USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 460 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 Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 26:sc= 0.203 USER MOD Single : A 43 SER OG : rot -172:sc= -4.96! USER MOD Single : A 45 GLN : amide:sc=-1.7e-05 X(o=-1.7e-05,f=-0.22) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.4) USER MOD Single : A 50 MET CE :methyl 180:sc= -0.0207 (180deg=-0.0207) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 70:sc= -1.19 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 136:sc= 0.601 USER MOD Single : A 76 ASN : amide:sc= -8.85! C(o=-8.9!,f=-16!) USER MOD Single : A 77 TYR OH : rot 19:sc= 0.129 USER MOD Single : A 83 SER OG : rot -44:sc= 0.672 USER MOD ----------------------------------------------------------------- ATOM 323 N ILE A 26 -3.425 -8.634 -15.449 1.00 0.00 N ATOM 324 CA ILE A 26 -2.638 -7.422 -15.604 1.00 0.00 C ATOM 325 C ILE A 26 -1.581 -7.361 -14.500 1.00 0.00 C ATOM 326 O ILE A 26 -1.862 -6.905 -13.391 1.00 0.00 O ATOM 327 CB ILE A 26 -3.548 -6.194 -15.652 1.00 0.00 C ATOM 328 CG1 ILE A 26 -4.260 -6.093 -17.003 1.00 0.00 C ATOM 329 CG2 ILE A 26 -2.770 -4.920 -15.317 1.00 0.00 C ATOM 330 CD1 ILE A 26 -3.350 -5.456 -18.056 1.00 0.00 C ATOM 0 HA ILE A 26 -2.106 -7.433 -16.555 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.318 -6.309 -14.889 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.564 -7.086 -17.333 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.169 -5.500 -16.896 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.441 -4.062 -15.359 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.349 -5.003 -14.315 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.964 -4.785 -16.039 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.880 -5.396 -19.007 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.067 -4.454 -17.734 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.454 -6.064 -18.178 1.00 0.00 H new ATOM 342 N ILE A 27 -0.388 -7.826 -14.839 1.00 0.00 N ATOM 343 CA ILE A 27 0.712 -7.830 -13.889 1.00 0.00 C ATOM 344 C ILE A 27 1.399 -6.463 -13.907 1.00 0.00 C ATOM 345 O ILE A 27 1.769 -5.964 -14.968 1.00 0.00 O ATOM 346 CB ILE A 27 1.660 -8.998 -14.171 1.00 0.00 C ATOM 347 CG1 ILE A 27 0.877 -10.282 -14.456 1.00 0.00 C ATOM 348 CG2 ILE A 27 2.662 -9.180 -13.029 1.00 0.00 C ATOM 349 CD1 ILE A 27 0.226 -10.823 -13.182 1.00 0.00 C ATOM 0 H ILE A 27 -0.159 -8.203 -15.759 1.00 0.00 H new ATOM 0 HA ILE A 27 0.341 -7.989 -12.877 1.00 0.00 H new ATOM 0 HB ILE A 27 2.234 -8.764 -15.068 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.110 -10.085 -15.205 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.546 -11.034 -14.874 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.323 -10.016 -13.255 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.253 -8.271 -12.915 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.125 -9.382 -12.102 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.324 -11.735 -13.413 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.998 -11.042 -12.444 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.460 -10.078 -12.780 1.00 0.00 H new ATOM 361 N VAL A 28 1.551 -5.898 -12.718 1.00 0.00 N ATOM 362 CA VAL A 28 2.188 -4.599 -12.582 1.00 0.00 C ATOM 363 C VAL A 28 3.178 -4.640 -11.417 1.00 0.00 C ATOM 364 O VAL A 28 2.839 -5.093 -10.326 1.00 0.00 O ATOM 365 CB VAL A 28 1.124 -3.509 -12.425 1.00 0.00 C ATOM 366 CG1 VAL A 28 0.230 -3.431 -13.664 1.00 0.00 C ATOM 367 CG2 VAL A 28 0.292 -3.734 -11.161 1.00 0.00 C ATOM 0 H VAL A 28 1.244 -6.316 -11.840 1.00 0.00 H new ATOM 0 HA VAL A 28 2.755 -4.355 -13.481 1.00 0.00 H new ATOM 0 HB VAL A 28 1.637 -2.553 -12.323 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.516 -2.649 -13.525 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.839 -3.201 -14.538 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.270 -4.388 -13.812 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.456 -2.946 -11.073 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.205 -4.702 -11.220 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.944 -3.714 -10.288 1.00 0.00 H new ATOM 377 N VAL A 29 4.383 -4.160 -11.690 1.00 0.00 N ATOM 378 CA VAL A 29 5.426 -4.136 -10.679 1.00 0.00 C ATOM 379 C VAL A 29 5.379 -2.801 -9.936 1.00 0.00 C ATOM 380 O VAL A 29 5.223 -1.748 -10.553 1.00 0.00 O ATOM 381 CB VAL A 29 6.785 -4.416 -11.323 1.00 0.00 C ATOM 382 CG1 VAL A 29 7.373 -3.144 -11.938 1.00 0.00 C ATOM 383 CG2 VAL A 29 7.754 -5.034 -10.312 1.00 0.00 C ATOM 0 H VAL A 29 4.660 -3.785 -12.597 1.00 0.00 H new ATOM 0 HA VAL A 29 5.263 -4.923 -9.942 1.00 0.00 H new ATOM 0 HB VAL A 29 6.633 -5.137 -12.126 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.339 -3.371 -12.389 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.696 -2.763 -12.703 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.503 -2.391 -11.161 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.712 -5.223 -10.795 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.897 -4.347 -9.478 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.343 -5.973 -9.941 1.00 0.00 H new ATOM 393 N ALA A 30 5.517 -2.886 -8.621 1.00 0.00 N ATOM 394 CA ALA A 30 5.493 -1.696 -7.787 1.00 0.00 C ATOM 395 C ALA A 30 6.704 -0.822 -8.119 1.00 0.00 C ATOM 396 O ALA A 30 7.844 -1.277 -8.040 1.00 0.00 O ATOM 397 CB ALA A 30 5.456 -2.106 -6.314 1.00 0.00 C ATOM 0 H ALA A 30 5.646 -3.761 -8.112 1.00 0.00 H new ATOM 0 HA ALA A 30 4.597 -1.107 -7.984 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.438 -1.214 -5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.562 -2.700 -6.124 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.341 -2.697 -6.078 1.00 0.00 H new ATOM 403 N LEU A 31 6.415 0.420 -8.482 1.00 0.00 N ATOM 404 CA LEU A 31 7.467 1.362 -8.826 1.00 0.00 C ATOM 405 C LEU A 31 8.066 1.940 -7.543 1.00 0.00 C ATOM 406 O LEU A 31 9.145 2.532 -7.570 1.00 0.00 O ATOM 407 CB LEU A 31 6.938 2.425 -9.791 1.00 0.00 C ATOM 408 CG LEU A 31 6.554 1.933 -11.188 1.00 0.00 C ATOM 409 CD1 LEU A 31 6.124 3.097 -12.082 1.00 0.00 C ATOM 410 CD2 LEU A 31 7.688 1.118 -11.813 1.00 0.00 C ATOM 0 H LEU A 31 5.469 0.795 -8.545 1.00 0.00 H new ATOM 0 HA LEU A 31 8.274 0.856 -9.356 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.063 2.894 -9.340 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.696 3.201 -9.897 1.00 0.00 H new ATOM 0 HG LEU A 31 5.695 1.269 -11.091 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.857 2.719 -13.069 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.262 3.597 -11.639 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.946 3.806 -12.176 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.389 0.780 -12.805 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.580 1.739 -11.894 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.904 0.253 -11.185 1.00 0.00 H new ATOM 422 N TYR A 32 7.343 1.748 -6.450 1.00 0.00 N ATOM 423 CA TYR A 32 7.791 2.242 -5.160 1.00 0.00 C ATOM 424 C TYR A 32 7.108 1.489 -4.017 1.00 0.00 C ATOM 425 O TYR A 32 5.984 1.013 -4.166 1.00 0.00 O ATOM 426 CB TYR A 32 7.374 3.714 -5.105 1.00 0.00 C ATOM 427 CG TYR A 32 7.455 4.434 -6.452 1.00 0.00 C ATOM 428 CD1 TYR A 32 8.660 4.942 -6.892 1.00 0.00 C ATOM 429 CD2 TYR A 32 6.322 4.575 -7.227 1.00 0.00 C ATOM 430 CE1 TYR A 32 8.736 5.620 -8.160 1.00 0.00 C ATOM 431 CE2 TYR A 32 6.397 5.253 -8.495 1.00 0.00 C ATOM 432 CZ TYR A 32 7.601 5.742 -8.899 1.00 0.00 C ATOM 433 OH TYR A 32 7.672 6.382 -10.097 1.00 0.00 O ATOM 0 H TYR A 32 6.449 1.257 -6.431 1.00 0.00 H new ATOM 0 HA TYR A 32 8.867 2.107 -5.050 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.352 3.778 -4.731 1.00 0.00 H new ATOM 0 HB3 TYR A 32 8.009 4.234 -4.388 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.546 4.831 -6.285 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.379 4.177 -6.882 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.673 6.022 -8.516 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.518 5.371 -9.111 1.00 0.00 H new ATOM 0 HH TYR A 32 6.786 6.393 -10.515 1.00 0.00 H new ATOM 443 N ASP A 33 7.817 1.404 -2.900 1.00 0.00 N ATOM 444 CA ASP A 33 7.293 0.716 -1.732 1.00 0.00 C ATOM 445 C ASP A 33 5.973 1.366 -1.311 1.00 0.00 C ATOM 446 O ASP A 33 5.820 2.583 -1.404 1.00 0.00 O ATOM 447 CB ASP A 33 8.264 0.813 -0.553 1.00 0.00 C ATOM 448 CG ASP A 33 8.481 2.226 -0.009 1.00 0.00 C ATOM 449 OD1 ASP A 33 7.486 2.803 0.484 1.00 0.00 O ATOM 450 OD2 ASP A 33 9.634 2.699 -0.096 1.00 0.00 O ATOM 0 H ASP A 33 8.749 1.800 -2.779 1.00 0.00 H new ATOM 0 HA ASP A 33 7.149 -0.332 -1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.895 0.181 0.255 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.227 0.406 -0.861 1.00 0.00 H new ATOM 455 N TYR A 34 5.054 0.527 -0.858 1.00 0.00 N ATOM 456 CA TYR A 34 3.754 1.005 -0.422 1.00 0.00 C ATOM 457 C TYR A 34 3.250 0.204 0.780 1.00 0.00 C ATOM 458 O TYR A 34 3.178 -1.022 0.728 1.00 0.00 O ATOM 459 CB TYR A 34 2.806 0.781 -1.603 1.00 0.00 C ATOM 460 CG TYR A 34 1.395 1.330 -1.381 1.00 0.00 C ATOM 461 CD1 TYR A 34 1.151 2.681 -1.523 1.00 0.00 C ATOM 462 CD2 TYR A 34 0.367 0.475 -1.038 1.00 0.00 C ATOM 463 CE1 TYR A 34 -0.177 3.198 -1.314 1.00 0.00 C ATOM 464 CE2 TYR A 34 -0.961 0.992 -0.830 1.00 0.00 C ATOM 465 CZ TYR A 34 -1.167 2.328 -0.978 1.00 0.00 C ATOM 466 OH TYR A 34 -2.421 2.817 -0.781 1.00 0.00 O ATOM 0 H TYR A 34 5.184 -0.482 -0.783 1.00 0.00 H new ATOM 0 HA TYR A 34 3.810 2.052 -0.122 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.231 1.249 -2.491 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.741 -0.288 -1.806 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.955 3.350 -1.791 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.559 -0.582 -0.926 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.382 4.253 -1.422 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.774 0.334 -0.563 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.533 3.645 -1.293 1.00 0.00 H new ATOM 476 N GLU A 35 2.914 0.931 1.835 1.00 0.00 N ATOM 477 CA GLU A 35 2.418 0.304 3.050 1.00 0.00 C ATOM 478 C GLU A 35 0.984 0.757 3.333 1.00 0.00 C ATOM 479 O GLU A 35 0.710 1.343 4.380 1.00 0.00 O ATOM 480 CB GLU A 35 3.335 0.608 4.236 1.00 0.00 C ATOM 481 CG GLU A 35 3.928 -0.678 4.814 1.00 0.00 C ATOM 482 CD GLU A 35 4.070 -0.582 6.334 1.00 0.00 C ATOM 483 OE1 GLU A 35 4.968 0.168 6.775 1.00 0.00 O ATOM 484 OE2 GLU A 35 3.277 -1.261 7.023 1.00 0.00 O ATOM 0 H GLU A 35 2.975 1.948 1.875 1.00 0.00 H new ATOM 0 HA GLU A 35 2.414 -0.776 2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.139 1.272 3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.774 1.133 5.009 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.290 -1.524 4.558 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.903 -0.867 4.365 1.00 0.00 H new ATOM 491 N ALA A 36 0.107 0.467 2.384 1.00 0.00 N ATOM 492 CA ALA A 36 -1.291 0.836 2.519 1.00 0.00 C ATOM 493 C ALA A 36 -1.390 2.204 3.196 1.00 0.00 C ATOM 494 O ALA A 36 -1.486 2.291 4.419 1.00 0.00 O ATOM 495 CB ALA A 36 -2.035 -0.253 3.295 1.00 0.00 C ATOM 0 H ALA A 36 0.338 -0.020 1.518 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.762 0.918 1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.084 0.025 3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.960 -1.198 2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.592 -0.362 4.285 1.00 0.00 H new ATOM 569 N ASP A 41 -6.851 -0.694 0.677 1.00 0.00 N ATOM 570 CA ASP A 41 -5.700 -0.728 -0.209 1.00 0.00 C ATOM 571 C ASP A 41 -4.767 -1.864 0.217 1.00 0.00 C ATOM 572 O ASP A 41 -4.770 -2.270 1.379 1.00 0.00 O ATOM 573 CB ASP A 41 -4.912 0.582 -0.140 1.00 0.00 C ATOM 574 CG ASP A 41 -5.583 1.776 -0.822 1.00 0.00 C ATOM 575 OD1 ASP A 41 -6.414 2.422 -0.147 1.00 0.00 O ATOM 576 OD2 ASP A 41 -5.248 2.017 -2.001 1.00 0.00 O ATOM 0 HA ASP A 41 -6.062 -0.878 -1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.740 0.830 0.907 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.934 0.425 -0.595 1.00 0.00 H new ATOM 581 N LEU A 42 -3.992 -2.343 -0.744 1.00 0.00 N ATOM 582 CA LEU A 42 -3.056 -3.423 -0.483 1.00 0.00 C ATOM 583 C LEU A 42 -1.650 -2.844 -0.311 1.00 0.00 C ATOM 584 O LEU A 42 -1.320 -1.820 -0.906 1.00 0.00 O ATOM 585 CB LEU A 42 -3.153 -4.491 -1.574 1.00 0.00 C ATOM 586 CG LEU A 42 -2.534 -5.850 -1.238 1.00 0.00 C ATOM 587 CD1 LEU A 42 -3.445 -6.654 -0.310 1.00 0.00 C ATOM 588 CD2 LEU A 42 -2.187 -6.623 -2.513 1.00 0.00 C ATOM 0 H LEU A 42 -3.993 -2.003 -1.706 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.308 -3.929 0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.205 -4.643 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.673 -4.108 -2.474 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.601 -5.678 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.981 -7.615 -0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.599 -6.102 0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.406 -6.819 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.749 -7.585 -2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.092 -6.786 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.472 -6.049 -3.103 1.00 0.00 H new ATOM 600 N SER A 43 -0.860 -3.526 0.505 1.00 0.00 N ATOM 601 CA SER A 43 0.503 -3.092 0.762 1.00 0.00 C ATOM 602 C SER A 43 1.486 -3.960 -0.025 1.00 0.00 C ATOM 603 O SER A 43 1.285 -5.167 -0.157 1.00 0.00 O ATOM 604 CB SER A 43 0.825 -3.146 2.257 1.00 0.00 C ATOM 605 OG SER A 43 0.588 -1.896 2.900 1.00 0.00 O ATOM 0 H SER A 43 -1.137 -4.376 0.997 1.00 0.00 H new ATOM 0 HA SER A 43 0.600 -2.057 0.434 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.219 -3.918 2.731 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.868 -3.432 2.393 1.00 0.00 H new ATOM 0 HG SER A 43 0.922 -1.933 3.820 1.00 0.00 H new ATOM 611 N PHE A 44 2.528 -3.313 -0.526 1.00 0.00 N ATOM 612 CA PHE A 44 3.542 -4.012 -1.296 1.00 0.00 C ATOM 613 C PHE A 44 4.896 -3.309 -1.186 1.00 0.00 C ATOM 614 O PHE A 44 5.037 -2.342 -0.439 1.00 0.00 O ATOM 615 CB PHE A 44 3.088 -3.992 -2.758 1.00 0.00 C ATOM 616 CG PHE A 44 2.595 -2.626 -3.236 1.00 0.00 C ATOM 617 CD1 PHE A 44 3.484 -1.699 -3.682 1.00 0.00 C ATOM 618 CD2 PHE A 44 1.266 -2.337 -3.216 1.00 0.00 C ATOM 619 CE1 PHE A 44 3.027 -0.430 -4.127 1.00 0.00 C ATOM 620 CE2 PHE A 44 0.807 -1.069 -3.661 1.00 0.00 C ATOM 621 CZ PHE A 44 1.698 -0.142 -4.107 1.00 0.00 C ATOM 0 H PHE A 44 2.692 -2.313 -0.414 1.00 0.00 H new ATOM 0 HA PHE A 44 3.659 -5.028 -0.920 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.918 -4.309 -3.390 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.289 -4.722 -2.890 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.539 -1.928 -3.698 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.559 -3.073 -2.861 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.734 0.306 -4.481 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.248 -0.840 -3.646 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.350 0.823 -4.445 1.00 0.00 H new ATOM 631 N GLN A 45 5.857 -3.821 -1.940 1.00 0.00 N ATOM 632 CA GLN A 45 7.195 -3.254 -1.936 1.00 0.00 C ATOM 633 C GLN A 45 7.647 -2.951 -3.366 1.00 0.00 C ATOM 634 O GLN A 45 7.148 -3.548 -4.318 1.00 0.00 O ATOM 635 CB GLN A 45 8.184 -4.186 -1.234 1.00 0.00 C ATOM 636 CG GLN A 45 8.013 -4.124 0.286 1.00 0.00 C ATOM 637 CD GLN A 45 8.691 -5.317 0.964 1.00 0.00 C ATOM 638 OE1 GLN A 45 8.500 -6.464 0.594 1.00 0.00 O ATOM 639 NE2 GLN A 45 9.489 -4.983 1.973 1.00 0.00 N ATOM 0 H GLN A 45 5.736 -4.623 -2.558 1.00 0.00 H new ATOM 0 HA GLN A 45 7.170 -2.318 -1.377 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.033 -5.209 -1.579 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.204 -3.907 -1.500 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.439 -3.195 0.666 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.952 -4.114 0.536 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.603 -4.002 2.230 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.987 -5.707 2.491 1.00 0.00 H new ATOM 648 N LYS A 46 8.588 -2.024 -3.471 1.00 0.00 N ATOM 649 CA LYS A 46 9.114 -1.635 -4.768 1.00 0.00 C ATOM 650 C LYS A 46 9.786 -2.842 -5.424 1.00 0.00 C ATOM 651 O LYS A 46 10.907 -3.202 -5.069 1.00 0.00 O ATOM 652 CB LYS A 46 10.031 -0.418 -4.631 1.00 0.00 C ATOM 653 CG LYS A 46 10.486 0.082 -6.003 1.00 0.00 C ATOM 654 CD LYS A 46 11.923 0.602 -5.949 1.00 0.00 C ATOM 655 CE LYS A 46 12.679 0.262 -7.235 1.00 0.00 C ATOM 656 NZ LYS A 46 13.988 -0.355 -6.921 1.00 0.00 N ATOM 0 H LYS A 46 9.000 -1.531 -2.679 1.00 0.00 H new ATOM 0 HA LYS A 46 8.306 -1.323 -5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.507 0.380 -4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.901 -0.679 -4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.415 -0.727 -6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.821 0.876 -6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.917 1.682 -5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.439 0.166 -5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.085 -0.421 -7.843 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.829 1.166 -7.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.487 -0.579 -7.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.559 0.309 -6.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.838 -1.229 -6.377 1.00 0.00 H new ATOM 670 N GLY A 47 9.073 -3.435 -6.371 1.00 0.00 N ATOM 671 CA GLY A 47 9.587 -4.594 -7.079 1.00 0.00 C ATOM 672 C GLY A 47 8.632 -5.783 -6.952 1.00 0.00 C ATOM 673 O GLY A 47 8.886 -6.850 -7.508 1.00 0.00 O ATOM 0 H GLY A 47 8.144 -3.134 -6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.729 -4.348 -8.131 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.565 -4.864 -6.680 1.00 0.00 H new ATOM 677 N ASP A 48 7.553 -5.558 -6.217 1.00 0.00 N ATOM 678 CA ASP A 48 6.558 -6.597 -6.010 1.00 0.00 C ATOM 679 C ASP A 48 5.592 -6.615 -7.196 1.00 0.00 C ATOM 680 O ASP A 48 5.311 -5.575 -7.789 1.00 0.00 O ATOM 681 CB ASP A 48 5.745 -6.335 -4.742 1.00 0.00 C ATOM 682 CG ASP A 48 5.647 -7.521 -3.780 1.00 0.00 C ATOM 683 OD1 ASP A 48 4.785 -8.389 -4.036 1.00 0.00 O ATOM 684 OD2 ASP A 48 6.436 -7.534 -2.811 1.00 0.00 O ATOM 0 H ASP A 48 7.346 -4.671 -5.757 1.00 0.00 H new ATOM 0 HA ASP A 48 7.079 -7.549 -5.914 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.188 -5.492 -4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.737 -6.036 -5.030 1.00 0.00 H new ATOM 689 N GLN A 49 5.110 -7.810 -7.507 1.00 0.00 N ATOM 690 CA GLN A 49 4.181 -7.978 -8.611 1.00 0.00 C ATOM 691 C GLN A 49 2.784 -8.307 -8.084 1.00 0.00 C ATOM 692 O GLN A 49 2.641 -9.040 -7.106 1.00 0.00 O ATOM 693 CB GLN A 49 4.670 -9.057 -9.580 1.00 0.00 C ATOM 694 CG GLN A 49 6.057 -8.714 -10.127 1.00 0.00 C ATOM 695 CD GLN A 49 6.022 -8.555 -11.649 1.00 0.00 C ATOM 696 OE1 GLN A 49 6.630 -9.309 -12.391 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.278 -7.535 -12.069 1.00 0.00 N ATOM 0 H GLN A 49 5.346 -8.671 -7.013 1.00 0.00 H new ATOM 0 HA GLN A 49 4.128 -7.039 -9.162 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.704 -10.020 -9.071 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.964 -9.157 -10.405 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.414 -7.792 -9.669 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.763 -9.499 -9.856 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.796 -6.943 -11.393 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.190 -7.345 -13.067 1.00 0.00 H new ATOM 706 N MET A 50 1.787 -7.749 -8.754 1.00 0.00 N ATOM 707 CA MET A 50 0.405 -7.974 -8.366 1.00 0.00 C ATOM 708 C MET A 50 -0.465 -8.288 -9.585 1.00 0.00 C ATOM 709 O MET A 50 -0.212 -7.783 -10.678 1.00 0.00 O ATOM 710 CB MET A 50 -0.137 -6.729 -7.659 1.00 0.00 C ATOM 711 CG MET A 50 0.779 -6.311 -6.508 1.00 0.00 C ATOM 712 SD MET A 50 0.356 -4.665 -5.959 1.00 0.00 S ATOM 713 CE MET A 50 1.838 -3.790 -6.432 1.00 0.00 C ATOM 0 H MET A 50 1.909 -7.141 -9.564 1.00 0.00 H new ATOM 0 HA MET A 50 0.373 -8.829 -7.691 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.226 -5.911 -8.373 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.138 -6.930 -7.277 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.683 -7.015 -5.681 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.820 -6.339 -6.831 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.743 -2.739 -6.160 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.696 -4.222 -5.916 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.982 -3.874 -7.509 1.00 0.00 H new ATOM 723 N VAL A 51 -1.471 -9.120 -9.357 1.00 0.00 N ATOM 724 CA VAL A 51 -2.377 -9.507 -10.424 1.00 0.00 C ATOM 725 C VAL A 51 -3.606 -8.594 -10.399 1.00 0.00 C ATOM 726 O VAL A 51 -4.558 -8.849 -9.662 1.00 0.00 O ATOM 727 CB VAL A 51 -2.732 -10.990 -10.296 1.00 0.00 C ATOM 728 CG1 VAL A 51 -3.901 -11.355 -11.215 1.00 0.00 C ATOM 729 CG2 VAL A 51 -1.514 -11.871 -10.582 1.00 0.00 C ATOM 0 H VAL A 51 -1.678 -9.536 -8.449 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.899 -9.383 -11.396 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.044 -11.173 -9.268 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.133 -12.414 -11.105 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.775 -10.762 -10.945 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.628 -11.149 -12.250 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.793 -12.920 -10.484 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.159 -11.683 -11.595 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.722 -11.639 -9.870 1.00 0.00 H new ATOM 739 N VAL A 52 -3.544 -7.550 -11.212 1.00 0.00 N ATOM 740 CA VAL A 52 -4.640 -6.599 -11.292 1.00 0.00 C ATOM 741 C VAL A 52 -5.909 -7.325 -11.745 1.00 0.00 C ATOM 742 O VAL A 52 -5.952 -7.880 -12.842 1.00 0.00 O ATOM 743 CB VAL A 52 -4.257 -5.436 -12.210 1.00 0.00 C ATOM 744 CG1 VAL A 52 -5.502 -4.710 -12.724 1.00 0.00 C ATOM 745 CG2 VAL A 52 -3.310 -4.466 -11.500 1.00 0.00 C ATOM 0 H VAL A 52 -2.753 -7.342 -11.821 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.844 -6.169 -10.312 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.731 -5.848 -13.071 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.202 -3.888 -13.374 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.124 -5.407 -13.285 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.068 -4.317 -11.880 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.053 -3.649 -12.174 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.799 -4.064 -10.613 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.402 -4.993 -11.207 1.00 0.00 H new ATOM 755 N LEU A 53 -6.909 -7.298 -10.877 1.00 0.00 N ATOM 756 CA LEU A 53 -8.176 -7.946 -11.174 1.00 0.00 C ATOM 757 C LEU A 53 -9.182 -6.897 -11.649 1.00 0.00 C ATOM 758 O LEU A 53 -9.778 -7.041 -12.716 1.00 0.00 O ATOM 759 CB LEU A 53 -8.656 -8.759 -9.970 1.00 0.00 C ATOM 760 CG LEU A 53 -7.580 -9.542 -9.217 1.00 0.00 C ATOM 761 CD1 LEU A 53 -8.094 -10.007 -7.853 1.00 0.00 C ATOM 762 CD2 LEU A 53 -7.057 -10.706 -10.060 1.00 0.00 C ATOM 0 H LEU A 53 -6.868 -6.838 -9.968 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.057 -8.663 -11.986 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.141 -8.080 -9.268 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.416 -9.461 -10.311 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.738 -8.875 -9.033 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.309 -10.561 -7.338 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.377 -9.140 -7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.962 -10.651 -7.992 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.293 -11.246 -9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.879 -11.382 -10.297 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.626 -10.321 -10.984 1.00 0.00 H new ATOM 774 N GLU A 54 -9.341 -5.863 -10.835 1.00 0.00 N ATOM 775 CA GLU A 54 -10.265 -4.791 -11.159 1.00 0.00 C ATOM 776 C GLU A 54 -9.511 -3.468 -11.307 1.00 0.00 C ATOM 777 O GLU A 54 -8.608 -3.173 -10.526 1.00 0.00 O ATOM 778 CB GLU A 54 -11.367 -4.679 -10.104 1.00 0.00 C ATOM 779 CG GLU A 54 -12.550 -5.586 -10.449 1.00 0.00 C ATOM 780 CD GLU A 54 -13.689 -5.408 -9.442 1.00 0.00 C ATOM 781 OE1 GLU A 54 -13.604 -6.045 -8.370 1.00 0.00 O ATOM 782 OE2 GLU A 54 -14.619 -4.639 -9.768 1.00 0.00 O ATOM 0 H GLU A 54 -8.845 -5.746 -9.952 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.742 -5.024 -12.111 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.969 -4.951 -9.126 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.705 -3.645 -10.034 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.908 -5.357 -11.453 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.225 -6.626 -10.456 1.00 0.00 H new ATOM 822 N GLU A 58 -7.802 4.711 -11.009 1.00 0.00 N ATOM 823 CA GLU A 58 -6.377 4.710 -10.721 1.00 0.00 C ATOM 824 C GLU A 58 -6.009 3.497 -9.865 1.00 0.00 C ATOM 825 O GLU A 58 -5.190 2.673 -10.269 1.00 0.00 O ATOM 826 CB GLU A 58 -5.955 6.012 -10.038 1.00 0.00 C ATOM 827 CG GLU A 58 -6.434 7.229 -10.832 1.00 0.00 C ATOM 828 CD GLU A 58 -7.299 8.145 -9.964 1.00 0.00 C ATOM 829 OE1 GLU A 58 -7.978 7.601 -9.067 1.00 0.00 O ATOM 830 OE2 GLU A 58 -7.261 9.368 -10.217 1.00 0.00 O ATOM 0 HA GLU A 58 -5.836 4.641 -11.665 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.366 6.047 -9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.870 6.041 -9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.574 7.784 -11.208 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.005 6.899 -11.700 1.00 0.00 H new ATOM 837 N TRP A 59 -6.632 3.425 -8.699 1.00 0.00 N ATOM 838 CA TRP A 59 -6.381 2.326 -7.782 1.00 0.00 C ATOM 839 C TRP A 59 -7.063 1.077 -8.343 1.00 0.00 C ATOM 840 O TRP A 59 -8.267 1.082 -8.594 1.00 0.00 O ATOM 841 CB TRP A 59 -6.845 2.675 -6.366 1.00 0.00 C ATOM 842 CG TRP A 59 -6.347 4.032 -5.866 1.00 0.00 C ATOM 843 CD1 TRP A 59 -6.836 5.247 -6.152 1.00 0.00 C ATOM 844 CD2 TRP A 59 -5.236 4.265 -4.974 1.00 0.00 C ATOM 845 NE1 TRP A 59 -6.124 6.241 -5.512 1.00 0.00 N ATOM 846 CE2 TRP A 59 -5.121 5.625 -4.773 1.00 0.00 C ATOM 847 CE3 TRP A 59 -4.358 3.356 -4.358 1.00 0.00 C ATOM 848 CZ2 TRP A 59 -4.139 6.199 -3.956 1.00 0.00 C ATOM 849 CZ3 TRP A 59 -3.383 3.945 -3.543 1.00 0.00 C ATOM 850 CH2 TRP A 59 -3.253 5.312 -3.331 1.00 0.00 C ATOM 0 H TRP A 59 -7.311 4.110 -8.367 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.312 2.131 -7.698 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.935 2.667 -6.339 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.503 1.899 -5.681 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -7.680 5.425 -6.801 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.301 7.244 -5.571 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.430 2.288 -4.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.069 7.267 -3.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.683 3.291 -3.044 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.472 5.689 -2.687 1.00 0.00 H new ATOM 861 N TRP A 60 -6.263 0.035 -8.524 1.00 0.00 N ATOM 862 CA TRP A 60 -6.775 -1.218 -9.052 1.00 0.00 C ATOM 863 C TRP A 60 -6.685 -2.269 -7.943 1.00 0.00 C ATOM 864 O TRP A 60 -5.872 -2.144 -7.028 1.00 0.00 O ATOM 865 CB TRP A 60 -6.026 -1.625 -10.322 1.00 0.00 C ATOM 866 CG TRP A 60 -5.793 -0.474 -11.303 1.00 0.00 C ATOM 867 CD1 TRP A 60 -6.565 0.601 -11.510 1.00 0.00 C ATOM 868 CD2 TRP A 60 -4.677 -0.327 -12.206 1.00 0.00 C ATOM 869 NE1 TRP A 60 -6.031 1.428 -12.478 1.00 0.00 N ATOM 870 CE2 TRP A 60 -4.847 0.846 -12.914 1.00 0.00 C ATOM 871 CE3 TRP A 60 -3.563 -1.156 -12.418 1.00 0.00 C ATOM 872 CZ2 TRP A 60 -3.940 1.295 -13.882 1.00 0.00 C ATOM 873 CZ3 TRP A 60 -2.665 -0.693 -13.388 1.00 0.00 C ATOM 874 CH2 TRP A 60 -2.821 0.484 -14.110 1.00 0.00 C ATOM 0 H TRP A 60 -5.265 0.034 -8.314 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.818 -1.113 -9.350 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -5.063 -2.051 -10.042 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.588 -2.411 -10.827 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.489 0.796 -10.986 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.432 2.305 -12.812 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.411 -2.078 -11.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.095 2.217 -14.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.790 -1.293 -13.589 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.083 0.772 -14.844 1.00 0.00 H new ATOM 885 N LYS A 61 -7.532 -3.281 -8.060 1.00 0.00 N ATOM 886 CA LYS A 61 -7.558 -4.352 -7.079 1.00 0.00 C ATOM 887 C LYS A 61 -6.743 -5.537 -7.601 1.00 0.00 C ATOM 888 O LYS A 61 -7.244 -6.344 -8.383 1.00 0.00 O ATOM 889 CB LYS A 61 -9.001 -4.712 -6.717 1.00 0.00 C ATOM 890 CG LYS A 61 -9.042 -5.804 -5.647 1.00 0.00 C ATOM 891 CD LYS A 61 -10.058 -6.889 -6.010 1.00 0.00 C ATOM 892 CE LYS A 61 -10.759 -7.424 -4.760 1.00 0.00 C ATOM 893 NZ LYS A 61 -12.217 -7.530 -4.990 1.00 0.00 N ATOM 0 H LYS A 61 -8.205 -3.382 -8.819 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.091 -4.027 -6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.521 -3.825 -6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.529 -5.051 -7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.053 -6.249 -5.538 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.302 -5.365 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.797 -6.483 -6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.554 -7.706 -6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.354 -8.402 -4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.565 -6.763 -3.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.678 -7.895 -4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.602 -6.591 -5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.397 -8.179 -5.782 1.00 0.00 H new ATOM 907 N ALA A 62 -5.500 -5.604 -7.149 1.00 0.00 N ATOM 908 CA ALA A 62 -4.609 -6.675 -7.561 1.00 0.00 C ATOM 909 C ALA A 62 -4.214 -7.503 -6.337 1.00 0.00 C ATOM 910 O ALA A 62 -4.357 -7.048 -5.203 1.00 0.00 O ATOM 911 CB ALA A 62 -3.397 -6.084 -8.283 1.00 0.00 C ATOM 0 H ALA A 62 -5.088 -4.933 -6.501 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.110 -7.342 -8.262 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.729 -6.888 -8.592 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.730 -5.532 -9.162 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.866 -5.410 -7.611 1.00 0.00 H new ATOM 917 N ARG A 63 -3.723 -8.704 -6.607 1.00 0.00 N ATOM 918 CA ARG A 63 -3.306 -9.598 -5.541 1.00 0.00 C ATOM 919 C ARG A 63 -1.781 -9.730 -5.525 1.00 0.00 C ATOM 920 O ARG A 63 -1.165 -9.979 -6.560 1.00 0.00 O ATOM 921 CB ARG A 63 -3.928 -10.985 -5.710 1.00 0.00 C ATOM 922 CG ARG A 63 -3.074 -12.057 -5.031 1.00 0.00 C ATOM 923 CD ARG A 63 -2.258 -12.842 -6.060 1.00 0.00 C ATOM 924 NE ARG A 63 -3.159 -13.660 -6.902 1.00 0.00 N ATOM 925 CZ ARG A 63 -2.756 -14.367 -7.967 1.00 0.00 C ATOM 926 NH1 ARG A 63 -1.466 -14.359 -8.327 1.00 0.00 N ATOM 927 NH2 ARG A 63 -3.644 -15.080 -8.672 1.00 0.00 N ATOM 0 H ARG A 63 -3.605 -9.078 -7.548 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.648 -9.171 -4.598 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.931 -10.991 -5.284 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.030 -11.215 -6.771 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.403 -11.590 -4.310 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.716 -12.739 -4.474 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.687 -12.155 -6.685 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.538 -13.484 -5.552 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.149 -13.688 -6.657 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.790 -13.815 -7.791 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.159 -14.897 -9.137 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.627 -15.085 -8.398 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.338 -15.618 -9.483 1.00 0.00 H new ATOM 941 N SER A 64 -1.216 -9.556 -4.340 1.00 0.00 N ATOM 942 CA SER A 64 0.224 -9.652 -4.176 1.00 0.00 C ATOM 943 C SER A 64 0.701 -11.058 -4.548 1.00 0.00 C ATOM 944 O SER A 64 0.104 -12.050 -4.133 1.00 0.00 O ATOM 945 CB SER A 64 0.640 -9.314 -2.742 1.00 0.00 C ATOM 946 OG SER A 64 2.002 -8.903 -2.664 1.00 0.00 O ATOM 0 H SER A 64 -1.730 -9.349 -3.484 1.00 0.00 H new ATOM 0 HA SER A 64 0.692 -8.927 -4.842 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.001 -8.521 -2.356 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.487 -10.185 -2.105 1.00 0.00 H new ATOM 0 HG SER A 64 2.228 -8.695 -1.733 1.00 0.00 H new ATOM 952 N LEU A 65 1.772 -11.098 -5.327 1.00 0.00 N ATOM 953 CA LEU A 65 2.336 -12.365 -5.760 1.00 0.00 C ATOM 954 C LEU A 65 3.368 -12.837 -4.733 1.00 0.00 C ATOM 955 O LEU A 65 4.230 -13.656 -5.048 1.00 0.00 O ATOM 956 CB LEU A 65 2.891 -12.248 -7.181 1.00 0.00 C ATOM 957 CG LEU A 65 1.908 -12.555 -8.313 1.00 0.00 C ATOM 958 CD1 LEU A 65 0.920 -11.402 -8.509 1.00 0.00 C ATOM 959 CD2 LEU A 65 2.650 -12.898 -9.606 1.00 0.00 C ATOM 0 H LEU A 65 2.264 -10.273 -5.670 1.00 0.00 H new ATOM 0 HA LEU A 65 1.561 -13.130 -5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.269 -11.235 -7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.743 -12.922 -7.274 1.00 0.00 H new ATOM 0 HG LEU A 65 1.327 -13.434 -8.032 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.233 -11.646 -9.319 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.356 -11.246 -7.589 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.467 -10.493 -8.758 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.928 -13.112 -10.394 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.272 -12.054 -9.903 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.279 -13.773 -9.443 1.00 0.00 H new ATOM 971 N ALA A 66 3.244 -12.300 -3.529 1.00 0.00 N ATOM 972 CA ALA A 66 4.156 -12.657 -2.455 1.00 0.00 C ATOM 973 C ALA A 66 3.365 -13.301 -1.314 1.00 0.00 C ATOM 974 O ALA A 66 3.829 -14.260 -0.697 1.00 0.00 O ATOM 975 CB ALA A 66 4.923 -11.413 -2.002 1.00 0.00 C ATOM 0 H ALA A 66 2.527 -11.621 -3.273 1.00 0.00 H new ATOM 0 HA ALA A 66 4.890 -13.385 -2.800 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.607 -11.681 -1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.490 -11.010 -2.841 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.219 -10.661 -1.645 1.00 0.00 H new ATOM 981 N THR A 67 2.187 -12.750 -1.067 1.00 0.00 N ATOM 982 CA THR A 67 1.328 -13.259 -0.011 1.00 0.00 C ATOM 983 C THR A 67 -0.079 -13.524 -0.550 1.00 0.00 C ATOM 984 O THR A 67 -1.026 -13.672 0.222 1.00 0.00 O ATOM 985 CB THR A 67 1.357 -12.258 1.146 1.00 0.00 C ATOM 986 OG1 THR A 67 1.350 -10.986 0.504 1.00 0.00 O ATOM 987 CG2 THR A 67 2.683 -12.283 1.908 1.00 0.00 C ATOM 0 H THR A 67 1.806 -11.955 -1.580 1.00 0.00 H new ATOM 0 HA THR A 67 1.686 -14.219 0.362 1.00 0.00 H new ATOM 0 HB THR A 67 0.539 -12.474 1.833 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.475 -10.833 0.091 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.651 -11.555 2.718 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.846 -13.278 2.321 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.498 -12.034 1.228 1.00 0.00 H new ATOM 995 N ARG A 68 -0.172 -13.576 -1.870 1.00 0.00 N ATOM 996 CA ARG A 68 -1.449 -13.821 -2.522 1.00 0.00 C ATOM 997 C ARG A 68 -2.537 -12.940 -1.903 1.00 0.00 C ATOM 998 O ARG A 68 -3.721 -13.268 -1.977 1.00 0.00 O ATOM 999 CB ARG A 68 -1.858 -15.289 -2.395 1.00 0.00 C ATOM 1000 CG ARG A 68 -2.198 -15.642 -0.946 1.00 0.00 C ATOM 1001 CD ARG A 68 -3.037 -16.919 -0.874 1.00 0.00 C ATOM 1002 NE ARG A 68 -2.248 -18.009 -0.259 1.00 0.00 N ATOM 1003 CZ ARG A 68 -1.382 -18.780 -0.928 1.00 0.00 C ATOM 1004 NH1 ARG A 68 -1.186 -18.587 -2.239 1.00 0.00 N ATOM 1005 NH2 ARG A 68 -0.709 -19.746 -0.287 1.00 0.00 N ATOM 0 H ARG A 68 0.615 -13.453 -2.507 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.336 -13.577 -3.578 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.720 -15.486 -3.033 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.048 -15.927 -2.748 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.279 -15.774 -0.375 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.743 -14.818 -0.486 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.940 -16.738 -0.290 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.357 -17.210 -1.874 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.372 -18.184 0.738 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.697 -17.852 -2.728 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.526 -19.175 -2.748 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.857 -19.894 0.711 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.049 -20.333 -0.798 1.00 0.00 H new ATOM 1019 N LYS A 69 -2.097 -11.840 -1.310 1.00 0.00 N ATOM 1020 CA LYS A 69 -3.020 -10.910 -0.680 1.00 0.00 C ATOM 1021 C LYS A 69 -3.914 -10.282 -1.751 1.00 0.00 C ATOM 1022 O LYS A 69 -3.689 -10.475 -2.944 1.00 0.00 O ATOM 1023 CB LYS A 69 -2.256 -9.886 0.162 1.00 0.00 C ATOM 1024 CG LYS A 69 -1.981 -10.426 1.566 1.00 0.00 C ATOM 1025 CD LYS A 69 -0.908 -9.596 2.272 1.00 0.00 C ATOM 1026 CE LYS A 69 -1.020 -9.732 3.793 1.00 0.00 C ATOM 1027 NZ LYS A 69 0.204 -9.224 4.451 1.00 0.00 N ATOM 0 H LYS A 69 -1.115 -11.572 -1.252 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.675 -11.435 0.015 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.314 -9.638 -0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.832 -8.963 0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.900 -10.412 2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.659 -11.465 1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.080 -9.920 1.946 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.009 -8.548 1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.888 -9.179 4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.176 -10.777 4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.111 -9.324 5.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.026 -9.770 4.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.336 -8.221 4.211 1.00 0.00 H new ATOM 1041 N GLU A 70 -4.911 -9.544 -1.285 1.00 0.00 N ATOM 1042 CA GLU A 70 -5.841 -8.886 -2.188 1.00 0.00 C ATOM 1043 C GLU A 70 -6.253 -7.525 -1.625 1.00 0.00 C ATOM 1044 O GLU A 70 -6.566 -7.408 -0.441 1.00 0.00 O ATOM 1045 CB GLU A 70 -7.064 -9.766 -2.450 1.00 0.00 C ATOM 1046 CG GLU A 70 -6.795 -10.754 -3.587 1.00 0.00 C ATOM 1047 CD GLU A 70 -7.842 -11.871 -3.600 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -7.628 -12.858 -2.864 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -8.832 -11.712 -4.347 1.00 0.00 O ATOM 0 H GLU A 70 -5.095 -9.387 -0.294 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.340 -8.725 -3.143 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.325 -10.312 -1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.920 -9.140 -2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.807 -10.228 -4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.800 -11.184 -3.472 1.00 0.00 H new ATOM 1056 N GLY A 71 -6.241 -6.530 -2.500 1.00 0.00 N ATOM 1057 CA GLY A 71 -6.610 -5.181 -2.105 1.00 0.00 C ATOM 1058 C GLY A 71 -6.288 -4.177 -3.213 1.00 0.00 C ATOM 1059 O GLY A 71 -5.560 -4.497 -4.153 1.00 0.00 O ATOM 0 H GLY A 71 -5.981 -6.631 -3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.675 -5.144 -1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.077 -4.906 -1.195 1.00 0.00 H new ATOM 1063 N TYR A 72 -6.846 -2.985 -3.068 1.00 0.00 N ATOM 1064 CA TYR A 72 -6.627 -1.932 -4.046 1.00 0.00 C ATOM 1065 C TYR A 72 -5.205 -1.375 -3.943 1.00 0.00 C ATOM 1066 O TYR A 72 -4.694 -1.169 -2.843 1.00 0.00 O ATOM 1067 CB TYR A 72 -7.623 -0.822 -3.701 1.00 0.00 C ATOM 1068 CG TYR A 72 -9.078 -1.171 -4.021 1.00 0.00 C ATOM 1069 CD1 TYR A 72 -9.411 -1.667 -5.265 1.00 0.00 C ATOM 1070 CD2 TYR A 72 -10.057 -0.990 -3.066 1.00 0.00 C ATOM 1071 CE1 TYR A 72 -10.780 -1.995 -5.567 1.00 0.00 C ATOM 1072 CE2 TYR A 72 -11.427 -1.318 -3.368 1.00 0.00 C ATOM 1073 CZ TYR A 72 -11.720 -1.803 -4.603 1.00 0.00 C ATOM 1074 OH TYR A 72 -13.013 -2.114 -4.889 1.00 0.00 O ATOM 0 H TYR A 72 -7.450 -2.724 -2.288 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.761 -2.314 -5.058 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.541 -0.591 -2.639 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.348 0.081 -4.246 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.644 -1.809 -6.012 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.796 -0.602 -2.092 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.054 -2.384 -6.536 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.203 -1.182 -2.630 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.575 -1.927 -4.108 1.00 0.00 H new ATOM 1084 N ILE A 73 -4.609 -1.146 -5.103 1.00 0.00 N ATOM 1085 CA ILE A 73 -3.257 -0.617 -5.158 1.00 0.00 C ATOM 1086 C ILE A 73 -3.209 0.545 -6.152 1.00 0.00 C ATOM 1087 O ILE A 73 -3.976 0.578 -7.112 1.00 0.00 O ATOM 1088 CB ILE A 73 -2.256 -1.733 -5.466 1.00 0.00 C ATOM 1089 CG1 ILE A 73 -2.663 -2.501 -6.726 1.00 0.00 C ATOM 1090 CG2 ILE A 73 -2.080 -2.659 -4.262 1.00 0.00 C ATOM 1091 CD1 ILE A 73 -1.554 -2.454 -7.778 1.00 0.00 C ATOM 0 H ILE A 73 -5.037 -1.317 -6.013 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.964 -0.218 -4.187 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.286 -1.277 -5.665 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.882 -3.537 -6.470 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.578 -2.074 -7.137 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.364 -3.443 -4.508 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.712 -2.085 -3.412 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.039 -3.110 -4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.868 -3.007 -8.663 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.354 -1.418 -8.050 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.648 -2.904 -7.372 1.00 0.00 H new ATOM 1103 N PRO A 74 -2.273 1.495 -5.881 1.00 0.00 N ATOM 1104 CA PRO A 74 -2.114 2.656 -6.741 1.00 0.00 C ATOM 1105 C PRO A 74 -1.405 2.280 -8.043 1.00 0.00 C ATOM 1106 O PRO A 74 -0.374 1.610 -8.022 1.00 0.00 O ATOM 1107 CB PRO A 74 -1.334 3.659 -5.907 1.00 0.00 C ATOM 1108 CG PRO A 74 -0.684 2.857 -4.790 1.00 0.00 C ATOM 1109 CD PRO A 74 -1.347 1.489 -4.753 1.00 0.00 C ATOM 0 HA PRO A 74 -3.067 3.079 -7.059 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.583 4.168 -6.510 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.993 4.428 -5.503 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.387 2.758 -4.965 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.805 3.366 -3.834 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.612 0.690 -4.849 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.871 1.329 -3.811 1.00 0.00 H new ATOM 1117 N SER A 75 -1.987 2.728 -9.146 1.00 0.00 N ATOM 1118 CA SER A 75 -1.422 2.448 -10.456 1.00 0.00 C ATOM 1119 C SER A 75 -0.198 3.332 -10.699 1.00 0.00 C ATOM 1120 O SER A 75 0.713 2.948 -11.431 1.00 0.00 O ATOM 1121 CB SER A 75 -2.460 2.662 -11.560 1.00 0.00 C ATOM 1122 OG SER A 75 -1.903 3.320 -12.695 1.00 0.00 O ATOM 0 H SER A 75 -2.843 3.282 -9.160 1.00 0.00 H new ATOM 0 HA SER A 75 -1.116 1.402 -10.480 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.870 1.699 -11.864 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.289 3.252 -11.169 1.00 0.00 H new ATOM 0 HG SER A 75 -2.208 2.875 -13.513 1.00 0.00 H new ATOM 1128 N ASN A 76 -0.216 4.498 -10.070 1.00 0.00 N ATOM 1129 CA ASN A 76 0.882 5.439 -10.209 1.00 0.00 C ATOM 1130 C ASN A 76 2.109 4.899 -9.472 1.00 0.00 C ATOM 1131 O ASN A 76 3.193 5.473 -9.559 1.00 0.00 O ATOM 1132 CB ASN A 76 0.525 6.796 -9.599 1.00 0.00 C ATOM 1133 CG ASN A 76 0.648 6.762 -8.074 1.00 0.00 C ATOM 1134 OD1 ASN A 76 0.664 5.714 -7.450 1.00 0.00 O ATOM 1135 ND2 ASN A 76 0.734 7.963 -7.511 1.00 0.00 N ATOM 0 H ASN A 76 -0.973 4.812 -9.463 1.00 0.00 H new ATOM 0 HA ASN A 76 1.086 5.563 -11.273 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.183 7.565 -10.003 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.493 7.068 -9.879 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.819 8.046 -6.498 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.715 8.801 -8.092 1.00 0.00 H new ATOM 1142 N TYR A 77 1.896 3.800 -8.762 1.00 0.00 N ATOM 1143 CA TYR A 77 2.972 3.174 -8.011 1.00 0.00 C ATOM 1144 C TYR A 77 3.312 1.798 -8.584 1.00 0.00 C ATOM 1145 O TYR A 77 4.092 1.052 -7.994 1.00 0.00 O ATOM 1146 CB TYR A 77 2.445 3.004 -6.585 1.00 0.00 C ATOM 1147 CG TYR A 77 3.066 3.967 -5.572 1.00 0.00 C ATOM 1148 CD1 TYR A 77 3.137 5.316 -5.857 1.00 0.00 C ATOM 1149 CD2 TYR A 77 3.555 3.489 -4.373 1.00 0.00 C ATOM 1150 CE1 TYR A 77 3.722 6.224 -4.904 1.00 0.00 C ATOM 1151 CE2 TYR A 77 4.140 4.396 -3.420 1.00 0.00 C ATOM 1152 CZ TYR A 77 4.195 5.718 -3.732 1.00 0.00 C ATOM 1153 OH TYR A 77 4.747 6.576 -2.832 1.00 0.00 O ATOM 0 H TYR A 77 0.995 3.327 -8.691 1.00 0.00 H new ATOM 0 HA TYR A 77 3.875 3.782 -8.054 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.364 3.145 -6.589 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.632 1.981 -6.259 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.754 5.691 -6.795 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.499 2.434 -4.150 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.784 7.282 -5.114 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.526 4.034 -2.479 1.00 0.00 H new ATOM 0 HH TYR A 77 4.451 7.490 -3.027 1.00 0.00 H new ATOM 1163 N VAL A 78 2.712 1.503 -9.727 1.00 0.00 N ATOM 1164 CA VAL A 78 2.943 0.229 -10.387 1.00 0.00 C ATOM 1165 C VAL A 78 3.270 0.474 -11.862 1.00 0.00 C ATOM 1166 O VAL A 78 3.099 1.584 -12.363 1.00 0.00 O ATOM 1167 CB VAL A 78 1.736 -0.690 -10.187 1.00 0.00 C ATOM 1168 CG1 VAL A 78 1.290 -0.699 -8.724 1.00 0.00 C ATOM 1169 CG2 VAL A 78 0.583 -0.289 -11.109 1.00 0.00 C ATOM 0 H VAL A 78 2.066 2.124 -10.214 1.00 0.00 H new ATOM 0 HA VAL A 78 3.800 -0.280 -9.945 1.00 0.00 H new ATOM 0 HB VAL A 78 2.039 -1.703 -10.451 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.431 -1.360 -8.610 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.107 -1.055 -8.097 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.014 0.311 -8.422 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.262 -0.958 -10.947 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.282 0.736 -10.891 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.907 -0.358 -12.148 1.00 0.00 H new ATOM 1179 N ALA A 79 3.735 -0.580 -12.515 1.00 0.00 N ATOM 1180 CA ALA A 79 4.087 -0.493 -13.922 1.00 0.00 C ATOM 1181 C ALA A 79 3.954 -1.876 -14.563 1.00 0.00 C ATOM 1182 O ALA A 79 4.722 -2.785 -14.252 1.00 0.00 O ATOM 1183 CB ALA A 79 5.498 0.080 -14.060 1.00 0.00 C ATOM 0 H ALA A 79 3.876 -1.499 -12.096 1.00 0.00 H new ATOM 0 HA ALA A 79 3.409 0.180 -14.447 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.763 0.145 -15.115 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.532 1.074 -13.615 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.207 -0.571 -13.548 1.00 0.00 H new ATOM 1189 N ARG A 80 2.973 -1.991 -15.447 1.00 0.00 N ATOM 1190 CA ARG A 80 2.730 -3.248 -16.135 1.00 0.00 C ATOM 1191 C ARG A 80 4.056 -3.910 -16.516 1.00 0.00 C ATOM 1192 O ARG A 80 4.986 -3.237 -16.957 1.00 0.00 O ATOM 1193 CB ARG A 80 1.895 -3.031 -17.398 1.00 0.00 C ATOM 1194 CG ARG A 80 0.418 -3.336 -17.139 1.00 0.00 C ATOM 1195 CD ARG A 80 -0.217 -4.034 -18.343 1.00 0.00 C ATOM 1196 NE ARG A 80 -1.302 -3.194 -18.899 1.00 0.00 N ATOM 1197 CZ ARG A 80 -2.010 -3.509 -19.992 1.00 0.00 C ATOM 1198 NH1 ARG A 80 -1.752 -4.645 -20.654 1.00 0.00 N ATOM 1199 NH2 ARG A 80 -2.976 -2.688 -20.425 1.00 0.00 N ATOM 0 H ARG A 80 2.338 -1.235 -15.702 1.00 0.00 H new ATOM 0 HA ARG A 80 2.178 -3.897 -15.455 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.003 -2.001 -17.737 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.267 -3.671 -18.198 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.323 -3.968 -16.256 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.117 -2.410 -16.927 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.538 -4.220 -19.107 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.613 -5.004 -18.044 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.524 -2.321 -18.420 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.016 -5.271 -20.326 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.291 -4.884 -21.486 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.173 -1.822 -19.923 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.515 -2.928 -21.257 1.00 0.00 H new ATOM 1213 N VAL A 81 4.100 -5.221 -16.331 1.00 0.00 N ATOM 1214 CA VAL A 81 5.297 -5.982 -16.649 1.00 0.00 C ATOM 1215 C VAL A 81 5.599 -5.847 -18.143 1.00 0.00 C ATOM 1216 O VAL A 81 6.761 -5.840 -18.546 1.00 0.00 O ATOM 1217 CB VAL A 81 5.126 -7.436 -16.202 1.00 0.00 C ATOM 1218 CG1 VAL A 81 4.667 -8.317 -17.366 1.00 0.00 C ATOM 1219 CG2 VAL A 81 6.418 -7.974 -15.584 1.00 0.00 C ATOM 0 H VAL A 81 3.326 -5.776 -15.965 1.00 0.00 H new ATOM 0 HA VAL A 81 6.157 -5.588 -16.107 1.00 0.00 H new ATOM 0 HB VAL A 81 4.351 -7.463 -15.436 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.553 -9.345 -17.022 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.711 -7.953 -17.743 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.409 -8.282 -18.164 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.270 -9.009 -15.275 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.221 -7.927 -16.320 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.685 -7.371 -14.716 1.00 0.00 H new ATOM 1229 N ASP A 82 4.533 -5.744 -18.923 1.00 0.00 N ATOM 1230 CA ASP A 82 4.670 -5.609 -20.363 1.00 0.00 C ATOM 1231 C ASP A 82 4.816 -4.129 -20.721 1.00 0.00 C ATOM 1232 O ASP A 82 4.729 -3.758 -21.891 1.00 0.00 O ATOM 1233 CB ASP A 82 3.436 -6.151 -21.087 1.00 0.00 C ATOM 1234 CG ASP A 82 3.718 -6.827 -22.430 1.00 0.00 C ATOM 1235 OD1 ASP A 82 4.821 -7.400 -22.556 1.00 0.00 O ATOM 1236 OD2 ASP A 82 2.823 -6.754 -23.301 1.00 0.00 O ATOM 0 H ASP A 82 3.571 -5.751 -18.585 1.00 0.00 H new ATOM 0 HA ASP A 82 5.548 -6.176 -20.672 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.936 -6.867 -20.435 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.739 -5.329 -21.251 1.00 0.00 H new ATOM 1241 N SER A 83 5.036 -3.323 -19.694 1.00 0.00 N ATOM 1242 CA SER A 83 5.196 -1.891 -19.885 1.00 0.00 C ATOM 1243 C SER A 83 6.575 -1.448 -19.391 1.00 0.00 C ATOM 1244 O SER A 83 6.745 -0.311 -18.954 1.00 0.00 O ATOM 1245 CB SER A 83 4.097 -1.113 -19.159 1.00 0.00 C ATOM 1246 OG SER A 83 4.158 0.283 -19.440 1.00 0.00 O ATOM 0 H SER A 83 5.107 -3.634 -18.725 1.00 0.00 H new ATOM 0 HA SER A 83 5.113 -1.676 -20.950 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.122 -1.500 -19.455 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.190 -1.271 -18.085 1.00 0.00 H new ATOM 0 HG SER A 83 5.088 0.587 -19.388 1.00 0.00 H new ATOM 1378 N PRO B 124 -6.601 11.042 -5.202 1.00 0.00 N ATOM 1379 CA PRO B 124 -5.896 11.443 -6.408 1.00 0.00 C ATOM 1380 C PRO B 124 -4.496 10.829 -6.455 1.00 0.00 C ATOM 1381 O PRO B 124 -3.507 11.542 -6.615 1.00 0.00 O ATOM 1382 CB PRO B 124 -5.877 12.962 -6.365 1.00 0.00 C ATOM 1383 CG PRO B 124 -6.157 13.342 -4.920 1.00 0.00 C ATOM 1384 CD PRO B 124 -6.679 12.107 -4.205 1.00 0.00 C ATOM 0 HA PRO B 124 -6.382 11.089 -7.317 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -4.912 13.350 -6.691 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.630 13.381 -7.032 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.250 13.706 -4.439 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.889 14.148 -4.872 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -6.076 11.873 -3.327 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -7.703 12.252 -3.860 1.00 0.00 H new ATOM 1392 N LEU B 125 -4.458 9.512 -6.311 1.00 0.00 N ATOM 1393 CA LEU B 125 -3.195 8.794 -6.334 1.00 0.00 C ATOM 1394 C LEU B 125 -2.303 9.300 -5.198 1.00 0.00 C ATOM 1395 O LEU B 125 -2.391 10.462 -4.808 1.00 0.00 O ATOM 1396 CB LEU B 125 -2.547 8.895 -7.717 1.00 0.00 C ATOM 1397 CG LEU B 125 -3.124 7.977 -8.797 1.00 0.00 C ATOM 1398 CD1 LEU B 125 -2.757 8.479 -10.195 1.00 0.00 C ATOM 1399 CD2 LEU B 125 -2.688 6.528 -8.575 1.00 0.00 C ATOM 0 H LEU B 125 -5.281 8.924 -6.178 1.00 0.00 H new ATOM 0 HA LEU B 125 -3.359 7.730 -6.160 1.00 0.00 H new ATOM 0 HB2 LEU B 125 -2.631 9.926 -8.061 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -1.484 8.679 -7.615 1.00 0.00 H new ATOM 0 HG LEU B 125 -4.211 8.001 -8.721 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -3.179 7.809 -10.944 1.00 0.00 H new ATOM 0 HD12 LEU B 125 -3.158 9.482 -10.338 1.00 0.00 H new ATOM 0 HD13 LEU B 125 -1.672 8.503 -10.300 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -3.112 5.897 -9.356 1.00 0.00 H new ATOM 0 HD22 LEU B 125 -1.600 6.466 -8.609 1.00 0.00 H new ATOM 0 HD23 LEU B 125 -3.041 6.187 -7.602 1.00 0.00 H new ATOM 1411 N PRO B 126 -1.445 8.377 -4.687 1.00 0.00 N ATOM 1412 CA PRO B 126 -0.538 8.719 -3.604 1.00 0.00 C ATOM 1413 C PRO B 126 0.626 9.572 -4.112 1.00 0.00 C ATOM 1414 O PRO B 126 0.843 9.677 -5.318 1.00 0.00 O ATOM 1415 CB PRO B 126 -0.091 7.383 -3.031 1.00 0.00 C ATOM 1416 CG PRO B 126 -0.392 6.348 -4.102 1.00 0.00 C ATOM 1417 CD PRO B 126 -1.314 6.991 -5.125 1.00 0.00 C ATOM 0 HA PRO B 126 -1.011 9.330 -2.835 1.00 0.00 H new ATOM 0 HB2 PRO B 126 0.972 7.398 -2.790 1.00 0.00 H new ATOM 0 HB3 PRO B 126 -0.624 7.156 -2.108 1.00 0.00 H new ATOM 0 HG2 PRO B 126 0.529 6.011 -4.577 1.00 0.00 H new ATOM 0 HG3 PRO B 126 -0.864 5.469 -3.662 1.00 0.00 H new ATOM 0 HD2 PRO B 126 -0.894 6.931 -6.129 1.00 0.00 H new ATOM 0 HD3 PRO B 126 -2.283 6.492 -5.154 1.00 0.00 H new ATOM 1425 N PRO B 127 1.363 10.175 -3.140 1.00 0.00 N ATOM 1426 CA PRO B 127 2.499 11.016 -3.476 1.00 0.00 C ATOM 1427 C PRO B 127 3.698 10.170 -3.909 1.00 0.00 C ATOM 1428 O PRO B 127 4.170 9.322 -3.152 1.00 0.00 O ATOM 1429 CB PRO B 127 2.769 11.831 -2.223 1.00 0.00 C ATOM 1430 CG PRO B 127 2.079 11.092 -1.088 1.00 0.00 C ATOM 1431 CD PRO B 127 1.134 10.073 -1.702 1.00 0.00 C ATOM 0 HA PRO B 127 2.302 11.670 -4.325 1.00 0.00 H new ATOM 0 HB2 PRO B 127 3.840 11.919 -2.038 1.00 0.00 H new ATOM 0 HB3 PRO B 127 2.378 12.844 -2.324 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.813 10.597 -0.453 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.530 11.790 -0.456 1.00 0.00 H new ATOM 0 HD2 PRO B 127 1.345 9.068 -1.338 1.00 0.00 H new ATOM 0 HD3 PRO B 127 0.097 10.292 -1.450 1.00 0.00 H new ATOM 1439 N LEU B 128 4.157 10.430 -5.125 1.00 0.00 N ATOM 1440 CA LEU B 128 5.292 9.702 -5.667 1.00 0.00 C ATOM 1441 C LEU B 128 6.521 9.959 -4.793 1.00 0.00 C ATOM 1442 O LEU B 128 6.824 11.105 -4.464 1.00 0.00 O ATOM 1443 CB LEU B 128 5.500 10.056 -7.141 1.00 0.00 C ATOM 1444 CG LEU B 128 4.645 9.278 -8.144 1.00 0.00 C ATOM 1445 CD1 LEU B 128 5.068 9.588 -9.581 1.00 0.00 C ATOM 1446 CD2 LEU B 128 4.679 7.778 -7.848 1.00 0.00 C ATOM 0 H LEU B 128 3.764 11.134 -5.750 1.00 0.00 H new ATOM 0 HA LEU B 128 5.103 8.629 -5.644 1.00 0.00 H new ATOM 0 HB2 LEU B 128 5.300 11.120 -7.271 1.00 0.00 H new ATOM 0 HB3 LEU B 128 6.550 9.897 -7.388 1.00 0.00 H new ATOM 0 HG LEU B 128 3.611 9.604 -8.035 1.00 0.00 H new ATOM 0 HD11 LEU B 128 4.445 9.022 -10.274 1.00 0.00 H new ATOM 0 HD12 LEU B 128 4.949 10.654 -9.773 1.00 0.00 H new ATOM 0 HD13 LEU B 128 6.112 9.309 -9.721 1.00 0.00 H new ATOM 0 HD21 LEU B 128 4.063 7.249 -8.576 1.00 0.00 H new ATOM 0 HD22 LEU B 128 5.706 7.418 -7.912 1.00 0.00 H new ATOM 0 HD23 LEU B 128 4.292 7.596 -6.845 1.00 0.00 H new ATOM 1458 N PRO B 129 7.214 8.846 -4.434 1.00 0.00 N ATOM 1459 CA PRO B 129 8.404 8.939 -3.605 1.00 0.00 C ATOM 1460 C PRO B 129 9.595 9.462 -4.412 1.00 0.00 C ATOM 1461 O PRO B 129 9.421 9.986 -5.511 1.00 0.00 O ATOM 1462 CB PRO B 129 8.622 7.535 -3.068 1.00 0.00 C ATOM 1463 CG PRO B 129 7.827 6.613 -3.978 1.00 0.00 C ATOM 1464 CD PRO B 129 6.884 7.473 -4.806 1.00 0.00 C ATOM 0 HA PRO B 129 8.291 9.650 -2.787 1.00 0.00 H new ATOM 0 HB2 PRO B 129 9.680 7.274 -3.076 1.00 0.00 H new ATOM 0 HB3 PRO B 129 8.281 7.454 -2.036 1.00 0.00 H new ATOM 0 HG2 PRO B 129 8.496 6.047 -4.626 1.00 0.00 H new ATOM 0 HG3 PRO B 129 7.265 5.888 -3.390 1.00 0.00 H new ATOM 0 HD2 PRO B 129 7.029 7.306 -5.873 1.00 0.00 H new ATOM 0 HD3 PRO B 129 5.842 7.243 -4.586 1.00 0.00 H new