 1.00 0.00 C ATOM 1104 O ASN A 451 -1.152 10.630 -4.347 1.00 0.00 O ATOM 1105 CB ASN A 451 -0.077 13.261 -6.000 1.00 0.00 C ATOM 1106 CG ASN A 451 -0.127 12.271 -7.148 1.00 0.00 C ATOM 1107 OD1 ASN A 451 -1.196 11.979 -7.684 1.00 0.00 O ATOM 1108 ND2 ASN A 451 1.033 11.749 -7.529 1.00 0.00 N ATOM 0 H ASN A 451 1.108 10.694 -4.857 1.00 0.00 H new ATOM 0 HA ASN A 451 0.486 13.347 -3.926 1.00 0.00 H new ATOM 0 HB2 ASN A 451 -1.031 13.784 -5.933 1.00 0.00 H new ATOM 0 HB3 ASN A 451 0.685 14.013 -6.205 1.00 0.00 H new ATOM 0 HD21 ASN A 451 1.062 11.076 -8.295 1.00 0.00 H new ATOM 0 HD22 ASN A 451 1.895 12.021 -7.055 1.00 0.00 H new ATOM 1115 N PRO A 452 -1.929 12.577 -3.522 1.00 0.00 N ATOM 1116 CA PRO A 452 -3.170 12.006 -2.989 1.00 0.00 C ATOM 1117 C PRO A 452 -4.195 11.722 -4.081 1.00 0.00 C ATOM 1118 O PRO A 452 -5.230 11.105 -3.830 1.00 0.00 O ATOM 1119 CB PRO A 452 -3.683 13.096 -2.044 1.00 0.00 C ATOM 1120 CG PRO A 452 -3.140 14.367 -2.602 1.00 0.00 C ATOM 1121 CD PRO A 452 -1.828 14.023 -3.269 1.00 0.00 C ATOM 0 HA PRO A 452 -3.001 11.045 -2.503 1.00 0.00 H new ATOM 0 HB2 PRO A 452 -4.772 13.111 -2.012 1.00 0.00 H new ATOM 0 HB3 PRO A 452 -3.336 12.931 -1.024 1.00 0.00 H new ATOM 0 HG2 PRO A 452 -3.836 14.803 -3.319 1.00 0.00 H new ATOM 0 HG3 PRO A 452 -2.991 15.104 -1.813 1.00 0.00 H new ATOM 0 HD2 PRO A 452 -1.692 14.582 -4.195 1.00 0.00 H new ATOM 0 HD3 PRO A 452 -0.979 14.258 -2.627 1.00 0.00 H new ATOM 1129 N VAL A 453 -3.901 12.176 -5.295 1.00 0.00 N ATOM 1130 CA VAL A 453 -4.796 11.970 -6.427 1.00 0.00 C ATOM 1131 C VAL A 453 -4.604 10.584 -7.033 1.00 0.00 C ATOM 1132 O VAL A 453 -5.564 9.946 -7.466 1.00 0.00 O ATOM 1133 CB VAL A 453 -4.574 13.031 -7.520 1.00 0.00 C ATOM 1134 CG1 VAL A 453 -5.534 12.814 -8.679 1.00 0.00 C ATOM 1135 CG2 VAL A 453 -4.730 14.431 -6.943 1.00 0.00 C ATOM 0 H VAL A 453 -3.049 12.689 -5.520 1.00 0.00 H new ATOM 0 HA VAL A 453 -5.813 12.060 -6.046 1.00 0.00 H new ATOM 0 HB VAL A 453 -3.557 12.929 -7.899 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.362 13.574 -9.441 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -5.369 11.826 -9.108 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -6.561 12.887 -8.320 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -4.570 15.169 -7.729 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -5.734 14.547 -6.536 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -3.998 14.581 -6.150 1.00 0.00 H new ATOM 1145 N SER A 454 -3.357 10.123 -7.061 1.00 0.00 N ATOM 1146 CA SER A 454 -3.038 8.814 -7.618 1.00 0.00 C ATOM 1147 C SER A 454 -3.297 7.711 -6.596 1.00 0.00 C ATOM 1148 O SER A 454 -3.833 6.655 -6.929 1.00 0.00 O ATOM 1149 CB SER A 454 -1.578 8.771 -8.072 1.00 0.00 C ATOM 1150 OG SER A 454 -1.400 7.848 -9.132 1.00 0.00 O ATOM 0 H SER A 454 -2.551 10.637 -6.704 1.00 0.00 H new ATOM 0 HA SER A 454 -3.684 8.646 -8.480 1.00 0.00 H new ATOM 0 HB2 SER A 454 -1.265 9.764 -8.394 1.00 0.00 H new ATOM 0 HB3 SER A 454 -0.941 8.493 -7.232 1.00 0.00 H new ATOM 0 HG SER A 454 -0.459 7.841 -9.405 1.00 0.00 H new ATOM 1156 N ALA A 455 -2.911 7.966 -5.350 1.00 0.00 N ATOM 1157 CA ALA A 455 -3.103 6.998 -4.278 1.00 0.00 C ATOM 1158 C ALA A 455 -4.553 6.528 -4.215 1.00 0.00 C ATOM 1159 O ALA A 455 -4.821 5.343 -4.017 1.00 0.00 O ATOM 1160 CB ALA A 455 -2.682 7.597 -2.944 1.00 0.00 C ATOM 0 H ALA A 455 -2.463 8.835 -5.059 1.00 0.00 H new ATOM 0 HA ALA A 455 -2.477 6.131 -4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -2.831 6.863 -2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -1.629 7.876 -2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -3.284 8.482 -2.736 1.00 0.00 H new ATOM 1166 N GLN A 456 -5.481 7.464 -4.384 1.00 0.00 N ATOM 1167 CA GLN A 456 -6.903 7.143 -4.345 1.00 0.00 C ATOM 1168 C GLN A 456 -7.256 6.101 -5.402 1.00 0.00 C ATOM 1169 O GLN A 456 -7.956 5.129 -5.120 1.00 0.00 O ATOM 1170 CB GLN A 456 -7.738 8.407 -4.560 1.00 0.00 C ATOM 1171 CG GLN A 456 -8.001 9.186 -3.280 1.00 0.00 C ATOM 1172 CD GLN A 456 -9.098 8.568 -2.436 1.00 0.00 C ATOM 1173 OE1 GLN A 456 -8.725 8.038 -1.276 1.00 0.00 O flip ATOM 1174 NE2 GLN A 456 -10.267 8.566 -2.820 1.00 0.00 N flip ATOM 0 H GLN A 456 -5.275 8.449 -4.549 1.00 0.00 H new ATOM 0 HA GLN A 456 -7.129 6.728 -3.363 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -7.225 9.055 -5.271 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -8.691 8.131 -5.010 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -7.083 9.237 -2.695 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -8.275 10.210 -3.532 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -10.509 8.984 -3.718 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -10.994 8.146 -2.240 1.00 0.00 H new ATOM 1183 N ALA A 457 -6.767 6.311 -6.620 1.00 0.00 N ATOM 1184 CA ALA A 457 -7.028 5.391 -7.718 1.00 0.00 C ATOM 1185 C ALA A 457 -6.884 3.941 -7.266 1.00 0.00 C ATOM 1186 O ALA A 457 -7.680 3.081 -7.641 1.00 0.00 O ATOM 1187 CB ALA A 457 -6.093 5.677 -8.883 1.00 0.00 C ATOM 0 H ALA A 457 -6.187 7.112 -6.870 1.00 0.00 H new ATOM 0 HA ALA A 457 -8.056 5.542 -8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 457 -6.301 4.981 -9.696 1.00 0.00 H new ATOM 0 HB2 ALA A 457 -6.248 6.698 -9.231 1.00 0.00 H new ATOM 0 HB3 ALA A 457 -5.060 5.557 -8.558 1.00 0.00 H new ATOM 1193 N ALA A 458 -5.862 3.678 -6.458 1.00 0.00 N ATOM 1194 CA ALA A 458 -5.614 2.333 -5.953 1.00 0.00 C ATOM 1195 C ALA A 458 -6.768 1.852 -5.081 1.00 0.00 C ATOM 1196 O ALA A 458 -7.500 0.934 -5.455 1.00 0.00 O ATOM 1197 CB ALA A 458 -4.308 2.295 -5.172 1.00 0.00 C ATOM 0 H ALA A 458 -5.193 4.378 -6.139 1.00 0.00 H new ATOM 0 HA ALA A 458 -5.534 1.660 -6.807 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -4.135 1.285 -4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -3.485 2.587 -5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -4.367 2.986 -4.331 1.00 0.00 H new ATOM 1203 N ILE A 459 -6.926 2.476 -3.919 1.00 0.00 N ATOM 1204 CA ILE A 459 -7.993 2.111 -2.994 1.00 0.00 C ATOM 1205 C ILE A 459 -9.332 2.003 -3.716 1.00 0.00 C ATOM 1206 O ILE A 459 -10.099 1.071 -3.482 1.00 0.00 O ATOM 1207 CB ILE A 459 -8.119 3.133 -1.850 1.00 0.00 C ATOM 1208 CG1 ILE A 459 -6.799 3.241 -1.084 1.00 0.00 C ATOM 1209 CG2 ILE A 459 -9.252 2.740 -0.912 1.00 0.00 C ATOM 1210 CD1 ILE A 459 -6.762 4.394 -0.104 1.00 0.00 C ATOM 0 H ILE A 459 -6.329 3.237 -3.595 1.00 0.00 H new ATOM 0 HA ILE A 459 -7.730 1.140 -2.574 1.00 0.00 H new ATOM 0 HB ILE A 459 -8.349 4.109 -2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 459 -6.624 2.310 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 459 -5.982 3.354 -1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 459 -9.329 3.472 -0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 459 -10.190 2.710 -1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 459 -9.049 1.756 -0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 459 -5.797 4.410 0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 459 -6.905 5.332 -0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 459 -7.557 4.272 0.632 1.00 0.00 H new ATOM 1222 N GLN A 460 -9.603 2.962 -4.595 1.00 0.00 N ATOM 1223 CA GLN A 460 -10.850 2.974 -5.351 1.00 0.00 C ATOM 1224 C GLN A 460 -11.259 1.559 -5.747 1.00 0.00 C ATOM 1225 O GLN A 460 -12.432 1.194 -5.658 1.00 0.00 O ATOM 1226 CB GLN A 460 -10.704 3.843 -6.601 1.00 0.00 C ATOM 1227 CG GLN A 460 -10.868 5.331 -6.330 1.00 0.00 C ATOM 1228 CD GLN A 460 -11.330 6.099 -7.552 1.00 0.00 C ATOM 1229 OE1 GLN A 460 -10.558 6.333 -8.482 1.00 0.00 O ATOM 1230 NE2 GLN A 460 -12.598 6.496 -7.557 1.00 0.00 N ATOM 0 H GLN A 460 -8.977 3.740 -4.801 1.00 0.00 H new ATOM 0 HA GLN A 460 -11.628 3.394 -4.714 1.00 0.00 H new ATOM 0 HB2 GLN A 460 -9.723 3.668 -7.042 1.00 0.00 H new ATOM 0 HB3 GLN A 460 -11.445 3.532 -7.338 1.00 0.00 H new ATOM 0 HG2 GLN A 460 -11.587 5.472 -5.523 1.00 0.00 H new ATOM 0 HG3 GLN A 460 -9.918 5.741 -5.986 1.00 0.00 H new ATOM 0 HE21 GLN A 460 -13.203 6.280 -6.765 1.00 0.00 H new ATOM 0 HE22 GLN A 460 -12.966 7.016 -8.353 1.00 0.00 H new ATOM 1239 N SER A 461 -10.286 0.766 -6.184 1.00 0.00 N ATOM 1240 CA SER A 461 -10.547 -0.608 -6.597 1.00 0.00 C ATOM 1241 C SER A 461 -10.086 -1.593 -5.528 1.00 0.00 C ATOM 1242 O SER A 461 -10.867 -2.410 -5.042 1.00 0.00 O ATOM 1243 CB SER A 461 -9.840 -0.906 -7.921 1.00 0.00 C ATOM 1244 OG SER A 461 -10.673 -0.598 -9.024 1.00 0.00 O ATOM 0 H SER A 461 -9.310 1.051 -6.261 1.00 0.00 H new ATOM 0 HA SER A 461 -11.622 -0.724 -6.733 1.00 0.00 H new ATOM 0 HB2 SER A 461 -8.919 -0.326 -7.984 1.00 0.00 H new ATOM 0 HB3 SER A 461 -9.557 -1.958 -7.957 1.00 0.00 H new ATOM 0 HG SER A 461 -10.198 -0.796 -9.858 1.00 0.00 H new ATOM 1250 N MET A 462 -8.809 -1.509 -5.165 1.00 0.00 N ATOM 1251 CA MET A 462 -8.244 -2.392 -4.152 1.00 0.00 C ATOM 1252 C MET A 462 -9.200 -2.554 -2.975 1.00 0.00 C ATOM 1253 O MET A 462 -9.391 -3.657 -2.466 1.00 0.00 O ATOM 1254 CB MET A 462 -6.901 -1.847 -3.662 1.00 0.00 C ATOM 1255 CG MET A 462 -5.842 -1.770 -4.750 1.00 0.00 C ATOM 1256 SD MET A 462 -5.725 -3.289 -5.714 1.00 0.00 S ATOM 1257 CE MET A 462 -5.163 -4.441 -4.463 1.00 0.00 C ATOM 0 H MET A 462 -8.148 -0.839 -5.557 1.00 0.00 H new ATOM 0 HA MET A 462 -8.088 -3.370 -4.606 1.00 0.00 H new ATOM 0 HB2 MET A 462 -7.053 -0.852 -3.244 1.00 0.00 H new ATOM 0 HB3 MET A 462 -6.534 -2.480 -2.854 1.00 0.00 H new ATOM 0 HG2 MET A 462 -6.071 -0.938 -5.416 1.00 0.00 H new ATOM 0 HG3 MET A 462 -4.874 -1.557 -4.295 1.00 0.00 H new ATOM 0 HE1 MET A 462 -4.227 -4.899 -4.784 1.00 0.00 H new ATOM 0 HE2 MET A 462 -5.004 -3.910 -3.525 1.00 0.00 H new ATOM 0 HE3 MET A 462 -5.915 -5.216 -4.318 1.00 0.00 H new ATOM 1267 N ASN A 463 -9.799 -1.446 -2.549 1.00 0.00 N ATOM 1268 CA ASN A 463 -10.735 -1.465 -1.431 1.00 0.00 C ATOM 1269 C ASN A 463 -11.671 -2.666 -1.526 1.00 0.00 C ATOM 1270 O ASN A 463 -12.645 -2.649 -2.277 1.00 0.00 O ATOM 1271 CB ASN A 463 -11.550 -0.170 -1.399 1.00 0.00 C ATOM 1272 CG ASN A 463 -12.810 -0.301 -0.565 1.00 0.00 C ATOM 1273 OD1 ASN A 463 -12.767 -0.768 0.574 1.00 0.00 O ATOM 1274 ND2 ASN A 463 -13.938 0.113 -1.128 1.00 0.00 N ATOM 0 H ASN A 463 -9.653 -0.525 -2.961 1.00 0.00 H new ATOM 0 HA ASN A 463 -10.160 -1.547 -0.509 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -10.934 0.634 -0.997 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -11.819 0.112 -2.417 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -14.817 0.051 -0.614 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -13.926 0.493 -2.074 1.00 0.00 H new ATOM 1281 N GLY A 464 -11.368 -3.709 -0.758 1.00 0.00 N ATOM 1282 CA GLY A 464 -12.191 -4.904 -0.770 1.00 0.00 C ATOM 1283 C GLY A 464 -11.839 -5.839 -1.910 1.00 0.00 C ATOM 1284 O GLY A 464 -12.702 -6.545 -2.433 1.00 0.00 O ATOM 0 H GLY A 464 -10.567 -3.747 -0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 464 -12.075 -5.431 0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 464 -13.240 -4.618 -0.849 1.00 0.00 H new ATOM 1288 N PHE A 465 -10.568 -5.844 -2.299 1.00 0.00 N ATOM 1289 CA PHE A 465 -10.104 -6.698 -3.386 1.00 0.00 C ATOM 1290 C PHE A 465 -10.238 -8.172 -3.016 1.00 0.00 C ATOM 1291 O PHE A 465 -9.607 -8.644 -2.071 1.00 0.00 O ATOM 1292 CB PHE A 465 -8.649 -6.376 -3.730 1.00 0.00 C ATOM 1293 CG PHE A 465 -8.139 -7.118 -4.932 1.00 0.00 C ATOM 1294 CD1 PHE A 465 -8.267 -6.576 -6.202 1.00 0.00 C ATOM 1295 CD2 PHE A 465 -7.532 -8.356 -4.794 1.00 0.00 C ATOM 1296 CE1 PHE A 465 -7.800 -7.257 -7.311 1.00 0.00 C ATOM 1297 CE2 PHE A 465 -7.062 -9.041 -5.899 1.00 0.00 C ATOM 1298 CZ PHE A 465 -7.195 -8.489 -7.158 1.00 0.00 C ATOM 0 H PHE A 465 -9.841 -5.266 -1.877 1.00 0.00 H new ATOM 0 HA PHE A 465 -10.728 -6.504 -4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 465 -8.554 -5.305 -3.907 1.00 0.00 H new ATOM 0 HB3 PHE A 465 -8.020 -6.614 -2.872 1.00 0.00 H new ATOM 0 HD1 PHE A 465 -8.737 -5.611 -6.326 1.00 0.00 H new ATOM 0 HD2 PHE A 465 -7.425 -8.791 -3.811 1.00 0.00 H new ATOM 0 HE1 PHE A 465 -7.908 -6.826 -8.295 1.00 0.00 H new ATOM 0 HE2 PHE A 465 -6.592 -10.006 -5.778 1.00 0.00 H new ATOM 0 HZ PHE A 465 -6.826 -9.021 -8.023 1.00 0.00 H new ATOM 1308 N GLN A 466 -11.066 -8.892 -3.766 1.00 0.00 N ATOM 1309 CA GLN A 466 -11.284 -10.312 -3.515 1.00 0.00 C ATOM 1310 C GLN A 466 -10.083 -11.135 -3.971 1.00 0.00 C ATOM 1311 O GLN A 466 -9.876 -11.340 -5.166 1.00 0.00 O ATOM 1312 CB GLN A 466 -12.547 -10.790 -4.234 1.00 0.00 C ATOM 1313 CG GLN A 466 -12.970 -12.198 -3.847 1.00 0.00 C ATOM 1314 CD GLN A 466 -13.745 -12.238 -2.546 1.00 0.00 C ATOM 1315 OE1 GLN A 466 -14.588 -11.378 -2.284 1.00 0.00 O ATOM 1316 NE2 GLN A 466 -13.464 -13.237 -1.719 1.00 0.00 N ATOM 0 H GLN A 466 -11.597 -8.516 -4.552 1.00 0.00 H new ATOM 0 HA GLN A 466 -11.411 -10.451 -2.441 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -13.363 -10.101 -4.015 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -12.379 -10.753 -5.310 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -13.582 -12.621 -4.643 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -12.085 -12.827 -3.757 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -12.759 -13.928 -1.975 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -13.953 -13.314 -0.827 1.00 0.00 H new ATOM 1325 N ILE A 467 -9.295 -11.604 -3.009 1.00 0.00 N ATOM 1326 CA ILE A 467 -8.116 -12.406 -3.312 1.00 0.00 C ATOM 1327 C ILE A 467 -8.248 -13.814 -2.741 1.00 0.00 C ATOM 1328 O ILE A 467 -8.265 -14.003 -1.525 1.00 0.00 O ATOM 1329 CB ILE A 467 -6.836 -11.756 -2.754 1.00 0.00 C ATOM 1330 CG1 ILE A 467 -5.597 -12.470 -3.298 1.00 0.00 C ATOM 1331 CG2 ILE A 467 -6.845 -11.785 -1.233 1.00 0.00 C ATOM 1332 CD1 ILE A 467 -4.295 -11.817 -2.889 1.00 0.00 C ATOM 0 H ILE A 467 -9.452 -11.443 -2.014 1.00 0.00 H new ATOM 0 HA ILE A 467 -8.042 -12.462 -4.398 1.00 0.00 H new ATOM 0 HB ILE A 467 -6.805 -10.715 -3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -5.601 -13.503 -2.950 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -5.653 -12.500 -4.386 1.00 0.00 H new ATOM 0 HG21 ILE A 467 -5.934 -11.322 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 467 -7.711 -11.236 -0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 467 -6.897 -12.818 -0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -3.459 -12.376 -3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -4.270 -10.792 -3.260 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -4.217 -11.811 -1.802 1.00 0.00 H new ATOM 1344 N GLY A 468 -8.338 -14.800 -3.629 1.00 0.00 N ATOM 1345 CA GLY A 468 -8.465 -16.179 -3.196 1.00 0.00 C ATOM 1346 C GLY A 468 -9.826 -16.475 -2.596 1.00 0.00 C ATOM 1347 O GLY A 468 -10.812 -16.613 -3.317 1.00 0.00 O ATOM 0 H GLY A 468 -8.325 -14.668 -4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 468 -8.294 -16.841 -4.045 1.00 0.00 H new ATOM 0 HA3 GLY A 468 -7.691 -16.398 -2.460 1.00 0.00 H new ATOM 1351 N MET A 469 -9.877 -16.574 -1.271 1.00 0.00 N ATOM 1352 CA MET A 469 -11.128 -16.857 -0.575 1.00 0.00 C ATOM 1353 C MET A 469 -11.461 -15.747 0.415 1.00 0.00 C ATOM 1354 O MET A 469 -12.423 -15.848 1.177 1.00 0.00 O ATOM 1355 CB MET A 469 -11.037 -18.198 0.155 1.00 0.00 C ATOM 1356 CG MET A 469 -12.372 -18.914 0.279 1.00 0.00 C ATOM 1357 SD MET A 469 -13.276 -18.448 1.768 1.00 0.00 S ATOM 1358 CE MET A 469 -12.144 -19.007 3.039 1.00 0.00 C ATOM 0 H MET A 469 -9.069 -16.463 -0.659 1.00 0.00 H new ATOM 0 HA MET A 469 -11.925 -16.909 -1.317 1.00 0.00 H new ATOM 0 HB2 MET A 469 -10.336 -18.843 -0.374 1.00 0.00 H new ATOM 0 HB3 MET A 469 -10.629 -18.033 1.152 1.00 0.00 H new ATOM 0 HG2 MET A 469 -12.982 -18.691 -0.596 1.00 0.00 H new ATOM 0 HG3 MET A 469 -12.203 -19.991 0.284 1.00 0.00 H new ATOM 0 HE1 MET A 469 -12.707 -19.292 3.928 1.00 0.00 H new ATOM 0 HE2 MET A 469 -11.583 -19.867 2.674 1.00 0.00 H new ATOM 0 HE3 MET A 469 -11.453 -18.202 3.290 1.00 0.00 H new ATOM 1368 N LYS A 470 -10.661 -14.686 0.401 1.00 0.00 N ATOM 1369 CA LYS A 470 -10.870 -13.555 1.296 1.00 0.00 C ATOM 1370 C LYS A 470 -10.816 -12.237 0.532 1.00 0.00 C ATOM 1371 O LYS A 470 -10.671 -12.224 -0.691 1.00 0.00 O ATOM 1372 CB LYS A 470 -9.818 -13.556 2.408 1.00 0.00 C ATOM 1373 CG LYS A 470 -8.434 -13.964 1.934 1.00 0.00 C ATOM 1374 CD LYS A 470 -7.344 -13.263 2.727 1.00 0.00 C ATOM 1375 CE LYS A 470 -6.907 -14.091 3.927 1.00 0.00 C ATOM 1376 NZ LYS A 470 -7.958 -14.138 4.980 1.00 0.00 N ATOM 0 H LYS A 470 -9.860 -14.586 -0.222 1.00 0.00 H new ATOM 0 HA LYS A 470 -11.860 -13.655 1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 470 -9.764 -12.560 2.847 1.00 0.00 H new ATOM 0 HB3 LYS A 470 -10.137 -14.235 3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 470 -8.319 -15.044 2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 470 -8.326 -13.726 0.876 1.00 0.00 H new ATOM 0 HD2 LYS A 470 -6.486 -13.076 2.081 1.00 0.00 H new ATOM 0 HD3 LYS A 470 -7.706 -12.292 3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 470 -6.672 -15.105 3.603 1.00 0.00 H new ATOM 0 HE3 LYS A 470 -5.993 -13.670 4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 -7.533 -14.436 5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 -8.380 -13.194 5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 -8.696 -14.817 4.704 1.00 0.00 H new ATOM 1390 N ARG A 471 -10.931 -11.131 1.259 1.00 0.00 N ATOM 1391 CA ARG A 471 -10.895 -9.807 0.647 1.00 0.00 C ATOM 1392 C ARG A 471 -9.789 -8.955 1.263 1.00 0.00 C ATOM 1393 O ARG A 471 -9.258 -9.281 2.325 1.00 0.00 O ATOM 1394 CB ARG A 471 -12.245 -9.108 0.813 1.00 0.00 C ATOM 1395 CG ARG A 471 -13.241 -9.436 -0.288 1.00 0.00 C ATOM 1396 CD ARG A 471 -14.471 -8.545 -0.210 1.00 0.00 C ATOM 1397 NE ARG A 471 -15.631 -9.159 -0.851 1.00 0.00 N ATOM 1398 CZ ARG A 471 -16.763 -8.508 -1.099 1.00 0.00 C ATOM 1399 NH1 ARG A 471 -16.884 -7.232 -0.762 1.00 0.00 N ATOM 1400 NH2 ARG A 471 -17.775 -9.135 -1.686 1.00 0.00 N ATOM 0 H ARG A 471 -11.050 -11.125 2.272 1.00 0.00 H new ATOM 0 HA ARG A 471 -10.687 -9.930 -0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -12.674 -9.389 1.775 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -12.086 -8.030 0.838 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -12.763 -9.314 -1.260 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -13.542 -10.481 -0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -14.702 -8.336 0.835 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -14.257 -7.588 -0.687 1.00 0.00 H new ATOM 0 HE ARG A 471 -15.569 -10.140 -1.123 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -16.108 -6.748 -0.311 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -17.754 -6.734 -0.953 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -17.684 -10.117 -1.947 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -18.643 -8.635 -1.876 1.00 0.00 H new ATOM 1414 N LEU A 472 -9.448 -7.861 0.589 1.00 0.00 N ATOM 1415 CA LEU A 472 -8.406 -6.962 1.069 1.00 0.00 C ATOM 1416 C LEU A 472 -9.009 -5.671 1.614 1.00 0.00 C ATOM 1417 O LEU A 472 -10.170 -5.355 1.351 1.00 0.00 O ATOM 1418 CB LEU A 472 -7.421 -6.643 -0.057 1.00 0.00 C ATOM 1419 CG LEU A 472 -6.740 -7.843 -0.714 1.00 0.00 C ATOM 1420 CD1 LEU A 472 -5.707 -7.381 -1.730 1.00 0.00 C ATOM 1421 CD2 LEU A 472 -6.096 -8.734 0.339 1.00 0.00 C ATOM 0 H LEU A 472 -9.878 -7.576 -0.291 1.00 0.00 H new ATOM 0 HA LEU A 472 -7.873 -7.462 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 472 -7.951 -6.084 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 472 -6.648 -5.984 0.339 1.00 0.00 H new ATOM 0 HG LEU A 472 -7.498 -8.425 -1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 472 -5.233 -8.249 -2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 472 -6.196 -6.786 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 472 -4.951 -6.776 -1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 472 -5.616 -9.583 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 472 -5.350 -8.163 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 472 -6.860 -9.095 1.027 1.00 0.00 H new ATOM 1433 N LYS A 473 -8.212 -4.926 2.373 1.00 0.00 N ATOM 1434 CA LYS A 473 -8.664 -3.667 2.953 1.00 0.00 C ATOM 1435 C LYS A 473 -7.578 -2.601 2.855 1.00 0.00 C ATOM 1436 O LYS A 473 -6.600 -2.627 3.602 1.00 0.00 O ATOM 1437 CB LYS A 473 -9.065 -3.870 4.416 1.00 0.00 C ATOM 1438 CG LYS A 473 -9.349 -2.573 5.155 1.00 0.00 C ATOM 1439 CD LYS A 473 -9.079 -2.710 6.644 1.00 0.00 C ATOM 1440 CE LYS A 473 -10.013 -1.830 7.462 1.00 0.00 C ATOM 1441 NZ LYS A 473 -9.373 -1.366 8.724 1.00 0.00 N ATOM 0 H LYS A 473 -7.249 -5.173 2.601 1.00 0.00 H new ATOM 0 HA LYS A 473 -9.533 -3.328 2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -9.951 -4.503 4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -8.268 -4.405 4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -8.730 -1.776 4.744 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -10.388 -2.283 4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -9.203 -3.751 6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -8.044 -2.439 6.854 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -10.312 -0.967 6.868 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -10.921 -2.385 7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -10.106 -1.039 9.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -8.844 -2.151 9.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -8.721 -0.583 8.515 1.00 0.00 H new ATOM 1455 N VAL A 474 -7.757 -1.663 1.931 1.00 0.00 N ATOM 1456 CA VAL A 474 -6.793 -0.587 1.737 1.00 0.00 C ATOM 1457 C VAL A 474 -7.371 0.754 2.178 1.00 0.00 C ATOM 1458 O VAL A 474 -8.537 1.052 1.924 1.00 0.00 O ATOM 1459 CB VAL A 474 -6.353 -0.484 0.264 1.00 0.00 C ATOM 1460 CG1 VAL A 474 -5.109 0.381 0.137 1.00 0.00 C ATOM 1461 CG2 VAL A 474 -6.112 -1.869 -0.316 1.00 0.00 C ATOM 0 H VAL A 474 -8.561 -1.627 1.305 1.00 0.00 H new ATOM 0 HA VAL A 474 -5.925 -0.826 2.351 1.00 0.00 H new ATOM 0 HB VAL A 474 -7.153 -0.011 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 474 -4.814 0.442 -0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -5.322 1.382 0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 474 -4.299 -0.060 0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 474 -5.802 -1.779 -1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 474 -5.330 -2.371 0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 474 -7.032 -2.452 -0.261 1.00 0.00 H new ATOM 1471 N GLN A 475 -6.544 1.558 2.840 1.00 0.00 N ATOM 1472 CA GLN A 475 -6.974 2.868 3.317 1.00 0.00 C ATOM 1473 C GLN A 475 -5.778 3.791 3.522 1.00 0.00 C ATOM 1474 O GLN A 475 -4.695 3.346 3.906 1.00 0.00 O ATOM 1475 CB GLN A 475 -7.755 2.727 4.625 1.00 0.00 C ATOM 1476 CG GLN A 475 -7.033 1.904 5.679 1.00 0.00 C ATOM 1477 CD GLN A 475 -7.986 1.202 6.626 1.00 0.00 C ATOM 1478 OE1 GLN A 475 -8.435 0.087 6.359 1.00 0.00 O ATOM 1479 NE2 GLN A 475 -8.301 1.854 7.739 1.00 0.00 N ATOM 0 H GLN A 475 -5.575 1.326 3.058 1.00 0.00 H new ATOM 0 HA GLN A 475 -7.624 3.307 2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -7.957 3.720 5.027 1.00 0.00 H new ATOM 0 HB3 GLN A 475 -8.720 2.266 4.414 1.00 0.00 H new ATOM 0 HG2 GLN A 475 -6.404 1.162 5.187 1.00 0.00 H new ATOM 0 HG3 GLN A 475 -6.371 2.554 6.251 1.00 0.00 H new ATOM 0 HE21 GLN A 475 -7.905 2.777 7.919 1.00 0.00 H new ATOM 0 HE22 GLN A 475 -8.939 1.432 8.414 1.00 0.00 H new ATOM 1488 N LEU A 476 -5.980 5.078 3.264 1.00 0.00 N ATOM 1489 CA LEU A 476 -4.917 6.066 3.421 1.00 0.00 C ATOM 1490 C LEU A 476 -4.947 6.681 4.816 1.00 0.00 C ATOM 1491 O LEU A 476 -5.963 7.230 5.243 1.00 0.00 O ATOM 1492 CB LEU A 476 -5.054 7.163 2.363 1.00 0.00 C ATOM 1493 CG LEU A 476 -6.087 8.252 2.656 1.00 0.00 C ATOM 1494 CD1 LEU A 476 -5.537 9.253 3.661 1.00 0.00 C ATOM 1495 CD2 LEU A 476 -6.499 8.955 1.371 1.00 0.00 C ATOM 0 H LEU A 476 -6.869 5.462 2.945 1.00 0.00 H new ATOM 0 HA LEU A 476 -3.961 5.560 3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 476 -4.082 7.638 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 476 -5.309 6.694 1.413 1.00 0.00 H new ATOM 0 HG LEU A 476 -6.970 7.782 3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 476 -6.286 10.020 3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 476 -5.292 8.739 4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 476 -4.638 9.718 3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 476 -7.234 9.727 1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 476 -5.624 9.412 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 476 -6.934 8.230 0.683 1.00 0.00 H new ATOM 1507 N LYS A 477 -3.825 6.591 5.522 1.00 0.00 N ATOM 1508 CA LYS A 477 -3.719 7.142 6.868 1.00 0.00 C ATOM 1509 C LYS A 477 -4.417 8.495 6.957 1.00 0.00 C ATOM 1510 O LYS A 477 -3.965 9.477 6.369 1.00 0.00 O ATOM 1511 CB LYS A 477 -2.249 7.286 7.268 1.00 0.00 C ATOM 1512 CG LYS A 477 -2.048 7.590 8.742 1.00 0.00 C ATOM 1513 CD LYS A 477 -0.709 7.072 9.241 1.00 0.00 C ATOM 1514 CE LYS A 477 -0.505 7.381 10.716 1.00 0.00 C ATOM 1515 NZ LYS A 477 -1.175 6.380 11.591 1.00 0.00 N ATOM 0 H LYS A 477 -2.975 6.141 5.184 1.00 0.00 H new ATOM 0 HA LYS A 477 -4.210 6.454 7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 477 -1.722 6.365 7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 477 -1.796 8.082 6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 477 -2.106 8.666 8.904 1.00 0.00 H new ATOM 0 HG3 LYS A 477 -2.853 7.137 9.321 1.00 0.00 H new ATOM 0 HD2 LYS A 477 -0.653 5.995 9.083 1.00 0.00 H new ATOM 0 HD3 LYS A 477 0.096 7.522 8.659 1.00 0.00 H new ATOM 0 HE2 LYS A 477 0.562 7.401 10.938 1.00 0.00 H new ATOM 0 HE3 LYS A 477 -0.895 8.375 10.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 -1.012 6.626 12.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 -2.197 6.378 11.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 -0.785 5.435 11.400 1.00 0.00 H new