USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 399 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 72 ASN :FLIP amide:sc= -1.96! C(o=-17!,f=-5!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ 168:sc= -3.08! (180deg=-2.46!) USER MOD Single : A 22 LYS NZ :NH3+ 150:sc= 0.0967 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= -1.27 USER MOD Single : A 35 GLN : amide:sc= -4.81! C(o=-4.8!,f=-9!) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.529 USER MOD Single : A 38 GLN :FLIP amide:sc= -1.48 F(o=-2.2!,f=-1.5) USER MOD Single : A 40 TYR OH : rot 18:sc= 0.0731 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 48 ASN :FLIP amide:sc= -2.9! C(o=-8.7!,f=-2.9!) USER MOD Single : A 53 LYS NZ :NH3+ 133:sc= -2.88! (180deg=-5.94!) USER MOD Single : A 68 CYS SG : rot -146:sc= -3.06! USER MOD Single : A 73 THR OG1 : rot 65:sc= 0.823 USER MOD Single : A 75 ASN : amide:sc= -10.8! C(o=-11!,f=-14!) USER MOD Single : A 77 CYS SG : rot 41:sc= 0.777 USER MOD ----------------------------------------------------------------- ATOM 293 N GLU A 20 4.210 8.724 -2.381 1.00 1.00 N ATOM 294 CA GLU A 20 3.307 7.689 -1.896 1.00 1.00 C ATOM 295 C GLU A 20 2.091 7.584 -2.807 1.00 1.00 C ATOM 296 O GLU A 20 1.632 6.488 -3.122 1.00 1.00 O ATOM 297 CB GLU A 20 2.858 8.007 -0.470 1.00 1.00 C ATOM 298 CG GLU A 20 3.955 7.596 0.515 1.00 1.00 C ATOM 299 CD GLU A 20 3.582 8.037 1.926 1.00 1.00 C ATOM 300 OE1 GLU A 20 3.328 9.216 2.108 1.00 1.00 O ATOM 301 OE2 GLU A 20 3.556 7.191 2.804 1.00 1.00 O ATOM 0 HA GLU A 20 3.837 6.736 -1.898 1.00 1.00 H new ATOM 0 HB2 GLU A 20 2.648 9.072 -0.373 1.00 1.00 H new ATOM 0 HB3 GLU A 20 1.933 7.477 -0.242 1.00 1.00 H new ATOM 0 HG2 GLU A 20 4.093 6.515 0.488 1.00 1.00 H new ATOM 0 HG3 GLU A 20 4.904 8.046 0.224 1.00 1.00 H new ATOM 308 N ALA A 21 1.573 8.733 -3.225 1.00 1.00 N ATOM 309 CA ALA A 21 0.410 8.762 -4.103 1.00 1.00 C ATOM 310 C ALA A 21 0.700 8.009 -5.398 1.00 1.00 C ATOM 311 O ALA A 21 -0.003 7.061 -5.748 1.00 1.00 O ATOM 312 CB ALA A 21 0.037 10.207 -4.430 1.00 1.00 C ATOM 0 H ALA A 21 1.937 9.651 -2.972 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.421 8.279 -3.589 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -0.833 10.219 -5.087 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -0.197 10.740 -3.508 1.00 1.00 H new ATOM 0 HB3 ALA A 21 0.874 10.695 -4.929 1.00 1.00 H new ATOM 318 N LYS A 22 1.735 8.445 -6.109 1.00 1.00 N ATOM 319 CA LYS A 22 2.108 7.814 -7.370 1.00 1.00 C ATOM 320 C LYS A 22 2.273 6.307 -7.197 1.00 1.00 C ATOM 321 O LYS A 22 1.825 5.529 -8.037 1.00 1.00 O ATOM 322 CB LYS A 22 3.416 8.416 -7.887 1.00 1.00 C ATOM 323 CG LYS A 22 3.229 8.891 -9.331 1.00 1.00 C ATOM 324 CD LYS A 22 2.302 10.109 -9.353 1.00 1.00 C ATOM 325 CE LYS A 22 1.180 9.880 -10.368 1.00 1.00 C ATOM 326 NZ LYS A 22 0.305 11.085 -10.422 1.00 1.00 N ATOM 0 H LYS A 22 2.328 9.229 -5.835 1.00 1.00 H new ATOM 0 HA LYS A 22 1.311 7.996 -8.091 1.00 1.00 H new ATOM 0 HB2 LYS A 22 3.718 9.251 -7.255 1.00 1.00 H new ATOM 0 HB3 LYS A 22 4.213 7.675 -7.838 1.00 1.00 H new ATOM 0 HG2 LYS A 22 4.194 9.147 -9.768 1.00 1.00 H new ATOM 0 HG3 LYS A 22 2.807 8.089 -9.937 1.00 1.00 H new ATOM 0 HD2 LYS A 22 1.881 10.277 -8.362 1.00 1.00 H new ATOM 0 HD3 LYS A 22 2.866 11.004 -9.615 1.00 1.00 H new ATOM 0 HE2 LYS A 22 1.602 9.679 -11.353 1.00 1.00 H new ATOM 0 HE3 LYS A 22 0.594 9.005 -10.087 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -0.101 11.177 -11.375 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -0.462 10.988 -9.727 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 0.867 11.932 -10.202 1.00 1.00 H new ATOM 340 N GLU A 23 2.909 5.900 -6.105 1.00 1.00 N ATOM 341 CA GLU A 23 3.114 4.482 -5.845 1.00 1.00 C ATOM 342 C GLU A 23 1.783 3.825 -5.520 1.00 1.00 C ATOM 343 O GLU A 23 1.415 2.812 -6.110 1.00 1.00 O ATOM 344 CB GLU A 23 4.081 4.294 -4.673 1.00 1.00 C ATOM 345 CG GLU A 23 5.495 4.677 -5.113 1.00 1.00 C ATOM 346 CD GLU A 23 6.255 3.436 -5.564 1.00 1.00 C ATOM 347 OE1 GLU A 23 6.148 3.089 -6.727 1.00 1.00 O ATOM 348 OE2 GLU A 23 6.935 2.848 -4.737 1.00 1.00 O ATOM 0 H GLU A 23 3.288 6.524 -5.393 1.00 1.00 H new ATOM 0 HA GLU A 23 3.541 4.017 -6.734 1.00 1.00 H new ATOM 0 HB2 GLU A 23 3.771 4.911 -3.829 1.00 1.00 H new ATOM 0 HB3 GLU A 23 4.062 3.258 -4.334 1.00 1.00 H new ATOM 0 HG2 GLU A 23 5.448 5.400 -5.927 1.00 1.00 H new ATOM 0 HG3 GLU A 23 6.023 5.158 -4.290 1.00 1.00 H new ATOM 355 N ALA A 24 1.066 4.421 -4.579 1.00 1.00 N ATOM 356 CA ALA A 24 -0.230 3.909 -4.169 1.00 1.00 C ATOM 357 C ALA A 24 -1.026 3.423 -5.375 1.00 1.00 C ATOM 358 O ALA A 24 -1.612 2.342 -5.349 1.00 1.00 O ATOM 359 CB ALA A 24 -1.006 5.010 -3.448 1.00 1.00 C ATOM 0 H ALA A 24 1.362 5.262 -4.084 1.00 1.00 H new ATOM 0 HA ALA A 24 -0.076 3.065 -3.496 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -1.979 4.627 -3.140 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -0.448 5.333 -2.569 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -1.146 5.857 -4.120 1.00 1.00 H new ATOM 365 N CYS A 25 -1.044 4.231 -6.427 1.00 1.00 N ATOM 366 CA CYS A 25 -1.775 3.873 -7.639 1.00 1.00 C ATOM 367 C CYS A 25 -0.983 2.867 -8.472 1.00 1.00 C ATOM 368 O CYS A 25 -1.558 1.963 -9.078 1.00 1.00 O ATOM 369 CB CYS A 25 -2.047 5.125 -8.472 1.00 1.00 C ATOM 370 SG CYS A 25 -1.111 5.036 -10.019 1.00 1.00 S ATOM 0 H CYS A 25 -0.566 5.131 -6.468 1.00 1.00 H new ATOM 0 HA CYS A 25 -2.721 3.417 -7.346 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -3.113 5.209 -8.684 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -1.762 6.016 -7.913 1.00 1.00 H new ATOM 0 HG CYS A 25 -1.344 6.100 -10.729 1.00 1.00 H new ATOM 376 N ASP A 26 0.336 3.032 -8.500 1.00 1.00 N ATOM 377 CA ASP A 26 1.192 2.131 -9.266 1.00 1.00 C ATOM 378 C ASP A 26 1.321 0.784 -8.563 1.00 1.00 C ATOM 379 O ASP A 26 1.744 -0.203 -9.165 1.00 1.00 O ATOM 380 CB ASP A 26 2.580 2.750 -9.439 1.00 1.00 C ATOM 381 CG ASP A 26 3.238 2.222 -10.709 1.00 1.00 C ATOM 382 OD1 ASP A 26 3.001 1.073 -11.043 1.00 1.00 O ATOM 383 OD2 ASP A 26 3.973 2.976 -11.326 1.00 1.00 O ATOM 0 H ASP A 26 0.832 3.774 -8.006 1.00 1.00 H new ATOM 0 HA ASP A 26 0.737 1.976 -10.244 1.00 1.00 H new ATOM 0 HB2 ASP A 26 2.498 3.836 -9.488 1.00 1.00 H new ATOM 0 HB3 ASP A 26 3.201 2.515 -8.574 1.00 1.00 H new ATOM 388 N TRP A 27 0.952 0.750 -7.288 1.00 1.00 N ATOM 389 CA TRP A 27 1.030 -0.482 -6.512 1.00 1.00 C ATOM 390 C TRP A 27 -0.303 -1.224 -6.550 1.00 1.00 C ATOM 391 O TRP A 27 -0.346 -2.432 -6.782 1.00 1.00 O ATOM 392 CB TRP A 27 1.401 -0.164 -5.063 1.00 1.00 C ATOM 393 CG TRP A 27 1.447 -1.429 -4.269 1.00 1.00 C ATOM 394 CD1 TRP A 27 2.543 -2.205 -4.104 1.00 1.00 C ATOM 395 CD2 TRP A 27 0.370 -2.079 -3.534 1.00 1.00 C ATOM 396 NE1 TRP A 27 2.208 -3.290 -3.313 1.00 1.00 N ATOM 397 CE2 TRP A 27 0.880 -3.257 -2.936 1.00 1.00 C ATOM 398 CE3 TRP A 27 -0.985 -1.765 -3.329 1.00 1.00 C ATOM 399 CZ2 TRP A 27 0.073 -4.093 -2.163 1.00 1.00 C ATOM 400 CZ3 TRP A 27 -1.799 -2.604 -2.550 1.00 1.00 C ATOM 401 CH2 TRP A 27 -1.271 -3.765 -1.970 1.00 1.00 C ATOM 0 H TRP A 27 0.598 1.556 -6.772 1.00 1.00 H new ATOM 0 HA TRP A 27 1.799 -1.118 -6.951 1.00 1.00 H new ATOM 0 HB2 TRP A 27 2.369 0.336 -5.026 1.00 1.00 H new ATOM 0 HB3 TRP A 27 0.671 0.522 -4.632 1.00 1.00 H new ATOM 0 HD1 TRP A 27 3.520 -2.010 -4.521 1.00 1.00 H new ATOM 0 HE1 TRP A 27 2.862 -4.024 -3.042 1.00 1.00 H new ATOM 0 HE3 TRP A 27 -1.403 -0.873 -3.773 1.00 1.00 H new ATOM 0 HZ2 TRP A 27 0.484 -4.987 -1.717 1.00 1.00 H new ATOM 0 HZ3 TRP A 27 -2.838 -2.353 -2.397 1.00 1.00 H new ATOM 0 HH2 TRP A 27 -1.903 -4.406 -1.374 1.00 1.00 H new ATOM 412 N LEU A 28 -1.389 -0.491 -6.321 1.00 1.00 N ATOM 413 CA LEU A 28 -2.719 -1.091 -6.333 1.00 1.00 C ATOM 414 C LEU A 28 -2.876 -2.021 -7.532 1.00 1.00 C ATOM 415 O LEU A 28 -3.573 -3.033 -7.459 1.00 1.00 O ATOM 416 CB LEU A 28 -3.784 0.006 -6.392 1.00 1.00 C ATOM 417 CG LEU A 28 -4.159 0.434 -4.972 1.00 1.00 C ATOM 418 CD1 LEU A 28 -4.709 1.860 -5.000 1.00 1.00 C ATOM 419 CD2 LEU A 28 -5.229 -0.511 -4.419 1.00 1.00 C ATOM 0 H LEU A 28 -1.375 0.510 -6.127 1.00 1.00 H new ATOM 0 HA LEU A 28 -2.845 -1.672 -5.419 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -3.409 0.862 -6.953 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -4.667 -0.358 -6.918 1.00 1.00 H new ATOM 0 HG LEU A 28 -3.275 0.395 -4.336 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -4.977 2.167 -3.989 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -3.950 2.535 -5.395 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -5.593 1.896 -5.636 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -5.496 -0.206 -3.407 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -6.113 -0.472 -5.055 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -4.841 -1.529 -4.400 1.00 1.00 H new ATOM 431 N ARG A 29 -2.217 -1.673 -8.633 1.00 1.00 N ATOM 432 CA ARG A 29 -2.284 -2.487 -9.841 1.00 1.00 C ATOM 433 C ARG A 29 -1.353 -3.689 -9.725 1.00 1.00 C ATOM 434 O ARG A 29 -1.595 -4.735 -10.327 1.00 1.00 O ATOM 435 CB ARG A 29 -1.895 -1.653 -11.064 1.00 1.00 C ATOM 436 CG ARG A 29 -0.506 -1.047 -10.854 1.00 1.00 C ATOM 437 CD ARG A 29 -0.182 -0.103 -12.011 1.00 1.00 C ATOM 438 NE ARG A 29 -0.871 1.170 -11.834 1.00 1.00 N ATOM 439 CZ ARG A 29 -0.664 2.186 -12.665 1.00 1.00 C ATOM 440 NH1 ARG A 29 0.169 2.055 -13.660 1.00 1.00 N ATOM 441 NH2 ARG A 29 -1.294 3.315 -12.485 1.00 1.00 N ATOM 0 H ARG A 29 -1.635 -0.839 -8.714 1.00 1.00 H new ATOM 0 HA ARG A 29 -3.308 -2.841 -9.960 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -1.899 -2.277 -11.958 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -2.627 -0.862 -11.224 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -0.473 -0.506 -9.909 1.00 1.00 H new ATOM 0 HG3 ARG A 29 0.242 -1.837 -10.795 1.00 1.00 H new ATOM 0 HD2 ARG A 29 0.894 0.062 -12.064 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -0.481 -0.558 -12.955 1.00 1.00 H new ATOM 0 HE ARG A 29 -1.524 1.283 -11.058 1.00 1.00 H new ATOM 0 HH11 ARG A 29 0.661 1.173 -13.800 1.00 1.00 H new ATOM 0 HH12 ARG A 29 0.328 2.835 -14.298 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -1.945 3.417 -11.707 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -1.135 4.095 -13.123 1.00 1.00 H new ATOM 455 N ALA A 30 -0.290 -3.533 -8.943 1.00 1.00 N ATOM 456 CA ALA A 30 0.670 -4.612 -8.751 1.00 1.00 C ATOM 457 C ALA A 30 0.128 -5.631 -7.754 1.00 1.00 C ATOM 458 O ALA A 30 0.546 -6.789 -7.745 1.00 1.00 O ATOM 459 CB ALA A 30 1.996 -4.047 -8.238 1.00 1.00 C ATOM 0 H ALA A 30 -0.073 -2.675 -8.435 1.00 1.00 H new ATOM 0 HA ALA A 30 0.835 -5.106 -9.709 1.00 1.00 H new ATOM 0 HB1 ALA A 30 2.708 -4.860 -8.097 1.00 1.00 H new ATOM 0 HB2 ALA A 30 2.394 -3.338 -8.964 1.00 1.00 H new ATOM 0 HB3 ALA A 30 1.832 -3.540 -7.287 1.00 1.00 H new ATOM 465 N ALA A 31 -0.806 -5.191 -6.916 1.00 1.00 N ATOM 466 CA ALA A 31 -1.401 -6.072 -5.918 1.00 1.00 C ATOM 467 C ALA A 31 -2.504 -6.919 -6.546 1.00 1.00 C ATOM 468 O ALA A 31 -2.950 -7.905 -5.958 1.00 1.00 O ATOM 469 CB ALA A 31 -1.980 -5.244 -4.769 1.00 1.00 C ATOM 0 H ALA A 31 -1.165 -4.236 -6.908 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.625 -6.733 -5.532 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -2.423 -5.910 -4.028 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -1.185 -4.661 -4.304 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -2.745 -4.571 -5.155 1.00 1.00 H new ATOM 475 N GLY A 32 -2.936 -6.528 -7.741 1.00 1.00 N ATOM 476 CA GLY A 32 -3.987 -7.256 -8.445 1.00 1.00 C ATOM 477 C GLY A 32 -5.282 -6.454 -8.474 1.00 1.00 C ATOM 478 O GLY A 32 -6.338 -6.978 -8.831 1.00 1.00 O ATOM 0 H GLY A 32 -2.577 -5.715 -8.241 1.00 1.00 H new ATOM 0 HA2 GLY A 32 -3.665 -7.471 -9.464 1.00 1.00 H new ATOM 0 HA3 GLY A 32 -4.160 -8.215 -7.956 1.00 1.00 H new ATOM 482 N PHE A 33 -5.195 -5.181 -8.095 1.00 1.00 N ATOM 483 CA PHE A 33 -6.365 -4.311 -8.079 1.00 1.00 C ATOM 484 C PHE A 33 -6.062 -2.992 -8.786 1.00 1.00 C ATOM 485 O PHE A 33 -5.862 -1.962 -8.141 1.00 1.00 O ATOM 486 CB PHE A 33 -6.789 -4.036 -6.634 1.00 1.00 C ATOM 487 CG PHE A 33 -6.646 -5.302 -5.820 1.00 1.00 C ATOM 488 CD1 PHE A 33 -7.288 -6.475 -6.233 1.00 1.00 C ATOM 489 CD2 PHE A 33 -5.871 -5.303 -4.653 1.00 1.00 C ATOM 490 CE1 PHE A 33 -7.156 -7.648 -5.483 1.00 1.00 C ATOM 491 CE2 PHE A 33 -5.740 -6.476 -3.901 1.00 1.00 C ATOM 492 CZ PHE A 33 -6.381 -7.649 -4.315 1.00 1.00 C ATOM 0 H PHE A 33 -4.329 -4.732 -7.796 1.00 1.00 H new ATOM 0 HA PHE A 33 -7.177 -4.812 -8.606 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -6.173 -3.244 -6.207 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -7.821 -3.687 -6.606 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -7.886 -6.474 -7.132 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -5.375 -4.399 -4.334 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -7.651 -8.553 -5.804 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -5.144 -6.476 -3.001 1.00 1.00 H new ATOM 0 HZ PHE A 33 -6.279 -8.554 -3.735 1.00 1.00 H new ATOM 502 N PRO A 34 -6.022 -3.006 -10.093 1.00 1.00 N ATOM 503 CA PRO A 34 -5.731 -1.791 -10.901 1.00 1.00 C ATOM 504 C PRO A 34 -6.961 -0.906 -11.080 1.00 1.00 C ATOM 505 O PRO A 34 -6.865 0.207 -11.596 1.00 1.00 O ATOM 506 CB PRO A 34 -5.265 -2.360 -12.238 1.00 1.00 C ATOM 507 CG PRO A 34 -5.926 -3.696 -12.363 1.00 1.00 C ATOM 508 CD PRO A 34 -6.247 -4.183 -10.945 1.00 1.00 C ATOM 0 HA PRO A 34 -4.994 -1.146 -10.424 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -5.548 -1.705 -13.062 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -4.180 -2.456 -12.265 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -6.836 -3.620 -12.958 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -5.271 -4.402 -12.872 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -7.275 -4.537 -10.870 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -5.602 -5.013 -10.655 1.00 1.00 H new ATOM 516 N GLN A 35 -8.115 -1.406 -10.653 1.00 1.00 N ATOM 517 CA GLN A 35 -9.355 -0.651 -10.774 1.00 1.00 C ATOM 518 C GLN A 35 -9.300 0.610 -9.919 1.00 1.00 C ATOM 519 O GLN A 35 -9.862 1.644 -10.283 1.00 1.00 O ATOM 520 CB GLN A 35 -10.531 -1.523 -10.329 1.00 1.00 C ATOM 521 CG GLN A 35 -11.752 -0.643 -10.052 1.00 1.00 C ATOM 522 CD GLN A 35 -11.736 -0.154 -8.606 1.00 1.00 C ATOM 523 OE1 GLN A 35 -10.759 -0.365 -7.887 1.00 1.00 O ATOM 524 NE2 GLN A 35 -12.769 0.490 -8.136 1.00 1.00 N ATOM 0 H GLN A 35 -8.217 -2.325 -10.223 1.00 1.00 H new ATOM 0 HA GLN A 35 -9.487 -0.360 -11.816 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -10.766 -2.255 -11.102 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -10.263 -2.082 -9.432 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -11.756 0.209 -10.731 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -12.665 -1.206 -10.242 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -13.577 0.663 -8.734 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -12.768 0.820 -7.171 1.00 1.00 H new ATOM 533 N TYR A 36 -8.624 0.521 -8.781 1.00 1.00 N ATOM 534 CA TYR A 36 -8.510 1.666 -7.886 1.00 1.00 C ATOM 535 C TYR A 36 -7.750 2.801 -8.562 1.00 1.00 C ATOM 536 O TYR A 36 -8.325 3.845 -8.859 1.00 1.00 O ATOM 537 CB TYR A 36 -7.781 1.259 -6.605 1.00 1.00 C ATOM 538 CG TYR A 36 -8.692 0.398 -5.766 1.00 1.00 C ATOM 539 CD1 TYR A 36 -9.779 0.974 -5.095 1.00 1.00 C ATOM 540 CD2 TYR A 36 -8.451 -0.977 -5.659 1.00 1.00 C ATOM 541 CE1 TYR A 36 -10.625 0.173 -4.318 1.00 1.00 C ATOM 542 CE2 TYR A 36 -9.297 -1.776 -4.880 1.00 1.00 C ATOM 543 CZ TYR A 36 -10.382 -1.202 -4.209 1.00 1.00 C ATOM 544 OH TYR A 36 -11.214 -1.991 -3.443 1.00 1.00 O ATOM 0 H TYR A 36 -8.151 -0.323 -8.458 1.00 1.00 H new ATOM 0 HA TYR A 36 -9.515 2.010 -7.640 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -6.869 0.714 -6.849 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -7.482 2.145 -6.045 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -9.964 2.035 -5.177 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -7.614 -1.421 -6.177 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -11.465 0.616 -3.803 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -9.112 -2.837 -4.797 1.00 1.00 H new ATOM 0 HH TYR A 36 -10.905 -2.920 -3.476 1.00 1.00 H new ATOM 554 N ALA A 37 -6.460 2.581 -8.798 1.00 1.00 N ATOM 555 CA ALA A 37 -5.614 3.587 -9.440 1.00 1.00 C ATOM 556 C ALA A 37 -6.389 4.355 -10.504 1.00 1.00 C ATOM 557 O ALA A 37 -6.208 5.561 -10.671 1.00 1.00 O ATOM 558 CB ALA A 37 -4.400 2.912 -10.081 1.00 1.00 C ATOM 0 H ALA A 37 -5.976 1.716 -8.555 1.00 1.00 H new ATOM 0 HA ALA A 37 -5.284 4.291 -8.676 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -3.774 3.666 -10.558 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -3.824 2.394 -9.314 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -4.736 2.194 -10.829 1.00 1.00 H new ATOM 564 N GLN A 38 -7.252 3.645 -11.219 1.00 1.00 N ATOM 565 CA GLN A 38 -8.054 4.262 -12.265 1.00 1.00 C ATOM 566 C GLN A 38 -8.825 5.464 -11.724 1.00 1.00 C ATOM 567 O GLN A 38 -8.899 6.508 -12.372 1.00 1.00 O ATOM 568 CB GLN A 38 -9.033 3.231 -12.826 1.00 1.00 C ATOM 569 CG GLN A 38 -8.784 3.045 -14.322 1.00 1.00 C ATOM 570 CD GLN A 38 -9.084 4.342 -15.064 1.00 1.00 C ATOM 571 OE1 GLN A 38 -8.099 5.052 -15.544 1.00 1.00 O flip ATOM 572 NE2 GLN A 38 -10.246 4.722 -15.207 1.00 1.00 N flip ATOM 0 H GLN A 38 -7.414 2.646 -11.094 1.00 1.00 H new ATOM 0 HA GLN A 38 -7.389 4.610 -13.055 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -8.912 2.280 -12.307 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -10.059 3.559 -12.656 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -7.749 2.749 -14.493 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -9.413 2.242 -14.707 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -11.014 4.166 -14.831 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -10.441 5.593 -15.701 1.00 1.00 H new ATOM 581 N LEU A 39 -9.401 5.310 -10.535 1.00 1.00 N ATOM 582 CA LEU A 39 -10.166 6.392 -9.922 1.00 1.00 C ATOM 583 C LEU A 39 -9.322 7.660 -9.816 1.00 1.00 C ATOM 584 O LEU A 39 -9.845 8.773 -9.892 1.00 1.00 O ATOM 585 CB LEU A 39 -10.647 5.971 -8.528 1.00 1.00 C ATOM 586 CG LEU A 39 -11.912 5.114 -8.655 1.00 1.00 C ATOM 587 CD1 LEU A 39 -11.999 4.150 -7.470 1.00 1.00 C ATOM 588 CD2 LEU A 39 -13.152 6.013 -8.660 1.00 1.00 C ATOM 0 H LEU A 39 -9.354 4.455 -9.981 1.00 1.00 H new ATOM 0 HA LEU A 39 -11.029 6.601 -10.554 1.00 1.00 H new ATOM 0 HB2 LEU A 39 -9.865 5.409 -8.017 1.00 1.00 H new ATOM 0 HB3 LEU A 39 -10.853 6.853 -7.922 1.00 1.00 H new ATOM 0 HG LEU A 39 -11.867 4.551 -9.587 1.00 1.00 H new ATOM 0 HD11 LEU A 39 -12.899 3.541 -7.561 1.00 1.00 H new ATOM 0 HD12 LEU A 39 -11.122 3.503 -7.462 1.00 1.00 H new ATOM 0 HD13 LEU A 39 -12.038 4.718 -6.541 1.00 1.00 H new ATOM 0 HD21 LEU A 39 -14.047 5.398 -8.751 1.00 1.00 H new ATOM 0 HD22 LEU A 39 -13.194 6.580 -7.730 1.00 1.00 H new ATOM 0 HD23 LEU A 39 -13.099 6.702 -9.503 1.00 1.00 H new ATOM 600 N TYR A 40 -8.015 7.486 -9.636 1.00 1.00 N ATOM 601 CA TYR A 40 -7.110 8.629 -9.521 1.00 1.00 C ATOM 602 C TYR A 40 -7.256 9.546 -10.728 1.00 1.00 C ATOM 603 O TYR A 40 -7.505 10.743 -10.582 1.00 1.00 O ATOM 604 CB TYR A 40 -5.662 8.147 -9.414 1.00 1.00 C ATOM 605 CG TYR A 40 -4.780 9.302 -9.004 1.00 1.00 C ATOM 606 CD1 TYR A 40 -4.920 9.869 -7.730 1.00 1.00 C ATOM 607 CD2 TYR A 40 -3.823 9.805 -9.892 1.00 1.00 C ATOM 608 CE1 TYR A 40 -4.103 10.940 -7.348 1.00 1.00 C ATOM 609 CE2 TYR A 40 -3.006 10.877 -9.508 1.00 1.00 C ATOM 610 CZ TYR A 40 -3.146 11.444 -8.237 1.00 1.00 C ATOM 611 OH TYR A 40 -2.342 12.499 -7.859 1.00 1.00 O ATOM 0 H TYR A 40 -7.561 6.575 -9.567 1.00 1.00 H new ATOM 0 HA TYR A 40 -7.371 9.185 -8.620 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -5.588 7.341 -8.684 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -5.330 7.742 -10.370 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -5.657 9.480 -7.043 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -3.714 9.367 -10.873 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -4.211 11.378 -6.367 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -2.268 11.266 -10.194 1.00 1.00 H new ATOM 0 HH TYR A 40 -2.361 12.591 -6.884 1.00 1.00 H new ATOM 621 N GLU A 41 -7.099 8.981 -11.919 1.00 1.00 N ATOM 622 CA GLU A 41 -7.216 9.764 -13.143 1.00 1.00 C ATOM 623 C GLU A 41 -8.397 10.726 -13.048 1.00 1.00 C ATOM 624 O GLU A 41 -8.359 11.827 -13.596 1.00 1.00 O ATOM 625 CB GLU A 41 -7.405 8.834 -14.342 1.00 1.00 C ATOM 626 CG GLU A 41 -6.354 7.722 -14.294 1.00 1.00 C ATOM 627 CD GLU A 41 -5.878 7.394 -15.705 1.00 1.00 C ATOM 628 OE1 GLU A 41 -5.309 8.269 -16.336 1.00 1.00 O ATOM 629 OE2 GLU A 41 -6.089 6.271 -16.134 1.00 1.00 O ATOM 0 H GLU A 41 -6.892 7.993 -12.063 1.00 1.00 H new ATOM 0 HA GLU A 41 -6.301 10.341 -13.275 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -8.406 8.404 -14.328 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -7.313 9.397 -15.271 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -5.510 8.035 -13.680 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -6.775 6.832 -13.827 1.00 1.00 H new ATOM 636 N ASP A 42 -9.445 10.302 -12.345 1.00 1.00 N ATOM 637 CA ASP A 42 -10.631 11.135 -12.183 1.00 1.00 C ATOM 638 C ASP A 42 -10.560 11.918 -10.876 1.00 1.00 C ATOM 639 O ASP A 42 -11.246 12.925 -10.705 1.00 1.00 O ATOM 640 CB ASP A 42 -11.888 10.263 -12.187 1.00 1.00 C ATOM 641 CG ASP A 42 -12.860 10.751 -13.254 1.00 1.00 C ATOM 642 OD1 ASP A 42 -13.531 11.741 -13.007 1.00 1.00 O ATOM 643 OD2 ASP A 42 -12.921 10.130 -14.302 1.00 1.00 O ATOM 0 H ASP A 42 -9.496 9.394 -11.883 1.00 1.00 H new ATOM 0 HA ASP A 42 -10.674 11.838 -13.015 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -11.619 9.224 -12.377 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -12.365 10.295 -11.207 1.00 1.00 H new ATOM 648 N SER A 43 -9.726 11.444 -9.955 1.00 1.00 N ATOM 649 CA SER A 43 -9.571 12.105 -8.665 1.00 1.00 C ATOM 650 C SER A 43 -10.741 11.762 -7.748 1.00 1.00 C ATOM 651 O SER A 43 -11.037 12.495 -6.803 1.00 1.00 O ATOM 652 CB SER A 43 -9.500 13.619 -8.859 1.00 1.00 C ATOM 653 OG SER A 43 -8.641 14.178 -7.872 1.00 1.00 O ATOM 0 H SER A 43 -9.151 10.610 -10.077 1.00 1.00 H new ATOM 0 HA SER A 43 -8.646 11.755 -8.206 1.00 1.00 H new ATOM 0 HB2 SER A 43 -9.128 13.853 -9.856 1.00 1.00 H new ATOM 0 HB3 SER A 43 -10.496 14.055 -8.780 1.00 1.00 H new ATOM 0 HG SER A 43 -8.591 15.149 -7.994 1.00 1.00 H new ATOM 659 N GLN A 44 -11.401 10.645 -8.032 1.00 1.00 N ATOM 660 CA GLN A 44 -12.538 10.215 -7.224 1.00 1.00 C ATOM 661 C GLN A 44 -12.119 9.115 -6.255 1.00 1.00 C ATOM 662 O GLN A 44 -12.922 8.254 -5.894 1.00 1.00 O ATOM 663 CB GLN A 44 -13.658 9.698 -8.131 1.00 1.00 C ATOM 664 CG GLN A 44 -14.111 10.811 -9.081 1.00 1.00 C ATOM 665 CD GLN A 44 -15.287 11.569 -8.473 1.00 1.00 C ATOM 666 OE1 GLN A 44 -15.375 11.686 -7.177 1.00 1.00 O flip ATOM 667 NE2 GLN A 44 -16.146 12.069 -9.199 1.00 1.00 N flip ATOM 0 H GLN A 44 -11.172 10.025 -8.809 1.00 1.00 H new ATOM 0 HA GLN A 44 -12.899 11.071 -6.653 1.00 1.00 H new ATOM 0 HB2 GLN A 44 -13.308 8.839 -8.703 1.00 1.00 H new ATOM 0 HB3 GLN A 44 -14.499 9.357 -7.527 1.00 1.00 H new ATOM 0 HG2 GLN A 44 -13.285 11.496 -9.271 1.00 1.00 H new ATOM 0 HG3 GLN A 44 -14.400 10.385 -10.042 1.00 1.00 H new ATOM 0 HE21 GLN A 44 -16.075 11.976 -10.212 1.00 1.00 H new ATOM 0 HE22 GLN A 44 -16.929 12.576 -8.787 1.00 1.00 H new ATOM 676 N PHE A 45 -10.857 9.147 -5.839 1.00 1.00 N ATOM 677 CA PHE A 45 -10.343 8.146 -4.913 1.00 1.00 C ATOM 678 C PHE A 45 -11.082 8.199 -3.589 1.00 1.00 C ATOM 679 O PHE A 45 -11.426 7.159 -3.026 1.00 1.00 O ATOM 680 CB PHE A 45 -8.847 8.360 -4.674 1.00 1.00 C ATOM 681 CG PHE A 45 -8.080 7.166 -5.188 1.00 1.00 C ATOM 682 CD1 PHE A 45 -7.958 6.961 -6.568 1.00 1.00 C ATOM 683 CD2 PHE A 45 -7.487 6.271 -4.291 1.00 1.00 C ATOM 684 CE1 PHE A 45 -7.243 5.858 -7.050 1.00 1.00 C ATOM 685 CE2 PHE A 45 -6.771 5.168 -4.774 1.00 1.00 C ATOM 686 CZ PHE A 45 -6.649 4.962 -6.153 1.00 1.00 C ATOM 0 H PHE A 45 -10.176 9.850 -6.126 1.00 1.00 H new ATOM 0 HA PHE A 45 -10.500 7.165 -5.361 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -8.513 9.266 -5.180 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -8.654 8.499 -3.610 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -8.415 7.653 -7.260 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -7.581 6.430 -3.227 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -7.150 5.698 -8.114 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -6.313 4.477 -4.082 1.00 1.00 H new ATOM 0 HZ PHE A 45 -6.097 4.112 -6.525 1.00 1.00 H new ATOM 696 N PRO A 46 -11.337 9.367 -3.073 1.00 1.00 N ATOM 697 CA PRO A 46 -12.056 9.493 -1.783 1.00 1.00 C ATOM 698 C PRO A 46 -13.452 8.895 -1.880 1.00 1.00 C ATOM 699 O PRO A 46 -14.307 9.397 -2.608 1.00 1.00 O ATOM 700 CB PRO A 46 -12.119 11.006 -1.532 1.00 1.00 C ATOM 701 CG PRO A 46 -11.131 11.627 -2.466 1.00 1.00 C ATOM 702 CD PRO A 46 -10.978 10.669 -3.644 1.00 1.00 C ATOM 0 HA PRO A 46 -11.559 8.959 -0.973 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -13.123 11.389 -1.716 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -11.874 11.239 -0.496 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -11.479 12.603 -2.804 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -10.174 11.784 -1.968 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -11.635 10.940 -4.470 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -9.960 10.670 -4.033 1.00 1.00 H new ATOM 710 N ILE A 47 -13.663 7.827 -1.127 1.00 1.00 N ATOM 711 CA ILE A 47 -14.946 7.128 -1.098 1.00 1.00 C ATOM 712 C ILE A 47 -14.972 6.181 0.096 1.00 1.00 C ATOM 713 O ILE A 47 -14.001 6.096 0.843 1.00 1.00 O ATOM 714 CB ILE A 47 -15.153 6.306 -2.381 1.00 1.00 C ATOM 715 CG1 ILE A 47 -13.871 5.531 -2.695 1.00 1.00 C ATOM 716 CG2 ILE A 47 -15.495 7.212 -3.572 1.00 1.00 C ATOM 717 CD1 ILE A 47 -14.218 4.072 -2.994 1.00 1.00 C ATOM 0 H ILE A 47 -12.954 7.418 -0.519 1.00 1.00 H new ATOM 0 HA ILE A 47 -15.741 7.870 -1.020 1.00 1.00 H new ATOM 0 HB ILE A 47 -15.984 5.620 -2.218 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -13.363 5.978 -3.550 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -13.184 5.587 -1.851 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -15.636 6.602 -4.464 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -16.412 7.761 -3.360 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -14.680 7.917 -3.739 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -13.305 3.519 -3.218 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -14.707 3.629 -2.126 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -14.889 4.026 -3.851 1.00 1.00 H new ATOM 729 N ASN A 48 -16.078 5.463 0.265 1.00 1.00 N ATOM 730 CA ASN A 48 -16.189 4.515 1.368 1.00 1.00 C ATOM 731 C ASN A 48 -15.021 3.533 1.323 1.00 1.00 C ATOM 732 O ASN A 48 -15.138 2.439 0.770 1.00 1.00 O ATOM 733 CB ASN A 48 -17.509 3.750 1.266 1.00 1.00 C ATOM 734 CG ASN A 48 -17.567 2.992 -0.056 1.00 1.00 C ATOM 735 OD1 ASN A 48 -16.649 3.209 -0.959 1.00 1.00 O flip ATOM 736 ND2 ASN A 48 -18.467 2.181 -0.272 1.00 1.00 N flip ATOM 0 H ASN A 48 -16.899 5.518 -0.338 1.00 1.00 H new ATOM 0 HA ASN A 48 -16.165 5.061 2.311 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -17.601 3.053 2.099 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -18.348 4.443 1.335 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -19.183 2.013 0.435 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -18.497 1.676 -1.158 1.00 1.00 H new ATOM 743 N ILE A 49 -13.889 3.941 1.888 1.00 1.00 N ATOM 744 CA ILE A 49 -12.697 3.102 1.887 1.00 1.00 C ATOM 745 C ILE A 49 -12.934 1.794 2.630 1.00 1.00 C ATOM 746 O ILE A 49 -12.999 0.734 2.019 1.00 1.00 O ATOM 747 CB ILE A 49 -11.530 3.844 2.540 1.00 1.00 C ATOM 748 CG1 ILE A 49 -10.959 4.866 1.556 1.00 1.00 C ATOM 749 CG2 ILE A 49 -10.439 2.839 2.920 1.00 1.00 C ATOM 750 CD1 ILE A 49 -10.003 5.804 2.295 1.00 1.00 C ATOM 0 H ILE A 49 -13.773 4.843 2.350 1.00 1.00 H new ATOM 0 HA ILE A 49 -12.458 2.873 0.848 1.00 1.00 H new ATOM 0 HB ILE A 49 -11.881 4.359 3.434 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -10.434 4.356 0.749 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -11.767 5.438 1.099 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -9.606 3.365 3.386 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -10.845 2.109 3.621 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -10.089 2.326 2.024 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -9.595 6.533 1.595 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -10.543 6.324 3.087 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -9.189 5.225 2.731 1.00 1.00 H new ATOM 762 N VAL A 50 -13.040 1.886 3.953 1.00 1.00 N ATOM 763 CA VAL A 50 -13.240 0.706 4.796 1.00 1.00 C ATOM 764 C VAL A 50 -14.033 -0.382 4.076 1.00 1.00 C ATOM 765 O VAL A 50 -13.797 -1.572 4.284 1.00 1.00 O ATOM 766 CB VAL A 50 -13.975 1.107 6.075 1.00 1.00 C ATOM 767 CG1 VAL A 50 -13.890 -0.031 7.094 1.00 1.00 C ATOM 768 CG2 VAL A 50 -13.327 2.363 6.660 1.00 1.00 C ATOM 0 H VAL A 50 -12.991 2.766 4.467 1.00 1.00 H new ATOM 0 HA VAL A 50 -12.257 0.301 5.036 1.00 1.00 H new ATOM 0 HB VAL A 50 -15.021 1.309 5.844 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -14.414 0.257 8.005 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -14.350 -0.927 6.678 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -12.845 -0.234 7.326 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -13.850 2.651 7.572 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -12.281 2.159 6.890 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -13.388 3.175 5.935 1.00 1.00 H new ATOM 778 N ALA A 51 -14.983 0.027 3.245 1.00 1.00 N ATOM 779 CA ALA A 51 -15.815 -0.929 2.521 1.00 1.00 C ATOM 780 C ALA A 51 -15.045 -1.648 1.409 1.00 1.00 C ATOM 781 O ALA A 51 -14.883 -2.864 1.455 1.00 1.00 O ATOM 782 CB ALA A 51 -17.018 -0.206 1.914 1.00 1.00 C ATOM 0 H ALA A 51 -15.197 1.006 3.056 1.00 1.00 H new ATOM 0 HA ALA A 51 -16.142 -1.682 3.238 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -17.638 -0.922 1.374 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -17.604 0.255 2.709 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -16.670 0.565 1.226 1.00 1.00 H new ATOM 788 N VAL A 52 -14.618 -0.894 0.396 1.00 1.00 N ATOM 789 CA VAL A 52 -13.915 -1.486 -0.749 1.00 1.00 C ATOM 790 C VAL A 52 -13.008 -2.624 -0.293 1.00 1.00 C ATOM 791 O VAL A 52 -13.003 -3.704 -0.883 1.00 1.00 O ATOM 792 CB VAL A 52 -13.118 -0.420 -1.520 1.00 1.00 C ATOM 793 CG1 VAL A 52 -13.890 0.901 -1.508 1.00 1.00 C ATOM 794 CG2 VAL A 52 -11.746 -0.204 -0.882 1.00 1.00 C ATOM 0 H VAL A 52 -14.743 0.117 0.342 1.00 1.00 H new ATOM 0 HA VAL A 52 -14.661 -1.898 -1.429 1.00 1.00 H new ATOM 0 HB VAL A 52 -12.980 -0.765 -2.545 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -13.326 1.657 -2.054 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -14.861 0.759 -1.983 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -14.034 1.229 -0.479 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -11.199 0.554 -1.443 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -11.872 0.128 0.149 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -11.187 -1.140 -0.896 1.00 1.00 H new ATOM 804 N LYS A 53 -12.257 -2.384 0.770 1.00 1.00 N ATOM 805 CA LYS A 53 -11.366 -3.404 1.312 1.00 1.00 C ATOM 806 C LYS A 53 -12.167 -4.635 1.726 1.00 1.00 C ATOM 807 O LYS A 53 -11.788 -5.768 1.432 1.00 1.00 O ATOM 808 CB LYS A 53 -10.634 -2.847 2.531 1.00 1.00 C ATOM 809 CG LYS A 53 -10.478 -1.335 2.380 1.00 1.00 C ATOM 810 CD LYS A 53 -9.407 -0.808 3.333 1.00 1.00 C ATOM 811 CE LYS A 53 -9.639 -1.352 4.745 1.00 1.00 C ATOM 812 NZ LYS A 53 -9.053 -2.717 4.858 1.00 1.00 N ATOM 0 H LYS A 53 -12.244 -1.497 1.274 1.00 1.00 H new ATOM 0 HA LYS A 53 -10.645 -3.687 0.545 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -11.190 -3.078 3.440 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -9.655 -3.317 2.628 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -10.209 -1.092 1.352 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -11.429 -0.843 2.585 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -8.419 -1.103 2.980 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -9.428 0.282 3.348 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -9.184 -0.688 5.480 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -10.707 -1.385 4.962 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -8.495 -2.784 5.733 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -9.817 -3.422 4.880 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -8.437 -2.899 4.040 1.00 1.00 H new ATOM 969 N LEU A 63 -3.399 -8.521 1.817 1.00 1.00 N ATOM 970 CA LEU A 63 -3.522 -7.482 0.802 1.00 1.00 C ATOM 971 C LEU A 63 -4.656 -6.524 1.154 1.00 1.00 C ATOM 972 O LEU A 63 -5.039 -5.677 0.347 1.00 1.00 O ATOM 973 CB LEU A 63 -3.792 -8.117 -0.564 1.00 1.00 C ATOM 974 CG LEU A 63 -2.693 -7.702 -1.547 1.00 1.00 C ATOM 975 CD1 LEU A 63 -1.354 -8.287 -1.094 1.00 1.00 C ATOM 976 CD2 LEU A 63 -3.028 -8.229 -2.944 1.00 1.00 C ATOM 0 HA LEU A 63 -2.587 -6.923 0.763 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -3.822 -9.203 -0.473 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -4.766 -7.802 -0.937 1.00 1.00 H new ATOM 0 HG LEU A 63 -2.626 -6.614 -1.574 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -0.572 -7.991 -1.794 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -1.111 -7.913 -0.100 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -1.423 -9.374 -1.065 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.245 -7.933 -3.642 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -3.097 -9.316 -2.916 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -3.981 -7.814 -3.271 1.00 1.00 H new ATOM 988 N VAL A 64 -5.194 -6.669 2.362 1.00 1.00 N ATOM 989 CA VAL A 64 -6.288 -5.813 2.808 1.00 1.00 C ATOM 990 C VAL A 64 -5.762 -4.557 3.497 1.00 1.00 C ATOM 991 O VAL A 64 -6.099 -3.439 3.106 1.00 1.00 O ATOM 992 CB VAL A 64 -7.189 -6.583 3.773 1.00 1.00 C ATOM 993 CG1 VAL A 64 -8.068 -5.598 4.545 1.00 1.00 C ATOM 994 CG2 VAL A 64 -8.077 -7.545 2.982 1.00 1.00 C ATOM 0 H VAL A 64 -4.893 -7.365 3.044 1.00 1.00 H new ATOM 0 HA VAL A 64 -6.859 -5.511 1.930 1.00 1.00 H new ATOM 0 HB VAL A 64 -6.573 -7.148 4.473 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -8.711 -6.146 5.233 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -7.436 -4.911 5.108 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -8.684 -5.034 3.845 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -8.720 -8.095 3.669 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -8.693 -6.980 2.282 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.452 -8.247 2.430 1.00 1.00 H new ATOM 1004 N GLU A 65 -4.944 -4.744 4.531 1.00 1.00 N ATOM 1005 CA GLU A 65 -4.395 -3.616 5.268 1.00 1.00 C ATOM 1006 C GLU A 65 -3.630 -2.672 4.341 1.00 1.00 C ATOM 1007 O GLU A 65 -3.834 -1.460 4.382 1.00 1.00 O ATOM 1008 CB GLU A 65 -3.474 -4.115 6.382 1.00 1.00 C ATOM 1009 CG GLU A 65 -4.015 -3.661 7.736 1.00 1.00 C ATOM 1010 CD GLU A 65 -5.365 -4.314 8.012 1.00 1.00 C ATOM 1011 OE1 GLU A 65 -5.374 -5.477 8.378 1.00 1.00 O ATOM 1012 OE2 GLU A 65 -6.369 -3.636 7.868 1.00 1.00 O ATOM 0 H GLU A 65 -4.651 -5.659 4.873 1.00 1.00 H new ATOM 0 HA GLU A 65 -5.225 -3.063 5.708 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -3.407 -5.203 6.352 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -2.465 -3.729 6.234 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -3.309 -3.923 8.524 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -4.119 -2.576 7.749 1.00 1.00 H new ATOM 1019 N PRO A 66 -2.763 -3.194 3.507 1.00 1.00 N ATOM 1020 CA PRO A 66 -1.972 -2.355 2.560 1.00 1.00 C ATOM 1021 C PRO A 66 -2.877 -1.516 1.662 1.00 1.00 C ATOM 1022 O PRO A 66 -2.577 -0.360 1.363 1.00 1.00 O ATOM 1023 CB PRO A 66 -1.175 -3.368 1.731 1.00 1.00 C ATOM 1024 CG PRO A 66 -1.163 -4.625 2.533 1.00 1.00 C ATOM 1025 CD PRO A 66 -2.441 -4.623 3.369 1.00 1.00 C ATOM 0 HA PRO A 66 -1.334 -1.643 3.083 1.00 1.00 H new ATOM 0 HB2 PRO A 66 -1.639 -3.529 0.758 1.00 1.00 H new ATOM 0 HB3 PRO A 66 -0.162 -3.012 1.546 1.00 1.00 H new ATOM 0 HG2 PRO A 66 -1.127 -5.499 1.883 1.00 1.00 H new ATOM 0 HG3 PRO A 66 -0.282 -4.668 3.173 1.00 1.00 H new ATOM 0 HD2 PRO A 66 -3.244 -5.169 2.874 1.00 1.00 H new ATOM 0 HD3 PRO A 66 -2.286 -5.094 4.339 1.00 1.00 H new ATOM 1033 N LEU A 67 -3.987 -2.112 1.239 1.00 1.00 N ATOM 1034 CA LEU A 67 -4.938 -1.419 0.378 1.00 1.00 C ATOM 1035 C LEU A 67 -5.422 -0.134 1.043 1.00 1.00 C ATOM 1036 O LEU A 67 -5.499 0.918 0.405 1.00 1.00 O ATOM 1037 CB LEU A 67 -6.135 -2.329 0.090 1.00 1.00 C ATOM 1038 CG LEU A 67 -6.792 -1.926 -1.233 1.00 1.00 C ATOM 1039 CD1 LEU A 67 -6.232 -2.789 -2.364 1.00 1.00 C ATOM 1040 CD2 LEU A 67 -8.304 -2.139 -1.134 1.00 1.00 C ATOM 0 H LEU A 67 -4.249 -3.069 1.477 1.00 1.00 H new ATOM 0 HA LEU A 67 -4.439 -1.165 -0.557 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -5.809 -3.368 0.042 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -6.859 -2.259 0.902 1.00 1.00 H new ATOM 0 HG LEU A 67 -6.583 -0.876 -1.438 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -6.700 -2.502 -3.306 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -5.154 -2.642 -2.434 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -6.442 -3.839 -2.159 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -8.774 -1.853 -2.075 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -8.511 -3.190 -0.930 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -8.706 -1.527 -0.327 1.00 1.00 H new ATOM 1052 N CYS A 68 -5.742 -0.228 2.330 1.00 1.00 N ATOM 1053 CA CYS A 68 -6.217 0.933 3.077 1.00 1.00 C ATOM 1054 C CYS A 68 -5.113 1.974 3.210 1.00 1.00 C ATOM 1055 O CYS A 68 -5.385 3.161 3.393 1.00 1.00 O ATOM 1056 CB CYS A 68 -6.680 0.501 4.470 1.00 1.00 C ATOM 1057 SG CYS A 68 -5.487 1.076 5.705 1.00 1.00 S ATOM 0 H CYS A 68 -5.682 -1.089 2.874 1.00 1.00 H new ATOM 0 HA CYS A 68 -7.053 1.374 2.534 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -7.667 0.913 4.682 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -6.772 -0.584 4.515 1.00 1.00 H new ATOM 0 HG CYS A 68 -5.414 0.212 6.673 1.00 1.00 H new ATOM 1063 N ARG A 69 -3.866 1.524 3.120 1.00 1.00 N ATOM 1064 CA ARG A 69 -2.728 2.428 3.236 1.00 1.00 C ATOM 1065 C ARG A 69 -2.602 3.294 1.988 1.00 1.00 C ATOM 1066 O ARG A 69 -2.317 4.486 2.079 1.00 1.00 O ATOM 1067 CB ARG A 69 -1.441 1.625 3.433 1.00 1.00 C ATOM 1068 CG ARG A 69 -0.812 1.985 4.780 1.00 1.00 C ATOM 1069 CD ARG A 69 -1.751 1.567 5.911 1.00 1.00 C ATOM 1070 NE ARG A 69 -2.167 2.735 6.680 1.00 1.00 N ATOM 1071 CZ ARG A 69 -3.104 2.642 7.616 1.00 1.00 C ATOM 1072 NH1 ARG A 69 -3.671 1.492 7.863 1.00 1.00 N ATOM 1073 NH2 ARG A 69 -3.458 3.701 8.292 1.00 1.00 N ATOM 0 H ARG A 69 -3.619 0.546 2.968 1.00 1.00 H new ATOM 0 HA ARG A 69 -2.889 3.075 4.099 1.00 1.00 H new ATOM 0 HB2 ARG A 69 -1.657 0.557 3.395 1.00 1.00 H new ATOM 0 HB3 ARG A 69 -0.741 1.837 2.625 1.00 1.00 H new ATOM 0 HG2 ARG A 69 0.150 1.485 4.889 1.00 1.00 H new ATOM 0 HG3 ARG A 69 -0.621 3.057 4.829 1.00 1.00 H new ATOM 0 HD2 ARG A 69 -2.626 1.063 5.499 1.00 1.00 H new ATOM 0 HD3 ARG A 69 -1.250 0.853 6.564 1.00 1.00 H new ATOM 0 HE ARG A 69 -1.731 3.638 6.495 1.00 1.00 H new ATOM 0 HH11 ARG A 69 -3.394 0.663 7.337 1.00 1.00 H new ATOM 0 HH12 ARG A 69 -4.391 1.422 8.582 1.00 1.00 H new ATOM 0 HH21 ARG A 69 -3.015 4.600 8.101 1.00 1.00 H new ATOM 0 HH22 ARG A 69 -4.178 3.630 9.011 1.00 1.00 H new ATOM 1087 N ARG A 70 -2.811 2.688 0.826 1.00 1.00 N ATOM 1088 CA ARG A 70 -2.711 3.420 -0.432 1.00 1.00 C ATOM 1089 C ARG A 70 -3.943 4.293 -0.649 1.00 1.00 C ATOM 1090 O ARG A 70 -3.823 5.494 -0.893 1.00 1.00 O ATOM 1091 CB ARG A 70 -2.560 2.442 -1.605 1.00 1.00 C ATOM 1092 CG ARG A 70 -1.469 1.402 -1.308 1.00 1.00 C ATOM 1093 CD ARG A 70 -0.245 2.063 -0.667 1.00 1.00 C ATOM 1094 NE ARG A 70 0.890 1.148 -0.692 1.00 1.00 N ATOM 1095 CZ ARG A 70 2.137 1.592 -0.581 1.00 1.00 C ATOM 1096 NH1 ARG A 70 2.363 2.868 -0.432 1.00 1.00 N ATOM 1097 NH2 ARG A 70 3.135 0.753 -0.618 1.00 1.00 N ATOM 0 H ARG A 70 -3.049 1.701 0.727 1.00 1.00 H new ATOM 0 HA ARG A 70 -1.831 4.061 -0.382 1.00 1.00 H new ATOM 0 HB2 ARG A 70 -3.509 1.938 -1.789 1.00 1.00 H new ATOM 0 HB3 ARG A 70 -2.309 2.991 -2.513 1.00 1.00 H new ATOM 0 HG2 ARG A 70 -1.864 0.635 -0.642 1.00 1.00 H new ATOM 0 HG3 ARG A 70 -1.176 0.902 -2.231 1.00 1.00 H new ATOM 0 HD2 ARG A 70 0.005 2.979 -1.202 1.00 1.00 H new ATOM 0 HD3 ARG A 70 -0.471 2.346 0.361 1.00 1.00 H new ATOM 0 HE ARG A 70 0.723 0.147 -0.797 1.00 1.00 H new ATOM 0 HH11 ARG A 70 1.583 3.524 -0.401 1.00 1.00 H new ATOM 0 HH12 ARG A 70 3.320 3.210 -0.347 1.00 1.00 H new ATOM 0 HH21 ARG A 70 2.958 -0.245 -0.732 1.00 1.00 H new ATOM 0 HH22 ARG A 70 4.092 1.095 -0.533 1.00 1.00 H new ATOM 1111 N LEU A 71 -5.124 3.691 -0.564 1.00 1.00 N ATOM 1112 CA LEU A 71 -6.357 4.444 -0.760 1.00 1.00 C ATOM 1113 C LEU A 71 -6.392 5.651 0.172 1.00 1.00 C ATOM 1114 O LEU A 71 -6.632 6.777 -0.264 1.00 1.00 O ATOM 1115 CB LEU A 71 -7.571 3.546 -0.503 1.00 1.00 C ATOM 1116 CG LEU A 71 -7.588 2.400 -1.523 1.00 1.00 C ATOM 1117 CD1 LEU A 71 -8.368 1.219 -0.945 1.00 1.00 C ATOM 1118 CD2 LEU A 71 -8.260 2.858 -2.825 1.00 1.00 C ATOM 0 H LEU A 71 -5.254 2.699 -0.364 1.00 1.00 H new ATOM 0 HA LEU A 71 -6.391 4.796 -1.791 1.00 1.00 H new ATOM 0 HB2 LEU A 71 -7.531 3.145 0.510 1.00 1.00 H new ATOM 0 HB3 LEU A 71 -8.489 4.128 -0.579 1.00 1.00 H new ATOM 0 HG LEU A 71 -6.562 2.101 -1.736 1.00 1.00 H new ATOM 0 HD11 LEU A 71 -8.382 0.403 -1.668 1.00 1.00 H new ATOM 0 HD12 LEU A 71 -7.889 0.881 -0.026 1.00 1.00 H new ATOM 0 HD13 LEU A 71 -9.390 1.529 -0.729 1.00 1.00 H new ATOM 0 HD21 LEU A 71 -8.266 2.036 -3.540 1.00 1.00 H new ATOM 0 HD22 LEU A 71 -9.285 3.165 -2.617 1.00 1.00 H new ATOM 0 HD23 LEU A 71 -7.707 3.699 -3.243 1.00 1.00 H new ATOM 1130 N ASN A 72 -6.146 5.410 1.455 1.00 1.00 N ATOM 1131 CA ASN A 72 -6.147 6.488 2.438 1.00 1.00 C ATOM 1132 C ASN A 72 -5.159 7.577 2.034 1.00 1.00 C ATOM 1133 O ASN A 72 -5.455 8.767 2.143 1.00 1.00 O ATOM 1134 CB ASN A 72 -5.769 5.937 3.815 1.00 1.00 C ATOM 1135 CG ASN A 72 -5.841 7.048 4.857 1.00 1.00 C ATOM 1136 OD1 ASN A 72 -4.771 7.364 5.536 1.00 1.00 O flip ATOM 1137 ND2 ASN A 72 -6.899 7.644 5.059 1.00 1.00 N flip ATOM 0 H ASN A 72 -5.945 4.486 1.837 1.00 1.00 H new ATOM 0 HA ASN A 72 -7.148 6.918 2.482 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -6.443 5.125 4.089 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.763 5.519 3.785 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -7.734 7.396 4.528 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -6.941 8.386 5.758 1.00 1.00 H new ATOM 1144 N THR A 73 -3.985 7.163 1.568 1.00 1.00 N ATOM 1145 CA THR A 73 -2.963 8.116 1.153 1.00 1.00 C ATOM 1146 C THR A 73 -3.434 8.913 -0.058 1.00 1.00 C ATOM 1147 O THR A 73 -3.447 10.143 -0.036 1.00 1.00 O ATOM 1148 CB THR A 73 -1.665 7.379 0.810 1.00 1.00 C ATOM 1149 OG1 THR A 73 -1.264 6.590 1.921 1.00 1.00 O ATOM 1150 CG2 THR A 73 -0.570 8.395 0.486 1.00 1.00 C ATOM 0 H THR A 73 -3.720 6.183 1.469 1.00 1.00 H new ATOM 0 HA THR A 73 -2.780 8.804 1.978 1.00 1.00 H new ATOM 0 HB THR A 73 -1.830 6.736 -0.055 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.929 5.888 2.080 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.353 7.870 0.242 1.00 1.00 H new ATOM 0 HG22 THR A 73 -0.878 9.002 -0.365 1.00 1.00 H new ATOM 0 HG23 THR A 73 -0.404 9.039 1.350 1.00 1.00 H new ATOM 1158 N LEU A 74 -3.814 8.206 -1.117 1.00 1.00 N ATOM 1159 CA LEU A 74 -4.277 8.863 -2.331 1.00 1.00 C ATOM 1160 C LEU A 74 -5.454 9.789 -2.028 1.00 1.00 C ATOM 1161 O LEU A 74 -5.494 10.925 -2.499 1.00 1.00 O ATOM 1162 CB LEU A 74 -4.695 7.817 -3.369 1.00 1.00 C ATOM 1163 CG LEU A 74 -3.508 7.499 -4.289 1.00 1.00 C ATOM 1164 CD1 LEU A 74 -3.834 6.274 -5.145 1.00 1.00 C ATOM 1165 CD2 LEU A 74 -3.218 8.690 -5.211 1.00 1.00 C ATOM 0 H LEU A 74 -3.810 7.187 -1.159 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.458 9.460 -2.732 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -5.034 6.909 -2.869 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -5.534 8.189 -3.957 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.632 7.298 -3.672 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -2.990 6.051 -5.797 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -4.029 5.419 -4.498 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -4.717 6.478 -5.751 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -2.374 8.452 -5.858 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -4.096 8.900 -5.822 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -2.977 9.566 -4.609 1.00 1.00 H new ATOM 1177 N ASN A 75 -6.405 9.300 -1.238 1.00 1.00 N ATOM 1178 CA ASN A 75 -7.570 10.104 -0.882 1.00 1.00 C ATOM 1179 C ASN A 75 -7.132 11.461 -0.342 1.00 1.00 C ATOM 1180 O ASN A 75 -7.662 12.499 -0.739 1.00 1.00 O ATOM 1181 CB ASN A 75 -8.409 9.381 0.174 1.00 1.00 C ATOM 1182 CG ASN A 75 -8.996 8.105 -0.412 1.00 1.00 C ATOM 1183 OD1 ASN A 75 -8.524 7.615 -1.437 1.00 1.00 O ATOM 1184 ND2 ASN A 75 -10.005 7.530 0.185 1.00 1.00 N ATOM 0 H ASN A 75 -6.394 8.363 -0.836 1.00 1.00 H new ATOM 0 HA ASN A 75 -8.172 10.253 -1.779 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -7.792 9.143 1.040 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -9.210 10.033 0.523 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -10.403 6.673 -0.198 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -10.395 7.938 1.035 1.00 1.00 H new ATOM 1191 N LYS A 76 -6.160 11.441 0.562 1.00 1.00 N ATOM 1192 CA LYS A 76 -5.650 12.673 1.151 1.00 1.00 C ATOM 1193 C LYS A 76 -4.941 13.511 0.094 1.00 1.00 C ATOM 1194 O LYS A 76 -4.850 14.733 0.213 1.00 1.00 O ATOM 1195 CB LYS A 76 -4.672 12.338 2.279 1.00 1.00 C ATOM 1196 CG LYS A 76 -5.443 11.771 3.470 1.00 1.00 C ATOM 1197 CD LYS A 76 -4.485 11.557 4.644 1.00 1.00 C ATOM 1198 CE LYS A 76 -4.552 10.099 5.099 1.00 1.00 C ATOM 1199 NZ LYS A 76 -4.002 9.219 4.030 1.00 1.00 N ATOM 0 H LYS A 76 -5.711 10.590 0.902 1.00 1.00 H new ATOM 0 HA LYS A 76 -6.488 13.244 1.551 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -3.934 11.615 1.932 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -4.125 13.232 2.578 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -6.241 12.455 3.759 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -5.915 10.828 3.195 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -3.467 11.810 4.347 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -4.750 12.219 5.469 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -3.984 9.968 6.020 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -5.583 9.822 5.318 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -3.858 8.261 4.409 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -4.671 9.180 3.235 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -3.093 9.601 3.699 1.00 1.00 H new ATOM 1213 N CYS A 77 -4.437 12.843 -0.936 1.00 1.00 N ATOM 1214 CA CYS A 77 -3.731 13.527 -2.010 1.00 1.00 C ATOM 1215 C CYS A 77 -4.669 13.807 -3.182 1.00 1.00 C ATOM 1216 O CYS A 77 -4.314 14.526 -4.114 1.00 1.00 O ATOM 1217 CB CYS A 77 -2.559 12.668 -2.482 1.00 1.00 C ATOM 1218 SG CYS A 77 -2.719 12.347 -4.257 1.00 1.00 S ATOM 0 H CYS A 77 -4.504 11.832 -1.050 1.00 1.00 H new ATOM 0 HA CYS A 77 -3.359 14.478 -1.630 1.00 1.00 H new ATOM 0 HB2 CYS A 77 -1.617 13.176 -2.277 1.00 1.00 H new ATOM 0 HB3 CYS A 77 -2.540 11.727 -1.932 1.00 1.00 H new ATOM 0 HG CYS A 77 -3.109 13.430 -4.860 1.00 1.00 H new ATOM 1224 N ALA A 78 -5.865 13.231 -3.127 1.00 1.00 N ATOM 1225 CA ALA A 78 -6.843 13.424 -4.190 1.00 1.00 C ATOM 1226 C ALA A 78 -7.526 14.782 -4.051 1.00 1.00 C ATOM 1227 O ALA A 78 -8.048 15.328 -5.023 1.00 1.00 O ATOM 1228 CB ALA A 78 -7.897 12.315 -4.140 1.00 1.00 C ATOM 0 H ALA A 78 -6.178 12.631 -2.364 1.00 1.00 H new ATOM 0 HA ALA A 78 -6.322 13.387 -5.147 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -8.624 12.467 -4.938 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -7.413 11.347 -4.270 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -8.406 12.340 -3.176 1.00 1.00 H new