USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 653 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 101 ASN : amide:sc= 0.121 K(o=-0.67,f=-1.6) USER MOD Set 1.2: A 108 HIS : no HD1:sc= -0.795 K(o=-0.67,f=-1.7!) USER MOD Set 2.1: A 81 ASN :FLIP amide:sc= -0.181 F(o=-2.4!,f=-0.16) USER MOD Set 2.2: A 85 THR OG1 : rot -89:sc= 0.017 USER MOD Set 3.1: A 72 CYS SG : rot 40:sc= 0.00308 USER MOD Set 3.2: A 98 TYR OH : rot -144:sc= 0.472 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.0076) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= -0.899 (180deg=-0.955) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.961 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 27:sc= 0.244 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot -19:sc= 0.0749 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 151:sc= -0.0243 (180deg=-0.897) USER MOD Single : A 112 SER OG : rot -156:sc= 0.309 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 362 N PRO A 29 3.317 19.533 -1.062 1.00 0.00 N ATOM 363 CA PRO A 29 2.621 18.246 -1.144 1.00 0.00 C ATOM 364 C PRO A 29 1.167 18.343 -0.696 1.00 0.00 C ATOM 365 O PRO A 29 0.882 18.491 0.492 1.00 0.00 O ATOM 366 CB PRO A 29 3.416 17.352 -0.188 1.00 0.00 C ATOM 367 CG PRO A 29 4.040 18.295 0.782 1.00 0.00 C ATOM 368 CD PRO A 29 4.327 19.553 0.010 1.00 0.00 C ATOM 0 HA PRO A 29 2.579 17.870 -2.166 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.767 16.637 0.317 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.172 16.775 -0.721 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.370 18.495 1.618 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.955 17.876 1.200 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.231 20.440 0.636 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.340 19.555 -0.392 1.00 0.00 H new ATOM 376 N ASP A 30 0.251 18.259 -1.655 1.00 0.00 N ATOM 377 CA ASP A 30 -1.175 18.336 -1.359 1.00 0.00 C ATOM 378 C ASP A 30 -1.819 16.955 -1.425 1.00 0.00 C ATOM 379 O ASP A 30 -2.228 16.483 -2.486 1.00 0.00 O ATOM 380 CB ASP A 30 -1.870 19.284 -2.337 1.00 0.00 C ATOM 381 CG ASP A 30 -1.812 20.729 -1.884 1.00 0.00 C ATOM 382 OD1 ASP A 30 -2.243 21.012 -0.746 1.00 0.00 O ATOM 383 OD2 ASP A 30 -1.334 21.577 -2.666 1.00 0.00 O ATOM 0 H ASP A 30 0.471 18.138 -2.644 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.290 18.723 -0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.403 19.195 -3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.912 18.984 -2.451 1.00 0.00 H new ATOM 388 N PRO A 31 -1.911 16.288 -0.264 1.00 0.00 N ATOM 389 CA PRO A 31 -2.504 14.951 -0.164 1.00 0.00 C ATOM 390 C PRO A 31 -4.013 14.968 -0.387 1.00 0.00 C ATOM 391 O PRO A 31 -4.564 14.074 -1.029 1.00 0.00 O ATOM 392 CB PRO A 31 -2.181 14.527 1.271 1.00 0.00 C ATOM 393 CG PRO A 31 -2.024 15.806 2.019 1.00 0.00 C ATOM 394 CD PRO A 31 -1.445 16.789 1.040 1.00 0.00 C ATOM 0 HA PRO A 31 -2.112 14.273 -0.922 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.980 13.917 1.693 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.270 13.930 1.312 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.983 16.155 2.401 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.366 15.677 2.878 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.799 17.802 1.231 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.357 16.816 1.094 1.00 0.00 H new ATOM 402 N SER A 32 -4.674 15.990 0.146 1.00 0.00 N ATOM 403 CA SER A 32 -6.120 16.121 0.007 1.00 0.00 C ATOM 404 C SER A 32 -6.543 15.956 -1.449 1.00 0.00 C ATOM 405 O SER A 32 -7.685 15.602 -1.741 1.00 0.00 O ATOM 406 CB SER A 32 -6.583 17.480 0.534 1.00 0.00 C ATOM 407 OG SER A 32 -6.436 17.558 1.942 1.00 0.00 O ATOM 0 H SER A 32 -4.232 16.739 0.678 1.00 0.00 H new ATOM 0 HA SER A 32 -6.590 15.332 0.595 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.005 18.273 0.060 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.627 17.642 0.265 1.00 0.00 H new ATOM 0 HG SER A 32 -6.737 18.437 2.254 1.00 0.00 H new ATOM 413 N LYS A 33 -5.613 16.217 -2.362 1.00 0.00 N ATOM 414 CA LYS A 33 -5.886 16.098 -3.789 1.00 0.00 C ATOM 415 C LYS A 33 -5.737 14.652 -4.253 1.00 0.00 C ATOM 416 O LYS A 33 -6.517 14.170 -5.075 1.00 0.00 O ATOM 417 CB LYS A 33 -4.942 17.000 -4.587 1.00 0.00 C ATOM 418 CG LYS A 33 -5.127 18.480 -4.299 1.00 0.00 C ATOM 419 CD LYS A 33 -6.365 19.032 -4.986 1.00 0.00 C ATOM 420 CE LYS A 33 -6.156 19.168 -6.486 1.00 0.00 C ATOM 421 NZ LYS A 33 -7.056 20.194 -7.081 1.00 0.00 N ATOM 0 H LYS A 33 -4.663 16.513 -2.138 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.915 16.413 -3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.912 16.721 -4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.097 16.823 -5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.207 18.635 -3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.248 19.030 -4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.213 18.374 -4.794 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.614 20.005 -4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.118 19.436 -6.685 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.335 18.206 -6.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.883 20.256 -8.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.047 19.926 -6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.868 21.118 -6.641 1.00 0.00 H new ATOM 435 N VAL A 34 -4.733 13.965 -3.719 1.00 0.00 N ATOM 436 CA VAL A 34 -4.484 12.573 -4.076 1.00 0.00 C ATOM 437 C VAL A 34 -5.787 11.788 -4.169 1.00 0.00 C ATOM 438 O VAL A 34 -6.485 11.600 -3.173 1.00 0.00 O ATOM 439 CB VAL A 34 -3.557 11.889 -3.053 1.00 0.00 C ATOM 440 CG1 VAL A 34 -3.373 10.419 -3.400 1.00 0.00 C ATOM 441 CG2 VAL A 34 -2.215 12.602 -2.990 1.00 0.00 C ATOM 0 H VAL A 34 -4.078 14.349 -3.038 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.996 12.578 -5.051 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.022 11.951 -2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.715 9.952 -2.667 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.341 9.919 -3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.930 10.332 -4.392 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.573 12.105 -2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.741 12.573 -3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.368 13.639 -2.691 1.00 0.00 H new ATOM 451 N LYS A 35 -6.111 11.331 -5.374 1.00 0.00 N ATOM 452 CA LYS A 35 -7.330 10.564 -5.600 1.00 0.00 C ATOM 453 C LYS A 35 -7.004 9.151 -6.072 1.00 0.00 C ATOM 454 O LYS A 35 -6.303 8.964 -7.066 1.00 0.00 O ATOM 455 CB LYS A 35 -8.215 11.266 -6.633 1.00 0.00 C ATOM 456 CG LYS A 35 -9.204 12.244 -6.022 1.00 0.00 C ATOM 457 CD LYS A 35 -10.540 11.580 -5.734 1.00 0.00 C ATOM 458 CE LYS A 35 -10.585 11.006 -4.326 1.00 0.00 C ATOM 459 NZ LYS A 35 -11.886 10.340 -4.040 1.00 0.00 N ATOM 0 H LYS A 35 -5.545 11.479 -6.210 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.868 10.498 -4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.580 11.799 -7.341 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.764 10.514 -7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.792 12.650 -5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.353 13.084 -6.701 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.343 12.307 -5.858 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.716 10.785 -6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.774 10.288 -4.200 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.419 11.804 -3.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.877 9.962 -3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.658 11.031 -4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.033 9.562 -4.714 1.00 0.00 H new ATOM 473 N ALA A 36 -7.518 8.159 -5.352 1.00 0.00 N ATOM 474 CA ALA A 36 -7.285 6.762 -5.700 1.00 0.00 C ATOM 475 C ALA A 36 -8.558 6.106 -6.221 1.00 0.00 C ATOM 476 O ALA A 36 -9.538 5.960 -5.489 1.00 0.00 O ATOM 477 CB ALA A 36 -6.750 6.001 -4.496 1.00 0.00 C ATOM 0 H ALA A 36 -8.098 8.297 -4.524 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.541 6.730 -6.496 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.581 4.960 -4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.811 6.448 -4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.475 6.049 -3.684 1.00 0.00 H new ATOM 483 N HIS A 37 -8.539 5.712 -7.490 1.00 0.00 N ATOM 484 CA HIS A 37 -9.693 5.070 -8.109 1.00 0.00 C ATOM 485 C HIS A 37 -9.262 3.882 -8.963 1.00 0.00 C ATOM 486 O HIS A 37 -8.396 4.008 -9.828 1.00 0.00 O ATOM 487 CB HIS A 37 -10.464 6.075 -8.966 1.00 0.00 C ATOM 488 CG HIS A 37 -9.580 6.959 -9.792 1.00 0.00 C ATOM 489 ND1 HIS A 37 -9.330 6.735 -11.129 1.00 0.00 N ATOM 490 CD2 HIS A 37 -8.888 8.075 -9.463 1.00 0.00 C ATOM 491 CE1 HIS A 37 -8.521 7.674 -11.587 1.00 0.00 C ATOM 492 NE2 HIS A 37 -8.238 8.499 -10.596 1.00 0.00 N ATOM 0 H HIS A 37 -7.737 5.826 -8.110 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.344 4.706 -7.314 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.141 5.533 -9.626 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.081 6.696 -8.317 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -8.854 8.544 -8.491 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -8.154 7.753 -12.600 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -7.634 9.319 -10.661 1.00 0.00 H new ATOM 501 N GLY A 38 -9.871 2.726 -8.712 1.00 0.00 N ATOM 502 CA GLY A 38 -9.535 1.532 -9.465 1.00 0.00 C ATOM 503 C GLY A 38 -10.167 0.283 -8.884 1.00 0.00 C ATOM 504 O GLY A 38 -10.807 0.317 -7.832 1.00 0.00 O ATOM 0 H GLY A 38 -10.591 2.596 -8.001 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.861 1.654 -10.498 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.452 1.412 -9.485 1.00 0.00 H new ATOM 508 N PRO A 39 -9.992 -0.851 -9.577 1.00 0.00 N ATOM 509 CA PRO A 39 -10.544 -2.138 -9.143 1.00 0.00 C ATOM 510 C PRO A 39 -9.848 -2.676 -7.897 1.00 0.00 C ATOM 511 O PRO A 39 -10.495 -3.183 -6.983 1.00 0.00 O ATOM 512 CB PRO A 39 -10.285 -3.057 -10.339 1.00 0.00 C ATOM 513 CG PRO A 39 -9.117 -2.451 -11.037 1.00 0.00 C ATOM 514 CD PRO A 39 -9.241 -0.966 -10.839 1.00 0.00 C ATOM 0 HA PRO A 39 -11.596 -2.059 -8.869 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.068 -4.075 -10.016 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.155 -3.109 -10.994 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.179 -2.823 -10.624 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.121 -2.705 -12.097 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.264 -0.487 -10.770 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.771 -0.493 -11.666 1.00 0.00 H new ATOM 522 N GLY A 40 -8.523 -2.562 -7.869 1.00 0.00 N ATOM 523 CA GLY A 40 -7.761 -3.041 -6.731 1.00 0.00 C ATOM 524 C GLY A 40 -8.266 -2.478 -5.417 1.00 0.00 C ATOM 525 O GLY A 40 -7.965 -3.011 -4.348 1.00 0.00 O ATOM 0 H GLY A 40 -7.964 -2.146 -8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.808 -4.130 -6.698 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.713 -2.771 -6.860 1.00 0.00 H new ATOM 529 N LEU A 41 -9.034 -1.397 -5.495 1.00 0.00 N ATOM 530 CA LEU A 41 -9.580 -0.760 -4.302 1.00 0.00 C ATOM 531 C LEU A 41 -10.879 -1.434 -3.870 1.00 0.00 C ATOM 532 O LEU A 41 -11.103 -1.666 -2.682 1.00 0.00 O ATOM 533 CB LEU A 41 -9.827 0.727 -4.562 1.00 0.00 C ATOM 534 CG LEU A 41 -8.647 1.513 -5.135 1.00 0.00 C ATOM 535 CD1 LEU A 41 -9.059 2.943 -5.448 1.00 0.00 C ATOM 536 CD2 LEU A 41 -7.473 1.494 -4.168 1.00 0.00 C ATOM 0 H LEU A 41 -9.293 -0.944 -6.371 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.852 -0.867 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.668 0.820 -5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.128 1.194 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.335 1.035 -6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.206 3.487 -5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.868 2.937 -6.179 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.399 3.432 -4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.643 2.058 -4.593 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.773 1.946 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.161 0.464 -3.995 1.00 0.00 H new ATOM 548 N GLU A 42 -11.728 -1.748 -4.843 1.00 0.00 N ATOM 549 CA GLU A 42 -13.003 -2.397 -4.562 1.00 0.00 C ATOM 550 C GLU A 42 -12.796 -3.859 -4.175 1.00 0.00 C ATOM 551 O GLU A 42 -13.564 -4.421 -3.396 1.00 0.00 O ATOM 552 CB GLU A 42 -13.926 -2.307 -5.780 1.00 0.00 C ATOM 553 CG GLU A 42 -13.726 -3.433 -6.780 1.00 0.00 C ATOM 554 CD GLU A 42 -14.567 -3.260 -8.029 1.00 0.00 C ATOM 555 OE1 GLU A 42 -15.724 -3.731 -8.035 1.00 0.00 O ATOM 556 OE2 GLU A 42 -14.069 -2.653 -9.001 1.00 0.00 O ATOM 0 H GLU A 42 -11.556 -1.564 -5.831 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.468 -1.879 -3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.962 -2.313 -5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.760 -1.353 -6.281 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.674 -3.483 -7.059 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.976 -4.383 -6.307 1.00 0.00 H new ATOM 563 N GLY A 43 -11.751 -4.469 -4.727 1.00 0.00 N ATOM 564 CA GLY A 43 -11.461 -5.859 -4.428 1.00 0.00 C ATOM 565 C GLY A 43 -10.726 -6.553 -5.557 1.00 0.00 C ATOM 566 O GLY A 43 -10.178 -5.900 -6.444 1.00 0.00 O ATOM 0 H GLY A 43 -11.101 -4.025 -5.376 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.861 -5.915 -3.520 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.393 -6.387 -4.227 1.00 0.00 H new ATOM 570 N GLY A 44 -10.712 -7.883 -5.524 1.00 0.00 N ATOM 571 CA GLY A 44 -10.033 -8.643 -6.557 1.00 0.00 C ATOM 572 C GLY A 44 -10.232 -10.138 -6.400 1.00 0.00 C ATOM 573 O GLY A 44 -11.312 -10.592 -6.021 1.00 0.00 O ATOM 0 H GLY A 44 -11.159 -8.447 -4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.400 -8.331 -7.535 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.967 -8.416 -6.530 1.00 0.00 H new ATOM 577 N LEU A 45 -9.188 -10.906 -6.695 1.00 0.00 N ATOM 578 CA LEU A 45 -9.252 -12.359 -6.586 1.00 0.00 C ATOM 579 C LEU A 45 -7.988 -12.913 -5.937 1.00 0.00 C ATOM 580 O LEU A 45 -6.899 -12.366 -6.108 1.00 0.00 O ATOM 581 CB LEU A 45 -9.446 -12.985 -7.969 1.00 0.00 C ATOM 582 CG LEU A 45 -10.814 -12.769 -8.618 1.00 0.00 C ATOM 583 CD1 LEU A 45 -10.750 -13.065 -10.108 1.00 0.00 C ATOM 584 CD2 LEU A 45 -11.867 -13.637 -7.944 1.00 0.00 C ATOM 0 H LEU A 45 -8.288 -10.546 -7.011 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.103 -12.615 -5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.682 -12.586 -8.637 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.270 -14.058 -7.888 1.00 0.00 H new ATOM 0 HG LEU A 45 -11.096 -11.724 -8.488 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.732 -12.906 -10.553 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.026 -12.401 -10.580 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.446 -14.101 -10.261 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.834 -13.470 -8.419 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.591 -14.687 -8.042 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.932 -13.376 -6.888 1.00 0.00 H new ATOM 596 N VAL A 46 -8.141 -14.004 -5.194 1.00 0.00 N ATOM 597 CA VAL A 46 -7.011 -14.635 -4.521 1.00 0.00 C ATOM 598 C VAL A 46 -6.036 -15.234 -5.529 1.00 0.00 C ATOM 599 O VAL A 46 -6.440 -15.915 -6.471 1.00 0.00 O ATOM 600 CB VAL A 46 -7.479 -15.741 -3.557 1.00 0.00 C ATOM 601 CG1 VAL A 46 -6.287 -16.381 -2.860 1.00 0.00 C ATOM 602 CG2 VAL A 46 -8.463 -15.181 -2.542 1.00 0.00 C ATOM 0 H VAL A 46 -9.036 -14.470 -5.043 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.506 -13.855 -3.951 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.988 -16.512 -4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.637 -17.160 -2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.622 -16.819 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.747 -15.623 -2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.783 -15.976 -1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.982 -14.390 -1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.330 -14.775 -3.062 1.00 0.00 H new ATOM 612 N GLY A 47 -4.748 -14.974 -5.325 1.00 0.00 N ATOM 613 CA GLY A 47 -3.735 -15.495 -6.223 1.00 0.00 C ATOM 614 C GLY A 47 -3.631 -14.695 -7.507 1.00 0.00 C ATOM 615 O GLY A 47 -2.683 -14.858 -8.274 1.00 0.00 O ATOM 0 H GLY A 47 -4.389 -14.412 -4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.769 -15.492 -5.717 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.966 -16.533 -6.463 1.00 0.00 H new ATOM 619 N LYS A 48 -4.611 -13.828 -7.742 1.00 0.00 N ATOM 620 CA LYS A 48 -4.627 -12.999 -8.941 1.00 0.00 C ATOM 621 C LYS A 48 -4.141 -11.587 -8.633 1.00 0.00 C ATOM 622 O LYS A 48 -4.329 -11.065 -7.534 1.00 0.00 O ATOM 623 CB LYS A 48 -6.039 -12.947 -9.530 1.00 0.00 C ATOM 624 CG LYS A 48 -6.319 -14.049 -10.537 1.00 0.00 C ATOM 625 CD LYS A 48 -7.394 -13.638 -11.529 1.00 0.00 C ATOM 626 CE LYS A 48 -7.554 -14.668 -12.637 1.00 0.00 C ATOM 627 NZ LYS A 48 -8.217 -14.091 -13.839 1.00 0.00 N ATOM 0 H LYS A 48 -5.404 -13.682 -7.118 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.951 -13.445 -9.671 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.764 -13.014 -8.719 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.188 -11.980 -10.011 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.402 -14.294 -11.073 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.633 -14.951 -10.012 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.343 -13.513 -11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.139 -12.671 -11.964 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.575 -15.058 -12.914 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.140 -15.510 -12.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.308 -14.824 -14.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.162 -13.742 -13.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.645 -13.304 -14.206 1.00 0.00 H new ATOM 641 N PRO A 49 -3.501 -10.951 -9.626 1.00 0.00 N ATOM 642 CA PRO A 49 -2.976 -9.589 -9.484 1.00 0.00 C ATOM 643 C PRO A 49 -4.085 -8.546 -9.400 1.00 0.00 C ATOM 644 O PRO A 49 -5.117 -8.669 -10.059 1.00 0.00 O ATOM 645 CB PRO A 49 -2.153 -9.392 -10.760 1.00 0.00 C ATOM 646 CG PRO A 49 -2.761 -10.324 -11.751 1.00 0.00 C ATOM 647 CD PRO A 49 -3.240 -11.511 -10.962 1.00 0.00 C ATOM 0 HA PRO A 49 -2.401 -9.467 -8.566 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.201 -8.360 -11.106 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.101 -9.624 -10.592 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.587 -9.848 -12.279 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.032 -10.624 -12.503 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.139 -11.946 -11.398 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.489 -12.300 -10.927 1.00 0.00 H new ATOM 655 N ALA A 50 -3.865 -7.520 -8.584 1.00 0.00 N ATOM 656 CA ALA A 50 -4.846 -6.455 -8.415 1.00 0.00 C ATOM 657 C ALA A 50 -4.162 -5.103 -8.239 1.00 0.00 C ATOM 658 O ALA A 50 -3.328 -4.931 -7.351 1.00 0.00 O ATOM 659 CB ALA A 50 -5.748 -6.752 -7.227 1.00 0.00 C ATOM 0 H ALA A 50 -3.016 -7.404 -8.030 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.456 -6.409 -9.317 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.476 -5.948 -7.113 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.271 -7.694 -7.394 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.145 -6.827 -6.322 1.00 0.00 H new ATOM 665 N GLU A 51 -4.522 -4.148 -9.090 1.00 0.00 N ATOM 666 CA GLU A 51 -3.941 -2.812 -9.028 1.00 0.00 C ATOM 667 C GLU A 51 -5.016 -1.742 -9.203 1.00 0.00 C ATOM 668 O GLU A 51 -6.171 -2.050 -9.496 1.00 0.00 O ATOM 669 CB GLU A 51 -2.864 -2.649 -10.103 1.00 0.00 C ATOM 670 CG GLU A 51 -3.228 -3.290 -11.431 1.00 0.00 C ATOM 671 CD GLU A 51 -4.029 -2.365 -12.326 1.00 0.00 C ATOM 672 OE1 GLU A 51 -3.445 -1.389 -12.842 1.00 0.00 O ATOM 673 OE2 GLU A 51 -5.238 -2.616 -12.510 1.00 0.00 O ATOM 0 H GLU A 51 -5.213 -4.274 -9.830 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.485 -2.688 -8.046 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.678 -1.587 -10.261 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.933 -3.085 -9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.316 -3.589 -11.948 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.802 -4.198 -11.246 1.00 0.00 H new ATOM 680 N PHE A 52 -4.626 -0.485 -9.020 1.00 0.00 N ATOM 681 CA PHE A 52 -5.555 0.630 -9.156 1.00 0.00 C ATOM 682 C PHE A 52 -4.882 1.819 -9.836 1.00 0.00 C ATOM 683 O PHE A 52 -3.688 1.785 -10.134 1.00 0.00 O ATOM 684 CB PHE A 52 -6.089 1.048 -7.784 1.00 0.00 C ATOM 685 CG PHE A 52 -5.082 0.900 -6.679 1.00 0.00 C ATOM 686 CD1 PHE A 52 -4.697 -0.356 -6.238 1.00 0.00 C ATOM 687 CD2 PHE A 52 -4.520 2.017 -6.082 1.00 0.00 C ATOM 688 CE1 PHE A 52 -3.770 -0.495 -5.222 1.00 0.00 C ATOM 689 CE2 PHE A 52 -3.593 1.884 -5.066 1.00 0.00 C ATOM 690 CZ PHE A 52 -3.218 0.627 -4.634 1.00 0.00 C ATOM 0 H PHE A 52 -3.673 -0.213 -8.777 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.388 0.302 -9.778 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.415 2.087 -7.831 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.968 0.448 -7.547 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.126 -1.236 -6.693 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.810 3.003 -6.415 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.477 -1.480 -4.888 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.162 2.763 -4.610 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.495 0.521 -3.839 1.00 0.00 H new ATOM 700 N THR A 53 -5.658 2.872 -10.078 1.00 0.00 N ATOM 701 CA THR A 53 -5.139 4.071 -10.724 1.00 0.00 C ATOM 702 C THR A 53 -5.108 5.247 -9.755 1.00 0.00 C ATOM 703 O THR A 53 -6.153 5.741 -9.330 1.00 0.00 O ATOM 704 CB THR A 53 -5.981 4.456 -11.955 1.00 0.00 C ATOM 705 OG1 THR A 53 -6.164 3.314 -12.799 1.00 0.00 O ATOM 706 CG2 THR A 53 -5.311 5.572 -12.741 1.00 0.00 C ATOM 0 H THR A 53 -6.648 2.918 -9.836 1.00 0.00 H new ATOM 0 HA THR A 53 -4.123 3.842 -11.046 1.00 0.00 H new ATOM 0 HB THR A 53 -6.952 4.810 -11.608 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.702 3.566 -13.579 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.924 5.827 -13.606 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.199 6.449 -12.104 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.329 5.241 -13.078 1.00 0.00 H new ATOM 714 N ILE A 54 -3.905 5.693 -9.410 1.00 0.00 N ATOM 715 CA ILE A 54 -3.740 6.813 -8.493 1.00 0.00 C ATOM 716 C ILE A 54 -3.363 8.087 -9.242 1.00 0.00 C ATOM 717 O ILE A 54 -2.515 8.067 -10.134 1.00 0.00 O ATOM 718 CB ILE A 54 -2.663 6.518 -7.432 1.00 0.00 C ATOM 719 CG1 ILE A 54 -3.102 5.359 -6.536 1.00 0.00 C ATOM 720 CG2 ILE A 54 -2.384 7.761 -6.600 1.00 0.00 C ATOM 721 CD1 ILE A 54 -2.014 4.865 -5.609 1.00 0.00 C ATOM 0 H ILE A 54 -3.030 5.295 -9.752 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.699 6.957 -7.996 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.743 6.231 -7.941 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.959 5.675 -5.941 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.437 4.533 -7.163 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.621 7.536 -5.855 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.032 8.562 -7.250 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.299 8.076 -6.099 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.397 4.043 -5.004 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.165 4.518 -6.197 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.695 5.678 -4.956 1.00 0.00 H new ATOM 733 N ASP A 55 -3.999 9.193 -8.873 1.00 0.00 N ATOM 734 CA ASP A 55 -3.730 10.478 -9.509 1.00 0.00 C ATOM 735 C ASP A 55 -3.035 11.429 -8.539 1.00 0.00 C ATOM 736 O ASP A 55 -3.556 11.728 -7.464 1.00 0.00 O ATOM 737 CB ASP A 55 -5.031 11.105 -10.012 1.00 0.00 C ATOM 738 CG ASP A 55 -5.382 10.659 -11.418 1.00 0.00 C ATOM 739 OD1 ASP A 55 -4.916 9.577 -11.831 1.00 0.00 O ATOM 740 OD2 ASP A 55 -6.124 11.392 -12.106 1.00 0.00 O ATOM 0 H ASP A 55 -4.704 9.226 -8.137 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.068 10.304 -10.357 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.844 10.840 -9.336 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.940 12.191 -9.990 1.00 0.00 H new ATOM 745 N THR A 56 -1.853 11.900 -8.925 1.00 0.00 N ATOM 746 CA THR A 56 -1.085 12.815 -8.090 1.00 0.00 C ATOM 747 C THR A 56 -0.793 14.118 -8.825 1.00 0.00 C ATOM 748 O THR A 56 0.141 14.841 -8.480 1.00 0.00 O ATOM 749 CB THR A 56 0.246 12.182 -7.641 1.00 0.00 C ATOM 750 OG1 THR A 56 1.019 11.805 -8.785 1.00 0.00 O ATOM 751 CG2 THR A 56 -0.002 10.963 -6.766 1.00 0.00 C ATOM 0 H THR A 56 -1.407 11.663 -9.811 1.00 0.00 H new ATOM 0 HA THR A 56 -1.693 13.027 -7.211 1.00 0.00 H new ATOM 0 HB THR A 56 0.796 12.921 -7.059 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.864 11.405 -8.491 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.952 10.533 -6.462 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.566 11.259 -5.881 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.571 10.222 -7.327 1.00 0.00 H new ATOM 759 N LYS A 57 -1.599 14.412 -9.840 1.00 0.00 N ATOM 760 CA LYS A 57 -1.429 15.630 -10.624 1.00 0.00 C ATOM 761 C LYS A 57 -1.964 16.842 -9.868 1.00 0.00 C ATOM 762 O LYS A 57 -3.162 16.945 -9.609 1.00 0.00 O ATOM 763 CB LYS A 57 -2.145 15.498 -11.970 1.00 0.00 C ATOM 764 CG LYS A 57 -1.920 14.159 -12.650 1.00 0.00 C ATOM 765 CD LYS A 57 -3.006 13.861 -13.670 1.00 0.00 C ATOM 766 CE LYS A 57 -2.587 12.753 -14.624 1.00 0.00 C ATOM 767 NZ LYS A 57 -2.978 11.408 -14.118 1.00 0.00 N ATOM 0 H LYS A 57 -2.376 13.823 -10.139 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.363 15.775 -10.799 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.215 15.644 -11.819 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.805 16.294 -12.632 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.948 14.159 -13.142 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.897 13.368 -11.900 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.921 13.571 -13.154 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.232 14.764 -14.237 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.044 12.921 -15.599 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.507 12.787 -14.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.630 10.677 -14.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.563 11.257 -13.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.014 11.349 -14.053 1.00 0.00 H new ATOM 781 N GLY A 58 -1.066 17.759 -9.519 1.00 0.00 N ATOM 782 CA GLY A 58 -1.468 18.953 -8.798 1.00 0.00 C ATOM 783 C GLY A 58 -1.097 18.896 -7.330 1.00 0.00 C ATOM 784 O GLY A 58 -0.909 19.930 -6.689 1.00 0.00 O ATOM 0 H GLY A 58 -0.068 17.696 -9.723 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.999 19.825 -9.255 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.546 19.085 -8.892 1.00 0.00 H new ATOM 788 N ALA A 59 -0.992 17.684 -6.794 1.00 0.00 N ATOM 789 CA ALA A 59 -0.641 17.497 -5.392 1.00 0.00 C ATOM 790 C ALA A 59 0.631 18.259 -5.038 1.00 0.00 C ATOM 791 O ALA A 59 0.612 19.167 -4.208 1.00 0.00 O ATOM 792 CB ALA A 59 -0.474 16.016 -5.083 1.00 0.00 C ATOM 0 H ALA A 59 -1.145 16.817 -7.310 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.453 17.895 -4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.212 15.891 -4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.408 15.494 -5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.318 15.601 -5.706 1.00 0.00 H new ATOM 798 N GLY A 60 1.738 17.884 -5.673 1.00 0.00 N ATOM 799 CA GLY A 60 3.004 18.542 -5.410 1.00 0.00 C ATOM 800 C GLY A 60 4.188 17.614 -5.590 1.00 0.00 C ATOM 801 O GLY A 60 4.147 16.692 -6.405 1.00 0.00 O ATOM 0 H GLY A 60 1.780 17.136 -6.365 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.111 19.397 -6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.003 18.931 -4.392 1.00 0.00 H new ATOM 805 N THR A 61 5.250 17.858 -4.827 1.00 0.00 N ATOM 806 CA THR A 61 6.453 17.039 -4.908 1.00 0.00 C ATOM 807 C THR A 61 6.840 16.493 -3.538 1.00 0.00 C ATOM 808 O THR A 61 7.098 17.254 -2.607 1.00 0.00 O ATOM 809 CB THR A 61 7.638 17.836 -5.484 1.00 0.00 C ATOM 810 OG1 THR A 61 7.287 18.384 -6.760 1.00 0.00 O ATOM 811 CG2 THR A 61 8.867 16.951 -5.627 1.00 0.00 C ATOM 0 H THR A 61 5.301 18.616 -4.146 1.00 0.00 H new ATOM 0 HA THR A 61 6.225 16.208 -5.576 1.00 0.00 H new ATOM 0 HB THR A 61 7.872 18.646 -4.793 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.046 18.891 -7.118 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.691 17.536 -6.036 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.149 16.560 -4.650 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.642 16.122 -6.298 1.00 0.00 H new ATOM 819 N GLY A 62 6.878 15.169 -3.422 1.00 0.00 N ATOM 820 CA GLY A 62 7.235 14.545 -2.162 1.00 0.00 C ATOM 821 C GLY A 62 7.358 13.038 -2.275 1.00 0.00 C ATOM 822 O GLY A 62 8.393 12.523 -2.698 1.00 0.00 O ATOM 0 H GLY A 62 6.668 14.518 -4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.180 14.958 -1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.482 14.790 -1.413 1.00 0.00 H new ATOM 826 N GLY A 63 6.300 12.329 -1.895 1.00 0.00 N ATOM 827 CA GLY A 63 6.316 10.879 -1.963 1.00 0.00 C ATOM 828 C GLY A 63 5.035 10.261 -1.438 1.00 0.00 C ATOM 829 O GLY A 63 4.253 10.921 -0.752 1.00 0.00 O ATOM 0 H GLY A 63 5.432 12.732 -1.541 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.469 10.568 -2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.161 10.500 -1.388 1.00 0.00 H new ATOM 833 N LEU A 64 4.818 8.991 -1.761 1.00 0.00 N ATOM 834 CA LEU A 64 3.622 8.282 -1.318 1.00 0.00 C ATOM 835 C LEU A 64 3.978 6.909 -0.758 1.00 0.00 C ATOM 836 O LEU A 64 4.761 6.169 -1.352 1.00 0.00 O ATOM 837 CB LEU A 64 2.636 8.133 -2.478 1.00 0.00 C ATOM 838 CG LEU A 64 1.286 7.501 -2.135 1.00 0.00 C ATOM 839 CD1 LEU A 64 0.360 8.530 -1.507 1.00 0.00 C ATOM 840 CD2 LEU A 64 0.650 6.895 -3.377 1.00 0.00 C ATOM 0 H LEU A 64 5.454 8.431 -2.328 1.00 0.00 H new ATOM 0 HA LEU A 64 3.156 8.866 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.455 9.120 -2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.109 7.533 -3.255 1.00 0.00 H new ATOM 0 HG LEU A 64 1.453 6.703 -1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.596 8.063 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.812 8.917 -0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.199 9.350 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.310 6.450 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.496 7.674 -4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.307 6.126 -3.784 1.00 0.00 H new ATOM 852 N GLY A 65 3.394 6.574 0.389 1.00 0.00 N ATOM 853 CA GLY A 65 3.661 5.289 1.009 1.00 0.00 C ATOM 854 C GLY A 65 2.427 4.411 1.077 1.00 0.00 C ATOM 855 O GLY A 65 1.363 4.855 1.509 1.00 0.00 O ATOM 0 H GLY A 65 2.741 7.169 0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.440 4.773 0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.046 5.448 2.016 1.00 0.00 H new ATOM 859 N LEU A 66 2.568 3.162 0.648 1.00 0.00 N ATOM 860 CA LEU A 66 1.455 2.219 0.660 1.00 0.00 C ATOM 861 C LEU A 66 1.792 0.990 1.499 1.00 0.00 C ATOM 862 O LEU A 66 2.885 0.433 1.395 1.00 0.00 O ATOM 863 CB LEU A 66 1.105 1.794 -0.767 1.00 0.00 C ATOM 864 CG LEU A 66 0.535 0.385 -0.928 1.00 0.00 C ATOM 865 CD1 LEU A 66 -0.906 0.333 -0.443 1.00 0.00 C ATOM 866 CD2 LEU A 66 0.628 -0.066 -2.378 1.00 0.00 C ATOM 0 H LEU A 66 3.442 2.779 0.288 1.00 0.00 H new ATOM 0 HA LEU A 66 0.594 2.717 1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.383 2.504 -1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.004 1.873 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 66 1.127 -0.297 -0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.295 -0.678 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.946 0.612 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.511 1.028 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.218 -1.071 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.061 0.619 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.672 -0.069 -2.692 1.00 0.00 H new ATOM 878 N THR A 67 0.844 0.570 2.331 1.00 0.00 N ATOM 879 CA THR A 67 1.038 -0.592 3.188 1.00 0.00 C ATOM 880 C THR A 67 -0.246 -1.404 3.314 1.00 0.00 C ATOM 881 O THR A 67 -1.294 -0.873 3.681 1.00 0.00 O ATOM 882 CB THR A 67 1.513 -0.181 4.595 1.00 0.00 C ATOM 883 OG1 THR A 67 0.796 0.979 5.033 1.00 0.00 O ATOM 884 CG2 THR A 67 3.006 0.107 4.599 1.00 0.00 C ATOM 0 H THR A 67 -0.067 1.018 2.429 1.00 0.00 H new ATOM 0 HA THR A 67 1.807 -1.205 2.718 1.00 0.00 H new ATOM 0 HB THR A 67 1.318 -1.008 5.278 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.102 1.234 5.929 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.318 0.395 5.603 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.550 -0.787 4.292 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.222 0.919 3.905 1.00 0.00 H new ATOM 892 N VAL A 68 -0.158 -2.694 3.008 1.00 0.00 N ATOM 893 CA VAL A 68 -1.313 -3.580 3.090 1.00 0.00 C ATOM 894 C VAL A 68 -1.480 -4.137 4.499 1.00 0.00 C ATOM 895 O VAL A 68 -0.706 -4.987 4.936 1.00 0.00 O ATOM 896 CB VAL A 68 -1.193 -4.752 2.097 1.00 0.00 C ATOM 897 CG1 VAL A 68 -2.161 -5.866 2.466 1.00 0.00 C ATOM 898 CG2 VAL A 68 -1.437 -4.272 0.675 1.00 0.00 C ATOM 0 H VAL A 68 0.702 -3.149 2.701 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.188 -2.983 2.833 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.180 -5.150 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.062 -6.685 1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.934 -6.228 3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.182 -5.484 2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.348 -5.113 -0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.438 -3.847 0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.700 -3.512 0.416 1.00 0.00 H new ATOM 908 N GLU A 69 -2.497 -3.652 5.204 1.00 0.00 N ATOM 909 CA GLU A 69 -2.766 -4.102 6.565 1.00 0.00 C ATOM 910 C GLU A 69 -3.794 -5.230 6.572 1.00 0.00 C ATOM 911 O GLU A 69 -4.798 -5.165 7.280 1.00 0.00 O ATOM 912 CB GLU A 69 -3.266 -2.937 7.422 1.00 0.00 C ATOM 913 CG GLU A 69 -2.154 -2.181 8.129 1.00 0.00 C ATOM 914 CD GLU A 69 -1.669 -2.890 9.378 1.00 0.00 C ATOM 915 OE1 GLU A 69 -1.555 -4.134 9.347 1.00 0.00 O ATOM 916 OE2 GLU A 69 -1.404 -2.203 10.387 1.00 0.00 O ATOM 0 H GLU A 69 -3.148 -2.948 4.856 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.834 -4.480 6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.820 -2.244 6.790 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.965 -3.318 8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.317 -2.048 7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.509 -1.186 8.396 1.00 0.00 H new ATOM 923 N GLY A 70 -3.534 -6.264 5.778 1.00 0.00 N ATOM 924 CA GLY A 70 -4.445 -7.392 5.706 1.00 0.00 C ATOM 925 C GLY A 70 -4.122 -8.463 6.728 1.00 0.00 C ATOM 926 O GLY A 70 -3.175 -8.344 7.506 1.00 0.00 O ATOM 0 H GLY A 70 -2.709 -6.341 5.183 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.465 -7.042 5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.405 -7.824 4.706 1.00 0.00 H new ATOM 930 N PRO A 71 -4.923 -9.540 6.736 1.00 0.00 N ATOM 931 CA PRO A 71 -4.737 -10.657 7.666 1.00 0.00 C ATOM 932 C PRO A 71 -3.485 -11.470 7.355 1.00 0.00 C ATOM 933 O PRO A 71 -2.958 -12.172 8.218 1.00 0.00 O ATOM 934 CB PRO A 71 -5.993 -11.507 7.454 1.00 0.00 C ATOM 935 CG PRO A 71 -6.436 -11.188 6.068 1.00 0.00 C ATOM 936 CD PRO A 71 -6.070 -9.748 5.837 1.00 0.00 C ATOM 0 HA PRO A 71 -4.605 -10.315 8.692 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.776 -12.569 7.566 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.765 -11.261 8.183 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.945 -11.837 5.342 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.510 -11.340 5.957 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.804 -9.563 4.796 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.896 -9.079 6.078 1.00 0.00 H new ATOM 944 N CYS A 72 -3.014 -11.369 6.117 1.00 0.00 N ATOM 945 CA CYS A 72 -1.823 -12.096 5.691 1.00 0.00 C ATOM 946 C CYS A 72 -0.764 -11.137 5.154 1.00 0.00 C ATOM 947 O CYS A 72 -0.949 -9.921 5.172 1.00 0.00 O ATOM 948 CB CYS A 72 -2.184 -13.127 4.621 1.00 0.00 C ATOM 949 SG CYS A 72 -3.615 -12.674 3.613 1.00 0.00 S ATOM 0 H CYS A 72 -3.438 -10.791 5.391 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.413 -12.613 6.559 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -1.324 -13.273 3.967 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.382 -14.083 5.105 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.573 -11.402 3.347 1.00 0.00 H new ATOM 955 N GLU A 73 0.345 -11.695 4.680 1.00 0.00 N ATOM 956 CA GLU A 73 1.434 -10.889 4.141 1.00 0.00 C ATOM 957 C GLU A 73 1.448 -10.943 2.616 1.00 0.00 C ATOM 958 O GLU A 73 2.077 -11.817 2.021 1.00 0.00 O ATOM 959 CB GLU A 73 2.777 -11.372 4.692 1.00 0.00 C ATOM 960 CG GLU A 73 3.978 -10.748 4.001 1.00 0.00 C ATOM 961 CD GLU A 73 5.297 -11.250 4.557 1.00 0.00 C ATOM 962 OE1 GLU A 73 5.698 -10.783 5.643 1.00 0.00 O ATOM 963 OE2 GLU A 73 5.927 -12.109 3.906 1.00 0.00 O ATOM 0 H GLU A 73 0.513 -12.701 4.658 1.00 0.00 H new ATOM 0 HA GLU A 73 1.274 -9.856 4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.825 -11.148 5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.833 -12.456 4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.932 -10.965 2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.932 -9.664 4.108 1.00 0.00 H new ATOM 970 N ALA A 74 0.749 -10.002 1.990 1.00 0.00 N ATOM 971 CA ALA A 74 0.682 -9.941 0.535 1.00 0.00 C ATOM 972 C ALA A 74 1.763 -9.024 -0.027 1.00 0.00 C ATOM 973 O ALA A 74 2.062 -7.975 0.545 1.00 0.00 O ATOM 974 CB ALA A 74 -0.695 -9.470 0.090 1.00 0.00 C ATOM 0 H ALA A 74 0.221 -9.271 2.468 1.00 0.00 H new ATOM 0 HA ALA A 74 0.855 -10.944 0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.731 -9.429 -0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.452 -10.165 0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.889 -8.478 0.497 1.00 0.00 H new ATOM 980 N LYS A 75 2.349 -9.427 -1.149 1.00 0.00 N ATOM 981 CA LYS A 75 3.398 -8.643 -1.790 1.00 0.00 C ATOM 982 C LYS A 75 2.818 -7.397 -2.453 1.00 0.00 C ATOM 983 O LYS A 75 1.664 -7.392 -2.883 1.00 0.00 O ATOM 984 CB LYS A 75 4.135 -9.490 -2.829 1.00 0.00 C ATOM 985 CG LYS A 75 5.543 -9.002 -3.125 1.00 0.00 C ATOM 986 CD LYS A 75 6.552 -9.592 -2.154 1.00 0.00 C ATOM 987 CE LYS A 75 6.855 -11.047 -2.479 1.00 0.00 C ATOM 988 NZ LYS A 75 8.176 -11.473 -1.940 1.00 0.00 N ATOM 0 H LYS A 75 2.115 -10.293 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 75 4.103 -8.329 -1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.183 -10.520 -2.477 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.560 -9.496 -3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.816 -9.273 -4.145 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.572 -7.914 -3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.474 -9.011 -2.188 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.166 -9.518 -1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.072 -11.682 -2.065 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.841 -11.188 -3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.345 -12.470 -2.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.926 -10.884 -2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.181 -11.363 -0.906 1.00 0.00 H new ATOM 1002 N ILE A 76 3.626 -6.345 -2.533 1.00 0.00 N ATOM 1003 CA ILE A 76 3.193 -5.096 -3.147 1.00 0.00 C ATOM 1004 C ILE A 76 4.244 -4.566 -4.116 1.00 0.00 C ATOM 1005 O ILE A 76 5.383 -4.307 -3.730 1.00 0.00 O ATOM 1006 CB ILE A 76 2.900 -4.019 -2.085 1.00 0.00 C ATOM 1007 CG1 ILE A 76 2.024 -4.595 -0.971 1.00 0.00 C ATOM 1008 CG2 ILE A 76 2.229 -2.813 -2.725 1.00 0.00 C ATOM 1009 CD1 ILE A 76 2.186 -3.884 0.354 1.00 0.00 C ATOM 0 H ILE A 76 4.583 -6.333 -2.181 1.00 0.00 H new ATOM 0 HA ILE A 76 2.276 -5.315 -3.694 1.00 0.00 H new ATOM 0 HB ILE A 76 3.844 -3.695 -1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.979 -4.542 -1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.264 -5.650 -0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.028 -2.061 -1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.886 -2.392 -3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.291 -3.121 -3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.535 -4.346 1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.222 -3.959 0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.917 -2.834 0.239 1.00 0.00 H new ATOM 1021 N GLU A 77 3.852 -4.405 -5.376 1.00 0.00 N ATOM 1022 CA GLU A 77 4.761 -3.904 -6.400 1.00 0.00 C ATOM 1023 C GLU A 77 4.313 -2.535 -6.903 1.00 0.00 C ATOM 1024 O GLU A 77 3.294 -2.414 -7.584 1.00 0.00 O ATOM 1025 CB GLU A 77 4.839 -4.888 -7.569 1.00 0.00 C ATOM 1026 CG GLU A 77 5.733 -6.087 -7.298 1.00 0.00 C ATOM 1027 CD GLU A 77 5.617 -7.155 -8.368 1.00 0.00 C ATOM 1028 OE1 GLU A 77 6.002 -6.882 -9.524 1.00 0.00 O ATOM 1029 OE2 GLU A 77 5.142 -8.265 -8.049 1.00 0.00 O ATOM 0 H GLU A 77 2.912 -4.614 -5.712 1.00 0.00 H new ATOM 0 HA GLU A 77 5.750 -3.802 -5.953 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.835 -5.240 -7.804 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.207 -4.363 -8.451 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.769 -5.755 -7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.474 -6.517 -6.331 1.00 0.00 H new ATOM 1036 N CYS A 78 5.082 -1.506 -6.561 1.00 0.00 N ATOM 1037 CA CYS A 78 4.764 -0.144 -6.976 1.00 0.00 C ATOM 1038 C CYS A 78 5.823 0.393 -7.934 1.00 0.00 C ATOM 1039 O CYS A 78 7.020 0.318 -7.657 1.00 0.00 O ATOM 1040 CB CYS A 78 4.653 0.770 -5.755 1.00 0.00 C ATOM 1041 SG CYS A 78 6.187 0.932 -4.812 1.00 0.00 S ATOM 0 H CYS A 78 5.929 -1.589 -5.998 1.00 0.00 H new ATOM 0 HA CYS A 78 3.806 -0.162 -7.495 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.335 1.760 -6.083 1.00 0.00 H new ATOM 0 HB3 CYS A 78 3.873 0.386 -5.097 1.00 0.00 H new ATOM 0 HG CYS A 78 7.203 0.742 -5.600 1.00 0.00 H new ATOM 1047 N SER A 79 5.373 0.933 -9.062 1.00 0.00 N ATOM 1048 CA SER A 79 6.282 1.478 -10.064 1.00 0.00 C ATOM 1049 C SER A 79 5.750 2.795 -10.620 1.00 0.00 C ATOM 1050 O SER A 79 4.778 2.816 -11.375 1.00 0.00 O ATOM 1051 CB SER A 79 6.481 0.475 -11.202 1.00 0.00 C ATOM 1052 OG SER A 79 7.355 0.991 -12.190 1.00 0.00 O ATOM 0 H SER A 79 4.385 1.005 -9.305 1.00 0.00 H new ATOM 0 HA SER A 79 7.242 1.667 -9.584 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.886 -0.455 -10.804 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.518 0.236 -11.653 1.00 0.00 H new ATOM 0 HG SER A 79 7.467 0.330 -12.905 1.00 0.00 H new ATOM 1058 N ASP A 80 6.396 3.893 -10.241 1.00 0.00 N ATOM 1059 CA ASP A 80 5.990 5.216 -10.701 1.00 0.00 C ATOM 1060 C ASP A 80 6.008 5.290 -12.225 1.00 0.00 C ATOM 1061 O ASP A 80 6.779 4.591 -12.881 1.00 0.00 O ATOM 1062 CB ASP A 80 6.910 6.288 -10.115 1.00 0.00 C ATOM 1063 CG ASP A 80 8.369 5.876 -10.141 1.00 0.00 C ATOM 1064 OD1 ASP A 80 9.036 6.124 -11.167 1.00 0.00 O ATOM 1065 OD2 ASP A 80 8.843 5.306 -9.137 1.00 0.00 O ATOM 0 H ASP A 80 7.203 3.893 -9.617 1.00 0.00 H new ATOM 0 HA ASP A 80 4.971 5.396 -10.358 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.787 7.214 -10.676 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.612 6.496 -9.087 1.00 0.00 H new ATOM 1070 N ASN A 81 5.152 6.142 -12.781 1.00 0.00 N ATOM 1071 CA ASN A 81 5.069 6.306 -14.228 1.00 0.00 C ATOM 1072 C ASN A 81 5.867 7.524 -14.684 1.00 0.00 C ATOM 1073 O ASN A 81 6.771 7.413 -15.511 1.00 0.00 O ATOM 1074 CB ASN A 81 3.609 6.447 -14.663 1.00 0.00 C ATOM 1075 CG ASN A 81 2.796 5.199 -14.373 1.00 0.00 C ATOM 1076 OD1 ASN A 81 2.216 5.136 -13.180 1.00 0.00 O flip ATOM 1077 ND2 ASN A 81 2.692 4.304 -15.212 1.00 0.00 N flip ATOM 0 H ASN A 81 4.507 6.729 -12.252 1.00 0.00 H new ATOM 0 HA ASN A 81 5.496 5.418 -14.695 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.160 7.297 -14.149 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.570 6.663 -15.731 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.156 4.396 -16.116 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.142 3.471 -15.003 1.00 0.00 H new ATOM 1084 N GLY A 82 5.525 8.687 -14.137 1.00 0.00 N ATOM 1085 CA GLY A 82 6.219 9.909 -14.499 1.00 0.00 C ATOM 1086 C GLY A 82 5.288 10.954 -15.080 1.00 0.00 C ATOM 1087 O GLY A 82 5.684 12.101 -15.289 1.00 0.00 O ATOM 0 H GLY A 82 4.780 8.804 -13.450 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.713 10.317 -13.617 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.999 9.679 -15.224 1.00 0.00 H new ATOM 1091 N ASP A 83 4.047 10.559 -15.342 1.00 0.00 N ATOM 1092 CA ASP A 83 3.057 11.470 -15.903 1.00 0.00 C ATOM 1093 C ASP A 83 2.141 12.015 -14.812 1.00 0.00 C ATOM 1094 O ASP A 83 1.438 13.005 -15.014 1.00 0.00 O ATOM 1095 CB ASP A 83 2.228 10.760 -16.974 1.00 0.00 C ATOM 1096 CG ASP A 83 1.300 9.713 -16.389 1.00 0.00 C ATOM 1097 OD1 ASP A 83 1.806 8.690 -15.880 1.00 0.00 O ATOM 1098 OD2 ASP A 83 0.070 9.916 -16.439 1.00 0.00 O ATOM 0 H ASP A 83 3.703 9.614 -15.175 1.00 0.00 H new ATOM 0 HA ASP A 83 3.586 12.306 -16.360 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.640 11.497 -17.522 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.897 10.287 -17.693 1.00 0.00 H new ATOM 1103 N GLY A 84 2.153 11.361 -13.654 1.00 0.00 N ATOM 1104 CA GLY A 84 1.318 11.794 -12.549 1.00 0.00 C ATOM 1105 C GLY A 84 0.464 10.672 -11.993 1.00 0.00 C ATOM 1106 O GLY A 84 -0.578 10.917 -11.384 1.00 0.00 O ATOM 0 H GLY A 84 2.726 10.539 -13.462 1.00 0.00 H new ATOM 0 HA2 GLY A 84 1.949 12.193 -11.755 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.673 12.607 -12.882 1.00 0.00 H new ATOM 1110 N THR A 85 0.903 9.435 -12.205 1.00 0.00 N ATOM 1111 CA THR A 85 0.170 8.271 -11.723 1.00 0.00 C ATOM 1112 C THR A 85 1.121 7.199 -11.203 1.00 0.00 C ATOM 1113 O THR A 85 2.339 7.384 -11.203 1.00 0.00 O ATOM 1114 CB THR A 85 -0.712 7.665 -12.831 1.00 0.00 C ATOM 1115 OG1 THR A 85 0.044 7.527 -14.039 1.00 0.00 O ATOM 1116 CG2 THR A 85 -1.933 8.536 -13.087 1.00 0.00 C ATOM 0 H THR A 85 1.763 9.214 -12.707 1.00 0.00 H new ATOM 0 HA THR A 85 -0.467 8.614 -10.908 1.00 0.00 H new ATOM 0 HB THR A 85 -1.049 6.683 -12.500 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.033 8.348 -14.569 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.541 8.088 -13.873 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.522 8.615 -12.173 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.612 9.530 -13.398 1.00 0.00 H new ATOM 1124 N CYS A 86 0.559 6.079 -10.762 1.00 0.00 N ATOM 1125 CA CYS A 86 1.358 4.977 -10.240 1.00 0.00 C ATOM 1126 C CYS A 86 0.691 3.636 -10.530 1.00 0.00 C ATOM 1127 O CYS A 86 -0.535 3.530 -10.538 1.00 0.00 O ATOM 1128 CB CYS A 86 1.567 5.140 -8.733 1.00 0.00 C ATOM 1129 SG CYS A 86 3.119 4.443 -8.123 1.00 0.00 S ATOM 0 H CYS A 86 -0.447 5.910 -10.756 1.00 0.00 H new ATOM 0 HA CYS A 86 2.327 4.996 -10.739 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.536 6.201 -8.485 1.00 0.00 H new ATOM 0 HB3 CYS A 86 0.737 4.666 -8.209 1.00 0.00 H new ATOM 0 HG CYS A 86 3.205 4.632 -6.840 1.00 0.00 H new ATOM 1135 N SER A 87 1.507 2.615 -10.771 1.00 0.00 N ATOM 1136 CA SER A 87 0.997 1.282 -11.068 1.00 0.00 C ATOM 1137 C SER A 87 1.267 0.326 -9.910 1.00 0.00 C ATOM 1138 O SER A 87 2.233 -0.437 -9.933 1.00 0.00 O ATOM 1139 CB SER A 87 1.634 0.743 -12.350 1.00 0.00 C ATOM 1140 OG SER A 87 1.181 -0.570 -12.632 1.00 0.00 O ATOM 0 H SER A 87 2.525 2.686 -10.766 1.00 0.00 H new ATOM 0 HA SER A 87 -0.081 1.356 -11.210 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.392 1.401 -13.184 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.719 0.743 -12.248 1.00 0.00 H new ATOM 0 HG SER A 87 1.602 -0.891 -13.457 1.00 0.00 H new ATOM 1146 N VAL A 88 0.406 0.373 -8.899 1.00 0.00 N ATOM 1147 CA VAL A 88 0.551 -0.489 -7.731 1.00 0.00 C ATOM 1148 C VAL A 88 -0.249 -1.776 -7.897 1.00 0.00 C ATOM 1149 O VAL A 88 -1.466 -1.744 -8.077 1.00 0.00 O ATOM 1150 CB VAL A 88 0.092 0.226 -6.446 1.00 0.00 C ATOM 1151 CG1 VAL A 88 0.281 -0.677 -5.237 1.00 0.00 C ATOM 1152 CG2 VAL A 88 0.846 1.535 -6.267 1.00 0.00 C ATOM 0 H VAL A 88 -0.399 0.998 -8.865 1.00 0.00 H new ATOM 0 HA VAL A 88 1.610 -0.731 -7.644 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.970 0.454 -6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.048 -0.156 -4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.308 -1.585 -5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.335 -0.938 -5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.509 2.027 -5.354 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.915 1.333 -6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.655 2.185 -7.121 1.00 0.00 H new ATOM 1162 N SER A 89 0.444 -2.909 -7.835 1.00 0.00 N ATOM 1163 CA SER A 89 -0.200 -4.208 -7.981 1.00 0.00 C ATOM 1164 C SER A 89 0.196 -5.143 -6.841 1.00 0.00 C ATOM 1165 O SER A 89 1.380 -5.329 -6.560 1.00 0.00 O ATOM 1166 CB SER A 89 0.172 -4.838 -9.324 1.00 0.00 C ATOM 1167 OG SER A 89 1.571 -4.780 -9.544 1.00 0.00 O ATOM 0 H SER A 89 1.452 -2.953 -7.685 1.00 0.00 H new ATOM 0 HA SER A 89 -1.279 -4.056 -7.945 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.160 -5.876 -9.347 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.348 -4.319 -10.129 1.00 0.00 H new ATOM 0 HG SER A 89 1.784 -5.191 -10.408 1.00 0.00 H new ATOM 1173 N TYR A 90 -0.804 -5.727 -6.189 1.00 0.00 N ATOM 1174 CA TYR A 90 -0.561 -6.640 -5.079 1.00 0.00 C ATOM 1175 C TYR A 90 -1.123 -8.026 -5.380 1.00 0.00 C ATOM 1176 O TYR A 90 -2.072 -8.169 -6.152 1.00 0.00 O ATOM 1177 CB TYR A 90 -1.187 -6.092 -3.795 1.00 0.00 C ATOM 1178 CG TYR A 90 -2.698 -6.047 -3.829 1.00 0.00 C ATOM 1179 CD1 TYR A 90 -3.368 -4.972 -4.398 1.00 0.00 C ATOM 1180 CD2 TYR A 90 -3.455 -7.081 -3.291 1.00 0.00 C ATOM 1181 CE1 TYR A 90 -4.749 -4.927 -4.431 1.00 0.00 C ATOM 1182 CE2 TYR A 90 -4.836 -7.044 -3.320 1.00 0.00 C ATOM 1183 CZ TYR A 90 -5.478 -5.966 -3.891 1.00 0.00 C ATOM 1184 OH TYR A 90 -6.853 -5.925 -3.921 1.00 0.00 O ATOM 0 H TYR A 90 -1.789 -5.584 -6.410 1.00 0.00 H new ATOM 0 HA TYR A 90 0.517 -6.727 -4.942 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.869 -6.708 -2.954 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.806 -5.087 -3.615 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.800 -4.157 -4.822 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.956 -7.927 -2.843 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.254 -4.083 -4.877 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.410 -7.856 -2.897 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.150 -5.002 -4.066 1.00 0.00 H new ATOM 1194 N LEU A 91 -0.531 -9.043 -4.766 1.00 0.00 N ATOM 1195 CA LEU A 91 -0.971 -10.420 -4.966 1.00 0.00 C ATOM 1196 C LEU A 91 -1.324 -11.078 -3.636 1.00 0.00 C ATOM 1197 O LEU A 91 -0.453 -11.469 -2.859 1.00 0.00 O ATOM 1198 CB LEU A 91 0.119 -11.226 -5.675 1.00 0.00 C ATOM 1199 CG LEU A 91 0.047 -11.256 -7.202 1.00 0.00 C ATOM 1200 CD1 LEU A 91 1.410 -11.577 -7.794 1.00 0.00 C ATOM 1201 CD2 LEU A 91 -0.991 -12.266 -7.667 1.00 0.00 C ATOM 0 H LEU A 91 0.256 -8.941 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.865 -10.403 -5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.089 -10.821 -5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.080 -12.252 -5.309 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.254 -10.269 -7.552 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.339 -11.594 -8.882 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.128 -10.815 -7.489 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.741 -12.552 -7.437 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.029 -12.274 -8.756 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.720 -13.258 -7.306 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.969 -11.991 -7.272 1.00 0.00 H new ATOM 1213 N PRO A 92 -2.632 -11.205 -3.367 1.00 0.00 N ATOM 1214 CA PRO A 92 -3.130 -11.819 -2.133 1.00 0.00 C ATOM 1215 C PRO A 92 -2.874 -13.321 -2.088 1.00 0.00 C ATOM 1216 O PRO A 92 -2.269 -13.887 -2.999 1.00 0.00 O ATOM 1217 CB PRO A 92 -4.633 -11.533 -2.176 1.00 0.00 C ATOM 1218 CG PRO A 92 -4.947 -11.375 -3.624 1.00 0.00 C ATOM 1219 CD PRO A 92 -3.725 -10.761 -4.248 1.00 0.00 C ATOM 0 HA PRO A 92 -2.632 -11.420 -1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.204 -12.349 -1.734 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.881 -10.631 -1.616 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.177 -12.338 -4.081 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.820 -10.738 -3.767 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.581 -11.105 -5.272 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.795 -9.674 -4.284 1.00 0.00 H new ATOM 1227 N THR A 93 -3.339 -13.965 -1.021 1.00 0.00 N ATOM 1228 CA THR A 93 -3.160 -15.401 -0.857 1.00 0.00 C ATOM 1229 C THR A 93 -4.458 -16.071 -0.420 1.00 0.00 C ATOM 1230 O THR A 93 -4.755 -17.196 -0.822 1.00 0.00 O ATOM 1231 CB THR A 93 -2.060 -15.717 0.174 1.00 0.00 C ATOM 1232 OG1 THR A 93 -2.035 -17.122 0.450 1.00 0.00 O ATOM 1233 CG2 THR A 93 -2.292 -14.946 1.465 1.00 0.00 C ATOM 0 H THR A 93 -3.843 -13.513 -0.258 1.00 0.00 H new ATOM 0 HA THR A 93 -2.860 -15.794 -1.828 1.00 0.00 H new ATOM 0 HB THR A 93 -1.101 -15.413 -0.246 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.332 -17.314 1.105 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.503 -15.185 2.178 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.281 -13.876 1.257 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.258 -15.224 1.886 1.00 0.00 H new ATOM 1241 N LYS A 94 -5.229 -15.372 0.406 1.00 0.00 N ATOM 1242 CA LYS A 94 -6.497 -15.897 0.898 1.00 0.00 C ATOM 1243 C LYS A 94 -7.600 -14.850 0.785 1.00 0.00 C ATOM 1244 O LYS A 94 -7.357 -13.646 0.868 1.00 0.00 O ATOM 1245 CB LYS A 94 -6.356 -16.350 2.353 1.00 0.00 C ATOM 1246 CG LYS A 94 -6.228 -15.200 3.338 1.00 0.00 C ATOM 1247 CD LYS A 94 -5.497 -15.626 4.600 1.00 0.00 C ATOM 1248 CE LYS A 94 -6.445 -16.261 5.606 1.00 0.00 C ATOM 1249 NZ LYS A 94 -6.770 -17.669 5.249 1.00 0.00 N ATOM 0 H LYS A 94 -4.998 -14.440 0.749 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.769 -16.754 0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.223 -16.954 2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.480 -16.993 2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.693 -14.375 2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.220 -14.830 3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.709 -16.334 4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.013 -14.760 5.051 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.994 -16.233 6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.364 -15.678 5.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.975 -18.208 6.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.602 -17.686 4.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.960 -18.098 4.757 1.00 0.00 H new ATOM 1263 N PRO A 95 -8.843 -15.316 0.592 1.00 0.00 N ATOM 1264 CA PRO A 95 -10.008 -14.436 0.466 1.00 0.00 C ATOM 1265 C PRO A 95 -10.364 -13.752 1.782 1.00 0.00 C ATOM 1266 O PRO A 95 -10.506 -14.407 2.814 1.00 0.00 O ATOM 1267 CB PRO A 95 -11.128 -15.388 0.039 1.00 0.00 C ATOM 1268 CG PRO A 95 -10.708 -16.722 0.555 1.00 0.00 C ATOM 1269 CD PRO A 95 -9.206 -16.739 0.483 1.00 0.00 C ATOM 0 HA PRO A 95 -9.829 -13.623 -0.238 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.087 -15.085 0.459 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.245 -15.401 -1.045 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.051 -16.870 1.579 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.137 -17.525 -0.044 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.772 -17.328 1.291 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.853 -17.173 -0.453 1.00 0.00 H new ATOM 1277 N GLY A 96 -10.506 -12.431 1.738 1.00 0.00 N ATOM 1278 CA GLY A 96 -10.844 -11.681 2.934 1.00 0.00 C ATOM 1279 C GLY A 96 -10.948 -10.191 2.673 1.00 0.00 C ATOM 1280 O GLY A 96 -11.848 -9.740 1.967 1.00 0.00 O ATOM 0 H GLY A 96 -10.393 -11.867 0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.792 -12.044 3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.088 -11.861 3.698 1.00 0.00 H new ATOM 1284 N GLU A 97 -10.025 -9.426 3.247 1.00 0.00 N ATOM 1285 CA GLU A 97 -10.019 -7.978 3.075 1.00 0.00 C ATOM 1286 C GLU A 97 -8.604 -7.421 3.203 1.00 0.00 C ATOM 1287 O GLU A 97 -7.836 -7.840 4.068 1.00 0.00 O ATOM 1288 CB GLU A 97 -10.935 -7.316 4.107 1.00 0.00 C ATOM 1289 CG GLU A 97 -10.251 -7.030 5.433 1.00 0.00 C ATOM 1290 CD GLU A 97 -11.236 -6.854 6.572 1.00 0.00 C ATOM 1291 OE1 GLU A 97 -12.417 -7.221 6.396 1.00 0.00 O ATOM 1292 OE2 GLU A 97 -10.827 -6.349 7.639 1.00 0.00 O ATOM 0 H GLU A 97 -9.272 -9.784 3.835 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.390 -7.755 2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.316 -6.381 3.695 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -11.796 -7.961 4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -9.570 -7.847 5.670 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -9.646 -6.128 5.338 1.00 0.00 H new ATOM 1299 N TYR A 98 -8.268 -6.474 2.334 1.00 0.00 N ATOM 1300 CA TYR A 98 -6.945 -5.860 2.346 1.00 0.00 C ATOM 1301 C TYR A 98 -7.050 -4.340 2.414 1.00 0.00 C ATOM 1302 O TYR A 98 -7.530 -3.697 1.480 1.00 0.00 O ATOM 1303 CB TYR A 98 -6.157 -6.273 1.102 1.00 0.00 C ATOM 1304 CG TYR A 98 -5.908 -7.762 1.009 1.00 0.00 C ATOM 1305 CD1 TYR A 98 -6.841 -8.606 0.420 1.00 0.00 C ATOM 1306 CD2 TYR A 98 -4.741 -8.324 1.511 1.00 0.00 C ATOM 1307 CE1 TYR A 98 -6.618 -9.967 0.333 1.00 0.00 C ATOM 1308 CE2 TYR A 98 -4.509 -9.683 1.428 1.00 0.00 C ATOM 1309 CZ TYR A 98 -5.450 -10.500 0.838 1.00 0.00 C ATOM 1310 OH TYR A 98 -5.224 -11.855 0.754 1.00 0.00 O ATOM 0 H TYR A 98 -8.893 -6.115 1.613 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.418 -6.209 3.234 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -6.699 -5.948 0.214 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -5.199 -5.752 1.099 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.756 -8.192 0.023 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -4.002 -7.687 1.974 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.354 -10.610 -0.128 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -3.596 -10.103 1.823 1.00 0.00 H new ATOM 0 HH TYR A 98 -4.755 -12.159 1.559 1.00 0.00 H new ATOM 1320 N PHE A 99 -6.597 -3.771 3.527 1.00 0.00 N ATOM 1321 CA PHE A 99 -6.640 -2.326 3.719 1.00 0.00 C ATOM 1322 C PHE A 99 -5.419 -1.658 3.093 1.00 0.00 C ATOM 1323 O PHE A 99 -4.280 -1.954 3.457 1.00 0.00 O ATOM 1324 CB PHE A 99 -6.711 -1.990 5.210 1.00 0.00 C ATOM 1325 CG PHE A 99 -8.080 -2.172 5.800 1.00 0.00 C ATOM 1326 CD1 PHE A 99 -8.689 -3.417 5.802 1.00 0.00 C ATOM 1327 CD2 PHE A 99 -8.758 -1.098 6.354 1.00 0.00 C ATOM 1328 CE1 PHE A 99 -9.949 -3.586 6.344 1.00 0.00 C ATOM 1329 CE2 PHE A 99 -10.018 -1.261 6.898 1.00 0.00 C ATOM 1330 CZ PHE A 99 -10.614 -2.508 6.894 1.00 0.00 C ATOM 0 H PHE A 99 -6.196 -4.289 4.309 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.534 -1.945 3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.004 -2.620 5.750 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.395 -0.957 5.357 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.173 -4.264 5.375 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.296 -0.122 6.361 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.413 -4.561 6.337 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.536 -0.415 7.326 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.598 -2.639 7.320 1.00 0.00 H new ATOM 1340 N VAL A 100 -5.664 -0.756 2.148 1.00 0.00 N ATOM 1341 CA VAL A 100 -4.586 -0.045 1.472 1.00 0.00 C ATOM 1342 C VAL A 100 -4.344 1.320 2.107 1.00 0.00 C ATOM 1343 O VAL A 100 -5.088 2.269 1.864 1.00 0.00 O ATOM 1344 CB VAL A 100 -4.892 0.145 -0.026 1.00 0.00 C ATOM 1345 CG1 VAL A 100 -3.796 0.960 -0.696 1.00 0.00 C ATOM 1346 CG2 VAL A 100 -5.059 -1.204 -0.710 1.00 0.00 C ATOM 0 H VAL A 100 -6.600 -0.500 1.833 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.689 -0.656 1.578 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.829 0.694 -0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.029 1.084 -1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.729 1.939 -0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.843 0.442 -0.593 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.275 -1.052 -1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.140 -1.781 -0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.882 -1.748 -0.246 1.00 0.00 H new ATOM 1356 N ASN A 101 -3.298 1.410 2.921 1.00 0.00 N ATOM 1357 CA ASN A 101 -2.958 2.660 3.592 1.00 0.00 C ATOM 1358 C ASN A 101 -2.205 3.595 2.651 1.00 0.00 C ATOM 1359 O ASN A 101 -1.004 3.437 2.432 1.00 0.00 O ATOM 1360 CB ASN A 101 -2.112 2.381 4.836 1.00 0.00 C ATOM 1361 CG ASN A 101 -2.873 1.601 5.890 1.00 0.00 C ATOM 1362 OD1 ASN A 101 -3.286 2.154 6.910 1.00 0.00 O ATOM 1363 ND2 ASN A 101 -3.061 0.309 5.649 1.00 0.00 N ATOM 0 H ASN A 101 -2.671 0.633 3.132 1.00 0.00 H new ATOM 0 HA ASN A 101 -3.886 3.146 3.893 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.221 1.823 4.548 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.773 3.326 5.261 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.565 -0.267 6.323 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -2.701 -0.107 4.790 1.00 0.00 H new ATOM 1370 N ILE A 102 -2.920 4.569 2.097 1.00 0.00 N ATOM 1371 CA ILE A 102 -2.319 5.530 1.181 1.00 0.00 C ATOM 1372 C ILE A 102 -2.026 6.851 1.884 1.00 0.00 C ATOM 1373 O ILE A 102 -2.942 7.584 2.260 1.00 0.00 O ATOM 1374 CB ILE A 102 -3.231 5.799 -0.031 1.00 0.00 C ATOM 1375 CG1 ILE A 102 -3.759 4.481 -0.602 1.00 0.00 C ATOM 1376 CG2 ILE A 102 -2.479 6.580 -1.098 1.00 0.00 C ATOM 1377 CD1 ILE A 102 -4.843 4.663 -1.641 1.00 0.00 C ATOM 0 H ILE A 102 -3.915 4.713 2.267 1.00 0.00 H new ATOM 0 HA ILE A 102 -1.384 5.091 0.833 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.080 6.397 0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.931 3.929 -1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.148 3.871 0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -3.137 6.762 -1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.147 7.533 -0.685 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.613 6.006 -1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.169 3.687 -2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.689 5.187 -1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.453 5.246 -2.475 1.00 0.00 H new ATOM 1389 N LEU A 103 -0.744 7.150 2.058 1.00 0.00 N ATOM 1390 CA LEU A 103 -0.328 8.385 2.715 1.00 0.00 C ATOM 1391 C LEU A 103 0.728 9.113 1.889 1.00 0.00 C ATOM 1392 O LEU A 103 1.689 8.505 1.418 1.00 0.00 O ATOM 1393 CB LEU A 103 0.218 8.084 4.112 1.00 0.00 C ATOM 1394 CG LEU A 103 0.852 6.705 4.301 1.00 0.00 C ATOM 1395 CD1 LEU A 103 2.336 6.750 3.971 1.00 0.00 C ATOM 1396 CD2 LEU A 103 0.635 6.210 5.724 1.00 0.00 C ATOM 0 H LEU A 103 0.026 6.555 1.753 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.201 9.031 2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.962 8.841 4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.596 8.189 4.829 1.00 0.00 H new ATOM 0 HG LEU A 103 0.370 6.007 3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.770 5.760 4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.469 7.061 2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.834 7.461 4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.092 5.228 5.841 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.091 6.909 6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.434 6.139 5.925 1.00 0.00 H new ATOM 1408 N PHE A 104 0.544 10.418 1.720 1.00 0.00 N ATOM 1409 CA PHE A 104 1.481 11.229 0.952 1.00 0.00 C ATOM 1410 C PHE A 104 2.397 12.025 1.878 1.00 0.00 C ATOM 1411 O PHE A 104 1.951 12.934 2.577 1.00 0.00 O ATOM 1412 CB PHE A 104 0.724 12.181 0.024 1.00 0.00 C ATOM 1413 CG PHE A 104 1.562 12.712 -1.103 1.00 0.00 C ATOM 1414 CD1 PHE A 104 2.213 11.846 -1.967 1.00 0.00 C ATOM 1415 CD2 PHE A 104 1.699 14.077 -1.299 1.00 0.00 C ATOM 1416 CE1 PHE A 104 2.985 12.332 -3.006 1.00 0.00 C ATOM 1417 CE2 PHE A 104 2.469 14.568 -2.337 1.00 0.00 C ATOM 1418 CZ PHE A 104 3.114 13.694 -3.190 1.00 0.00 C ATOM 0 H PHE A 104 -0.246 10.937 2.105 1.00 0.00 H new ATOM 0 HA PHE A 104 2.095 10.558 0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.140 11.661 -0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.343 13.018 0.608 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.116 10.779 -1.827 1.00 0.00 H new ATOM 0 HD2 PHE A 104 1.199 14.765 -0.633 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.487 11.647 -3.673 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.566 15.634 -2.481 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.718 14.076 -4.000 1.00 0.00 H new ATOM 1428 N GLU A 105 3.679 11.673 1.878 1.00 0.00 N ATOM 1429 CA GLU A 105 4.657 12.354 2.719 1.00 0.00 C ATOM 1430 C GLU A 105 4.258 12.276 4.189 1.00 0.00 C ATOM 1431 O GLU A 105 4.367 13.257 4.925 1.00 0.00 O ATOM 1432 CB GLU A 105 4.798 13.817 2.293 1.00 0.00 C ATOM 1433 CG GLU A 105 5.591 14.004 1.011 1.00 0.00 C ATOM 1434 CD GLU A 105 7.083 14.121 1.259 1.00 0.00 C ATOM 1435 OE1 GLU A 105 7.585 13.448 2.183 1.00 0.00 O ATOM 1436 OE2 GLU A 105 7.747 14.885 0.528 1.00 0.00 O ATOM 0 H GLU A 105 4.064 10.921 1.306 1.00 0.00 H new ATOM 0 HA GLU A 105 5.617 11.853 2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.804 14.246 2.161 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.282 14.375 3.094 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.402 13.162 0.345 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.240 14.900 0.499 1.00 0.00 H new ATOM 1443 N GLU A 106 3.794 11.103 4.609 1.00 0.00 N ATOM 1444 CA GLU A 106 3.376 10.899 5.992 1.00 0.00 C ATOM 1445 C GLU A 106 2.038 11.580 6.263 1.00 0.00 C ATOM 1446 O GLU A 106 1.750 11.981 7.390 1.00 0.00 O ATOM 1447 CB GLU A 106 4.439 11.436 6.953 1.00 0.00 C ATOM 1448 CG GLU A 106 5.863 11.148 6.509 1.00 0.00 C ATOM 1449 CD GLU A 106 6.846 11.150 7.664 1.00 0.00 C ATOM 1450 OE1 GLU A 106 6.929 12.177 8.370 1.00 0.00 O ATOM 1451 OE2 GLU A 106 7.531 10.125 7.862 1.00 0.00 O ATOM 0 H GLU A 106 3.698 10.281 4.013 1.00 0.00 H new ATOM 0 HA GLU A 106 3.257 9.828 6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.311 12.513 7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.279 10.999 7.939 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.895 10.179 6.011 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.169 11.894 5.775 1.00 0.00 H new ATOM 1458 N VAL A 107 1.224 11.708 5.220 1.00 0.00 N ATOM 1459 CA VAL A 107 -0.084 12.340 5.344 1.00 0.00 C ATOM 1460 C VAL A 107 -1.177 11.464 4.742 1.00 0.00 C ATOM 1461 O VAL A 107 -1.299 11.356 3.521 1.00 0.00 O ATOM 1462 CB VAL A 107 -0.109 13.718 4.656 1.00 0.00 C ATOM 1463 CG1 VAL A 107 -1.363 14.486 5.045 1.00 0.00 C ATOM 1464 CG2 VAL A 107 1.141 14.511 5.007 1.00 0.00 C ATOM 0 H VAL A 107 1.447 11.382 4.280 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.273 12.471 6.410 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.125 13.566 3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.363 15.457 4.550 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.244 13.922 4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.381 14.630 6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.107 15.482 4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.189 14.655 6.086 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.024 13.965 4.674 1.00 0.00 H new ATOM 1474 N HIS A 108 -1.971 10.840 5.607 1.00 0.00 N ATOM 1475 CA HIS A 108 -3.056 9.973 5.160 1.00 0.00 C ATOM 1476 C HIS A 108 -4.025 10.735 4.261 1.00 0.00 C ATOM 1477 O HIS A 108 -4.515 11.805 4.627 1.00 0.00 O ATOM 1478 CB HIS A 108 -3.803 9.396 6.363 1.00 0.00 C ATOM 1479 CG HIS A 108 -3.256 8.084 6.835 1.00 0.00 C ATOM 1480 ND1 HIS A 108 -3.917 6.887 6.660 1.00 0.00 N ATOM 1481 CD2 HIS A 108 -2.103 7.786 7.477 1.00 0.00 C ATOM 1482 CE1 HIS A 108 -3.195 5.909 7.176 1.00 0.00 C ATOM 1483 NE2 HIS A 108 -2.088 6.428 7.678 1.00 0.00 N ATOM 0 H HIS A 108 -1.884 10.918 6.620 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.622 9.155 4.585 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -3.763 10.113 7.183 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.853 9.269 6.101 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -1.337 8.486 7.776 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.463 4.863 7.186 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -1.344 5.905 8.140 1.00 0.00 H new ATOM 1492 N ILE A 109 -4.297 10.179 3.086 1.00 0.00 N ATOM 1493 CA ILE A 109 -5.207 10.806 2.136 1.00 0.00 C ATOM 1494 C ILE A 109 -6.660 10.616 2.560 1.00 0.00 C ATOM 1495 O ILE A 109 -7.015 9.647 3.230 1.00 0.00 O ATOM 1496 CB ILE A 109 -5.020 10.238 0.717 1.00 0.00 C ATOM 1497 CG1 ILE A 109 -5.476 8.778 0.664 1.00 0.00 C ATOM 1498 CG2 ILE A 109 -3.566 10.360 0.285 1.00 0.00 C ATOM 1499 CD1 ILE A 109 -5.825 8.304 -0.729 1.00 0.00 C ATOM 0 H ILE A 109 -3.900 9.295 2.769 1.00 0.00 H new ATOM 0 HA ILE A 109 -4.969 11.870 2.126 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.634 10.816 0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.686 8.144 1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.345 8.654 1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -3.450 9.954 -0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.272 11.410 0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.933 9.804 0.976 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -6.140 7.261 -0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.636 8.913 -1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -4.951 8.396 -1.374 1.00 0.00 H new ATOM 1511 N PRO A 110 -7.521 11.563 2.159 1.00 0.00 N ATOM 1512 CA PRO A 110 -8.950 11.522 2.484 1.00 0.00 C ATOM 1513 C PRO A 110 -9.681 10.406 1.745 1.00 0.00 C ATOM 1514 O PRO A 110 -10.304 10.638 0.710 1.00 0.00 O ATOM 1515 CB PRO A 110 -9.458 12.890 2.024 1.00 0.00 C ATOM 1516 CG PRO A 110 -8.503 13.311 0.961 1.00 0.00 C ATOM 1517 CD PRO A 110 -7.167 12.747 1.358 1.00 0.00 C ATOM 0 HA PRO A 110 -9.122 11.322 3.542 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.476 12.825 1.639 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.474 13.604 2.848 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.812 12.933 -0.013 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.460 14.397 0.883 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.569 12.479 0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.584 13.464 1.936 1.00 0.00 H new ATOM 1525 N GLY A 111 -9.599 9.193 2.283 1.00 0.00 N ATOM 1526 CA GLY A 111 -10.258 8.059 1.660 1.00 0.00 C ATOM 1527 C GLY A 111 -9.602 6.740 2.018 1.00 0.00 C ATOM 1528 O GLY A 111 -10.173 5.674 1.789 1.00 0.00 O ATOM 0 H GLY A 111 -9.088 8.975 3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -11.304 8.037 1.967 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.246 8.185 0.577 1.00 0.00 H new ATOM 1532 N SER A 112 -8.399 6.811 2.579 1.00 0.00 N ATOM 1533 CA SER A 112 -7.663 5.613 2.964 1.00 0.00 C ATOM 1534 C SER A 112 -7.742 5.387 4.470 1.00 0.00 C ATOM 1535 O SER A 112 -7.949 6.315 5.253 1.00 0.00 O ATOM 1536 CB SER A 112 -6.200 5.726 2.529 1.00 0.00 C ATOM 1537 OG SER A 112 -5.402 6.276 3.563 1.00 0.00 O ATOM 0 H SER A 112 -7.913 7.686 2.777 1.00 0.00 H new ATOM 0 HA SER A 112 -8.119 4.759 2.462 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.821 4.741 2.258 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.129 6.351 1.639 1.00 0.00 H new ATOM 0 HG SER A 112 -4.600 6.685 3.175 1.00 0.00 H new ATOM 1543 N PRO A 113 -7.573 4.124 4.888 1.00 0.00 N ATOM 1544 CA PRO A 113 -7.326 3.011 3.966 1.00 0.00 C ATOM 1545 C PRO A 113 -8.552 2.673 3.125 1.00 0.00 C ATOM 1546 O PRO A 113 -9.638 3.210 3.347 1.00 0.00 O ATOM 1547 CB PRO A 113 -6.979 1.848 4.898 1.00 0.00 C ATOM 1548 CG PRO A 113 -7.645 2.184 6.187 1.00 0.00 C ATOM 1549 CD PRO A 113 -7.610 3.684 6.293 1.00 0.00 C ATOM 0 HA PRO A 113 -6.543 3.245 3.245 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.342 0.900 4.500 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -5.901 1.749 5.023 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.671 1.815 6.204 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.126 1.721 7.027 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.487 4.071 6.812 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.735 4.028 6.845 1.00 0.00 H new ATOM 1557 N PHE A 114 -8.372 1.779 2.158 1.00 0.00 N ATOM 1558 CA PHE A 114 -9.464 1.369 1.283 1.00 0.00 C ATOM 1559 C PHE A 114 -9.677 -0.140 1.349 1.00 0.00 C ATOM 1560 O PHE A 114 -8.992 -0.906 0.671 1.00 0.00 O ATOM 1561 CB PHE A 114 -9.177 1.792 -0.160 1.00 0.00 C ATOM 1562 CG PHE A 114 -9.302 3.272 -0.387 1.00 0.00 C ATOM 1563 CD1 PHE A 114 -8.283 4.132 -0.011 1.00 0.00 C ATOM 1564 CD2 PHE A 114 -10.438 3.802 -0.975 1.00 0.00 C ATOM 1565 CE1 PHE A 114 -8.395 5.494 -0.219 1.00 0.00 C ATOM 1566 CE2 PHE A 114 -10.556 5.163 -1.186 1.00 0.00 C ATOM 1567 CZ PHE A 114 -9.533 6.010 -0.806 1.00 0.00 C ATOM 0 H PHE A 114 -7.480 1.325 1.961 1.00 0.00 H new ATOM 0 HA PHE A 114 -10.374 1.862 1.625 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -8.170 1.475 -0.430 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.864 1.271 -0.827 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -7.391 3.734 0.450 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -11.241 3.144 -1.272 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.593 6.154 0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -11.447 5.564 -1.647 1.00 0.00 H new ATOM 0 HZ PHE A 114 -9.623 7.074 -0.968 1.00 0.00 H new ATOM 1577 N LYS A 115 -10.632 -0.561 2.172 1.00 0.00 N ATOM 1578 CA LYS A 115 -10.938 -1.978 2.328 1.00 0.00 C ATOM 1579 C LYS A 115 -11.313 -2.605 0.989 1.00 0.00 C ATOM 1580 O LYS A 115 -12.291 -2.205 0.359 1.00 0.00 O ATOM 1581 CB LYS A 115 -12.079 -2.167 3.330 1.00 0.00 C ATOM 1582 CG LYS A 115 -12.283 -3.611 3.755 1.00 0.00 C ATOM 1583 CD LYS A 115 -13.717 -3.869 4.183 1.00 0.00 C ATOM 1584 CE LYS A 115 -14.083 -3.063 5.420 1.00 0.00 C ATOM 1585 NZ LYS A 115 -15.363 -3.526 6.025 1.00 0.00 N ATOM 0 H LYS A 115 -11.207 0.060 2.741 1.00 0.00 H new ATOM 0 HA LYS A 115 -10.045 -2.477 2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -11.879 -1.562 4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.003 -1.793 2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -12.024 -4.274 2.930 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -11.609 -3.848 4.578 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -14.393 -3.613 3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -13.852 -4.931 4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -13.283 -3.144 6.156 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -14.167 -2.009 5.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -15.577 -2.952 6.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -16.131 -3.425 5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -15.275 -4.525 6.301 1.00 0.00 H new ATOM 1599 N ALA A 116 -10.530 -3.590 0.562 1.00 0.00 N ATOM 1600 CA ALA A 116 -10.782 -4.274 -0.700 1.00 0.00 C ATOM 1601 C ALA A 116 -11.230 -5.712 -0.465 1.00 0.00 C ATOM 1602 O ALA A 116 -10.417 -6.580 -0.145 1.00 0.00 O ATOM 1603 CB ALA A 116 -9.539 -4.242 -1.576 1.00 0.00 C ATOM 0 H ALA A 116 -9.716 -3.932 1.072 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.588 -3.750 -1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.742 -4.757 -2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.265 -3.207 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.718 -4.739 -1.060 1.00 0.00 H new ATOM 1609 N ASP A 117 -12.525 -5.958 -0.625 1.00 0.00 N ATOM 1610 CA ASP A 117 -13.081 -7.292 -0.430 1.00 0.00 C ATOM 1611 C ASP A 117 -12.635 -8.234 -1.544 1.00 0.00 C ATOM 1612 O ASP A 117 -13.043 -8.085 -2.697 1.00 0.00 O ATOM 1613 CB ASP A 117 -14.608 -7.230 -0.378 1.00 0.00 C ATOM 1614 CG ASP A 117 -15.253 -8.561 -0.709 1.00 0.00 C ATOM 1615 OD1 ASP A 117 -15.297 -9.437 0.180 1.00 0.00 O ATOM 1616 OD2 ASP A 117 -15.715 -8.727 -1.857 1.00 0.00 O ATOM 0 H ASP A 117 -13.210 -5.250 -0.890 1.00 0.00 H new ATOM 0 HA ASP A 117 -12.709 -7.678 0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -14.922 -6.915 0.617 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -14.962 -6.474 -1.079 1.00 0.00 H new ATOM 1621 N ILE A 118 -11.796 -9.203 -1.193 1.00 0.00 N ATOM 1622 CA ILE A 118 -11.296 -10.168 -2.164 1.00 0.00 C ATOM 1623 C ILE A 118 -12.136 -11.441 -2.156 1.00 0.00 C ATOM 1624 O ILE A 118 -12.694 -11.822 -1.128 1.00 0.00 O ATOM 1625 CB ILE A 118 -9.826 -10.535 -1.886 1.00 0.00 C ATOM 1626 CG1 ILE A 118 -8.929 -9.308 -2.063 1.00 0.00 C ATOM 1627 CG2 ILE A 118 -9.379 -11.662 -2.805 1.00 0.00 C ATOM 1628 CD1 ILE A 118 -8.832 -8.833 -3.496 1.00 0.00 C ATOM 0 H ILE A 118 -11.449 -9.340 -0.244 1.00 0.00 H new ATOM 0 HA ILE A 118 -11.366 -9.696 -3.144 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.741 -10.878 -0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -9.311 -8.496 -1.445 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -7.929 -9.543 -1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -8.338 -11.910 -2.597 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -10.003 -12.540 -2.634 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -9.476 -11.345 -3.843 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -8.181 -7.961 -3.547 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.421 -9.629 -4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.825 -8.566 -3.859 1.00 0.00 H new ATOM 1640 N GLU A 119 -12.220 -12.095 -3.311 1.00 0.00 N ATOM 1641 CA GLU A 119 -12.991 -13.326 -3.436 1.00 0.00 C ATOM 1642 C GLU A 119 -12.162 -14.422 -4.099 1.00 0.00 C ATOM 1643 O GLU A 119 -11.119 -14.152 -4.694 1.00 0.00 O ATOM 1644 CB GLU A 119 -14.266 -13.075 -4.245 1.00 0.00 C ATOM 1645 CG GLU A 119 -15.136 -11.964 -3.681 1.00 0.00 C ATOM 1646 CD GLU A 119 -15.964 -12.418 -2.494 1.00 0.00 C ATOM 1647 OE1 GLU A 119 -16.808 -13.321 -2.670 1.00 0.00 O ATOM 1648 OE2 GLU A 119 -15.767 -11.868 -1.390 1.00 0.00 O ATOM 0 H GLU A 119 -11.764 -11.793 -4.172 1.00 0.00 H new ATOM 0 HA GLU A 119 -13.264 -13.657 -2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.992 -12.826 -5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -14.848 -13.996 -4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -14.503 -11.129 -3.380 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -15.800 -11.595 -4.463 1.00 0.00 H new ATOM 1655 N MET A 120 -12.635 -15.660 -3.991 1.00 0.00 N ATOM 1656 CA MET A 120 -11.938 -16.797 -4.581 1.00 0.00 C ATOM 1657 C MET A 120 -12.110 -16.815 -6.096 1.00 0.00 C ATOM 1658 O MET A 120 -13.177 -16.505 -6.627 1.00 0.00 O ATOM 1659 CB MET A 120 -12.456 -18.106 -3.982 1.00 0.00 C ATOM 1660 CG MET A 120 -11.749 -18.508 -2.697 1.00 0.00 C ATOM 1661 SD MET A 120 -11.942 -20.260 -2.318 1.00 0.00 S ATOM 1662 CE MET A 120 -10.389 -20.600 -1.491 1.00 0.00 C ATOM 0 H MET A 120 -13.497 -15.901 -3.501 1.00 0.00 H new ATOM 0 HA MET A 120 -10.876 -16.697 -4.355 1.00 0.00 H new ATOM 0 HB2 MET A 120 -13.523 -18.008 -3.784 1.00 0.00 H new ATOM 0 HB3 MET A 120 -12.339 -18.903 -4.716 1.00 0.00 H new ATOM 0 HG2 MET A 120 -10.688 -18.273 -2.782 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.141 -17.916 -1.870 1.00 0.00 H new ATOM 0 HE1 MET A 120 -10.357 -21.648 -1.194 1.00 0.00 H new ATOM 0 HE2 MET A 120 -9.562 -20.389 -2.169 1.00 0.00 H new ATOM 0 HE3 MET A 120 -10.302 -19.970 -0.606 1.00 0.00 H new ATOM 1672 N PRO A 121 -11.037 -17.185 -6.811 1.00 0.00 N ATOM 1673 CA PRO A 121 -11.046 -17.252 -8.275 1.00 0.00 C ATOM 1674 C PRO A 121 -11.911 -18.394 -8.798 1.00 0.00 C ATOM 1675 O PRO A 121 -12.373 -19.237 -8.030 1.00 0.00 O ATOM 1676 CB PRO A 121 -9.576 -17.489 -8.628 1.00 0.00 C ATOM 1677 CG PRO A 121 -8.998 -18.145 -7.422 1.00 0.00 C ATOM 1678 CD PRO A 121 -9.733 -17.568 -6.244 1.00 0.00 C ATOM 0 HA PRO A 121 -11.466 -16.351 -8.722 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -9.478 -18.123 -9.509 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -9.066 -16.552 -8.851 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.123 -19.227 -7.468 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.928 -17.951 -7.347 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -9.842 -18.298 -5.442 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.209 -16.709 -5.825 1.00 0.00 H new