USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 531 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 39 SER OG : rot 71:sc= -1.6! USER MOD Set 1.2: A 43 HIS : no HE2:sc= -0.409 K(o=-2,f=-2.8) USER MOD Single : A 35 SER OG : rot 26:sc= 1.23 USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= 0.9 (180deg=0.836) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -76:sc= 0.049 USER MOD Single : A 53 SER OG : rot -26:sc= 0.573 USER MOD Single : A 56 LYS NZ :NH3+ 154:sc= -0.175 (180deg=-0.924) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -4.88! C(o=-4.9!,f=-6.5!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN :FLIP amide:sc=-0.00157 F(o=-1.4!,f=-0.0016) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0468) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.718) USER MOD Single : A 95 THR OG1 : rot -82:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 402 N ASP A 30 9.037 -11.466 -4.447 1.00 0.00 N ATOM 403 CA ASP A 30 8.539 -10.616 -5.563 1.00 0.00 C ATOM 404 C ASP A 30 7.158 -10.082 -5.184 1.00 0.00 C ATOM 405 O ASP A 30 6.530 -9.351 -5.927 1.00 0.00 O ATOM 406 CB ASP A 30 8.437 -11.459 -6.839 1.00 0.00 C ATOM 407 CG ASP A 30 9.837 -11.876 -7.296 1.00 0.00 C ATOM 408 OD1 ASP A 30 10.781 -11.187 -6.951 1.00 0.00 O ATOM 409 OD2 ASP A 30 9.942 -12.881 -7.982 1.00 0.00 O ATOM 0 HA ASP A 30 9.223 -9.786 -5.741 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.826 -12.343 -6.655 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.943 -10.888 -7.625 1.00 0.00 H new ATOM 414 N VAL A 31 6.684 -10.446 -4.016 1.00 0.00 N ATOM 415 CA VAL A 31 5.343 -9.978 -3.543 1.00 0.00 C ATOM 416 C VAL A 31 5.494 -9.340 -2.166 1.00 0.00 C ATOM 417 O VAL A 31 6.174 -9.857 -1.300 1.00 0.00 O ATOM 418 CB VAL A 31 4.375 -11.162 -3.468 1.00 0.00 C ATOM 419 CG1 VAL A 31 3.097 -10.744 -2.729 1.00 0.00 C ATOM 420 CG2 VAL A 31 4.017 -11.602 -4.890 1.00 0.00 C ATOM 0 H VAL A 31 7.176 -11.055 -3.363 1.00 0.00 H new ATOM 0 HA VAL A 31 4.944 -9.244 -4.243 1.00 0.00 H new ATOM 0 HB VAL A 31 4.846 -11.984 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.412 -11.591 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.350 -10.421 -1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.620 -9.923 -3.263 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.328 -12.445 -4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.545 -10.774 -5.419 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.923 -11.900 -5.417 1.00 0.00 H new ATOM 430 N ALA A 32 4.866 -8.208 -1.966 1.00 0.00 N ATOM 431 CA ALA A 32 4.964 -7.499 -0.654 1.00 0.00 C ATOM 432 C ALA A 32 3.613 -7.526 0.053 1.00 0.00 C ATOM 433 O ALA A 32 2.572 -7.661 -0.564 1.00 0.00 O ATOM 434 CB ALA A 32 5.379 -6.048 -0.901 1.00 0.00 C ATOM 0 H ALA A 32 4.285 -7.741 -2.662 1.00 0.00 H new ATOM 0 HA ALA A 32 5.704 -7.996 -0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.453 -5.523 0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.346 -6.027 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.634 -5.558 -1.528 1.00 0.00 H new ATOM 440 N GLU A 33 3.628 -7.403 1.355 1.00 0.00 N ATOM 441 CA GLU A 33 2.360 -7.426 2.145 1.00 0.00 C ATOM 442 C GLU A 33 2.042 -6.020 2.644 1.00 0.00 C ATOM 443 O GLU A 33 2.832 -5.394 3.328 1.00 0.00 O ATOM 444 CB GLU A 33 2.531 -8.361 3.344 1.00 0.00 C ATOM 445 CG GLU A 33 1.215 -8.441 4.122 1.00 0.00 C ATOM 446 CD GLU A 33 1.364 -9.413 5.294 1.00 0.00 C ATOM 447 OE1 GLU A 33 2.487 -9.785 5.592 1.00 0.00 O ATOM 448 OE2 GLU A 33 0.351 -9.767 5.874 1.00 0.00 O ATOM 0 H GLU A 33 4.475 -7.286 1.911 1.00 0.00 H new ATOM 0 HA GLU A 33 1.545 -7.780 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.826 -9.354 3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.327 -7.996 3.993 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.939 -7.453 4.490 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.412 -8.772 3.463 1.00 0.00 H new ATOM 455 N VAL A 34 0.881 -5.520 2.305 1.00 0.00 N ATOM 456 CA VAL A 34 0.475 -4.153 2.749 1.00 0.00 C ATOM 457 C VAL A 34 -0.894 -4.223 3.422 1.00 0.00 C ATOM 458 O VAL A 34 -1.824 -4.825 2.918 1.00 0.00 O ATOM 459 CB VAL A 34 0.405 -3.218 1.539 1.00 0.00 C ATOM 460 CG1 VAL A 34 -0.251 -1.893 1.949 1.00 0.00 C ATOM 461 CG2 VAL A 34 1.824 -2.949 1.028 1.00 0.00 C ATOM 0 H VAL A 34 0.190 -6.006 1.733 1.00 0.00 H new ATOM 0 HA VAL A 34 1.209 -3.769 3.458 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.187 -3.684 0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.300 -1.229 1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.259 -2.085 2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.339 -1.423 2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.780 -2.283 0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.413 -2.482 1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.290 -3.890 0.736 1.00 0.00 H new ATOM 471 N SER A 35 -1.018 -3.600 4.559 1.00 0.00 N ATOM 472 CA SER A 35 -2.317 -3.603 5.288 1.00 0.00 C ATOM 473 C SER A 35 -2.459 -2.297 6.062 1.00 0.00 C ATOM 474 O SER A 35 -1.504 -1.786 6.620 1.00 0.00 O ATOM 475 CB SER A 35 -2.362 -4.775 6.264 1.00 0.00 C ATOM 476 OG SER A 35 -3.567 -4.709 7.015 1.00 0.00 O ATOM 0 H SER A 35 -0.268 -3.084 5.019 1.00 0.00 H new ATOM 0 HA SER A 35 -3.133 -3.701 4.572 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.309 -5.719 5.721 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.501 -4.742 6.931 1.00 0.00 H new ATOM 0 HG SER A 35 -4.248 -4.229 6.499 1.00 0.00 H new ATOM 482 N LEU A 36 -3.645 -1.749 6.095 1.00 0.00 N ATOM 483 CA LEU A 36 -3.875 -0.465 6.824 1.00 0.00 C ATOM 484 C LEU A 36 -5.087 -0.596 7.736 1.00 0.00 C ATOM 485 O LEU A 36 -6.006 -1.351 7.476 1.00 0.00 O ATOM 486 CB LEU A 36 -4.116 0.660 5.819 1.00 0.00 C ATOM 487 CG LEU A 36 -2.851 0.871 4.952 1.00 0.00 C ATOM 488 CD1 LEU A 36 -2.963 0.070 3.650 1.00 0.00 C ATOM 489 CD2 LEU A 36 -2.695 2.358 4.620 1.00 0.00 C ATOM 0 H LEU A 36 -4.472 -2.139 5.644 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.995 -0.235 7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.967 0.415 5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.365 1.582 6.345 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.981 0.527 5.511 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.068 0.226 3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.063 -0.990 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.838 0.403 3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.804 2.503 4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.571 2.702 4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.599 2.929 5.544 1.00 0.00 H new ATOM 501 N PHE A 37 -5.086 0.142 8.808 1.00 0.00 N ATOM 502 CA PHE A 37 -6.218 0.088 9.771 1.00 0.00 C ATOM 503 C PHE A 37 -6.475 1.478 10.338 1.00 0.00 C ATOM 504 O PHE A 37 -5.624 2.346 10.305 1.00 0.00 O ATOM 505 CB PHE A 37 -5.872 -0.870 10.915 1.00 0.00 C ATOM 506 CG PHE A 37 -4.535 -0.489 11.512 1.00 0.00 C ATOM 507 CD1 PHE A 37 -4.454 0.531 12.469 1.00 0.00 C ATOM 508 CD2 PHE A 37 -3.374 -1.159 11.105 1.00 0.00 C ATOM 509 CE1 PHE A 37 -3.212 0.879 13.018 1.00 0.00 C ATOM 510 CE2 PHE A 37 -2.133 -0.810 11.654 1.00 0.00 C ATOM 511 CZ PHE A 37 -2.054 0.208 12.611 1.00 0.00 C ATOM 0 H PHE A 37 -4.339 0.789 9.061 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.111 -0.265 9.256 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.647 -0.833 11.681 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.838 -1.895 10.546 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.348 1.049 12.784 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.436 -1.945 10.367 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.149 1.665 13.755 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.238 -1.326 11.339 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.098 0.476 13.036 1.00 0.00 H new ATOM 521 N GLY A 38 -7.653 1.686 10.862 1.00 0.00 N ATOM 522 CA GLY A 38 -8.010 3.009 11.455 1.00 0.00 C ATOM 523 C GLY A 38 -9.120 3.673 10.639 1.00 0.00 C ATOM 524 O GLY A 38 -9.269 3.447 9.454 1.00 0.00 O ATOM 0 H GLY A 38 -8.394 0.986 10.905 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.337 2.877 12.486 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.131 3.654 11.479 1.00 0.00 H new ATOM 528 N SER A 39 -9.890 4.504 11.283 1.00 0.00 N ATOM 529 CA SER A 39 -11.001 5.218 10.591 1.00 0.00 C ATOM 530 C SER A 39 -11.904 4.232 9.849 1.00 0.00 C ATOM 531 O SER A 39 -11.818 3.029 10.013 1.00 0.00 O ATOM 532 CB SER A 39 -10.423 6.224 9.596 1.00 0.00 C ATOM 533 OG SER A 39 -11.466 6.715 8.761 1.00 0.00 O ATOM 0 H SER A 39 -9.796 4.723 12.275 1.00 0.00 H new ATOM 0 HA SER A 39 -11.596 5.738 11.342 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.950 7.049 10.129 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.650 5.751 8.991 1.00 0.00 H new ATOM 0 HG SER A 39 -12.054 7.300 9.282 1.00 0.00 H new ATOM 539 N ASP A 40 -12.780 4.750 9.031 1.00 0.00 N ATOM 540 CA ASP A 40 -13.712 3.882 8.267 1.00 0.00 C ATOM 541 C ASP A 40 -13.047 3.401 6.977 1.00 0.00 C ATOM 542 O ASP A 40 -11.916 3.738 6.677 1.00 0.00 O ATOM 543 CB ASP A 40 -14.981 4.671 7.932 1.00 0.00 C ATOM 544 CG ASP A 40 -14.631 5.876 7.053 1.00 0.00 C ATOM 545 OD1 ASP A 40 -13.453 6.102 6.828 1.00 0.00 O ATOM 546 OD2 ASP A 40 -15.549 6.557 6.625 1.00 0.00 O ATOM 0 H ASP A 40 -12.888 5.750 8.860 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.971 3.014 8.873 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.693 4.028 7.415 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.463 5.008 8.850 1.00 0.00 H new ATOM 551 N LYS A 41 -13.747 2.602 6.222 1.00 0.00 N ATOM 552 CA LYS A 41 -13.182 2.072 4.949 1.00 0.00 C ATOM 553 C LYS A 41 -12.884 3.222 3.979 1.00 0.00 C ATOM 554 O LYS A 41 -11.893 3.215 3.273 1.00 0.00 O ATOM 555 CB LYS A 41 -14.204 1.129 4.311 1.00 0.00 C ATOM 556 CG LYS A 41 -13.587 0.470 3.078 1.00 0.00 C ATOM 557 CD LYS A 41 -14.576 -0.528 2.469 1.00 0.00 C ATOM 558 CE LYS A 41 -13.938 -1.195 1.250 1.00 0.00 C ATOM 559 NZ LYS A 41 -14.884 -2.191 0.673 1.00 0.00 N ATOM 0 H LYS A 41 -14.695 2.290 6.434 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.255 1.540 5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.510 0.368 5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.100 1.682 4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.325 1.230 2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.664 -0.041 3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.851 -1.281 3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.494 -0.016 2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.685 -0.443 0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.008 -1.685 1.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.516 -2.532 -0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.986 -2.993 1.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.812 -1.744 0.526 1.00 0.00 H new ATOM 573 N ALA A 42 -13.740 4.205 3.935 1.00 0.00 N ATOM 574 CA ALA A 42 -13.524 5.354 3.006 1.00 0.00 C ATOM 575 C ALA A 42 -12.126 5.944 3.225 1.00 0.00 C ATOM 576 O ALA A 42 -11.424 6.278 2.289 1.00 0.00 O ATOM 577 CB ALA A 42 -14.574 6.429 3.295 1.00 0.00 C ATOM 0 H ALA A 42 -14.584 4.264 4.504 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.612 5.010 1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.425 7.273 2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.571 6.015 3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.475 6.766 4.327 1.00 0.00 H new ATOM 583 N HIS A 43 -11.718 6.072 4.454 1.00 0.00 N ATOM 584 CA HIS A 43 -10.363 6.629 4.743 1.00 0.00 C ATOM 585 C HIS A 43 -9.291 5.654 4.240 1.00 0.00 C ATOM 586 O HIS A 43 -8.287 6.049 3.677 1.00 0.00 O ATOM 587 CB HIS A 43 -10.214 6.827 6.253 1.00 0.00 C ATOM 588 CG HIS A 43 -8.853 7.391 6.560 1.00 0.00 C ATOM 589 ND1 HIS A 43 -8.512 8.704 6.272 1.00 0.00 N ATOM 590 CD2 HIS A 43 -7.737 6.832 7.132 1.00 0.00 C ATOM 591 CE1 HIS A 43 -7.238 8.887 6.665 1.00 0.00 C ATOM 592 NE2 HIS A 43 -6.718 7.778 7.197 1.00 0.00 N ATOM 0 H HIS A 43 -12.264 5.815 5.276 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.242 7.586 4.236 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -10.988 7.501 6.619 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.349 5.876 6.769 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -9.117 9.403 5.841 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -7.661 5.812 7.479 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -6.701 9.818 6.563 1.00 0.00 H new ATOM 600 N LEU A 44 -9.499 4.380 4.444 1.00 0.00 N ATOM 601 CA LEU A 44 -8.502 3.366 3.984 1.00 0.00 C ATOM 602 C LEU A 44 -8.397 3.419 2.458 1.00 0.00 C ATOM 603 O LEU A 44 -7.328 3.311 1.888 1.00 0.00 O ATOM 604 CB LEU A 44 -8.961 1.964 4.404 1.00 0.00 C ATOM 605 CG LEU A 44 -9.003 1.850 5.936 1.00 0.00 C ATOM 606 CD1 LEU A 44 -9.563 0.477 6.335 1.00 0.00 C ATOM 607 CD2 LEU A 44 -7.589 2.023 6.525 1.00 0.00 C ATOM 0 H LEU A 44 -10.320 3.995 4.911 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.533 3.583 4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.948 1.759 3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.283 1.215 3.996 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.647 2.636 6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.592 0.398 7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.571 0.365 5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.924 -0.308 5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.634 1.940 7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.933 1.248 6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.199 3.004 6.252 1.00 0.00 H new ATOM 619 N GLU A 45 -9.508 3.579 1.795 1.00 0.00 N ATOM 620 CA GLU A 45 -9.498 3.640 0.303 1.00 0.00 C ATOM 621 C GLU A 45 -8.656 4.833 -0.160 1.00 0.00 C ATOM 622 O GLU A 45 -7.923 4.755 -1.128 1.00 0.00 O ATOM 623 CB GLU A 45 -10.936 3.811 -0.201 1.00 0.00 C ATOM 624 CG GLU A 45 -11.724 2.527 0.057 1.00 0.00 C ATOM 625 CD GLU A 45 -13.186 2.721 -0.359 1.00 0.00 C ATOM 626 OE1 GLU A 45 -13.513 3.802 -0.821 1.00 0.00 O ATOM 627 OE2 GLU A 45 -13.952 1.784 -0.209 1.00 0.00 O ATOM 0 H GLU A 45 -10.429 3.671 2.223 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.070 2.720 -0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.412 4.650 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.934 4.041 -1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.284 1.701 -0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.669 2.262 1.113 1.00 0.00 H new ATOM 634 N GLY A 46 -8.758 5.936 0.528 1.00 0.00 N ATOM 635 CA GLY A 46 -7.968 7.140 0.138 1.00 0.00 C ATOM 636 C GLY A 46 -6.473 6.822 0.201 1.00 0.00 C ATOM 637 O GLY A 46 -5.724 7.087 -0.723 1.00 0.00 O ATOM 0 H GLY A 46 -9.356 6.057 1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.240 7.454 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.201 7.971 0.804 1.00 0.00 H new ATOM 641 N LYS A 47 -6.037 6.250 1.285 1.00 0.00 N ATOM 642 CA LYS A 47 -4.597 5.899 1.424 1.00 0.00 C ATOM 643 C LYS A 47 -4.234 4.817 0.409 1.00 0.00 C ATOM 644 O LYS A 47 -3.151 4.801 -0.145 1.00 0.00 O ATOM 645 CB LYS A 47 -4.336 5.378 2.839 1.00 0.00 C ATOM 646 CG LYS A 47 -4.528 6.519 3.840 1.00 0.00 C ATOM 647 CD LYS A 47 -4.322 6.008 5.276 1.00 0.00 C ATOM 648 CE LYS A 47 -2.825 5.928 5.598 1.00 0.00 C ATOM 649 NZ LYS A 47 -2.644 5.602 7.039 1.00 0.00 N ATOM 0 H LYS A 47 -6.619 6.008 2.087 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.988 6.785 1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.017 4.559 3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.323 4.981 2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.822 7.321 3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.528 6.939 3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.818 6.674 5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.779 5.025 5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.349 5.167 4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.341 6.876 5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.629 5.548 7.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.084 6.343 7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.092 4.687 7.247 1.00 0.00 H new ATOM 663 N LEU A 48 -5.123 3.893 0.184 1.00 0.00 N ATOM 664 CA LEU A 48 -4.821 2.796 -0.773 1.00 0.00 C ATOM 665 C LEU A 48 -4.602 3.382 -2.176 1.00 0.00 C ATOM 666 O LEU A 48 -3.685 3.015 -2.886 1.00 0.00 O ATOM 667 CB LEU A 48 -5.997 1.800 -0.795 1.00 0.00 C ATOM 668 CG LEU A 48 -5.489 0.385 -1.129 1.00 0.00 C ATOM 669 CD1 LEU A 48 -4.708 0.416 -2.449 1.00 0.00 C ATOM 670 CD2 LEU A 48 -4.572 -0.130 0.011 1.00 0.00 C ATOM 0 H LEU A 48 -6.044 3.850 0.620 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.915 2.276 -0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.497 1.796 0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.735 2.113 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.342 -0.287 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.350 -0.586 -2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.360 0.764 -3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.858 1.092 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.217 -1.131 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.720 0.540 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.134 -0.161 0.944 1.00 0.00 H new ATOM 682 N ALA A 49 -5.442 4.287 -2.580 1.00 0.00 N ATOM 683 CA ALA A 49 -5.289 4.888 -3.934 1.00 0.00 C ATOM 684 C ALA A 49 -3.948 5.622 -4.018 1.00 0.00 C ATOM 685 O ALA A 49 -3.242 5.541 -5.008 1.00 0.00 O ATOM 686 CB ALA A 49 -6.426 5.882 -4.172 1.00 0.00 C ATOM 0 H ALA A 49 -6.228 4.638 -2.034 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.321 4.103 -4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.320 6.326 -5.162 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.382 5.363 -4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.387 6.667 -3.416 1.00 0.00 H new ATOM 692 N GLU A 50 -3.590 6.333 -2.983 1.00 0.00 N ATOM 693 CA GLU A 50 -2.301 7.069 -2.985 1.00 0.00 C ATOM 694 C GLU A 50 -1.146 6.063 -2.923 1.00 0.00 C ATOM 695 O GLU A 50 -0.108 6.247 -3.531 1.00 0.00 O ATOM 696 CB GLU A 50 -2.253 7.983 -1.757 1.00 0.00 C ATOM 697 CG GLU A 50 -1.041 8.898 -1.865 1.00 0.00 C ATOM 698 CD GLU A 50 -1.045 9.910 -0.713 1.00 0.00 C ATOM 699 OE1 GLU A 50 -1.790 9.704 0.231 1.00 0.00 O ATOM 700 OE2 GLU A 50 -0.301 10.873 -0.797 1.00 0.00 O ATOM 0 H GLU A 50 -4.142 6.434 -2.131 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.211 7.666 -3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.166 8.574 -1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.194 7.387 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.125 8.307 -1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.054 9.422 -2.821 1.00 0.00 H new ATOM 707 N TYR A 51 -1.328 5.001 -2.188 1.00 0.00 N ATOM 708 CA TYR A 51 -0.255 3.966 -2.069 1.00 0.00 C ATOM 709 C TYR A 51 0.025 3.364 -3.449 1.00 0.00 C ATOM 710 O TYR A 51 1.160 3.158 -3.835 1.00 0.00 O ATOM 711 CB TYR A 51 -0.732 2.857 -1.114 1.00 0.00 C ATOM 712 CG TYR A 51 -0.417 3.214 0.322 1.00 0.00 C ATOM 713 CD1 TYR A 51 -0.504 4.543 0.762 1.00 0.00 C ATOM 714 CD2 TYR A 51 -0.026 2.209 1.215 1.00 0.00 C ATOM 715 CE1 TYR A 51 -0.203 4.861 2.088 1.00 0.00 C ATOM 716 CE2 TYR A 51 0.276 2.529 2.542 1.00 0.00 C ATOM 717 CZ TYR A 51 0.188 3.857 2.978 1.00 0.00 C ATOM 718 OH TYR A 51 0.489 4.176 4.285 1.00 0.00 O ATOM 0 H TYR A 51 -2.178 4.802 -1.660 1.00 0.00 H new ATOM 0 HA TYR A 51 0.656 4.421 -1.680 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.806 2.708 -1.230 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.250 1.915 -1.374 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.804 5.321 0.075 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.042 1.185 0.878 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.272 5.884 2.426 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.577 1.753 3.230 1.00 0.00 H new ATOM 0 HH TYR A 51 1.377 4.590 4.325 1.00 0.00 H new ATOM 728 N ILE A 52 -1.008 3.074 -4.186 1.00 0.00 N ATOM 729 CA ILE A 52 -0.823 2.482 -5.542 1.00 0.00 C ATOM 730 C ILE A 52 -0.091 3.479 -6.446 1.00 0.00 C ATOM 731 O ILE A 52 0.795 3.122 -7.199 1.00 0.00 O ATOM 732 CB ILE A 52 -2.196 2.162 -6.150 1.00 0.00 C ATOM 733 CG1 ILE A 52 -2.858 1.019 -5.368 1.00 0.00 C ATOM 734 CG2 ILE A 52 -2.021 1.745 -7.615 1.00 0.00 C ATOM 735 CD1 ILE A 52 -4.356 0.972 -5.681 1.00 0.00 C ATOM 0 H ILE A 52 -1.978 3.221 -3.908 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.235 1.568 -5.459 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.829 3.048 -6.095 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.393 0.069 -5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.706 1.163 -4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.995 1.518 -8.047 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.558 2.559 -8.172 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.385 0.861 -7.668 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.819 0.158 -5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.817 1.917 -5.395 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.500 0.807 -6.749 1.00 0.00 H new ATOM 747 N SER A 53 -0.471 4.724 -6.386 1.00 0.00 N ATOM 748 CA SER A 53 0.182 5.753 -7.248 1.00 0.00 C ATOM 749 C SER A 53 1.676 5.845 -6.922 1.00 0.00 C ATOM 750 O SER A 53 2.510 5.952 -7.801 1.00 0.00 O ATOM 751 CB SER A 53 -0.481 7.110 -6.998 1.00 0.00 C ATOM 752 OG SER A 53 -0.347 7.450 -5.623 1.00 0.00 O ATOM 0 H SER A 53 -1.208 5.077 -5.776 1.00 0.00 H new ATOM 0 HA SER A 53 0.067 5.471 -8.295 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.017 7.875 -7.621 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.535 7.070 -7.274 1.00 0.00 H new ATOM 0 HG SER A 53 -0.261 6.632 -5.091 1.00 0.00 H new ATOM 758 N LEU A 54 2.019 5.804 -5.666 1.00 0.00 N ATOM 759 CA LEU A 54 3.460 5.885 -5.281 1.00 0.00 C ATOM 760 C LEU A 54 4.196 4.652 -5.806 1.00 0.00 C ATOM 761 O LEU A 54 5.295 4.736 -6.322 1.00 0.00 O ATOM 762 CB LEU A 54 3.567 5.930 -3.754 1.00 0.00 C ATOM 763 CG LEU A 54 2.990 7.254 -3.233 1.00 0.00 C ATOM 764 CD1 LEU A 54 2.881 7.202 -1.704 1.00 0.00 C ATOM 765 CD2 LEU A 54 3.889 8.436 -3.654 1.00 0.00 C ATOM 0 H LEU A 54 1.366 5.718 -4.887 1.00 0.00 H new ATOM 0 HA LEU A 54 3.906 6.783 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.027 5.090 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.609 5.832 -3.450 1.00 0.00 H new ATOM 0 HG LEU A 54 1.999 7.400 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.471 8.143 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.224 6.382 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.870 7.044 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.466 9.367 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.888 8.298 -3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.948 8.479 -4.742 1.00 0.00 H new ATOM 777 N ALA A 55 3.591 3.507 -5.677 1.00 0.00 N ATOM 778 CA ALA A 55 4.233 2.253 -6.165 1.00 0.00 C ATOM 779 C ALA A 55 4.327 2.286 -7.694 1.00 0.00 C ATOM 780 O ALA A 55 5.284 1.820 -8.283 1.00 0.00 O ATOM 781 CB ALA A 55 3.388 1.053 -5.731 1.00 0.00 C ATOM 0 H ALA A 55 2.672 3.383 -5.252 1.00 0.00 H new ATOM 0 HA ALA A 55 5.235 2.168 -5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.853 0.133 -6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.321 1.030 -4.643 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.388 1.140 -6.155 1.00 0.00 H new ATOM 787 N LYS A 56 3.329 2.830 -8.337 1.00 0.00 N ATOM 788 CA LYS A 56 3.338 2.897 -9.822 1.00 0.00 C ATOM 789 C LYS A 56 4.507 3.769 -10.289 1.00 0.00 C ATOM 790 O LYS A 56 5.218 3.434 -11.217 1.00 0.00 O ATOM 791 CB LYS A 56 2.024 3.517 -10.296 1.00 0.00 C ATOM 792 CG LYS A 56 1.966 3.458 -11.818 1.00 0.00 C ATOM 793 CD LYS A 56 0.637 4.039 -12.310 1.00 0.00 C ATOM 794 CE LYS A 56 0.593 3.987 -13.838 1.00 0.00 C ATOM 795 NZ LYS A 56 0.982 2.625 -14.304 1.00 0.00 N ATOM 0 H LYS A 56 2.504 3.233 -7.892 1.00 0.00 H new ATOM 0 HA LYS A 56 3.448 1.895 -10.236 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.178 2.980 -9.866 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.952 4.550 -9.957 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.798 4.018 -12.245 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.069 2.427 -12.155 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.196 3.474 -11.892 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.528 5.068 -11.967 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.409 4.231 -14.191 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.269 4.732 -14.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.552 2.440 -15.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.017 2.568 -14.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.648 1.916 -13.621 1.00 0.00 H new ATOM 809 N GLN A 57 4.709 4.889 -9.649 1.00 0.00 N ATOM 810 CA GLN A 57 5.831 5.790 -10.046 1.00 0.00 C ATOM 811 C GLN A 57 7.166 5.097 -9.761 1.00 0.00 C ATOM 812 O GLN A 57 8.075 5.109 -10.570 1.00 0.00 O ATOM 813 CB GLN A 57 5.746 7.088 -9.234 1.00 0.00 C ATOM 814 CG GLN A 57 4.511 7.879 -9.668 1.00 0.00 C ATOM 815 CD GLN A 57 4.374 9.147 -8.820 1.00 0.00 C ATOM 816 OE1 GLN A 57 5.332 9.869 -8.618 1.00 0.00 O ATOM 817 NE2 GLN A 57 3.208 9.455 -8.316 1.00 0.00 N ATOM 0 H GLN A 57 4.145 5.220 -8.867 1.00 0.00 H new ATOM 0 HA GLN A 57 5.761 6.017 -11.110 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.690 6.861 -8.169 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.645 7.685 -9.386 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.591 8.144 -10.722 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.618 7.262 -9.561 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.404 8.851 -8.485 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.102 10.300 -7.754 1.00 0.00 H new ATOM 826 N VAL A 58 7.282 4.486 -8.615 1.00 0.00 N ATOM 827 CA VAL A 58 8.545 3.779 -8.261 1.00 0.00 C ATOM 828 C VAL A 58 8.752 2.599 -9.211 1.00 0.00 C ATOM 829 O VAL A 58 9.837 2.373 -9.713 1.00 0.00 O ATOM 830 CB VAL A 58 8.446 3.260 -6.825 1.00 0.00 C ATOM 831 CG1 VAL A 58 9.669 2.401 -6.498 1.00 0.00 C ATOM 832 CG2 VAL A 58 8.381 4.444 -5.860 1.00 0.00 C ATOM 0 H VAL A 58 6.552 4.446 -7.904 1.00 0.00 H new ATOM 0 HA VAL A 58 9.386 4.468 -8.347 1.00 0.00 H new ATOM 0 HB VAL A 58 7.545 2.655 -6.722 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.593 2.034 -5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.713 1.555 -7.184 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.573 3.001 -6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.310 4.076 -4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.281 5.050 -5.966 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.505 5.052 -6.088 1.00 0.00 H new ATOM 842 N TYR A 59 7.712 1.840 -9.452 1.00 0.00 N ATOM 843 CA TYR A 59 7.820 0.657 -10.363 1.00 0.00 C ATOM 844 C TYR A 59 6.771 0.764 -11.473 1.00 0.00 C ATOM 845 O TYR A 59 5.594 0.953 -11.226 1.00 0.00 O ATOM 846 CB TYR A 59 7.605 -0.625 -9.560 1.00 0.00 C ATOM 847 CG TYR A 59 7.729 -1.815 -10.482 1.00 0.00 C ATOM 848 CD1 TYR A 59 8.990 -2.217 -10.935 1.00 0.00 C ATOM 849 CD2 TYR A 59 6.586 -2.511 -10.888 1.00 0.00 C ATOM 850 CE1 TYR A 59 9.108 -3.316 -11.794 1.00 0.00 C ATOM 851 CE2 TYR A 59 6.702 -3.610 -11.747 1.00 0.00 C ATOM 852 CZ TYR A 59 7.964 -4.012 -12.200 1.00 0.00 C ATOM 853 OH TYR A 59 8.081 -5.096 -13.048 1.00 0.00 O ATOM 0 H TYR A 59 6.785 1.990 -9.054 1.00 0.00 H new ATOM 0 HA TYR A 59 8.812 0.634 -10.815 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.340 -0.693 -8.758 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.621 -0.614 -9.091 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.873 -1.679 -10.622 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.613 -2.200 -10.538 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.082 -3.627 -12.143 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.819 -4.147 -12.060 1.00 0.00 H new ATOM 0 HH TYR A 59 7.192 -5.466 -13.230 1.00 0.00 H new ATOM 863 N ALA A 60 7.207 0.653 -12.697 1.00 0.00 N ATOM 864 CA ALA A 60 6.279 0.759 -13.858 1.00 0.00 C ATOM 865 C ALA A 60 5.292 -0.413 -13.876 1.00 0.00 C ATOM 866 O ALA A 60 5.593 -1.513 -13.448 1.00 0.00 O ATOM 867 CB ALA A 60 7.093 0.759 -15.151 1.00 0.00 C ATOM 0 H ALA A 60 8.183 0.491 -12.946 1.00 0.00 H new ATOM 0 HA ALA A 60 5.712 1.686 -13.771 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.420 0.836 -16.005 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.777 1.608 -15.150 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.664 -0.167 -15.222 1.00 0.00 H new ATOM 873 N ASN A 61 4.107 -0.164 -14.375 1.00 0.00 N ATOM 874 CA ASN A 61 3.058 -1.224 -14.450 1.00 0.00 C ATOM 875 C ASN A 61 3.035 -2.030 -13.148 1.00 0.00 C ATOM 876 O ASN A 61 3.353 -3.203 -13.114 1.00 0.00 O ATOM 877 CB ASN A 61 3.320 -2.144 -15.650 1.00 0.00 C ATOM 878 CG ASN A 61 4.756 -2.665 -15.618 1.00 0.00 C ATOM 879 OD1 ASN A 61 5.680 -1.954 -15.962 1.00 0.00 O ATOM 880 ND2 ASN A 61 4.982 -3.884 -15.217 1.00 0.00 N ATOM 0 H ASN A 61 3.819 0.744 -14.739 1.00 0.00 H new ATOM 0 HA ASN A 61 2.085 -0.752 -14.584 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.622 -2.981 -15.634 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.144 -1.600 -16.578 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.936 -4.244 -15.191 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.205 -4.478 -14.929 1.00 0.00 H new ATOM 887 N VAL A 62 2.649 -1.394 -12.072 1.00 0.00 N ATOM 888 CA VAL A 62 2.589 -2.093 -10.756 1.00 0.00 C ATOM 889 C VAL A 62 1.249 -2.807 -10.611 1.00 0.00 C ATOM 890 O VAL A 62 0.206 -2.272 -10.936 1.00 0.00 O ATOM 891 CB VAL A 62 2.757 -1.077 -9.623 1.00 0.00 C ATOM 892 CG1 VAL A 62 1.555 -0.127 -9.586 1.00 0.00 C ATOM 893 CG2 VAL A 62 2.859 -1.820 -8.291 1.00 0.00 C ATOM 0 H VAL A 62 2.371 -0.413 -12.050 1.00 0.00 H new ATOM 0 HA VAL A 62 3.394 -2.826 -10.704 1.00 0.00 H new ATOM 0 HB VAL A 62 3.664 -0.496 -9.793 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.684 0.592 -8.777 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.482 0.404 -10.535 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.643 -0.700 -9.420 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.979 -1.100 -7.481 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.952 -2.402 -8.128 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.720 -2.489 -8.312 1.00 0.00 H new ATOM 903 N GLU A 63 1.276 -4.024 -10.129 1.00 0.00 N ATOM 904 CA GLU A 63 0.016 -4.813 -9.958 1.00 0.00 C ATOM 905 C GLU A 63 -0.275 -5.015 -8.474 1.00 0.00 C ATOM 906 O GLU A 63 0.619 -5.152 -7.659 1.00 0.00 O ATOM 907 CB GLU A 63 0.182 -6.171 -10.638 1.00 0.00 C ATOM 908 CG GLU A 63 0.232 -5.965 -12.152 1.00 0.00 C ATOM 909 CD GLU A 63 0.484 -7.302 -12.850 1.00 0.00 C ATOM 910 OE1 GLU A 63 0.556 -8.305 -12.161 1.00 0.00 O ATOM 911 OE2 GLU A 63 0.599 -7.298 -14.065 1.00 0.00 O ATOM 0 H GLU A 63 2.126 -4.510 -9.843 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.815 -4.272 -10.410 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.095 -6.656 -10.293 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.647 -6.828 -10.374 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.707 -5.534 -12.500 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.021 -5.258 -12.406 1.00 0.00 H new ATOM 918 N TYR A 64 -1.531 -5.020 -8.119 1.00 0.00 N ATOM 919 CA TYR A 64 -1.910 -5.198 -6.689 1.00 0.00 C ATOM 920 C TYR A 64 -3.262 -5.900 -6.585 1.00 0.00 C ATOM 921 O TYR A 64 -4.036 -5.943 -7.523 1.00 0.00 O ATOM 922 CB TYR A 64 -1.999 -3.833 -6.005 1.00 0.00 C ATOM 923 CG TYR A 64 -2.976 -2.945 -6.745 1.00 0.00 C ATOM 924 CD1 TYR A 64 -2.528 -2.134 -7.795 1.00 0.00 C ATOM 925 CD2 TYR A 64 -4.328 -2.925 -6.374 1.00 0.00 C ATOM 926 CE1 TYR A 64 -3.429 -1.303 -8.472 1.00 0.00 C ATOM 927 CE2 TYR A 64 -5.229 -2.094 -7.054 1.00 0.00 C ATOM 928 CZ TYR A 64 -4.778 -1.283 -8.103 1.00 0.00 C ATOM 929 OH TYR A 64 -5.666 -0.463 -8.770 1.00 0.00 O ATOM 0 H TYR A 64 -2.315 -4.908 -8.762 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.150 -5.807 -6.199 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.319 -3.956 -4.970 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.015 -3.364 -5.981 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.487 -2.149 -8.083 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.675 -3.550 -5.564 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.082 -0.677 -9.280 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.271 -2.079 -6.769 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.562 -0.572 -8.388 1.00 0.00 H new ATOM 939 N GLU A 65 -3.543 -6.448 -5.435 1.00 0.00 N ATOM 940 CA GLU A 65 -4.837 -7.160 -5.212 1.00 0.00 C ATOM 941 C GLU A 65 -5.339 -6.851 -3.804 1.00 0.00 C ATOM 942 O GLU A 65 -4.563 -6.683 -2.881 1.00 0.00 O ATOM 943 CB GLU A 65 -4.619 -8.668 -5.354 1.00 0.00 C ATOM 944 CG GLU A 65 -4.323 -9.014 -6.814 1.00 0.00 C ATOM 945 CD GLU A 65 -5.559 -8.726 -7.670 1.00 0.00 C ATOM 946 OE1 GLU A 65 -6.642 -8.680 -7.112 1.00 0.00 O ATOM 947 OE2 GLU A 65 -5.400 -8.551 -8.866 1.00 0.00 O ATOM 0 H GLU A 65 -2.922 -6.433 -4.626 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.571 -6.829 -5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.791 -8.986 -4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.504 -9.206 -5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.476 -8.429 -7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.045 -10.064 -6.900 1.00 0.00 H new ATOM 954 N VAL A 66 -6.634 -6.771 -3.635 1.00 0.00 N ATOM 955 CA VAL A 66 -7.215 -6.466 -2.288 1.00 0.00 C ATOM 956 C VAL A 66 -8.254 -7.517 -1.913 1.00 0.00 C ATOM 957 O VAL A 66 -9.133 -7.850 -2.687 1.00 0.00 O ATOM 958 CB VAL A 66 -7.871 -5.085 -2.311 1.00 0.00 C ATOM 959 CG1 VAL A 66 -8.990 -5.056 -3.357 1.00 0.00 C ATOM 960 CG2 VAL A 66 -8.456 -4.786 -0.929 1.00 0.00 C ATOM 0 H VAL A 66 -7.321 -6.905 -4.377 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.415 -6.477 -1.548 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.125 -4.333 -2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.453 -4.069 -3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.574 -5.272 -4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -9.741 -5.806 -3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.926 -3.802 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.201 -5.541 -0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.659 -4.801 -0.186 1.00 0.00 H new ATOM 970 N ALA A 67 -8.153 -8.038 -0.721 1.00 0.00 N ATOM 971 CA ALA A 67 -9.120 -9.071 -0.267 1.00 0.00 C ATOM 972 C ALA A 67 -10.429 -8.384 0.161 1.00 0.00 C ATOM 973 O ALA A 67 -10.474 -7.182 0.327 1.00 0.00 O ATOM 974 CB ALA A 67 -8.510 -9.851 0.914 1.00 0.00 C ATOM 0 H ALA A 67 -7.436 -7.789 -0.039 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.335 -9.768 -1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.215 -10.611 1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.585 -10.331 0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.298 -9.164 1.733 1.00 0.00 H new ATOM 980 N PRO A 68 -11.480 -9.143 0.346 1.00 0.00 N ATOM 981 CA PRO A 68 -12.802 -8.590 0.771 1.00 0.00 C ATOM 982 C PRO A 68 -12.706 -7.709 2.024 1.00 0.00 C ATOM 983 O PRO A 68 -12.171 -8.106 3.044 1.00 0.00 O ATOM 984 CB PRO A 68 -13.642 -9.846 1.060 1.00 0.00 C ATOM 985 CG PRO A 68 -13.026 -10.921 0.226 1.00 0.00 C ATOM 986 CD PRO A 68 -11.534 -10.605 0.164 1.00 0.00 C ATOM 0 HA PRO A 68 -13.228 -7.940 0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.616 -10.104 2.119 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.688 -9.691 0.795 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.199 -11.903 0.666 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.463 -10.938 -0.773 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.981 -11.127 0.945 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.100 -10.906 -0.789 1.00 0.00 H new ATOM 994 N VAL A 69 -13.231 -6.511 1.947 1.00 0.00 N ATOM 995 CA VAL A 69 -13.198 -5.582 3.119 1.00 0.00 C ATOM 996 C VAL A 69 -14.586 -4.974 3.332 1.00 0.00 C ATOM 997 O VAL A 69 -15.226 -4.508 2.407 1.00 0.00 O ATOM 998 CB VAL A 69 -12.183 -4.465 2.865 1.00 0.00 C ATOM 999 CG1 VAL A 69 -12.299 -3.410 3.969 1.00 0.00 C ATOM 1000 CG2 VAL A 69 -10.768 -5.050 2.863 1.00 0.00 C ATOM 0 H VAL A 69 -13.685 -6.134 1.115 1.00 0.00 H new ATOM 0 HA VAL A 69 -12.906 -6.138 4.010 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.385 -4.003 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.576 -2.614 3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.306 -2.993 3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.097 -3.871 4.936 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.046 -4.254 2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.564 -5.513 3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.686 -5.800 2.077 1.00 0.00 H new ATOM 1010 N ALA A 70 -15.045 -4.969 4.550 1.00 0.00 N ATOM 1011 CA ALA A 70 -16.382 -4.391 4.853 1.00 0.00 C ATOM 1012 C ALA A 70 -16.275 -2.869 4.988 1.00 0.00 C ATOM 1013 O ALA A 70 -15.218 -2.326 5.255 1.00 0.00 O ATOM 1014 CB ALA A 70 -16.906 -4.991 6.162 1.00 0.00 C ATOM 0 H ALA A 70 -14.546 -5.344 5.357 1.00 0.00 H new ATOM 0 HA ALA A 70 -17.071 -4.626 4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -17.886 -4.570 6.388 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -16.991 -6.073 6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -16.215 -4.757 6.972 1.00 0.00 H new ATOM 1020 N ASP A 71 -17.369 -2.183 4.810 1.00 0.00 N ATOM 1021 CA ASP A 71 -17.366 -0.695 4.931 1.00 0.00 C ATOM 1022 C ASP A 71 -17.017 -0.295 6.366 1.00 0.00 C ATOM 1023 O ASP A 71 -16.322 0.676 6.607 1.00 0.00 O ATOM 1024 CB ASP A 71 -18.760 -0.170 4.584 1.00 0.00 C ATOM 1025 CG ASP A 71 -18.713 1.349 4.419 1.00 0.00 C ATOM 1026 OD1 ASP A 71 -17.638 1.864 4.163 1.00 0.00 O ATOM 1027 OD2 ASP A 71 -19.754 1.971 4.552 1.00 0.00 O ATOM 0 H ASP A 71 -18.275 -2.592 4.583 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.626 -0.272 4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -19.115 -0.634 3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -19.466 -0.438 5.370 1.00 0.00 H new ATOM 1032 N ASN A 72 -17.504 -1.038 7.323 1.00 0.00 N ATOM 1033 CA ASN A 72 -17.222 -0.715 8.754 1.00 0.00 C ATOM 1034 C ASN A 72 -15.977 -1.486 9.217 1.00 0.00 C ATOM 1035 O ASN A 72 -15.687 -1.572 10.396 1.00 0.00 O ATOM 1036 CB ASN A 72 -18.431 -1.132 9.601 1.00 0.00 C ATOM 1037 CG ASN A 72 -19.645 -0.278 9.220 1.00 0.00 C ATOM 1038 OD1 ASN A 72 -19.463 0.900 8.687 1.00 0.00 O flip ATOM 1039 ND2 ASN A 72 -20.775 -0.690 9.408 1.00 0.00 N flip ATOM 0 H ASN A 72 -18.089 -1.860 7.175 1.00 0.00 H new ATOM 0 HA ASN A 72 -17.042 0.354 8.867 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -18.652 -2.188 9.442 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -18.205 -1.009 10.660 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -20.920 -1.610 9.824 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -21.577 -0.115 9.149 1.00 0.00 H new ATOM 1046 N ALA A 73 -15.242 -2.050 8.297 1.00 0.00 N ATOM 1047 CA ALA A 73 -14.020 -2.826 8.673 1.00 0.00 C ATOM 1048 C ALA A 73 -12.980 -1.905 9.318 1.00 0.00 C ATOM 1049 O ALA A 73 -12.849 -0.746 8.970 1.00 0.00 O ATOM 1050 CB ALA A 73 -13.418 -3.472 7.423 1.00 0.00 C ATOM 0 H ALA A 73 -15.434 -2.008 7.296 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.302 -3.598 9.389 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.528 -4.037 7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.149 -4.143 6.972 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.148 -2.696 6.707 1.00 0.00 H new ATOM 1056 N THR A 74 -12.230 -2.427 10.256 1.00 0.00 N ATOM 1057 CA THR A 74 -11.183 -1.614 10.945 1.00 0.00 C ATOM 1058 C THR A 74 -9.803 -1.946 10.361 1.00 0.00 C ATOM 1059 O THR A 74 -8.806 -1.342 10.713 1.00 0.00 O ATOM 1060 CB THR A 74 -11.196 -1.937 12.451 1.00 0.00 C ATOM 1061 OG1 THR A 74 -9.880 -1.826 12.972 1.00 0.00 O ATOM 1062 CG2 THR A 74 -11.712 -3.364 12.681 1.00 0.00 C ATOM 0 H THR A 74 -12.300 -3.393 10.577 1.00 0.00 H new ATOM 0 HA THR A 74 -11.390 -0.554 10.796 1.00 0.00 H new ATOM 0 HB THR A 74 -11.855 -1.231 12.958 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.889 -2.030 13.930 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.717 -3.581 13.749 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.725 -3.452 12.288 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.061 -4.073 12.169 1.00 0.00 H new ATOM 1070 N GLU A 75 -9.731 -2.899 9.465 1.00 0.00 N ATOM 1071 CA GLU A 75 -8.410 -3.262 8.861 1.00 0.00 C ATOM 1072 C GLU A 75 -8.599 -3.636 7.397 1.00 0.00 C ATOM 1073 O GLU A 75 -9.618 -4.168 7.003 1.00 0.00 O ATOM 1074 CB GLU A 75 -7.789 -4.442 9.613 1.00 0.00 C ATOM 1075 CG GLU A 75 -6.415 -4.764 9.010 1.00 0.00 C ATOM 1076 CD GLU A 75 -5.752 -5.883 9.813 1.00 0.00 C ATOM 1077 OE1 GLU A 75 -6.441 -6.505 10.604 1.00 0.00 O ATOM 1078 OE2 GLU A 75 -4.566 -6.098 9.625 1.00 0.00 O ATOM 0 H GLU A 75 -10.526 -3.440 9.126 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.743 -2.403 8.935 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.687 -4.200 10.671 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.441 -5.313 9.547 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.526 -5.066 7.969 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.785 -3.874 9.019 1.00 0.00 H new ATOM 1085 N LEU A 76 -7.610 -3.357 6.589 1.00 0.00 N ATOM 1086 CA LEU A 76 -7.691 -3.679 5.136 1.00 0.00 C ATOM 1087 C LEU A 76 -6.481 -4.511 4.730 1.00 0.00 C ATOM 1088 O LEU A 76 -5.358 -4.226 5.105 1.00 0.00 O ATOM 1089 CB LEU A 76 -7.716 -2.382 4.331 1.00 0.00 C ATOM 1090 CG LEU A 76 -7.640 -2.696 2.812 1.00 0.00 C ATOM 1091 CD1 LEU A 76 -8.647 -1.833 2.045 1.00 0.00 C ATOM 1092 CD2 LEU A 76 -6.229 -2.404 2.284 1.00 0.00 C ATOM 0 H LEU A 76 -6.739 -2.914 6.880 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.600 -4.247 4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.628 -1.826 4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.878 -1.748 4.622 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.875 -3.750 2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.585 -2.061 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.654 -2.044 2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.418 -0.779 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.186 -2.627 1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.991 -1.352 2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.506 -3.025 2.814 1.00 0.00 H new ATOM 1104 N HIS A 77 -6.710 -5.548 3.969 1.00 0.00 N ATOM 1105 CA HIS A 77 -5.595 -6.436 3.523 1.00 0.00 C ATOM 1106 C HIS A 77 -5.323 -6.214 2.038 1.00 0.00 C ATOM 1107 O HIS A 77 -6.221 -6.238 1.214 1.00 0.00 O ATOM 1108 CB HIS A 77 -5.994 -7.892 3.754 1.00 0.00 C ATOM 1109 CG HIS A 77 -6.217 -8.117 5.223 1.00 0.00 C ATOM 1110 ND1 HIS A 77 -5.167 -8.211 6.122 1.00 0.00 N ATOM 1111 CD2 HIS A 77 -7.362 -8.264 5.968 1.00 0.00 C ATOM 1112 CE1 HIS A 77 -5.695 -8.408 7.343 1.00 0.00 C ATOM 1113 NE2 HIS A 77 -7.030 -8.449 7.307 1.00 0.00 N ATOM 0 H HIS A 77 -7.633 -5.821 3.633 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.694 -6.204 4.091 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -6.901 -8.126 3.196 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.213 -8.558 3.386 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -8.367 -8.240 5.574 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -5.110 -8.520 8.244 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -7.668 -8.586 8.091 1.00 0.00 H new ATOM 1121 N ALA A 78 -4.086 -5.995 1.693 1.00 0.00 N ATOM 1122 CA ALA A 78 -3.730 -5.765 0.265 1.00 0.00 C ATOM 1123 C ALA A 78 -2.329 -6.308 -0.003 1.00 0.00 C ATOM 1124 O ALA A 78 -1.503 -6.403 0.886 1.00 0.00 O ATOM 1125 CB ALA A 78 -3.766 -4.263 -0.039 1.00 0.00 C ATOM 0 H ALA A 78 -3.300 -5.965 2.343 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.447 -6.279 -0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.505 -4.097 -1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.768 -3.877 0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.051 -3.745 0.600 1.00 0.00 H new ATOM 1131 N ARG A 79 -2.064 -6.668 -1.229 1.00 0.00 N ATOM 1132 CA ARG A 79 -0.724 -7.216 -1.596 1.00 0.00 C ATOM 1133 C ARG A 79 -0.222 -6.523 -2.861 1.00 0.00 C ATOM 1134 O ARG A 79 -0.994 -6.114 -3.709 1.00 0.00 O ATOM 1135 CB ARG A 79 -0.840 -8.719 -1.853 1.00 0.00 C ATOM 1136 CG ARG A 79 -1.264 -9.422 -0.562 1.00 0.00 C ATOM 1137 CD ARG A 79 -1.423 -10.923 -0.817 1.00 0.00 C ATOM 1138 NE ARG A 79 -0.095 -11.517 -1.151 1.00 0.00 N ATOM 1139 CZ ARG A 79 0.721 -11.904 -0.204 1.00 0.00 C ATOM 1140 NH1 ARG A 79 0.392 -11.761 1.053 1.00 0.00 N ATOM 1141 NH2 ARG A 79 1.871 -12.432 -0.516 1.00 0.00 N ATOM 0 H ARG A 79 -2.726 -6.606 -2.002 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.023 -7.040 -0.780 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.569 -8.910 -2.641 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.115 -9.115 -2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.520 -9.253 0.216 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.204 -9.004 -0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.839 -11.410 0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.124 -11.091 -1.635 1.00 0.00 H new ATOM 0 HE ARG A 79 0.179 -11.622 -2.128 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.506 -11.345 1.301 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.033 -12.065 1.786 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.132 -12.542 -1.496 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.510 -12.735 0.220 1.00 0.00 H new ATOM 1155 N PHE A 80 1.071 -6.389 -2.985 1.00 0.00 N ATOM 1156 CA PHE A 80 1.668 -5.723 -4.183 1.00 0.00 C ATOM 1157 C PHE A 80 2.726 -6.634 -4.796 1.00 0.00 C ATOM 1158 O PHE A 80 3.364 -7.416 -4.116 1.00 0.00 O ATOM 1159 CB PHE A 80 2.322 -4.409 -3.757 1.00 0.00 C ATOM 1160 CG PHE A 80 1.254 -3.379 -3.490 1.00 0.00 C ATOM 1161 CD1 PHE A 80 0.598 -3.354 -2.254 1.00 0.00 C ATOM 1162 CD2 PHE A 80 0.918 -2.451 -4.482 1.00 0.00 C ATOM 1163 CE1 PHE A 80 -0.395 -2.398 -2.011 1.00 0.00 C ATOM 1164 CE2 PHE A 80 -0.074 -1.496 -4.239 1.00 0.00 C ATOM 1165 CZ PHE A 80 -0.730 -1.468 -3.003 1.00 0.00 C ATOM 0 H PHE A 80 1.750 -6.717 -2.298 1.00 0.00 H new ATOM 0 HA PHE A 80 0.886 -5.525 -4.916 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.925 -4.564 -2.862 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.996 -4.056 -4.538 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.857 -4.071 -1.489 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.425 -2.472 -5.435 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.903 -2.378 -1.058 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.334 -0.780 -5.005 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.495 -0.729 -2.814 1.00 0.00 H new ATOM 1175 N LYS A 81 2.915 -6.529 -6.085 1.00 0.00 N ATOM 1176 CA LYS A 81 3.929 -7.373 -6.783 1.00 0.00 C ATOM 1177 C LYS A 81 5.089 -6.493 -7.244 1.00 0.00 C ATOM 1178 O LYS A 81 4.945 -5.652 -8.112 1.00 0.00 O ATOM 1179 CB LYS A 81 3.276 -8.042 -7.990 1.00 0.00 C ATOM 1180 CG LYS A 81 4.293 -8.952 -8.680 1.00 0.00 C ATOM 1181 CD LYS A 81 3.623 -9.679 -9.847 1.00 0.00 C ATOM 1182 CE LYS A 81 4.640 -10.597 -10.529 1.00 0.00 C ATOM 1183 NZ LYS A 81 4.844 -11.817 -9.698 1.00 0.00 N ATOM 0 H LYS A 81 2.404 -5.887 -6.691 1.00 0.00 H new ATOM 0 HA LYS A 81 4.307 -8.137 -6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.409 -8.622 -7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.916 -7.286 -8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.136 -8.363 -9.041 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.691 -9.675 -7.968 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.775 -10.262 -9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.232 -8.956 -10.563 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.286 -10.875 -11.522 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.586 -10.073 -10.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.428 -12.500 -10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.325 -11.558 -8.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.922 -12.246 -9.479 1.00 0.00 H new ATOM 1197 N PHE A 82 6.243 -6.690 -6.661 1.00 0.00 N ATOM 1198 CA PHE A 82 7.447 -5.887 -7.035 1.00 0.00 C ATOM 1199 C PHE A 82 8.461 -6.780 -7.746 1.00 0.00 C ATOM 1200 O PHE A 82 8.604 -7.951 -7.442 1.00 0.00 O ATOM 1201 CB PHE A 82 8.075 -5.290 -5.774 1.00 0.00 C ATOM 1202 CG PHE A 82 7.219 -4.142 -5.290 1.00 0.00 C ATOM 1203 CD1 PHE A 82 7.273 -2.909 -5.949 1.00 0.00 C ATOM 1204 CD2 PHE A 82 6.372 -4.312 -4.188 1.00 0.00 C ATOM 1205 CE1 PHE A 82 6.481 -1.843 -5.508 1.00 0.00 C ATOM 1206 CE2 PHE A 82 5.579 -3.245 -3.747 1.00 0.00 C ATOM 1207 CZ PHE A 82 5.634 -2.011 -4.407 1.00 0.00 C ATOM 0 H PHE A 82 6.405 -7.383 -5.931 1.00 0.00 H new ATOM 0 HA PHE A 82 7.150 -5.081 -7.706 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.156 -6.051 -4.998 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.086 -4.942 -5.986 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.927 -2.780 -6.799 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.330 -5.264 -3.679 1.00 0.00 H new ATOM 0 HE1 PHE A 82 6.523 -0.891 -6.017 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.925 -3.374 -2.897 1.00 0.00 H new ATOM 0 HZ PHE A 82 5.022 -1.189 -4.066 1.00 0.00 H new ATOM 1217 N GLU A 83 9.160 -6.230 -8.696 1.00 0.00 N ATOM 1218 CA GLU A 83 10.171 -7.019 -9.451 1.00 0.00 C ATOM 1219 C GLU A 83 11.321 -7.416 -8.523 1.00 0.00 C ATOM 1220 O GLU A 83 11.855 -8.504 -8.615 1.00 0.00 O ATOM 1221 CB GLU A 83 10.717 -6.161 -10.593 1.00 0.00 C ATOM 1222 CG GLU A 83 11.588 -7.018 -11.514 1.00 0.00 C ATOM 1223 CD GLU A 83 10.700 -7.998 -12.281 1.00 0.00 C ATOM 1224 OE1 GLU A 83 9.491 -7.860 -12.198 1.00 0.00 O ATOM 1225 OE2 GLU A 83 11.243 -8.865 -12.945 1.00 0.00 O ATOM 0 H GLU A 83 9.073 -5.256 -8.985 1.00 0.00 H new ATOM 0 HA GLU A 83 9.706 -7.921 -9.849 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.893 -5.725 -11.158 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.301 -5.333 -10.191 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.135 -6.383 -12.211 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.330 -7.562 -10.929 1.00 0.00 H new ATOM 1232 N VAL A 84 11.718 -6.535 -7.638 1.00 0.00 N ATOM 1233 CA VAL A 84 12.848 -6.853 -6.706 1.00 0.00 C ATOM 1234 C VAL A 84 12.513 -6.402 -5.284 1.00 0.00 C ATOM 1235 O VAL A 84 11.641 -5.586 -5.060 1.00 0.00 O ATOM 1236 CB VAL A 84 14.127 -6.160 -7.184 1.00 0.00 C ATOM 1237 CG1 VAL A 84 14.600 -6.815 -8.483 1.00 0.00 C ATOM 1238 CG2 VAL A 84 13.850 -4.676 -7.440 1.00 0.00 C ATOM 0 H VAL A 84 11.309 -5.608 -7.519 1.00 0.00 H new ATOM 0 HA VAL A 84 13.003 -7.932 -6.702 1.00 0.00 H new ATOM 0 HB VAL A 84 14.896 -6.256 -6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.511 -6.325 -8.827 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.802 -7.871 -8.305 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.825 -6.716 -9.243 1.00 0.00 H new ATOM 0 HG21 VAL A 84 14.764 -4.189 -7.780 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.080 -4.576 -8.205 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.509 -4.205 -6.518 1.00 0.00 H new ATOM 1248 N SER A 85 13.217 -6.942 -4.324 1.00 0.00 N ATOM 1249 CA SER A 85 12.976 -6.579 -2.899 1.00 0.00 C ATOM 1250 C SER A 85 13.454 -5.146 -2.638 1.00 0.00 C ATOM 1251 O SER A 85 13.103 -4.532 -1.649 1.00 0.00 O ATOM 1252 CB SER A 85 13.752 -7.546 -2.005 1.00 0.00 C ATOM 1253 OG SER A 85 13.116 -8.818 -2.019 1.00 0.00 O ATOM 0 H SER A 85 13.958 -7.628 -4.470 1.00 0.00 H new ATOM 0 HA SER A 85 11.910 -6.643 -2.680 1.00 0.00 H new ATOM 0 HB2 SER A 85 14.780 -7.637 -2.356 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.796 -7.161 -0.986 1.00 0.00 H new ATOM 0 HG SER A 85 13.614 -9.439 -1.447 1.00 0.00 H new ATOM 1259 N ALA A 86 14.257 -4.610 -3.517 1.00 0.00 N ATOM 1260 CA ALA A 86 14.761 -3.218 -3.320 1.00 0.00 C ATOM 1261 C ALA A 86 13.579 -2.245 -3.283 1.00 0.00 C ATOM 1262 O ALA A 86 13.525 -1.338 -2.473 1.00 0.00 O ATOM 1263 CB ALA A 86 15.678 -2.845 -4.487 1.00 0.00 C ATOM 0 H ALA A 86 14.586 -5.075 -4.363 1.00 0.00 H new ATOM 0 HA ALA A 86 15.311 -3.161 -2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 86 16.049 -1.829 -4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.520 -3.537 -4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.120 -2.903 -5.421 1.00 0.00 H new ATOM 1269 N GLU A 87 12.630 -2.431 -4.156 1.00 0.00 N ATOM 1270 CA GLU A 87 11.443 -1.529 -4.184 1.00 0.00 C ATOM 1271 C GLU A 87 10.580 -1.792 -2.945 1.00 0.00 C ATOM 1272 O GLU A 87 9.963 -0.899 -2.397 1.00 0.00 O ATOM 1273 CB GLU A 87 10.625 -1.811 -5.452 1.00 0.00 C ATOM 1274 CG GLU A 87 11.243 -1.082 -6.650 1.00 0.00 C ATOM 1275 CD GLU A 87 12.625 -1.663 -6.954 1.00 0.00 C ATOM 1276 OE1 GLU A 87 13.523 -1.457 -6.155 1.00 0.00 O ATOM 1277 OE2 GLU A 87 12.764 -2.301 -7.985 1.00 0.00 O ATOM 0 H GLU A 87 12.624 -3.173 -4.856 1.00 0.00 H new ATOM 0 HA GLU A 87 11.768 -0.489 -4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.596 -2.883 -5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.595 -1.485 -5.310 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.596 -1.183 -7.522 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.326 -0.016 -6.436 1.00 0.00 H new ATOM 1284 N LYS A 88 10.533 -3.018 -2.503 1.00 0.00 N ATOM 1285 CA LYS A 88 9.713 -3.348 -1.304 1.00 0.00 C ATOM 1286 C LYS A 88 10.238 -2.581 -0.092 1.00 0.00 C ATOM 1287 O LYS A 88 9.487 -1.991 0.661 1.00 0.00 O ATOM 1288 CB LYS A 88 9.810 -4.849 -1.020 1.00 0.00 C ATOM 1289 CG LYS A 88 8.907 -5.206 0.165 1.00 0.00 C ATOM 1290 CD LYS A 88 8.941 -6.717 0.406 1.00 0.00 C ATOM 1291 CE LYS A 88 8.029 -7.064 1.585 1.00 0.00 C ATOM 1292 NZ LYS A 88 8.032 -8.539 1.799 1.00 0.00 N ATOM 0 H LYS A 88 11.027 -3.806 -2.921 1.00 0.00 H new ATOM 0 HA LYS A 88 8.676 -3.070 -1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.512 -5.416 -1.902 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.842 -5.122 -0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.239 -4.678 1.059 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.885 -4.883 -0.034 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.614 -7.247 -0.489 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.961 -7.041 0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.372 -6.555 2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.015 -6.716 1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.412 -8.775 2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.686 -9.015 0.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.000 -8.858 2.005 1.00 0.00 H new ATOM 1306 N LEU A 89 11.524 -2.597 0.111 1.00 0.00 N ATOM 1307 CA LEU A 89 12.095 -1.877 1.283 1.00 0.00 C ATOM 1308 C LEU A 89 11.826 -0.375 1.148 1.00 0.00 C ATOM 1309 O LEU A 89 11.418 0.285 2.085 1.00 0.00 O ATOM 1310 CB LEU A 89 13.611 -2.116 1.338 1.00 0.00 C ATOM 1311 CG LEU A 89 14.204 -1.440 2.586 1.00 0.00 C ATOM 1312 CD1 LEU A 89 13.595 -2.061 3.857 1.00 0.00 C ATOM 1313 CD2 LEU A 89 15.727 -1.626 2.595 1.00 0.00 C ATOM 0 H LEU A 89 12.203 -3.075 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 89 11.629 -2.248 2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.818 -3.186 1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.083 -1.718 0.440 1.00 0.00 H new ATOM 0 HG LEU A 89 13.970 -0.376 2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 89 14.019 -1.578 4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.514 -1.918 3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 89 13.820 -3.127 3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.147 -1.147 3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 89 15.964 -2.690 2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.154 -1.174 1.700 1.00 0.00 H new ATOM 1325 N ILE A 90 12.061 0.165 -0.014 1.00 0.00 N ATOM 1326 CA ILE A 90 11.830 1.622 -0.232 1.00 0.00 C ATOM 1327 C ILE A 90 10.333 1.934 -0.120 1.00 0.00 C ATOM 1328 O ILE A 90 9.927 2.903 0.494 1.00 0.00 O ATOM 1329 CB ILE A 90 12.326 1.999 -1.632 1.00 0.00 C ATOM 1330 CG1 ILE A 90 13.850 1.870 -1.685 1.00 0.00 C ATOM 1331 CG2 ILE A 90 11.923 3.439 -1.957 1.00 0.00 C ATOM 1332 CD1 ILE A 90 14.327 1.971 -3.137 1.00 0.00 C ATOM 0 H ILE A 90 12.406 -0.343 -0.829 1.00 0.00 H new ATOM 0 HA ILE A 90 12.370 2.195 0.522 1.00 0.00 H new ATOM 0 HB ILE A 90 11.877 1.328 -2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 90 14.312 2.654 -1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 90 14.159 0.917 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.279 3.700 -2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.837 3.529 -1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.366 4.115 -1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 90 15.413 1.879 -3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 90 13.876 1.171 -3.724 1.00 0.00 H new ATOM 0 HD13 ILE A 90 14.032 2.935 -3.551 1.00 0.00 H new ATOM 1344 N PHE A 91 9.519 1.120 -0.726 1.00 0.00 N ATOM 1345 CA PHE A 91 8.045 1.344 -0.682 1.00 0.00 C ATOM 1346 C PHE A 91 7.548 1.242 0.762 1.00 0.00 C ATOM 1347 O PHE A 91 6.739 2.030 1.216 1.00 0.00 O ATOM 1348 CB PHE A 91 7.354 0.276 -1.533 1.00 0.00 C ATOM 1349 CG PHE A 91 5.883 0.600 -1.664 1.00 0.00 C ATOM 1350 CD1 PHE A 91 5.482 1.736 -2.376 1.00 0.00 C ATOM 1351 CD2 PHE A 91 4.918 -0.231 -1.075 1.00 0.00 C ATOM 1352 CE1 PHE A 91 4.123 2.043 -2.501 1.00 0.00 C ATOM 1353 CE2 PHE A 91 3.558 0.077 -1.201 1.00 0.00 C ATOM 1354 CZ PHE A 91 3.161 1.214 -1.914 1.00 0.00 C ATOM 0 H PHE A 91 9.812 0.300 -1.256 1.00 0.00 H new ATOM 0 HA PHE A 91 7.815 2.336 -1.070 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.815 0.229 -2.520 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.481 -0.705 -1.075 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.223 2.377 -2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.224 -1.108 -0.524 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.816 2.920 -3.051 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.815 -0.563 -0.748 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.112 1.451 -2.011 1.00 0.00 H new ATOM 1364 N GLU A 92 8.014 0.259 1.477 1.00 0.00 N ATOM 1365 CA GLU A 92 7.567 0.066 2.888 1.00 0.00 C ATOM 1366 C GLU A 92 7.826 1.334 3.710 1.00 0.00 C ATOM 1367 O GLU A 92 6.923 1.917 4.281 1.00 0.00 O ATOM 1368 CB GLU A 92 8.358 -1.092 3.503 1.00 0.00 C ATOM 1369 CG GLU A 92 7.741 -1.483 4.847 1.00 0.00 C ATOM 1370 CD GLU A 92 6.392 -2.164 4.608 1.00 0.00 C ATOM 1371 OE1 GLU A 92 6.070 -2.408 3.457 1.00 0.00 O ATOM 1372 OE2 GLU A 92 5.705 -2.431 5.580 1.00 0.00 O ATOM 0 H GLU A 92 8.692 -0.427 1.144 1.00 0.00 H new ATOM 0 HA GLU A 92 6.499 -0.151 2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.353 -1.947 2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.399 -0.801 3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.410 -2.155 5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.609 -0.598 5.470 1.00 0.00 H new ATOM 1379 N LEU A 93 9.056 1.754 3.786 1.00 0.00 N ATOM 1380 CA LEU A 93 9.390 2.976 4.579 1.00 0.00 C ATOM 1381 C LEU A 93 8.729 4.216 3.962 1.00 0.00 C ATOM 1382 O LEU A 93 8.268 5.098 4.660 1.00 0.00 O ATOM 1383 CB LEU A 93 10.916 3.156 4.606 1.00 0.00 C ATOM 1384 CG LEU A 93 11.524 2.293 5.714 1.00 0.00 C ATOM 1385 CD1 LEU A 93 11.145 0.829 5.491 1.00 0.00 C ATOM 1386 CD2 LEU A 93 13.048 2.436 5.697 1.00 0.00 C ATOM 0 H LEU A 93 9.851 1.304 3.332 1.00 0.00 H new ATOM 0 HA LEU A 93 9.014 2.857 5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.341 2.877 3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.164 4.204 4.772 1.00 0.00 H new ATOM 0 HG LEU A 93 11.140 2.622 6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.579 0.216 6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.060 0.727 5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.525 0.498 4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.480 1.821 6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.433 2.110 4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.317 3.479 5.861 1.00 0.00 H new ATOM 1398 N LYS A 94 8.701 4.305 2.663 1.00 0.00 N ATOM 1399 CA LYS A 94 8.095 5.503 2.009 1.00 0.00 C ATOM 1400 C LYS A 94 6.609 5.621 2.368 1.00 0.00 C ATOM 1401 O LYS A 94 6.128 6.683 2.719 1.00 0.00 O ATOM 1402 CB LYS A 94 8.240 5.374 0.493 1.00 0.00 C ATOM 1403 CG LYS A 94 7.738 6.654 -0.190 1.00 0.00 C ATOM 1404 CD LYS A 94 7.851 6.517 -1.715 1.00 0.00 C ATOM 1405 CE LYS A 94 9.311 6.671 -2.160 1.00 0.00 C ATOM 1406 NZ LYS A 94 9.364 6.833 -3.638 1.00 0.00 N ATOM 0 H LYS A 94 9.071 3.602 2.023 1.00 0.00 H new ATOM 0 HA LYS A 94 8.612 6.396 2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.284 5.197 0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.673 4.514 0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.702 6.843 0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.321 7.510 0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.469 5.545 -2.028 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.235 7.273 -2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.762 7.535 -1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.889 5.797 -1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.190 6.325 -4.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.497 6.445 -4.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.442 7.843 -3.874 1.00 0.00 H new ATOM 1420 N THR A 95 5.871 4.549 2.277 1.00 0.00 N ATOM 1421 CA THR A 95 4.417 4.621 2.610 1.00 0.00 C ATOM 1422 C THR A 95 4.243 4.848 4.114 1.00 0.00 C ATOM 1423 O THR A 95 3.403 5.614 4.549 1.00 0.00 O ATOM 1424 CB THR A 95 3.734 3.312 2.217 1.00 0.00 C ATOM 1425 OG1 THR A 95 4.487 2.214 2.719 1.00 0.00 O ATOM 1426 CG2 THR A 95 3.633 3.221 0.695 1.00 0.00 C ATOM 0 H THR A 95 6.208 3.630 1.988 1.00 0.00 H new ATOM 0 HA THR A 95 3.966 5.448 2.061 1.00 0.00 H new ATOM 0 HB THR A 95 2.731 3.284 2.642 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.234 2.026 2.113 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.145 2.286 0.418 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.049 4.061 0.318 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.633 3.251 0.262 1.00 0.00 H new ATOM 1434 N ARG A 96 5.039 4.191 4.909 1.00 0.00 N ATOM 1435 CA ARG A 96 4.937 4.368 6.386 1.00 0.00 C ATOM 1436 C ARG A 96 5.310 5.807 6.751 1.00 0.00 C ATOM 1437 O ARG A 96 4.693 6.433 7.592 1.00 0.00 O ATOM 1438 CB ARG A 96 5.900 3.399 7.082 1.00 0.00 C ATOM 1439 CG ARG A 96 5.379 1.965 6.953 1.00 0.00 C ATOM 1440 CD ARG A 96 6.398 0.983 7.550 1.00 0.00 C ATOM 1441 NE ARG A 96 6.558 1.254 9.009 1.00 0.00 N ATOM 1442 CZ ARG A 96 7.453 0.608 9.712 1.00 0.00 C ATOM 1443 NH1 ARG A 96 8.219 -0.288 9.149 1.00 0.00 N ATOM 1444 NH2 ARG A 96 7.580 0.859 10.986 1.00 0.00 N ATOM 0 H ARG A 96 5.758 3.537 4.600 1.00 0.00 H new ATOM 0 HA ARG A 96 3.917 4.162 6.710 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.892 3.476 6.637 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.001 3.665 8.134 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.423 1.868 7.468 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.202 1.726 5.904 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.064 -0.043 7.395 1.00 0.00 H new ATOM 0 HD3 ARG A 96 7.358 1.086 7.043 1.00 0.00 H new ATOM 0 HE ARG A 96 5.965 1.949 9.462 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.122 -0.489 8.154 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.914 -0.787 9.705 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.983 1.556 11.430 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.276 0.358 11.538 1.00 0.00 H new ATOM 1458 N ALA A 97 6.318 6.335 6.113 1.00 0.00 N ATOM 1459 CA ALA A 97 6.746 7.732 6.406 1.00 0.00 C ATOM 1460 C ALA A 97 5.607 8.693 6.080 1.00 0.00 C ATOM 1461 O ALA A 97 5.397 9.676 6.760 1.00 0.00 O ATOM 1462 CB ALA A 97 7.961 8.077 5.545 1.00 0.00 C ATOM 0 H ALA A 97 6.866 5.857 5.398 1.00 0.00 H new ATOM 0 HA ALA A 97 7.005 7.821 7.461 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.278 9.098 5.756 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.776 7.390 5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.697 7.989 4.491 1.00 0.00 H new