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 Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.655! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.391 X(o=-0.39,f=-0.0057) USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= 0.00699 (180deg=0.0059) USER MOD Single : A 51 TYR OH : rot -79:sc= 0.39 USER MOD Single : A 53 SER OG : rot 78:sc= 0.476 USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= -0.148 (180deg=-0.813) 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 :FLIP amide:sc= -0.0216 F(o=-1.4!,f=-0.022) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.38! C(o=-1.4!,f=-7!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS :FLIP no HD1:sc= -0.0827 F(o=-0.61,f=-0.083) USER MOD Single : A 81 LYS NZ :NH3+ -130:sc= -0.671 (180deg=-0.905) 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+ -108:sc= -2.59 (180deg=-5.58!) USER MOD Single : A 95 THR OG1 : rot 2:sc= -0.325 USER MOD ----------------------------------------------------------------- ATOM 402 N ASP A 30 8.072 -12.055 -4.891 1.00 0.00 N ATOM 403 CA ASP A 30 7.784 -10.950 -5.859 1.00 0.00 C ATOM 404 C ASP A 30 6.573 -10.156 -5.364 1.00 0.00 C ATOM 405 O ASP A 30 6.132 -9.213 -5.994 1.00 0.00 O ATOM 406 CB ASP A 30 7.484 -11.545 -7.236 1.00 0.00 C ATOM 407 CG ASP A 30 8.760 -12.165 -7.812 1.00 0.00 C ATOM 408 OD1 ASP A 30 9.810 -11.958 -7.226 1.00 0.00 O ATOM 409 OD2 ASP A 30 8.666 -12.834 -8.827 1.00 0.00 O ATOM 0 HA ASP A 30 8.648 -10.289 -5.935 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.704 -12.302 -7.155 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.109 -10.770 -7.905 1.00 0.00 H new ATOM 414 N VAL A 31 6.033 -10.535 -4.230 1.00 0.00 N ATOM 415 CA VAL A 31 4.844 -9.820 -3.666 1.00 0.00 C ATOM 416 C VAL A 31 5.161 -9.354 -2.246 1.00 0.00 C ATOM 417 O VAL A 31 5.703 -10.090 -1.444 1.00 0.00 O ATOM 418 CB VAL A 31 3.637 -10.763 -3.648 1.00 0.00 C ATOM 419 CG1 VAL A 31 2.501 -10.141 -2.827 1.00 0.00 C ATOM 420 CG2 VAL A 31 3.161 -10.986 -5.084 1.00 0.00 C ATOM 0 H VAL A 31 6.368 -11.316 -3.666 1.00 0.00 H new ATOM 0 HA VAL A 31 4.610 -8.955 -4.286 1.00 0.00 H new ATOM 0 HB VAL A 31 3.924 -11.713 -3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.646 -10.817 -2.818 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.841 -9.973 -1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.208 -9.191 -3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.302 -11.656 -5.082 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.876 -10.031 -5.525 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.966 -11.430 -5.669 1.00 0.00 H new ATOM 430 N ALA A 32 4.821 -8.129 -1.936 1.00 0.00 N ATOM 431 CA ALA A 32 5.091 -7.582 -0.571 1.00 0.00 C ATOM 432 C ALA A 32 3.774 -7.404 0.176 1.00 0.00 C ATOM 433 O ALA A 32 2.719 -7.251 -0.414 1.00 0.00 O ATOM 434 CB ALA A 32 5.786 -6.225 -0.700 1.00 0.00 C ATOM 0 H ALA A 32 4.364 -7.479 -2.575 1.00 0.00 H new ATOM 0 HA ALA A 32 5.730 -8.273 -0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.985 -5.822 0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.727 -6.348 -1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.142 -5.537 -1.248 1.00 0.00 H new ATOM 440 N GLU A 33 3.831 -7.429 1.479 1.00 0.00 N ATOM 441 CA GLU A 33 2.595 -7.272 2.295 1.00 0.00 C ATOM 442 C GLU A 33 2.331 -5.792 2.546 1.00 0.00 C ATOM 443 O GLU A 33 3.182 -5.065 3.019 1.00 0.00 O ATOM 444 CB GLU A 33 2.781 -7.998 3.626 1.00 0.00 C ATOM 445 CG GLU A 33 2.805 -9.506 3.371 1.00 0.00 C ATOM 446 CD GLU A 33 3.073 -10.248 4.682 1.00 0.00 C ATOM 447 OE1 GLU A 33 3.168 -9.590 5.706 1.00 0.00 O ATOM 448 OE2 GLU A 33 3.175 -11.463 4.640 1.00 0.00 O ATOM 0 H GLU A 33 4.688 -7.553 2.017 1.00 0.00 H new ATOM 0 HA GLU A 33 1.745 -7.698 1.762 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.710 -7.682 4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.971 -7.745 4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.853 -9.828 2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.577 -9.749 2.641 1.00 0.00 H new ATOM 455 N VAL A 34 1.147 -5.345 2.220 1.00 0.00 N ATOM 456 CA VAL A 34 0.788 -3.909 2.417 1.00 0.00 C ATOM 457 C VAL A 34 -0.478 -3.820 3.263 1.00 0.00 C ATOM 458 O VAL A 34 -1.445 -4.530 3.047 1.00 0.00 O ATOM 459 CB VAL A 34 0.547 -3.260 1.056 1.00 0.00 C ATOM 460 CG1 VAL A 34 -0.080 -1.875 1.241 1.00 0.00 C ATOM 461 CG2 VAL A 34 1.887 -3.117 0.332 1.00 0.00 C ATOM 0 H VAL A 34 0.405 -5.920 1.821 1.00 0.00 H new ATOM 0 HA VAL A 34 1.600 -3.389 2.926 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.131 -3.882 0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.249 -1.419 0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.031 -1.973 1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.593 -1.246 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.727 -2.654 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.556 -2.493 0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.334 -4.102 0.197 1.00 0.00 H new ATOM 471 N SER A 35 -0.475 -2.942 4.228 1.00 0.00 N ATOM 472 CA SER A 35 -1.666 -2.777 5.109 1.00 0.00 C ATOM 473 C SER A 35 -1.951 -1.295 5.278 1.00 0.00 C ATOM 474 O SER A 35 -1.046 -0.492 5.404 1.00 0.00 O ATOM 475 CB SER A 35 -1.379 -3.397 6.475 1.00 0.00 C ATOM 476 OG SER A 35 -0.073 -3.022 6.896 1.00 0.00 O ATOM 0 H SER A 35 0.309 -2.326 4.446 1.00 0.00 H new ATOM 0 HA SER A 35 -2.528 -3.272 4.662 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.118 -3.061 7.202 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.458 -4.483 6.418 1.00 0.00 H new ATOM 0 HG SER A 35 0.114 -3.417 7.773 1.00 0.00 H new ATOM 482 N LEU A 36 -3.208 -0.925 5.277 1.00 0.00 N ATOM 483 CA LEU A 36 -3.564 0.518 5.431 1.00 0.00 C ATOM 484 C LEU A 36 -4.449 0.687 6.668 1.00 0.00 C ATOM 485 O LEU A 36 -5.490 0.070 6.799 1.00 0.00 O ATOM 486 CB LEU A 36 -4.317 0.988 4.172 1.00 0.00 C ATOM 487 CG LEU A 36 -4.091 2.495 3.952 1.00 0.00 C ATOM 488 CD1 LEU A 36 -4.464 3.270 5.224 1.00 0.00 C ATOM 489 CD2 LEU A 36 -2.608 2.763 3.585 1.00 0.00 C ATOM 0 H LEU A 36 -4.001 -1.559 5.176 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.662 1.117 5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.971 0.430 3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.382 0.784 4.279 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.724 2.832 3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.302 4.336 5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.513 3.095 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.842 2.930 6.052 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.459 3.832 3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.965 2.419 4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.357 2.226 2.670 1.00 0.00 H new ATOM 501 N PHE A 37 -4.036 1.531 7.577 1.00 0.00 N ATOM 502 CA PHE A 37 -4.832 1.766 8.817 1.00 0.00 C ATOM 503 C PHE A 37 -5.644 3.052 8.674 1.00 0.00 C ATOM 504 O PHE A 37 -5.222 4.007 8.051 1.00 0.00 O ATOM 505 CB PHE A 37 -3.877 1.903 10.000 1.00 0.00 C ATOM 506 CG PHE A 37 -3.210 0.575 10.258 1.00 0.00 C ATOM 507 CD1 PHE A 37 -3.890 -0.416 10.974 1.00 0.00 C ATOM 508 CD2 PHE A 37 -1.917 0.331 9.779 1.00 0.00 C ATOM 509 CE1 PHE A 37 -3.278 -1.651 11.213 1.00 0.00 C ATOM 510 CE2 PHE A 37 -1.304 -0.904 10.018 1.00 0.00 C ATOM 511 CZ PHE A 37 -1.985 -1.896 10.734 1.00 0.00 C ATOM 0 H PHE A 37 -3.174 2.072 7.512 1.00 0.00 H new ATOM 0 HA PHE A 37 -5.511 0.929 8.979 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.127 2.665 9.790 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.422 2.228 10.886 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.888 -0.228 11.342 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.393 1.096 9.225 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.803 -2.415 11.767 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.306 -1.092 9.650 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.513 -2.850 10.917 1.00 0.00 H new ATOM 521 N GLY A 38 -6.813 3.077 9.251 1.00 0.00 N ATOM 522 CA GLY A 38 -7.665 4.294 9.157 1.00 0.00 C ATOM 523 C GLY A 38 -8.964 4.080 9.937 1.00 0.00 C ATOM 524 O GLY A 38 -9.113 3.129 10.679 1.00 0.00 O ATOM 0 H GLY A 38 -7.215 2.306 9.784 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.129 5.156 9.555 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.889 4.512 8.113 1.00 0.00 H new ATOM 528 N SER A 39 -9.900 4.970 9.771 1.00 0.00 N ATOM 529 CA SER A 39 -11.202 4.851 10.488 1.00 0.00 C ATOM 530 C SER A 39 -12.126 3.885 9.736 1.00 0.00 C ATOM 531 O SER A 39 -12.025 2.680 9.864 1.00 0.00 O ATOM 532 CB SER A 39 -11.860 6.230 10.550 1.00 0.00 C ATOM 533 OG SER A 39 -13.262 6.077 10.733 1.00 0.00 O ATOM 0 H SER A 39 -9.819 5.785 9.163 1.00 0.00 H new ATOM 0 HA SER A 39 -11.029 4.470 11.495 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.436 6.811 11.370 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.660 6.782 9.632 1.00 0.00 H new ATOM 0 HG SER A 39 -13.685 6.960 10.775 1.00 0.00 H new ATOM 539 N ASP A 40 -13.039 4.409 8.960 1.00 0.00 N ATOM 540 CA ASP A 40 -13.982 3.527 8.206 1.00 0.00 C ATOM 541 C ASP A 40 -13.343 3.042 6.900 1.00 0.00 C ATOM 542 O ASP A 40 -12.228 3.390 6.564 1.00 0.00 O ATOM 543 CB ASP A 40 -15.266 4.295 7.879 1.00 0.00 C ATOM 544 CG ASP A 40 -16.105 4.462 9.147 1.00 0.00 C ATOM 545 OD1 ASP A 40 -15.814 3.788 10.121 1.00 0.00 O ATOM 546 OD2 ASP A 40 -17.028 5.261 9.121 1.00 0.00 O ATOM 0 H ASP A 40 -13.173 5.410 8.815 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.215 2.665 8.831 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.021 5.272 7.463 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.838 3.760 7.121 1.00 0.00 H new ATOM 551 N LYS A 41 -14.058 2.228 6.169 1.00 0.00 N ATOM 552 CA LYS A 41 -13.531 1.691 4.880 1.00 0.00 C ATOM 553 C LYS A 41 -13.308 2.835 3.885 1.00 0.00 C ATOM 554 O LYS A 41 -12.412 2.795 3.064 1.00 0.00 O ATOM 555 CB LYS A 41 -14.538 0.698 4.298 1.00 0.00 C ATOM 556 CG LYS A 41 -13.927 0.027 3.065 1.00 0.00 C ATOM 557 CD LYS A 41 -14.880 -1.044 2.525 1.00 0.00 C ATOM 558 CE LYS A 41 -14.244 -1.719 1.307 1.00 0.00 C ATOM 559 NZ LYS A 41 -15.154 -2.779 0.788 1.00 0.00 N ATOM 0 H LYS A 41 -14.995 1.909 6.413 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.581 1.189 5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.799 -0.053 5.044 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.460 1.213 4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.731 0.773 2.295 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.969 -0.424 3.323 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.089 -1.784 3.297 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.833 -0.593 2.249 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.050 -0.980 0.530 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.283 -2.154 1.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.719 -3.235 -0.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.318 -3.490 1.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -16.061 -2.353 0.511 1.00 0.00 H new ATOM 573 N ALA A 42 -14.123 3.847 3.943 1.00 0.00 N ATOM 574 CA ALA A 42 -13.972 4.992 2.998 1.00 0.00 C ATOM 575 C ALA A 42 -12.595 5.639 3.185 1.00 0.00 C ATOM 576 O ALA A 42 -11.950 6.051 2.239 1.00 0.00 O ATOM 577 CB ALA A 42 -15.059 6.027 3.297 1.00 0.00 C ATOM 0 H ALA A 42 -14.893 3.934 4.607 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.066 4.635 1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.958 6.869 2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.041 5.571 3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.953 6.380 4.323 1.00 0.00 H new ATOM 583 N HIS A 43 -12.146 5.734 4.402 1.00 0.00 N ATOM 584 CA HIS A 43 -10.813 6.348 4.673 1.00 0.00 C ATOM 585 C HIS A 43 -9.700 5.443 4.129 1.00 0.00 C ATOM 586 O HIS A 43 -8.691 5.904 3.634 1.00 0.00 O ATOM 587 CB HIS A 43 -10.640 6.508 6.187 1.00 0.00 C ATOM 588 CG HIS A 43 -11.486 7.650 6.676 1.00 0.00 C ATOM 589 ND1 HIS A 43 -11.095 8.969 6.531 1.00 0.00 N ATOM 590 CD2 HIS A 43 -12.703 7.686 7.310 1.00 0.00 C ATOM 591 CE1 HIS A 43 -12.060 9.739 7.065 1.00 0.00 C ATOM 592 NE2 HIS A 43 -13.065 9.007 7.555 1.00 0.00 N ATOM 0 H HIS A 43 -12.647 5.411 5.230 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.754 7.320 4.183 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -10.927 5.587 6.695 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.592 6.691 6.426 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -13.290 6.820 7.578 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -12.027 10.818 7.094 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -13.914 9.344 8.010 1.00 0.00 H new ATOM 600 N LEU A 44 -9.877 4.157 4.242 1.00 0.00 N ATOM 601 CA LEU A 44 -8.833 3.204 3.760 1.00 0.00 C ATOM 602 C LEU A 44 -8.657 3.332 2.242 1.00 0.00 C ATOM 603 O LEU A 44 -7.554 3.320 1.730 1.00 0.00 O ATOM 604 CB LEU A 44 -9.278 1.775 4.092 1.00 0.00 C ATOM 605 CG LEU A 44 -9.363 1.586 5.617 1.00 0.00 C ATOM 606 CD1 LEU A 44 -9.881 0.173 5.931 1.00 0.00 C ATOM 607 CD2 LEU A 44 -7.977 1.783 6.259 1.00 0.00 C ATOM 0 H LEU A 44 -10.704 3.720 4.649 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.886 3.432 4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.249 1.574 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.574 1.059 3.668 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.049 2.327 6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.941 0.039 7.011 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.871 0.043 5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.199 -0.566 5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.053 1.646 7.338 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.279 1.053 5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.617 2.789 6.045 1.00 0.00 H new ATOM 619 N GLU A 45 -9.732 3.448 1.522 1.00 0.00 N ATOM 620 CA GLU A 45 -9.631 3.573 0.040 1.00 0.00 C ATOM 621 C GLU A 45 -9.031 4.935 -0.322 1.00 0.00 C ATOM 622 O GLU A 45 -8.247 5.065 -1.245 1.00 0.00 O ATOM 623 CB GLU A 45 -11.031 3.454 -0.569 1.00 0.00 C ATOM 624 CG GLU A 45 -11.550 2.026 -0.385 1.00 0.00 C ATOM 625 CD GLU A 45 -12.977 1.918 -0.930 1.00 0.00 C ATOM 626 OE1 GLU A 45 -13.488 2.919 -1.404 1.00 0.00 O ATOM 627 OE2 GLU A 45 -13.534 0.834 -0.864 1.00 0.00 O ATOM 0 H GLU A 45 -10.682 3.462 1.894 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.990 2.783 -0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.708 4.162 -0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.001 3.707 -1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.899 1.323 -0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.533 1.756 0.671 1.00 0.00 H new ATOM 634 N GLY A 46 -9.404 5.953 0.402 1.00 0.00 N ATOM 635 CA GLY A 46 -8.877 7.320 0.117 1.00 0.00 C ATOM 636 C GLY A 46 -7.360 7.353 0.316 1.00 0.00 C ATOM 637 O GLY A 46 -6.637 7.959 -0.451 1.00 0.00 O ATOM 0 H GLY A 46 -10.056 5.898 1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.123 7.607 -0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.354 8.046 0.776 1.00 0.00 H new ATOM 641 N LYS A 47 -6.875 6.709 1.339 1.00 0.00 N ATOM 642 CA LYS A 47 -5.408 6.697 1.592 1.00 0.00 C ATOM 643 C LYS A 47 -4.749 5.642 0.700 1.00 0.00 C ATOM 644 O LYS A 47 -3.566 5.686 0.423 1.00 0.00 O ATOM 645 CB LYS A 47 -5.163 6.350 3.059 1.00 0.00 C ATOM 646 CG LYS A 47 -5.607 7.521 3.944 1.00 0.00 C ATOM 647 CD LYS A 47 -5.483 7.136 5.425 1.00 0.00 C ATOM 648 CE LYS A 47 -4.011 7.163 5.859 1.00 0.00 C ATOM 649 NZ LYS A 47 -3.926 7.060 7.342 1.00 0.00 N ATOM 0 H LYS A 47 -7.434 6.188 2.014 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.983 7.675 1.368 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.714 5.449 3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.106 6.138 3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.994 8.398 3.735 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.638 7.790 3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.063 7.827 6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.899 6.141 5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.469 6.338 5.395 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.538 8.085 5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.932 7.130 7.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.471 7.832 7.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.316 6.146 7.649 1.00 0.00 H new ATOM 663 N LEU A 48 -5.518 4.692 0.253 1.00 0.00 N ATOM 664 CA LEU A 48 -4.969 3.619 -0.627 1.00 0.00 C ATOM 665 C LEU A 48 -4.526 4.221 -1.964 1.00 0.00 C ATOM 666 O LEU A 48 -3.533 3.822 -2.544 1.00 0.00 O ATOM 667 CB LEU A 48 -6.055 2.562 -0.877 1.00 0.00 C ATOM 668 CG LEU A 48 -5.509 1.433 -1.768 1.00 0.00 C ATOM 669 CD1 LEU A 48 -4.310 0.753 -1.085 1.00 0.00 C ATOM 670 CD2 LEU A 48 -6.619 0.402 -2.010 1.00 0.00 C ATOM 0 H LEU A 48 -6.513 4.610 0.460 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.111 3.156 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.397 2.151 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.919 3.025 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.180 1.851 -2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.931 -0.045 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.523 1.488 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.625 0.333 -0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.238 -0.401 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.947 -0.011 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.462 0.884 -2.505 1.00 0.00 H new ATOM 682 N ALA A 49 -5.270 5.165 -2.465 1.00 0.00 N ATOM 683 CA ALA A 49 -4.918 5.792 -3.774 1.00 0.00 C ATOM 684 C ALA A 49 -3.503 6.372 -3.709 1.00 0.00 C ATOM 685 O ALA A 49 -2.765 6.367 -4.676 1.00 0.00 O ATOM 686 CB ALA A 49 -5.912 6.920 -4.066 1.00 0.00 C ATOM 0 H ALA A 49 -6.112 5.533 -2.024 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.961 5.040 -4.562 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.664 7.385 -5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.922 6.512 -4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.858 7.666 -3.274 1.00 0.00 H new ATOM 692 N GLU A 50 -3.125 6.876 -2.573 1.00 0.00 N ATOM 693 CA GLU A 50 -1.764 7.465 -2.418 1.00 0.00 C ATOM 694 C GLU A 50 -0.711 6.358 -2.527 1.00 0.00 C ATOM 695 O GLU A 50 0.332 6.524 -3.131 1.00 0.00 O ATOM 696 CB GLU A 50 -1.664 8.120 -1.033 1.00 0.00 C ATOM 697 CG GLU A 50 -2.471 9.427 -0.992 1.00 0.00 C ATOM 698 CD GLU A 50 -3.960 9.125 -0.807 1.00 0.00 C ATOM 699 OE1 GLU A 50 -4.313 7.962 -0.816 1.00 0.00 O ATOM 700 OE2 GLU A 50 -4.722 10.068 -0.664 1.00 0.00 O ATOM 0 H GLU A 50 -3.704 6.907 -1.734 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.592 8.207 -3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.035 7.433 -0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.620 8.324 -0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.116 10.056 -0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.318 9.986 -1.915 1.00 0.00 H new ATOM 707 N TYR A 51 -0.981 5.232 -1.940 1.00 0.00 N ATOM 708 CA TYR A 51 -0.012 4.098 -1.985 1.00 0.00 C ATOM 709 C TYR A 51 0.236 3.684 -3.439 1.00 0.00 C ATOM 710 O TYR A 51 1.353 3.422 -3.846 1.00 0.00 O ATOM 711 CB TYR A 51 -0.610 2.913 -1.207 1.00 0.00 C ATOM 712 CG TYR A 51 -0.285 3.032 0.268 1.00 0.00 C ATOM 713 CD1 TYR A 51 -0.461 4.250 0.936 1.00 0.00 C ATOM 714 CD2 TYR A 51 0.196 1.916 0.966 1.00 0.00 C ATOM 715 CE1 TYR A 51 -0.155 4.352 2.295 1.00 0.00 C ATOM 716 CE2 TYR A 51 0.502 2.021 2.324 1.00 0.00 C ATOM 717 CZ TYR A 51 0.328 3.239 2.989 1.00 0.00 C ATOM 718 OH TYR A 51 0.633 3.343 4.330 1.00 0.00 O ATOM 0 H TYR A 51 -1.840 5.042 -1.424 1.00 0.00 H new ATOM 0 HA TYR A 51 0.935 4.401 -1.538 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.691 2.886 -1.347 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.215 1.976 -1.599 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.833 5.111 0.400 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.330 0.975 0.453 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.292 5.291 2.810 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.873 1.161 2.861 1.00 0.00 H new ATOM 0 HH TYR A 51 1.510 3.768 4.434 1.00 0.00 H new ATOM 728 N ILE A 52 -0.800 3.616 -4.218 1.00 0.00 N ATOM 729 CA ILE A 52 -0.645 3.214 -5.644 1.00 0.00 C ATOM 730 C ILE A 52 0.198 4.258 -6.384 1.00 0.00 C ATOM 731 O ILE A 52 1.054 3.930 -7.185 1.00 0.00 O ATOM 732 CB ILE A 52 -2.030 3.127 -6.293 1.00 0.00 C ATOM 733 CG1 ILE A 52 -2.808 1.955 -5.683 1.00 0.00 C ATOM 734 CG2 ILE A 52 -1.885 2.915 -7.803 1.00 0.00 C ATOM 735 CD1 ILE A 52 -4.275 2.037 -6.111 1.00 0.00 C ATOM 0 H ILE A 52 -1.756 3.822 -3.929 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.149 2.245 -5.699 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.570 4.057 -6.112 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.376 1.009 -6.009 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.733 1.982 -4.596 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.873 2.854 -8.258 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.337 3.751 -8.237 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.342 1.989 -7.990 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.828 1.204 -5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.704 2.977 -5.763 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.340 1.989 -7.198 1.00 0.00 H new ATOM 747 N SER A 53 -0.053 5.510 -6.136 1.00 0.00 N ATOM 748 CA SER A 53 0.713 6.582 -6.838 1.00 0.00 C ATOM 749 C SER A 53 2.218 6.345 -6.673 1.00 0.00 C ATOM 750 O SER A 53 2.966 6.325 -7.633 1.00 0.00 O ATOM 751 CB SER A 53 0.350 7.930 -6.212 1.00 0.00 C ATOM 752 OG SER A 53 -1.052 8.139 -6.316 1.00 0.00 O ATOM 0 H SER A 53 -0.757 5.842 -5.476 1.00 0.00 H new ATOM 0 HA SER A 53 0.464 6.573 -7.899 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.655 7.951 -5.166 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.887 8.734 -6.716 1.00 0.00 H new ATOM 0 HG SER A 53 -1.513 7.618 -5.625 1.00 0.00 H new ATOM 758 N LEU A 54 2.665 6.165 -5.466 1.00 0.00 N ATOM 759 CA LEU A 54 4.119 5.924 -5.226 1.00 0.00 C ATOM 760 C LEU A 54 4.542 4.590 -5.853 1.00 0.00 C ATOM 761 O LEU A 54 5.606 4.465 -6.427 1.00 0.00 O ATOM 762 CB LEU A 54 4.370 5.887 -3.713 1.00 0.00 C ATOM 763 CG LEU A 54 4.503 7.319 -3.169 1.00 0.00 C ATOM 764 CD1 LEU A 54 5.811 7.974 -3.674 1.00 0.00 C ATOM 765 CD2 LEU A 54 3.292 8.149 -3.626 1.00 0.00 C ATOM 0 H LEU A 54 2.085 6.174 -4.627 1.00 0.00 H new ATOM 0 HA LEU A 54 4.703 6.724 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.550 5.373 -3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.277 5.322 -3.500 1.00 0.00 H new ATOM 0 HG LEU A 54 4.535 7.284 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.887 8.987 -3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.666 7.387 -3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.803 8.010 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.382 9.165 -3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.258 8.174 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.376 7.697 -3.245 1.00 0.00 H new ATOM 777 N ALA A 55 3.718 3.592 -5.730 1.00 0.00 N ATOM 778 CA ALA A 55 4.064 2.260 -6.299 1.00 0.00 C ATOM 779 C ALA A 55 4.151 2.347 -7.829 1.00 0.00 C ATOM 780 O ALA A 55 4.992 1.725 -8.451 1.00 0.00 O ATOM 781 CB ALA A 55 2.981 1.254 -5.899 1.00 0.00 C ATOM 0 H ALA A 55 2.815 3.639 -5.258 1.00 0.00 H new ATOM 0 HA ALA A 55 5.031 1.938 -5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.224 0.274 -6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.929 1.188 -4.812 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.018 1.582 -6.289 1.00 0.00 H new ATOM 787 N LYS A 56 3.280 3.104 -8.438 1.00 0.00 N ATOM 788 CA LYS A 56 3.302 3.229 -9.922 1.00 0.00 C ATOM 789 C LYS A 56 4.617 3.883 -10.366 1.00 0.00 C ATOM 790 O LYS A 56 5.234 3.474 -11.330 1.00 0.00 O ATOM 791 CB LYS A 56 2.118 4.097 -10.371 1.00 0.00 C ATOM 792 CG LYS A 56 1.840 3.861 -11.856 1.00 0.00 C ATOM 793 CD LYS A 56 0.594 4.643 -12.288 1.00 0.00 C ATOM 794 CE LYS A 56 0.354 4.447 -13.790 1.00 0.00 C ATOM 795 NZ LYS A 56 0.426 2.996 -14.126 1.00 0.00 N ATOM 0 H LYS A 56 2.552 3.643 -7.970 1.00 0.00 H new ATOM 0 HA LYS A 56 3.225 2.240 -10.374 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.233 3.855 -9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.339 5.150 -10.195 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.699 4.174 -12.449 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.694 2.797 -12.042 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.274 4.302 -11.724 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.723 5.702 -12.066 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.622 4.846 -14.067 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.099 5.000 -14.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.026 2.830 -15.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.422 2.699 -14.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.068 2.445 -13.395 1.00 0.00 H new ATOM 809 N GLN A 57 5.041 4.901 -9.671 1.00 0.00 N ATOM 810 CA GLN A 57 6.311 5.592 -10.047 1.00 0.00 C ATOM 811 C GLN A 57 7.494 4.641 -9.848 1.00 0.00 C ATOM 812 O GLN A 57 8.384 4.551 -10.671 1.00 0.00 O ATOM 813 CB GLN A 57 6.499 6.820 -9.150 1.00 0.00 C ATOM 814 CG GLN A 57 5.435 7.870 -9.480 1.00 0.00 C ATOM 815 CD GLN A 57 5.569 9.059 -8.526 1.00 0.00 C ATOM 816 OE1 GLN A 57 6.654 9.568 -8.315 1.00 0.00 O ATOM 817 NE2 GLN A 57 4.504 9.528 -7.935 1.00 0.00 N ATOM 0 H GLN A 57 4.563 5.287 -8.857 1.00 0.00 H new ATOM 0 HA GLN A 57 6.262 5.897 -11.092 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.425 6.531 -8.102 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.495 7.239 -9.296 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.548 8.204 -10.511 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.440 7.433 -9.394 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.594 9.102 -8.111 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.582 10.320 -7.297 1.00 0.00 H new ATOM 826 N VAL A 58 7.508 3.934 -8.753 1.00 0.00 N ATOM 827 CA VAL A 58 8.627 2.984 -8.483 1.00 0.00 C ATOM 828 C VAL A 58 8.604 1.859 -9.520 1.00 0.00 C ATOM 829 O VAL A 58 9.626 1.480 -10.059 1.00 0.00 O ATOM 830 CB VAL A 58 8.456 2.399 -7.080 1.00 0.00 C ATOM 831 CG1 VAL A 58 9.481 1.286 -6.849 1.00 0.00 C ATOM 832 CG2 VAL A 58 8.664 3.504 -6.043 1.00 0.00 C ATOM 0 H VAL A 58 6.790 3.972 -8.029 1.00 0.00 H new ATOM 0 HA VAL A 58 9.581 3.508 -8.547 1.00 0.00 H new ATOM 0 HB VAL A 58 7.452 1.986 -6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.352 0.875 -5.848 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.334 0.497 -7.587 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.488 1.692 -6.948 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.543 3.091 -5.042 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.668 3.916 -6.147 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.930 4.294 -6.201 1.00 0.00 H new ATOM 842 N TYR A 59 7.443 1.320 -9.798 1.00 0.00 N ATOM 843 CA TYR A 59 7.337 0.211 -10.798 1.00 0.00 C ATOM 844 C TYR A 59 6.290 0.577 -11.855 1.00 0.00 C ATOM 845 O TYR A 59 5.204 1.034 -11.552 1.00 0.00 O ATOM 846 CB TYR A 59 6.936 -1.084 -10.088 1.00 0.00 C ATOM 847 CG TYR A 59 7.011 -2.239 -11.061 1.00 0.00 C ATOM 848 CD1 TYR A 59 8.238 -2.872 -11.301 1.00 0.00 C ATOM 849 CD2 TYR A 59 5.857 -2.679 -11.719 1.00 0.00 C ATOM 850 CE1 TYR A 59 8.309 -3.943 -12.200 1.00 0.00 C ATOM 851 CE2 TYR A 59 5.929 -3.751 -12.618 1.00 0.00 C ATOM 852 CZ TYR A 59 7.155 -4.383 -12.859 1.00 0.00 C ATOM 853 OH TYR A 59 7.226 -5.440 -13.744 1.00 0.00 O ATOM 0 H TYR A 59 6.559 1.601 -9.374 1.00 0.00 H new ATOM 0 HA TYR A 59 8.301 0.064 -11.285 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.597 -1.266 -9.240 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.925 -0.995 -9.691 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.129 -2.534 -10.793 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.911 -2.192 -11.534 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.255 -4.430 -12.385 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.038 -4.090 -13.126 1.00 0.00 H new ATOM 0 HH TYR A 59 6.336 -5.618 -14.113 1.00 0.00 H new ATOM 863 N ALA A 60 6.633 0.389 -13.099 1.00 0.00 N ATOM 864 CA ALA A 60 5.705 0.724 -14.219 1.00 0.00 C ATOM 865 C ALA A 60 4.284 0.234 -13.924 1.00 0.00 C ATOM 866 O ALA A 60 3.525 0.867 -13.215 1.00 0.00 O ATOM 867 CB ALA A 60 6.207 0.043 -15.491 1.00 0.00 C ATOM 0 H ALA A 60 7.533 0.011 -13.393 1.00 0.00 H new ATOM 0 HA ALA A 60 5.680 1.807 -14.340 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.538 0.279 -16.318 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.211 0.399 -15.723 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.231 -1.036 -15.341 1.00 0.00 H new ATOM 873 N ASN A 61 3.913 -0.885 -14.488 1.00 0.00 N ATOM 874 CA ASN A 61 2.538 -1.417 -14.267 1.00 0.00 C ATOM 875 C ASN A 61 2.524 -2.275 -13.001 1.00 0.00 C ATOM 876 O ASN A 61 2.755 -3.469 -13.032 1.00 0.00 O ATOM 877 CB ASN A 61 2.123 -2.258 -15.479 1.00 0.00 C ATOM 878 CG ASN A 61 1.968 -1.350 -16.706 1.00 0.00 C ATOM 879 OD1 ASN A 61 1.773 -0.069 -16.543 1.00 0.00 O flip ATOM 880 ND2 ASN A 61 2.027 -1.815 -17.829 1.00 0.00 N flip ATOM 0 H ASN A 61 4.505 -1.454 -15.093 1.00 0.00 H new ATOM 0 HA ASN A 61 1.835 -0.593 -14.145 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.871 -3.026 -15.675 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.184 -2.772 -15.273 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.179 -2.815 -17.960 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.924 -1.205 -18.640 1.00 0.00 H new ATOM 887 N VAL A 62 2.250 -1.660 -11.881 1.00 0.00 N ATOM 888 CA VAL A 62 2.213 -2.410 -10.594 1.00 0.00 C ATOM 889 C VAL A 62 0.879 -3.140 -10.460 1.00 0.00 C ATOM 890 O VAL A 62 -0.172 -2.602 -10.751 1.00 0.00 O ATOM 891 CB VAL A 62 2.392 -1.437 -9.426 1.00 0.00 C ATOM 892 CG1 VAL A 62 1.251 -0.416 -9.408 1.00 0.00 C ATOM 893 CG2 VAL A 62 2.393 -2.217 -8.109 1.00 0.00 C ATOM 0 H VAL A 62 2.049 -0.663 -11.803 1.00 0.00 H new ATOM 0 HA VAL A 62 3.022 -3.140 -10.580 1.00 0.00 H new ATOM 0 HB VAL A 62 3.339 -0.911 -9.546 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.390 0.270 -8.573 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.250 0.145 -10.342 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.299 -0.936 -9.296 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.520 -1.525 -7.276 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.447 -2.747 -7.999 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.213 -2.936 -8.112 1.00 0.00 H new ATOM 903 N GLU A 63 0.921 -4.373 -10.019 1.00 0.00 N ATOM 904 CA GLU A 63 -0.331 -5.173 -9.856 1.00 0.00 C ATOM 905 C GLU A 63 -0.559 -5.451 -8.372 1.00 0.00 C ATOM 906 O GLU A 63 0.358 -5.751 -7.631 1.00 0.00 O ATOM 907 CB GLU A 63 -0.189 -6.496 -10.608 1.00 0.00 C ATOM 908 CG GLU A 63 -1.495 -7.286 -10.493 1.00 0.00 C ATOM 909 CD GLU A 63 -1.387 -8.593 -11.279 1.00 0.00 C ATOM 910 OE1 GLU A 63 -0.285 -8.929 -11.685 1.00 0.00 O ATOM 911 OE2 GLU A 63 -2.407 -9.235 -11.462 1.00 0.00 O ATOM 0 H GLU A 63 1.778 -4.863 -9.763 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.178 -4.617 -10.258 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.045 -6.309 -11.656 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.637 -7.075 -10.196 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.710 -7.499 -9.446 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.325 -6.690 -10.874 1.00 0.00 H new ATOM 918 N TYR A 64 -1.783 -5.344 -7.931 1.00 0.00 N ATOM 919 CA TYR A 64 -2.089 -5.588 -6.492 1.00 0.00 C ATOM 920 C TYR A 64 -3.494 -6.169 -6.349 1.00 0.00 C ATOM 921 O TYR A 64 -4.313 -6.086 -7.246 1.00 0.00 O ATOM 922 CB TYR A 64 -2.012 -4.266 -5.727 1.00 0.00 C ATOM 923 CG TYR A 64 -2.977 -3.268 -6.326 1.00 0.00 C ATOM 924 CD1 TYR A 64 -2.559 -2.426 -7.364 1.00 0.00 C ATOM 925 CD2 TYR A 64 -4.288 -3.180 -5.839 1.00 0.00 C ATOM 926 CE1 TYR A 64 -3.451 -1.497 -7.916 1.00 0.00 C ATOM 927 CE2 TYR A 64 -5.180 -2.250 -6.391 1.00 0.00 C ATOM 928 CZ TYR A 64 -4.761 -1.408 -7.430 1.00 0.00 C ATOM 929 OH TYR A 64 -5.639 -0.492 -7.973 1.00 0.00 O ATOM 0 H TYR A 64 -2.587 -5.097 -8.508 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.364 -6.294 -6.087 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.250 -4.430 -4.676 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.997 -3.872 -5.766 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.548 -2.493 -7.739 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.611 -3.829 -5.038 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.128 -0.849 -8.717 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.190 -2.182 -6.015 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.506 -0.563 -7.522 1.00 0.00 H new ATOM 939 N GLU A 65 -3.778 -6.755 -5.216 1.00 0.00 N ATOM 940 CA GLU A 65 -5.130 -7.344 -4.985 1.00 0.00 C ATOM 941 C GLU A 65 -5.560 -7.040 -3.555 1.00 0.00 C ATOM 942 O GLU A 65 -4.751 -6.986 -2.647 1.00 0.00 O ATOM 943 CB GLU A 65 -5.075 -8.859 -5.193 1.00 0.00 C ATOM 944 CG GLU A 65 -6.490 -9.443 -5.121 1.00 0.00 C ATOM 945 CD GLU A 65 -7.297 -8.986 -6.339 1.00 0.00 C ATOM 946 OE1 GLU A 65 -6.706 -8.400 -7.232 1.00 0.00 O ATOM 947 OE2 GLU A 65 -8.489 -9.235 -6.361 1.00 0.00 O ATOM 0 H GLU A 65 -3.128 -6.852 -4.436 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.845 -6.915 -5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.626 -9.087 -6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.443 -9.317 -4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.444 -10.532 -5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.982 -9.119 -4.204 1.00 0.00 H new ATOM 954 N VAL A 66 -6.837 -6.830 -3.355 1.00 0.00 N ATOM 955 CA VAL A 66 -7.358 -6.508 -1.992 1.00 0.00 C ATOM 956 C VAL A 66 -8.285 -7.622 -1.510 1.00 0.00 C ATOM 957 O VAL A 66 -9.214 -8.021 -2.188 1.00 0.00 O ATOM 958 CB VAL A 66 -8.128 -5.189 -2.057 1.00 0.00 C ATOM 959 CG1 VAL A 66 -7.167 -4.061 -2.435 1.00 0.00 C ATOM 960 CG2 VAL A 66 -9.245 -5.282 -3.104 1.00 0.00 C ATOM 0 H VAL A 66 -7.548 -6.868 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.526 -6.418 -1.294 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.572 -4.985 -1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.713 -3.119 -2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.380 -3.987 -1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.723 -4.272 -3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.787 -4.337 -3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.811 -5.491 -4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.932 -6.084 -2.833 1.00 0.00 H new ATOM 970 N ALA A 67 -8.026 -8.123 -0.333 1.00 0.00 N ATOM 971 CA ALA A 67 -8.864 -9.215 0.232 1.00 0.00 C ATOM 972 C ALA A 67 -10.153 -8.621 0.825 1.00 0.00 C ATOM 973 O ALA A 67 -10.296 -7.420 0.928 1.00 0.00 O ATOM 974 CB ALA A 67 -8.064 -9.959 1.324 1.00 0.00 C ATOM 0 H ALA A 67 -7.260 -7.817 0.267 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.132 -9.920 -0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.675 -10.760 1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.159 -10.382 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.793 -9.261 2.116 1.00 0.00 H new ATOM 980 N PRO A 68 -11.076 -9.465 1.216 1.00 0.00 N ATOM 981 CA PRO A 68 -12.369 -9.017 1.816 1.00 0.00 C ATOM 982 C PRO A 68 -12.163 -8.035 2.978 1.00 0.00 C ATOM 983 O PRO A 68 -11.400 -8.283 3.894 1.00 0.00 O ATOM 984 CB PRO A 68 -13.011 -10.323 2.317 1.00 0.00 C ATOM 985 CG PRO A 68 -12.402 -11.404 1.482 1.00 0.00 C ATOM 986 CD PRO A 68 -10.991 -10.935 1.128 1.00 0.00 C ATOM 0 HA PRO A 68 -12.985 -8.479 1.096 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.807 -10.481 3.376 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.095 -10.299 2.201 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.372 -12.346 2.029 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.991 -11.577 0.581 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.251 -11.335 1.821 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.700 -11.260 0.129 1.00 0.00 H new ATOM 994 N VAL A 69 -12.848 -6.919 2.941 1.00 0.00 N ATOM 995 CA VAL A 69 -12.718 -5.900 4.027 1.00 0.00 C ATOM 996 C VAL A 69 -14.109 -5.461 4.500 1.00 0.00 C ATOM 997 O VAL A 69 -14.994 -5.182 3.715 1.00 0.00 O ATOM 998 CB VAL A 69 -11.938 -4.695 3.497 1.00 0.00 C ATOM 999 CG1 VAL A 69 -12.036 -3.535 4.493 1.00 0.00 C ATOM 1000 CG2 VAL A 69 -10.467 -5.091 3.321 1.00 0.00 C ATOM 0 H VAL A 69 -13.499 -6.668 2.196 1.00 0.00 H new ATOM 0 HA VAL A 69 -12.183 -6.333 4.872 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.356 -4.382 2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.479 -2.679 4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.082 -3.257 4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.617 -3.842 5.451 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.903 -4.238 2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.056 -5.401 4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.395 -5.916 2.612 1.00 0.00 H new ATOM 1010 N ALA A 70 -14.293 -5.401 5.790 1.00 0.00 N ATOM 1011 CA ALA A 70 -15.608 -4.986 6.354 1.00 0.00 C ATOM 1012 C ALA A 70 -15.817 -3.480 6.165 1.00 0.00 C ATOM 1013 O ALA A 70 -14.880 -2.708 6.095 1.00 0.00 O ATOM 1014 CB ALA A 70 -15.642 -5.326 7.847 1.00 0.00 C ATOM 0 H ALA A 70 -13.580 -5.624 6.485 1.00 0.00 H new ATOM 0 HA ALA A 70 -16.405 -5.517 5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -16.602 -5.025 8.267 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -15.509 -6.400 7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -14.839 -4.795 8.359 1.00 0.00 H new ATOM 1020 N ASP A 71 -17.050 -3.066 6.093 1.00 0.00 N ATOM 1021 CA ASP A 71 -17.355 -1.617 5.925 1.00 0.00 C ATOM 1022 C ASP A 71 -16.857 -0.849 7.152 1.00 0.00 C ATOM 1023 O ASP A 71 -16.383 0.267 7.056 1.00 0.00 O ATOM 1024 CB ASP A 71 -18.868 -1.441 5.796 1.00 0.00 C ATOM 1025 CG ASP A 71 -19.198 0.039 5.613 1.00 0.00 C ATOM 1026 OD1 ASP A 71 -18.285 0.844 5.697 1.00 0.00 O ATOM 1027 OD2 ASP A 71 -20.360 0.343 5.396 1.00 0.00 O ATOM 0 H ASP A 71 -17.867 -3.674 6.144 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.860 -1.235 5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -19.240 -2.015 4.947 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -19.366 -1.828 6.685 1.00 0.00 H new ATOM 1032 N ASN A 72 -16.959 -1.445 8.310 1.00 0.00 N ATOM 1033 CA ASN A 72 -16.494 -0.768 9.557 1.00 0.00 C ATOM 1034 C ASN A 72 -15.066 -1.227 9.862 1.00 0.00 C ATOM 1035 O ASN A 72 -14.578 -1.110 10.970 1.00 0.00 O ATOM 1036 CB ASN A 72 -17.427 -1.147 10.717 1.00 0.00 C ATOM 1037 CG ASN A 72 -17.376 -2.659 10.960 1.00 0.00 C ATOM 1038 OD1 ASN A 72 -16.526 -3.348 10.432 1.00 0.00 O ATOM 1039 ND2 ASN A 72 -18.264 -3.207 11.748 1.00 0.00 N ATOM 0 H ASN A 72 -17.347 -2.378 8.447 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.509 0.314 9.428 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -17.131 -0.615 11.621 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -18.448 -0.842 10.488 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -18.243 -4.212 11.919 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -18.978 -2.629 12.192 1.00 0.00 H new ATOM 1046 N ALA A 73 -14.394 -1.754 8.874 1.00 0.00 N ATOM 1047 CA ALA A 73 -12.999 -2.235 9.079 1.00 0.00 C ATOM 1048 C ALA A 73 -12.080 -1.066 9.432 1.00 0.00 C ATOM 1049 O ALA A 73 -12.219 0.030 8.924 1.00 0.00 O ATOM 1050 CB ALA A 73 -12.496 -2.892 7.794 1.00 0.00 C ATOM 0 H ALA A 73 -14.755 -1.872 7.927 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.992 -2.955 9.897 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.475 -3.245 7.941 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.139 -3.735 7.541 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.515 -2.165 6.982 1.00 0.00 H new ATOM 1056 N THR A 74 -11.128 -1.306 10.293 1.00 0.00 N ATOM 1057 CA THR A 74 -10.165 -0.239 10.695 1.00 0.00 C ATOM 1058 C THR A 74 -8.816 -0.524 10.031 1.00 0.00 C ATOM 1059 O THR A 74 -7.862 0.212 10.191 1.00 0.00 O ATOM 1060 CB THR A 74 -10.004 -0.255 12.217 1.00 0.00 C ATOM 1061 OG1 THR A 74 -9.114 -1.299 12.587 1.00 0.00 O ATOM 1062 CG2 THR A 74 -11.367 -0.489 12.875 1.00 0.00 C ATOM 0 H THR A 74 -10.974 -2.209 10.741 1.00 0.00 H new ATOM 0 HA THR A 74 -10.531 0.739 10.383 1.00 0.00 H new ATOM 0 HB THR A 74 -9.602 0.702 12.549 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.009 -1.309 13.561 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.251 -0.500 13.959 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.050 0.312 12.592 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.772 -1.445 12.544 1.00 0.00 H new ATOM 1070 N GLU A 75 -8.730 -1.593 9.280 1.00 0.00 N ATOM 1071 CA GLU A 75 -7.444 -1.931 8.599 1.00 0.00 C ATOM 1072 C GLU A 75 -7.738 -2.486 7.209 1.00 0.00 C ATOM 1073 O GLU A 75 -8.797 -3.026 6.952 1.00 0.00 O ATOM 1074 CB GLU A 75 -6.682 -2.983 9.408 1.00 0.00 C ATOM 1075 CG GLU A 75 -5.329 -3.252 8.742 1.00 0.00 C ATOM 1076 CD GLU A 75 -4.510 -4.211 9.603 1.00 0.00 C ATOM 1077 OE1 GLU A 75 -4.877 -4.405 10.750 1.00 0.00 O ATOM 1078 OE2 GLU A 75 -3.527 -4.733 9.102 1.00 0.00 O ATOM 0 H GLU A 75 -9.495 -2.246 9.109 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.837 -1.029 8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.534 -2.635 10.430 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.262 -3.904 9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.480 -3.678 7.750 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.787 -2.316 8.608 1.00 0.00 H new ATOM 1085 N LEU A 76 -6.800 -2.354 6.307 1.00 0.00 N ATOM 1086 CA LEU A 76 -6.997 -2.862 4.917 1.00 0.00 C ATOM 1087 C LEU A 76 -5.978 -3.956 4.626 1.00 0.00 C ATOM 1088 O LEU A 76 -4.796 -3.805 4.874 1.00 0.00 O ATOM 1089 CB LEU A 76 -6.785 -1.718 3.927 1.00 0.00 C ATOM 1090 CG LEU A 76 -7.258 -2.147 2.522 1.00 0.00 C ATOM 1091 CD1 LEU A 76 -8.755 -1.854 2.361 1.00 0.00 C ATOM 1092 CD2 LEU A 76 -6.474 -1.378 1.451 1.00 0.00 C ATOM 0 H LEU A 76 -5.897 -1.911 6.476 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.007 -3.260 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.337 -0.836 4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.731 -1.442 3.897 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.083 -3.216 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.081 -2.160 1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.317 -2.408 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.933 -0.786 2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.812 -1.685 0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.641 -0.308 1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.410 -1.593 1.554 1.00 0.00 H new ATOM 1104 N HIS A 77 -6.437 -5.060 4.093 1.00 0.00 N ATOM 1105 CA HIS A 77 -5.520 -6.192 3.766 1.00 0.00 C ATOM 1106 C HIS A 77 -5.315 -6.247 2.253 1.00 0.00 C ATOM 1107 O HIS A 77 -6.204 -6.607 1.503 1.00 0.00 O ATOM 1108 CB HIS A 77 -6.149 -7.500 4.246 1.00 0.00 C ATOM 1109 CG HIS A 77 -5.113 -8.588 4.225 1.00 0.00 C ATOM 1110 ND1 HIS A 77 -3.876 -8.657 3.637 1.00 0.00 N flip ATOM 1111 CD2 HIS A 77 -5.288 -9.794 4.885 1.00 0.00 C flip ATOM 1112 CE1 HIS A 77 -3.287 -9.882 3.927 1.00 0.00 C flip ATOM 1113 NE2 HIS A 77 -4.179 -10.529 4.682 1.00 0.00 N flip ATOM 0 H HIS A 77 -7.418 -5.226 3.869 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.559 -6.048 4.259 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -6.544 -7.378 5.255 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -6.989 -7.769 3.605 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -6.155 -10.090 5.457 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -2.317 -10.235 3.610 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -4.037 -11.466 5.059 1.00 0.00 H new ATOM 1121 N ALA A 78 -4.146 -5.881 1.796 1.00 0.00 N ATOM 1122 CA ALA A 78 -3.874 -5.895 0.329 1.00 0.00 C ATOM 1123 C ALA A 78 -2.405 -6.242 0.083 1.00 0.00 C ATOM 1124 O ALA A 78 -1.564 -6.101 0.950 1.00 0.00 O ATOM 1125 CB ALA A 78 -4.175 -4.514 -0.257 1.00 0.00 C ATOM 0 H ALA A 78 -3.367 -5.572 2.377 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.508 -6.642 -0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.977 -4.522 -1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.222 -4.265 -0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.541 -3.769 0.223 1.00 0.00 H new ATOM 1131 N ARG A 79 -2.097 -6.699 -1.105 1.00 0.00 N ATOM 1132 CA ARG A 79 -0.688 -7.069 -1.445 1.00 0.00 C ATOM 1133 C ARG A 79 -0.308 -6.439 -2.785 1.00 0.00 C ATOM 1134 O ARG A 79 -1.139 -6.250 -3.653 1.00 0.00 O ATOM 1135 CB ARG A 79 -0.581 -8.590 -1.557 1.00 0.00 C ATOM 1136 CG ARG A 79 -0.802 -9.217 -0.181 1.00 0.00 C ATOM 1137 CD ARG A 79 -0.719 -10.741 -0.292 1.00 0.00 C ATOM 1138 NE ARG A 79 -1.848 -11.244 -1.130 1.00 0.00 N ATOM 1139 CZ ARG A 79 -3.033 -11.425 -0.607 1.00 0.00 C ATOM 1140 NH1 ARG A 79 -3.245 -11.171 0.657 1.00 0.00 N ATOM 1141 NH2 ARG A 79 -4.007 -11.867 -1.352 1.00 0.00 N ATOM 0 H ARG A 79 -2.768 -6.833 -1.861 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.016 -6.708 -0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.321 -8.967 -2.263 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.399 -8.869 -1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.052 -8.852 0.521 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.776 -8.923 0.212 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.234 -11.032 -0.735 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.760 -11.191 0.700 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.694 -11.448 -2.117 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.484 -10.829 1.243 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.172 -11.315 1.058 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.843 -12.070 -2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.933 -12.010 -0.949 1.00 0.00 H new ATOM 1155 N PHE A 80 0.949 -6.109 -2.955 1.00 0.00 N ATOM 1156 CA PHE A 80 1.415 -5.481 -4.235 1.00 0.00 C ATOM 1157 C PHE A 80 2.504 -6.344 -4.861 1.00 0.00 C ATOM 1158 O PHE A 80 3.283 -6.982 -4.180 1.00 0.00 O ATOM 1159 CB PHE A 80 1.983 -4.091 -3.937 1.00 0.00 C ATOM 1160 CG PHE A 80 0.843 -3.126 -3.710 1.00 0.00 C ATOM 1161 CD1 PHE A 80 0.071 -3.222 -2.550 1.00 0.00 C ATOM 1162 CD2 PHE A 80 0.561 -2.137 -4.660 1.00 0.00 C ATOM 1163 CE1 PHE A 80 -0.986 -2.331 -2.336 1.00 0.00 C ATOM 1164 CE2 PHE A 80 -0.495 -1.245 -4.448 1.00 0.00 C ATOM 1165 CZ PHE A 80 -1.270 -1.342 -3.286 1.00 0.00 C ATOM 0 H PHE A 80 1.680 -6.248 -2.257 1.00 0.00 H new ATOM 0 HA PHE A 80 0.576 -5.398 -4.925 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.624 -4.128 -3.056 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.602 -3.752 -4.768 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.290 -3.985 -1.818 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.159 -2.063 -5.556 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.583 -2.406 -1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.713 -0.482 -5.180 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.087 -0.654 -3.122 1.00 0.00 H new ATOM 1175 N LYS A 81 2.560 -6.362 -6.171 1.00 0.00 N ATOM 1176 CA LYS A 81 3.590 -7.173 -6.882 1.00 0.00 C ATOM 1177 C LYS A 81 4.617 -6.241 -7.519 1.00 0.00 C ATOM 1178 O LYS A 81 4.320 -5.485 -8.425 1.00 0.00 O ATOM 1179 CB LYS A 81 2.911 -8.008 -7.966 1.00 0.00 C ATOM 1180 CG LYS A 81 3.946 -8.924 -8.620 1.00 0.00 C ATOM 1181 CD LYS A 81 3.261 -9.817 -9.656 1.00 0.00 C ATOM 1182 CE LYS A 81 4.296 -10.741 -10.298 1.00 0.00 C ATOM 1183 NZ LYS A 81 4.834 -11.675 -9.268 1.00 0.00 N ATOM 0 H LYS A 81 1.928 -5.843 -6.781 1.00 0.00 H new ATOM 0 HA LYS A 81 4.092 -7.834 -6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.105 -8.601 -7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.460 -7.356 -8.715 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.724 -8.328 -9.097 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.434 -9.537 -7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.476 -10.406 -9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.782 -9.204 -10.420 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.841 -11.304 -11.113 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.106 -10.153 -10.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.873 -11.664 -9.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.512 -11.375 -8.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.492 -12.638 -9.461 1.00 0.00 H new ATOM 1197 N PHE A 82 5.831 -6.296 -7.044 1.00 0.00 N ATOM 1198 CA PHE A 82 6.914 -5.427 -7.594 1.00 0.00 C ATOM 1199 C PHE A 82 7.788 -6.241 -8.550 1.00 0.00 C ATOM 1200 O PHE A 82 7.378 -6.605 -9.636 1.00 0.00 O ATOM 1201 CB PHE A 82 7.771 -4.920 -6.432 1.00 0.00 C ATOM 1202 CG PHE A 82 6.989 -3.911 -5.629 1.00 0.00 C ATOM 1203 CD1 PHE A 82 6.977 -2.568 -6.020 1.00 0.00 C ATOM 1204 CD2 PHE A 82 6.274 -4.317 -4.496 1.00 0.00 C ATOM 1205 CE1 PHE A 82 6.250 -1.631 -5.281 1.00 0.00 C ATOM 1206 CE2 PHE A 82 5.548 -3.379 -3.755 1.00 0.00 C ATOM 1207 CZ PHE A 82 5.535 -2.035 -4.148 1.00 0.00 C ATOM 0 H PHE A 82 6.124 -6.914 -6.288 1.00 0.00 H new ATOM 0 HA PHE A 82 6.478 -4.587 -8.134 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.069 -5.754 -5.796 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.686 -4.466 -6.813 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.530 -2.255 -6.893 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.283 -5.354 -4.194 1.00 0.00 H new ATOM 0 HE1 PHE A 82 6.240 -0.595 -5.584 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.997 -3.691 -2.880 1.00 0.00 H new ATOM 0 HZ PHE A 82 4.973 -1.311 -3.577 1.00 0.00 H new ATOM 1217 N GLU A 83 8.995 -6.530 -8.149 1.00 0.00 N ATOM 1218 CA GLU A 83 9.912 -7.320 -9.016 1.00 0.00 C ATOM 1219 C GLU A 83 11.127 -7.737 -8.186 1.00 0.00 C ATOM 1220 O GLU A 83 11.643 -8.831 -8.321 1.00 0.00 O ATOM 1221 CB GLU A 83 10.377 -6.454 -10.190 1.00 0.00 C ATOM 1222 CG GLU A 83 11.185 -7.305 -11.175 1.00 0.00 C ATOM 1223 CD GLU A 83 10.248 -8.281 -11.889 1.00 0.00 C ATOM 1224 OE1 GLU A 83 9.047 -8.155 -11.710 1.00 0.00 O ATOM 1225 OE2 GLU A 83 10.746 -9.138 -12.599 1.00 0.00 O ATOM 0 H GLU A 83 9.388 -6.250 -7.250 1.00 0.00 H new ATOM 0 HA GLU A 83 9.396 -8.201 -9.399 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.516 -6.017 -10.695 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.986 -5.627 -9.825 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.684 -6.664 -11.902 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.964 -7.853 -10.645 1.00 0.00 H new ATOM 1232 N VAL A 84 11.587 -6.865 -7.321 1.00 0.00 N ATOM 1233 CA VAL A 84 12.773 -7.190 -6.467 1.00 0.00 C ATOM 1234 C VAL A 84 12.487 -6.793 -5.018 1.00 0.00 C ATOM 1235 O VAL A 84 11.594 -6.019 -4.734 1.00 0.00 O ATOM 1236 CB VAL A 84 14.003 -6.424 -6.970 1.00 0.00 C ATOM 1237 CG1 VAL A 84 14.356 -6.897 -8.379 1.00 0.00 C ATOM 1238 CG2 VAL A 84 13.709 -4.924 -6.997 1.00 0.00 C ATOM 0 H VAL A 84 11.190 -5.938 -7.169 1.00 0.00 H new ATOM 0 HA VAL A 84 12.968 -8.261 -6.521 1.00 0.00 H new ATOM 0 HB VAL A 84 14.840 -6.613 -6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.230 -6.353 -8.737 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.576 -7.964 -8.360 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.515 -6.711 -9.047 1.00 0.00 H new ATOM 0 HG21 VAL A 84 14.588 -4.387 -7.355 1.00 0.00 H new ATOM 0 HG22 VAL A 84 12.868 -4.730 -7.663 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.461 -4.584 -5.992 1.00 0.00 H new ATOM 1248 N SER A 85 13.245 -7.325 -4.099 1.00 0.00 N ATOM 1249 CA SER A 85 13.038 -6.990 -2.661 1.00 0.00 C ATOM 1250 C SER A 85 13.531 -5.563 -2.398 1.00 0.00 C ATOM 1251 O SER A 85 13.165 -4.933 -1.423 1.00 0.00 O ATOM 1252 CB SER A 85 13.833 -7.976 -1.802 1.00 0.00 C ATOM 1253 OG SER A 85 13.145 -9.218 -1.750 1.00 0.00 O ATOM 0 H SER A 85 14.004 -7.981 -4.283 1.00 0.00 H new ATOM 0 HA SER A 85 11.979 -7.057 -2.411 1.00 0.00 H new ATOM 0 HB2 SER A 85 14.830 -8.117 -2.219 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.962 -7.577 -0.796 1.00 0.00 H new ATOM 0 HG SER A 85 13.654 -9.851 -1.202 1.00 0.00 H new ATOM 1259 N ALA A 86 14.361 -5.049 -3.262 1.00 0.00 N ATOM 1260 CA ALA A 86 14.884 -3.665 -3.072 1.00 0.00 C ATOM 1261 C ALA A 86 13.728 -2.662 -3.139 1.00 0.00 C ATOM 1262 O ALA A 86 13.674 -1.702 -2.394 1.00 0.00 O ATOM 1263 CB ALA A 86 15.885 -3.353 -4.188 1.00 0.00 C ATOM 0 H ALA A 86 14.702 -5.529 -4.095 1.00 0.00 H new ATOM 0 HA ALA A 86 15.372 -3.590 -2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 86 16.273 -2.343 -4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.709 -4.066 -4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.387 -3.428 -5.155 1.00 0.00 H new ATOM 1269 N GLU A 87 12.802 -2.882 -4.029 1.00 0.00 N ATOM 1270 CA GLU A 87 11.638 -1.956 -4.156 1.00 0.00 C ATOM 1271 C GLU A 87 10.722 -2.125 -2.946 1.00 0.00 C ATOM 1272 O GLU A 87 10.080 -1.195 -2.498 1.00 0.00 O ATOM 1273 CB GLU A 87 10.867 -2.282 -5.439 1.00 0.00 C ATOM 1274 CG GLU A 87 11.721 -1.904 -6.651 1.00 0.00 C ATOM 1275 CD GLU A 87 10.989 -2.268 -7.945 1.00 0.00 C ATOM 1276 OE1 GLU A 87 9.875 -2.754 -7.859 1.00 0.00 O ATOM 1277 OE2 GLU A 87 11.556 -2.050 -9.003 1.00 0.00 O ATOM 0 H GLU A 87 12.800 -3.668 -4.679 1.00 0.00 H new ATOM 0 HA GLU A 87 11.991 -0.926 -4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.621 -3.343 -5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.924 -1.736 -5.459 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.937 -0.836 -6.634 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.678 -2.423 -6.607 1.00 0.00 H new ATOM 1284 N LYS A 88 10.654 -3.312 -2.416 1.00 0.00 N ATOM 1285 CA LYS A 88 9.777 -3.548 -1.237 1.00 0.00 C ATOM 1286 C LYS A 88 10.246 -2.696 -0.057 1.00 0.00 C ATOM 1287 O LYS A 88 9.463 -2.036 0.597 1.00 0.00 O ATOM 1288 CB LYS A 88 9.854 -5.028 -0.844 1.00 0.00 C ATOM 1289 CG LYS A 88 8.947 -5.314 0.380 1.00 0.00 C ATOM 1290 CD LYS A 88 9.786 -5.393 1.665 1.00 0.00 C ATOM 1291 CE LYS A 88 8.869 -5.649 2.860 1.00 0.00 C ATOM 1292 NZ LYS A 88 9.692 -5.723 4.098 1.00 0.00 N ATOM 0 H LYS A 88 11.167 -4.129 -2.747 1.00 0.00 H new ATOM 0 HA LYS A 88 8.752 -3.278 -1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.547 -5.650 -1.685 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.885 -5.295 -0.610 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.197 -4.529 0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.410 -6.251 0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.523 -6.192 1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.337 -4.464 1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.131 -4.851 2.946 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.318 -6.579 2.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.074 -5.897 4.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.379 -6.499 4.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.199 -4.825 4.232 1.00 0.00 H new ATOM 1306 N LEU A 89 11.518 -2.714 0.225 1.00 0.00 N ATOM 1307 CA LEU A 89 12.039 -1.910 1.369 1.00 0.00 C ATOM 1308 C LEU A 89 11.843 -0.421 1.074 1.00 0.00 C ATOM 1309 O LEU A 89 11.442 0.347 1.927 1.00 0.00 O ATOM 1310 CB LEU A 89 13.534 -2.193 1.544 1.00 0.00 C ATOM 1311 CG LEU A 89 13.751 -3.642 2.011 1.00 0.00 C ATOM 1312 CD1 LEU A 89 15.247 -3.973 1.952 1.00 0.00 C ATOM 1313 CD2 LEU A 89 13.236 -3.829 3.452 1.00 0.00 C ATOM 0 H LEU A 89 12.220 -3.249 -0.285 1.00 0.00 H new ATOM 0 HA LEU A 89 11.502 -2.178 2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.056 -2.025 0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.959 -1.502 2.271 1.00 0.00 H new ATOM 0 HG LEU A 89 13.196 -4.312 1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 89 15.406 -5.000 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 89 15.604 -3.862 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 89 15.796 -3.293 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 89 13.398 -4.860 3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 89 13.775 -3.158 4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 89 12.171 -3.601 3.490 1.00 0.00 H new ATOM 1325 N ILE A 90 12.126 -0.013 -0.129 1.00 0.00 N ATOM 1326 CA ILE A 90 11.962 1.425 -0.491 1.00 0.00 C ATOM 1327 C ILE A 90 10.478 1.803 -0.427 1.00 0.00 C ATOM 1328 O ILE A 90 10.102 2.829 0.105 1.00 0.00 O ATOM 1329 CB ILE A 90 12.476 1.638 -1.919 1.00 0.00 C ATOM 1330 CG1 ILE A 90 13.995 1.440 -1.957 1.00 0.00 C ATOM 1331 CG2 ILE A 90 12.139 3.056 -2.384 1.00 0.00 C ATOM 1332 CD1 ILE A 90 14.474 1.392 -3.412 1.00 0.00 C ATOM 0 H ILE A 90 12.465 -0.613 -0.881 1.00 0.00 H new ATOM 0 HA ILE A 90 12.524 2.047 0.205 1.00 0.00 H new ATOM 0 HB ILE A 90 11.998 0.915 -2.581 1.00 0.00 H new ATOM 0 HG12 ILE A 90 14.491 2.254 -1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 90 14.264 0.516 -1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.506 3.203 -3.400 1.00 0.00 H new ATOM 0 HG22 ILE A 90 11.058 3.198 -2.365 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.612 3.779 -1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 90 15.555 1.251 -3.435 1.00 0.00 H new ATOM 0 HD12 ILE A 90 13.989 0.563 -3.928 1.00 0.00 H new ATOM 0 HD13 ILE A 90 14.220 2.328 -3.910 1.00 0.00 H new ATOM 1344 N PHE A 91 9.639 0.974 -0.977 1.00 0.00 N ATOM 1345 CA PHE A 91 8.175 1.253 -0.969 1.00 0.00 C ATOM 1346 C PHE A 91 7.646 1.209 0.465 1.00 0.00 C ATOM 1347 O PHE A 91 6.863 2.041 0.884 1.00 0.00 O ATOM 1348 CB PHE A 91 7.465 0.191 -1.809 1.00 0.00 C ATOM 1349 CG PHE A 91 5.984 0.490 -1.865 1.00 0.00 C ATOM 1350 CD1 PHE A 91 5.522 1.576 -2.616 1.00 0.00 C ATOM 1351 CD2 PHE A 91 5.075 -0.317 -1.168 1.00 0.00 C ATOM 1352 CE1 PHE A 91 4.152 1.856 -2.673 1.00 0.00 C ATOM 1353 CE2 PHE A 91 3.706 -0.036 -1.225 1.00 0.00 C ATOM 1354 CZ PHE A 91 3.245 1.050 -1.976 1.00 0.00 C ATOM 0 H PHE A 91 9.907 0.104 -1.438 1.00 0.00 H new ATOM 0 HA PHE A 91 7.988 2.243 -1.385 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.880 0.173 -2.817 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.630 -0.797 -1.379 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.223 2.199 -3.152 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.431 -1.155 -0.587 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.795 2.693 -3.254 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.005 -0.658 -0.689 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.188 1.267 -2.018 1.00 0.00 H new ATOM 1364 N GLU A 92 8.060 0.226 1.215 1.00 0.00 N ATOM 1365 CA GLU A 92 7.581 0.094 2.621 1.00 0.00 C ATOM 1366 C GLU A 92 7.971 1.344 3.412 1.00 0.00 C ATOM 1367 O GLU A 92 7.225 1.830 4.241 1.00 0.00 O ATOM 1368 CB GLU A 92 8.240 -1.132 3.259 1.00 0.00 C ATOM 1369 CG GLU A 92 7.620 -1.403 4.632 1.00 0.00 C ATOM 1370 CD GLU A 92 6.179 -1.888 4.459 1.00 0.00 C ATOM 1371 OE1 GLU A 92 5.792 -2.144 3.330 1.00 0.00 O ATOM 1372 OE2 GLU A 92 5.486 -1.993 5.457 1.00 0.00 O ATOM 0 H GLU A 92 8.714 -0.496 0.913 1.00 0.00 H new ATOM 0 HA GLU A 92 6.497 -0.019 2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.111 -2.001 2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.313 -0.967 3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.205 -2.153 5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.639 -0.496 5.236 1.00 0.00 H new ATOM 1379 N LEU A 93 9.135 1.861 3.165 1.00 0.00 N ATOM 1380 CA LEU A 93 9.583 3.079 3.896 1.00 0.00 C ATOM 1381 C LEU A 93 8.663 4.254 3.561 1.00 0.00 C ATOM 1382 O LEU A 93 8.254 5.009 4.422 1.00 0.00 O ATOM 1383 CB LEU A 93 11.013 3.413 3.462 1.00 0.00 C ATOM 1384 CG LEU A 93 11.493 4.727 4.144 1.00 0.00 C ATOM 1385 CD1 LEU A 93 12.948 4.583 4.604 1.00 0.00 C ATOM 1386 CD2 LEU A 93 11.399 5.905 3.155 1.00 0.00 C ATOM 0 H LEU A 93 9.802 1.494 2.486 1.00 0.00 H new ATOM 0 HA LEU A 93 9.549 2.897 4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.681 2.593 3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.055 3.522 2.378 1.00 0.00 H new ATOM 0 HG LEU A 93 10.853 4.919 5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.273 5.509 5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.025 3.762 5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.583 4.376 3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.738 6.818 3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.028 5.703 2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.365 6.028 2.833 1.00 0.00 H new ATOM 1398 N LYS A 94 8.342 4.414 2.309 1.00 0.00 N ATOM 1399 CA LYS A 94 7.451 5.536 1.891 1.00 0.00 C ATOM 1400 C LYS A 94 6.052 5.334 2.481 1.00 0.00 C ATOM 1401 O LYS A 94 5.416 6.264 2.940 1.00 0.00 O ATOM 1402 CB LYS A 94 7.359 5.561 0.364 1.00 0.00 C ATOM 1403 CG LYS A 94 8.704 5.995 -0.228 1.00 0.00 C ATOM 1404 CD LYS A 94 8.609 6.013 -1.755 1.00 0.00 C ATOM 1405 CE LYS A 94 9.908 6.570 -2.344 1.00 0.00 C ATOM 1406 NZ LYS A 94 11.049 5.705 -1.939 1.00 0.00 N ATOM 0 H LYS A 94 8.660 3.812 1.550 1.00 0.00 H new ATOM 0 HA LYS A 94 7.860 6.479 2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.088 4.574 -0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.573 6.248 0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.974 6.984 0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.491 5.311 0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.430 5.005 -2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.764 6.625 -2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.838 6.612 -3.431 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.070 7.590 -1.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.629 6.203 -1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.686 4.822 -1.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.631 5.485 -2.772 1.00 0.00 H new ATOM 1420 N THR A 95 5.566 4.125 2.462 1.00 0.00 N ATOM 1421 CA THR A 95 4.206 3.857 3.016 1.00 0.00 C ATOM 1422 C THR A 95 4.212 4.087 4.528 1.00 0.00 C ATOM 1423 O THR A 95 3.271 4.607 5.096 1.00 0.00 O ATOM 1424 CB THR A 95 3.822 2.403 2.729 1.00 0.00 C ATOM 1425 OG1 THR A 95 4.884 1.553 3.132 1.00 0.00 O ATOM 1426 CG2 THR A 95 3.553 2.220 1.232 1.00 0.00 C ATOM 0 H THR A 95 6.050 3.309 2.087 1.00 0.00 H new ATOM 0 HA THR A 95 3.486 4.529 2.550 1.00 0.00 H new ATOM 0 HB THR A 95 2.919 2.150 3.284 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.599 2.090 3.533 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.280 1.183 1.035 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.736 2.874 0.926 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.451 2.472 0.668 1.00 0.00 H new ATOM 1434 N ARG A 96 5.269 3.706 5.184 1.00 0.00 N ATOM 1435 CA ARG A 96 5.352 3.902 6.661 1.00 0.00 C ATOM 1436 C ARG A 96 5.370 5.393 6.988 1.00 0.00 C ATOM 1437 O ARG A 96 4.751 5.844 7.932 1.00 0.00 O ATOM 1438 CB ARG A 96 6.645 3.258 7.174 1.00 0.00 C ATOM 1439 CG ARG A 96 6.538 1.727 7.135 1.00 0.00 C ATOM 1440 CD ARG A 96 5.811 1.219 8.388 1.00 0.00 C ATOM 1441 NE ARG A 96 5.818 -0.272 8.400 1.00 0.00 N ATOM 1442 CZ ARG A 96 4.867 -0.930 9.006 1.00 0.00 C ATOM 1443 NH1 ARG A 96 3.897 -0.290 9.607 1.00 0.00 N ATOM 1444 NH2 ARG A 96 4.887 -2.231 9.015 1.00 0.00 N ATOM 0 H ARG A 96 6.085 3.264 4.761 1.00 0.00 H new ATOM 0 HA ARG A 96 4.487 3.442 7.138 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.487 3.585 6.564 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.843 3.588 8.194 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.999 1.415 6.240 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.533 1.286 7.078 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.299 1.602 9.284 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.785 1.588 8.401 1.00 0.00 H new ATOM 0 HE ARG A 96 6.569 -0.780 7.933 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.880 0.730 9.604 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.157 -0.811 10.078 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.644 -2.733 8.550 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.146 -2.749 9.487 1.00 0.00 H new ATOM 1458 N ALA A 97 6.086 6.160 6.221 1.00 0.00 N ATOM 1459 CA ALA A 97 6.157 7.623 6.483 1.00 0.00 C ATOM 1460 C ALA A 97 4.769 8.249 6.316 1.00 0.00 C ATOM 1461 O ALA A 97 4.306 9.001 7.152 1.00 0.00 O ATOM 1462 CB ALA A 97 7.119 8.259 5.479 1.00 0.00 C ATOM 0 H ALA A 97 6.628 5.837 5.420 1.00 0.00 H new ATOM 0 HA ALA A 97 6.508 7.794 7.501 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.179 9.332 5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.108 7.816 5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.756 8.083 4.466 1.00 0.00 H new