USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 559 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 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 66 LYS NZ :NH3+ 175:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= -0.0175 (180deg=-0.193) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -157:sc= 0.00964 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0196 K(o=-0.02,f=-0.72) USER MOD Single : A 49 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.055) USER MOD Single : A 50 MET CE :methyl 140:sc= -2.29 (180deg=-5.38!) USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0152) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 85:sc= 0.988 USER MOD Single : A 74 LYS NZ :NH3+ -149:sc= 0.483 (180deg=0.108) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.223 K(o=-0.22,f=-0.81) USER MOD Single : A 89 SER OG : rot 87:sc= 0.0185 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -76:sc= 0.865 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 358 N VAL A 25 -5.058 -0.427 5.024 1.00 0.00 N ATOM 359 CA VAL A 25 -3.606 -0.344 5.145 1.00 0.00 C ATOM 360 C VAL A 25 -3.182 -0.515 6.601 1.00 0.00 C ATOM 361 O VAL A 25 -3.797 0.049 7.506 1.00 0.00 O ATOM 362 CB VAL A 25 -3.066 0.996 4.604 1.00 0.00 C ATOM 363 CG1 VAL A 25 -1.553 1.064 4.754 1.00 0.00 C ATOM 364 CG2 VAL A 25 -3.472 1.188 3.150 1.00 0.00 C ATOM 0 HA VAL A 25 -3.183 -1.150 4.545 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.503 1.804 5.190 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.191 2.017 4.367 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.288 0.976 5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.095 0.248 4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.082 2.139 2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.066 0.375 2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.559 1.188 3.073 1.00 0.00 H new ATOM 374 N THR A 26 -2.138 -1.307 6.821 1.00 0.00 N ATOM 375 CA THR A 26 -1.657 -1.576 8.170 1.00 0.00 C ATOM 376 C THR A 26 -0.449 -0.713 8.515 1.00 0.00 C ATOM 377 O THR A 26 -0.428 -0.050 9.553 1.00 0.00 O ATOM 378 CB THR A 26 -1.296 -3.056 8.316 1.00 0.00 C ATOM 379 OG1 THR A 26 -1.893 -3.823 7.285 1.00 0.00 O ATOM 380 CG2 THR A 26 -1.722 -3.650 9.641 1.00 0.00 C ATOM 0 H THR A 26 -1.610 -1.773 6.083 1.00 0.00 H new ATOM 0 HA THR A 26 -2.460 -1.327 8.864 1.00 0.00 H new ATOM 0 HB THR A 26 -0.208 -3.095 8.255 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.649 -4.766 7.395 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.435 -4.701 9.678 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.234 -3.112 10.454 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.804 -3.565 9.747 1.00 0.00 H new ATOM 388 N LYS A 27 0.563 -0.735 7.653 1.00 0.00 N ATOM 389 CA LYS A 27 1.779 0.035 7.894 1.00 0.00 C ATOM 390 C LYS A 27 2.041 1.031 6.769 1.00 0.00 C ATOM 391 O LYS A 27 1.683 0.791 5.616 1.00 0.00 O ATOM 392 CB LYS A 27 2.978 -0.904 8.046 1.00 0.00 C ATOM 393 CG LYS A 27 3.639 -0.830 9.414 1.00 0.00 C ATOM 394 CD LYS A 27 5.141 -0.626 9.297 1.00 0.00 C ATOM 395 CE LYS A 27 5.876 -1.193 10.500 1.00 0.00 C ATOM 396 NZ LYS A 27 5.875 -2.682 10.500 1.00 0.00 N ATOM 0 H LYS A 27 0.566 -1.274 6.787 1.00 0.00 H new ATOM 0 HA LYS A 27 1.639 0.596 8.818 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.652 -1.928 7.864 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.717 -0.664 7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.203 -0.011 9.986 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.437 -1.748 9.967 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.505 -1.106 8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.359 0.438 9.205 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.904 -0.831 10.501 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.409 -0.830 11.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.631 -3.030 11.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.956 -3.029 10.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.038 -3.029 9.533 1.00 0.00 H new ATOM 410 N THR A 28 2.677 2.146 7.117 1.00 0.00 N ATOM 411 CA THR A 28 3.010 3.180 6.145 1.00 0.00 C ATOM 412 C THR A 28 4.482 3.559 6.245 1.00 0.00 C ATOM 413 O THR A 28 4.957 3.970 7.304 1.00 0.00 O ATOM 414 CB THR A 28 2.142 4.421 6.367 1.00 0.00 C ATOM 415 OG1 THR A 28 0.773 4.118 6.169 1.00 0.00 O ATOM 416 CG2 THR A 28 2.499 5.567 5.445 1.00 0.00 C ATOM 0 H THR A 28 2.973 2.356 8.070 1.00 0.00 H new ATOM 0 HA THR A 28 2.816 2.782 5.149 1.00 0.00 H new ATOM 0 HB THR A 28 2.330 4.729 7.395 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.235 4.924 6.317 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.848 6.417 5.652 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.537 5.856 5.609 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.369 5.254 4.409 1.00 0.00 H new ATOM 424 N LEU A 29 5.201 3.424 5.136 1.00 0.00 N ATOM 425 CA LEU A 29 6.618 3.753 5.104 1.00 0.00 C ATOM 426 C LEU A 29 6.869 5.018 4.291 1.00 0.00 C ATOM 427 O LEU A 29 6.473 5.110 3.129 1.00 0.00 O ATOM 428 CB LEU A 29 7.420 2.593 4.520 1.00 0.00 C ATOM 429 CG LEU A 29 8.933 2.705 4.703 1.00 0.00 C ATOM 430 CD1 LEU A 29 9.511 1.387 5.194 1.00 0.00 C ATOM 431 CD2 LEU A 29 9.594 3.132 3.405 1.00 0.00 C ATOM 0 H LEU A 29 4.825 3.089 4.249 1.00 0.00 H new ATOM 0 HA LEU A 29 6.943 3.932 6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.080 1.666 4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.201 2.518 3.455 1.00 0.00 H new ATOM 0 HG LEU A 29 9.135 3.466 5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.589 1.486 5.318 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.058 1.125 6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.300 0.604 4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.671 3.207 3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.384 2.395 2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.201 4.102 3.099 1.00 0.00 H new ATOM 443 N ASP A 30 7.535 5.986 4.909 1.00 0.00 N ATOM 444 CA ASP A 30 7.849 7.246 4.246 1.00 0.00 C ATOM 445 C ASP A 30 9.324 7.596 4.422 1.00 0.00 C ATOM 446 O ASP A 30 9.821 7.679 5.546 1.00 0.00 O ATOM 447 CB ASP A 30 6.974 8.370 4.805 1.00 0.00 C ATOM 448 CG ASP A 30 6.402 8.036 6.169 1.00 0.00 C ATOM 449 OD1 ASP A 30 7.136 8.175 7.170 1.00 0.00 O ATOM 450 OD2 ASP A 30 5.222 7.632 6.236 1.00 0.00 O ATOM 0 H ASP A 30 7.869 5.922 5.871 1.00 0.00 H new ATOM 0 HA ASP A 30 7.645 7.133 3.181 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.563 9.284 4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.158 8.570 4.111 1.00 0.00 H new ATOM 455 N VAL A 31 10.021 7.786 3.305 1.00 0.00 N ATOM 456 CA VAL A 31 11.444 8.121 3.337 1.00 0.00 C ATOM 457 C VAL A 31 11.703 9.483 2.699 1.00 0.00 C ATOM 458 O VAL A 31 12.383 9.585 1.677 1.00 0.00 O ATOM 459 CB VAL A 31 12.296 7.054 2.618 1.00 0.00 C ATOM 460 CG1 VAL A 31 13.772 7.243 2.933 1.00 0.00 C ATOM 461 CG2 VAL A 31 11.839 5.656 2.999 1.00 0.00 C ATOM 0 H VAL A 31 9.626 7.714 2.367 1.00 0.00 H new ATOM 0 HA VAL A 31 11.735 8.154 4.387 1.00 0.00 H new ATOM 0 HB VAL A 31 12.159 7.175 1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 31 14.355 6.481 2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 31 14.091 8.231 2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.929 7.153 4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 31 12.453 4.919 2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 31 11.941 5.521 4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.795 5.524 2.714 1.00 0.00 H new ATOM 471 N ARG A 32 11.163 10.528 3.316 1.00 0.00 N ATOM 472 CA ARG A 32 11.335 11.888 2.814 1.00 0.00 C ATOM 473 C ARG A 32 12.803 12.303 2.844 1.00 0.00 C ATOM 474 O ARG A 32 13.676 11.509 3.193 1.00 0.00 O ATOM 475 CB ARG A 32 10.502 12.867 3.644 1.00 0.00 C ATOM 476 CG ARG A 32 9.437 13.594 2.841 1.00 0.00 C ATOM 477 CD ARG A 32 9.050 14.911 3.492 1.00 0.00 C ATOM 478 NE ARG A 32 10.184 15.827 3.590 1.00 0.00 N ATOM 479 CZ ARG A 32 10.213 17.031 3.026 1.00 0.00 C ATOM 480 NH1 ARG A 32 9.171 17.465 2.327 1.00 0.00 N ATOM 481 NH2 ARG A 32 11.282 17.802 3.161 1.00 0.00 N ATOM 0 H ARG A 32 10.602 10.460 4.165 1.00 0.00 H new ATOM 0 HA ARG A 32 10.993 11.911 1.779 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.023 12.323 4.458 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.167 13.602 4.099 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.805 13.780 1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.555 12.960 2.747 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.254 15.381 2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.651 14.720 4.488 1.00 0.00 H new ATOM 0 HE ARG A 32 11.001 15.526 4.122 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.346 16.875 2.222 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.196 18.389 1.895 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.084 17.472 3.698 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.303 18.725 2.728 1.00 0.00 H new ATOM 631 N THR A 43 12.679 -0.435 5.364 1.00 0.00 N ATOM 632 CA THR A 43 11.926 -1.073 4.290 1.00 0.00 C ATOM 633 C THR A 43 12.576 -2.389 3.880 1.00 0.00 C ATOM 634 O THR A 43 11.892 -3.332 3.482 1.00 0.00 O ATOM 635 CB THR A 43 11.819 -0.141 3.080 1.00 0.00 C ATOM 636 OG1 THR A 43 10.916 -0.665 2.123 1.00 0.00 O ATOM 637 CG2 THR A 43 13.138 0.102 2.381 1.00 0.00 C ATOM 0 HA THR A 43 10.923 -1.283 4.661 1.00 0.00 H new ATOM 0 HB THR A 43 11.466 0.808 3.483 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.860 -0.055 1.358 1.00 0.00 H new ATOM 0 HG21 THR A 43 12.983 0.771 1.535 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.841 0.556 3.079 1.00 0.00 H new ATOM 0 HG23 THR A 43 13.541 -0.846 2.025 1.00 0.00 H new ATOM 645 N LYS A 44 13.900 -2.451 3.984 1.00 0.00 N ATOM 646 CA LYS A 44 14.637 -3.660 3.638 1.00 0.00 C ATOM 647 C LYS A 44 14.183 -4.827 4.506 1.00 0.00 C ATOM 648 O LYS A 44 13.907 -5.920 4.006 1.00 0.00 O ATOM 649 CB LYS A 44 16.141 -3.433 3.810 1.00 0.00 C ATOM 650 CG LYS A 44 16.964 -3.842 2.598 1.00 0.00 C ATOM 651 CD LYS A 44 16.726 -2.909 1.421 1.00 0.00 C ATOM 652 CE LYS A 44 17.944 -2.046 1.136 1.00 0.00 C ATOM 653 NZ LYS A 44 18.114 -1.792 -0.322 1.00 0.00 N ATOM 0 H LYS A 44 14.483 -1.678 4.305 1.00 0.00 H new ATOM 0 HA LYS A 44 14.434 -3.900 2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.319 -2.378 4.019 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.487 -3.993 4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 44 18.023 -3.838 2.858 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.709 -4.862 2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.479 -3.495 0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.868 -2.270 1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.847 -1.096 1.661 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.836 -2.536 1.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.108 -1.557 -0.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.846 -2.643 -0.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.507 -0.998 -0.609 1.00 0.00 H new ATOM 667 N ARG A 45 14.089 -4.580 5.808 1.00 0.00 N ATOM 668 CA ARG A 45 13.655 -5.600 6.753 1.00 0.00 C ATOM 669 C ARG A 45 12.190 -5.957 6.532 1.00 0.00 C ATOM 670 O ARG A 45 11.778 -7.095 6.760 1.00 0.00 O ATOM 671 CB ARG A 45 13.861 -5.108 8.183 1.00 0.00 C ATOM 672 CG ARG A 45 13.687 -6.194 9.233 1.00 0.00 C ATOM 673 CD ARG A 45 12.381 -6.027 9.994 1.00 0.00 C ATOM 674 NE ARG A 45 12.538 -6.304 11.419 1.00 0.00 N ATOM 675 CZ ARG A 45 11.703 -5.862 12.353 1.00 0.00 C ATOM 676 NH1 ARG A 45 10.653 -5.124 12.013 1.00 0.00 N ATOM 677 NH2 ARG A 45 11.915 -6.155 13.628 1.00 0.00 N ATOM 0 H ARG A 45 14.308 -3.679 6.233 1.00 0.00 H new ATOM 0 HA ARG A 45 14.255 -6.495 6.590 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.862 -4.686 8.272 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.156 -4.302 8.386 1.00 0.00 H new ATOM 0 HG2 ARG A 45 13.708 -7.173 8.753 1.00 0.00 H new ATOM 0 HG3 ARG A 45 14.523 -6.164 9.932 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.012 -5.010 9.861 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.630 -6.696 9.575 1.00 0.00 H new ATOM 0 HE ARG A 45 13.334 -6.869 11.714 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.486 -4.895 11.033 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.013 -4.786 12.732 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.721 -6.721 13.894 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.272 -5.814 14.343 1.00 0.00 H new ATOM 691 N ALA A 46 11.409 -4.977 6.090 1.00 0.00 N ATOM 692 CA ALA A 46 9.987 -5.185 5.838 1.00 0.00 C ATOM 693 C ALA A 46 9.772 -6.151 4.678 1.00 0.00 C ATOM 694 O ALA A 46 8.918 -7.036 4.744 1.00 0.00 O ATOM 695 CB ALA A 46 9.299 -3.858 5.558 1.00 0.00 C ATOM 0 H ALA A 46 11.737 -4.030 5.899 1.00 0.00 H new ATOM 0 HA ALA A 46 9.546 -5.627 6.732 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.239 -4.030 5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.414 -3.200 6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.750 -3.392 4.682 1.00 0.00 H new ATOM 701 N LEU A 47 10.548 -5.971 3.613 1.00 0.00 N ATOM 702 CA LEU A 47 10.448 -6.828 2.438 1.00 0.00 C ATOM 703 C LEU A 47 10.704 -8.286 2.809 1.00 0.00 C ATOM 704 O LEU A 47 10.046 -9.193 2.298 1.00 0.00 O ATOM 705 CB LEU A 47 11.444 -6.383 1.365 1.00 0.00 C ATOM 706 CG LEU A 47 10.985 -5.234 0.457 1.00 0.00 C ATOM 707 CD1 LEU A 47 10.095 -4.252 1.206 1.00 0.00 C ATOM 708 CD2 LEU A 47 12.189 -4.515 -0.132 1.00 0.00 C ATOM 0 H LEU A 47 11.254 -5.238 3.541 1.00 0.00 H new ATOM 0 HA LEU A 47 9.436 -6.741 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.369 -6.083 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.681 -7.243 0.738 1.00 0.00 H new ATOM 0 HG LEU A 47 10.396 -5.664 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.789 -3.452 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.212 -4.772 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.646 -3.829 2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 47 11.849 -3.702 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.801 -4.109 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.781 -5.217 -0.719 1.00 0.00 H new ATOM 720 N GLN A 48 11.666 -8.500 3.700 1.00 0.00 N ATOM 721 CA GLN A 48 12.017 -9.843 4.143 1.00 0.00 C ATOM 722 C GLN A 48 11.050 -10.333 5.222 1.00 0.00 C ATOM 723 O GLN A 48 10.886 -11.537 5.421 1.00 0.00 O ATOM 724 CB GLN A 48 13.463 -9.856 4.661 1.00 0.00 C ATOM 725 CG GLN A 48 13.693 -10.768 5.858 1.00 0.00 C ATOM 726 CD GLN A 48 15.104 -11.322 5.911 1.00 0.00 C ATOM 727 OE1 GLN A 48 16.023 -10.773 5.303 1.00 0.00 O ATOM 728 NE2 GLN A 48 15.281 -12.418 6.640 1.00 0.00 N ATOM 0 H GLN A 48 12.218 -7.758 4.130 1.00 0.00 H new ATOM 0 HA GLN A 48 11.939 -10.524 3.295 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.124 -10.166 3.851 1.00 0.00 H new ATOM 0 HB3 GLN A 48 13.748 -8.840 4.934 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.490 -10.215 6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.984 -11.595 5.821 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.490 -12.840 7.127 1.00 0.00 H new ATOM 0 HE22 GLN A 48 16.208 -12.838 6.713 1.00 0.00 H new ATOM 737 N ASN A 49 10.408 -9.393 5.911 1.00 0.00 N ATOM 738 CA ASN A 49 9.476 -9.733 6.981 1.00 0.00 C ATOM 739 C ASN A 49 8.066 -9.226 6.682 1.00 0.00 C ATOM 740 O ASN A 49 7.517 -8.414 7.427 1.00 0.00 O ATOM 741 CB ASN A 49 9.967 -9.156 8.311 1.00 0.00 C ATOM 742 CG ASN A 49 10.249 -10.231 9.342 1.00 0.00 C ATOM 743 OD1 ASN A 49 11.265 -10.190 10.035 1.00 0.00 O ATOM 744 ND2 ASN A 49 9.346 -11.199 9.450 1.00 0.00 N ATOM 0 H ASN A 49 10.516 -8.392 5.747 1.00 0.00 H new ATOM 0 HA ASN A 49 9.434 -10.820 7.050 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.873 -8.576 8.139 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.218 -8.468 8.704 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.481 -11.949 10.129 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.518 -11.193 8.854 1.00 0.00 H new ATOM 751 N MET A 50 7.478 -9.728 5.600 1.00 0.00 N ATOM 752 CA MET A 50 6.119 -9.350 5.224 1.00 0.00 C ATOM 753 C MET A 50 5.136 -10.462 5.576 1.00 0.00 C ATOM 754 O MET A 50 5.471 -11.644 5.496 1.00 0.00 O ATOM 755 CB MET A 50 6.039 -9.041 3.729 1.00 0.00 C ATOM 756 CG MET A 50 6.621 -10.129 2.849 1.00 0.00 C ATOM 757 SD MET A 50 6.592 -9.700 1.096 1.00 0.00 S ATOM 758 CE MET A 50 7.380 -8.093 1.126 1.00 0.00 C ATOM 0 H MET A 50 7.920 -10.396 4.969 1.00 0.00 H new ATOM 0 HA MET A 50 5.852 -8.453 5.783 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.996 -8.884 3.455 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.565 -8.107 3.532 1.00 0.00 H new ATOM 0 HG2 MET A 50 7.649 -10.325 3.153 1.00 0.00 H new ATOM 0 HG3 MET A 50 6.062 -11.052 3.002 1.00 0.00 H new ATOM 0 HE1 MET A 50 8.049 -8.000 0.271 1.00 0.00 H new ATOM 0 HE2 MET A 50 6.619 -7.314 1.078 1.00 0.00 H new ATOM 0 HE3 MET A 50 7.952 -7.985 2.048 1.00 0.00 H new ATOM 768 N LYS A 51 3.926 -10.079 5.970 1.00 0.00 N ATOM 769 CA LYS A 51 2.904 -11.049 6.343 1.00 0.00 C ATOM 770 C LYS A 51 2.052 -11.445 5.137 1.00 0.00 C ATOM 771 O LYS A 51 2.020 -10.733 4.134 1.00 0.00 O ATOM 772 CB LYS A 51 2.018 -10.487 7.460 1.00 0.00 C ATOM 773 CG LYS A 51 2.793 -9.736 8.531 1.00 0.00 C ATOM 774 CD LYS A 51 2.276 -10.058 9.923 1.00 0.00 C ATOM 775 CE LYS A 51 3.142 -9.425 11.000 1.00 0.00 C ATOM 776 NZ LYS A 51 4.439 -10.140 11.162 1.00 0.00 N ATOM 0 H LYS A 51 3.630 -9.105 6.039 1.00 0.00 H new ATOM 0 HA LYS A 51 3.407 -11.944 6.709 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.277 -9.818 7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.471 -11.307 7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.850 -9.995 8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.716 -8.663 8.352 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.251 -9.701 10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.252 -11.139 10.062 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.332 -8.382 10.747 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.604 -9.430 11.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.956 -9.742 11.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.260 -11.151 11.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.008 -10.027 10.299 1.00 0.00 H new ATOM 790 N PRO A 52 1.361 -12.601 5.218 1.00 0.00 N ATOM 791 CA PRO A 52 0.536 -13.120 4.121 1.00 0.00 C ATOM 792 C PRO A 52 -0.327 -12.059 3.440 1.00 0.00 C ATOM 793 O PRO A 52 -0.109 -11.738 2.273 1.00 0.00 O ATOM 794 CB PRO A 52 -0.345 -14.152 4.819 1.00 0.00 C ATOM 795 CG PRO A 52 0.501 -14.672 5.928 1.00 0.00 C ATOM 796 CD PRO A 52 1.365 -13.521 6.376 1.00 0.00 C ATOM 0 HA PRO A 52 1.153 -13.515 3.314 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.262 -13.701 5.197 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.640 -14.949 4.137 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.116 -15.038 6.749 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.112 -15.509 5.591 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.961 -13.042 7.268 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.375 -13.851 6.621 1.00 0.00 H new ATOM 804 N GLY A 53 -1.354 -11.582 4.141 1.00 0.00 N ATOM 805 CA GLY A 53 -2.260 -10.601 3.565 1.00 0.00 C ATOM 806 C GLY A 53 -2.035 -9.198 4.090 1.00 0.00 C ATOM 807 O GLY A 53 -2.940 -8.593 4.666 1.00 0.00 O ATOM 0 H GLY A 53 -1.575 -11.858 5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.142 -10.599 2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.288 -10.899 3.773 1.00 0.00 H new ATOM 811 N GLU A 54 -0.833 -8.676 3.885 1.00 0.00 N ATOM 812 CA GLU A 54 -0.503 -7.326 4.343 1.00 0.00 C ATOM 813 C GLU A 54 -0.797 -6.283 3.271 1.00 0.00 C ATOM 814 O GLU A 54 -0.738 -6.568 2.077 1.00 0.00 O ATOM 815 CB GLU A 54 0.967 -7.235 4.750 1.00 0.00 C ATOM 816 CG GLU A 54 1.196 -7.468 6.231 1.00 0.00 C ATOM 817 CD GLU A 54 2.520 -6.908 6.713 1.00 0.00 C ATOM 818 OE1 GLU A 54 3.519 -7.025 5.971 1.00 0.00 O ATOM 819 OE2 GLU A 54 2.558 -6.349 7.829 1.00 0.00 O ATOM 0 H GLU A 54 -0.072 -9.160 3.408 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.131 -7.119 5.210 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.540 -7.967 4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.351 -6.251 4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.385 -7.010 6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.162 -8.538 6.436 1.00 0.00 H new ATOM 826 N ILE A 55 -1.105 -5.069 3.716 1.00 0.00 N ATOM 827 CA ILE A 55 -1.373 -3.954 2.815 1.00 0.00 C ATOM 828 C ILE A 55 -0.659 -2.697 3.308 1.00 0.00 C ATOM 829 O ILE A 55 -1.102 -2.058 4.260 1.00 0.00 O ATOM 830 CB ILE A 55 -2.883 -3.663 2.696 1.00 0.00 C ATOM 831 CG1 ILE A 55 -3.672 -4.971 2.592 1.00 0.00 C ATOM 832 CG2 ILE A 55 -3.160 -2.773 1.494 1.00 0.00 C ATOM 833 CD1 ILE A 55 -5.149 -4.815 2.883 1.00 0.00 C ATOM 0 H ILE A 55 -1.176 -4.831 4.705 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.999 -4.236 1.831 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.207 -3.137 3.594 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.549 -5.380 1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.249 -5.697 3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.230 -2.578 1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.626 -1.830 1.609 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.823 -3.273 0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.642 -5.783 2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.282 -4.436 3.896 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.588 -4.114 2.173 1.00 0.00 H new ATOM 845 N LEU A 56 0.445 -2.346 2.655 1.00 0.00 N ATOM 846 CA LEU A 56 1.239 -1.196 3.067 1.00 0.00 C ATOM 847 C LEU A 56 1.308 -0.140 1.973 1.00 0.00 C ATOM 848 O LEU A 56 1.073 -0.425 0.800 1.00 0.00 O ATOM 849 CB LEU A 56 2.658 -1.642 3.427 1.00 0.00 C ATOM 850 CG LEU A 56 2.750 -2.974 4.170 1.00 0.00 C ATOM 851 CD1 LEU A 56 4.197 -3.300 4.508 1.00 0.00 C ATOM 852 CD2 LEU A 56 1.902 -2.933 5.427 1.00 0.00 C ATOM 0 H LEU A 56 0.808 -2.841 1.840 1.00 0.00 H new ATOM 0 HA LEU A 56 0.753 -0.756 3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.243 -1.714 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.121 -0.869 4.040 1.00 0.00 H new ATOM 0 HG LEU A 56 2.368 -3.762 3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.242 -4.252 5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.779 -3.368 3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.609 -2.514 5.141 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.976 -3.888 5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.257 -2.136 6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.862 -2.746 5.159 1.00 0.00 H new ATOM 864 N GLU A 57 1.647 1.080 2.371 1.00 0.00 N ATOM 865 CA GLU A 57 1.779 2.186 1.430 1.00 0.00 C ATOM 866 C GLU A 57 3.104 2.913 1.647 1.00 0.00 C ATOM 867 O GLU A 57 3.539 3.104 2.782 1.00 0.00 O ATOM 868 CB GLU A 57 0.602 3.158 1.575 1.00 0.00 C ATOM 869 CG GLU A 57 0.836 4.274 2.583 1.00 0.00 C ATOM 870 CD GLU A 57 -0.431 5.038 2.914 1.00 0.00 C ATOM 871 OE1 GLU A 57 -1.256 4.512 3.690 1.00 0.00 O ATOM 872 OE2 GLU A 57 -0.597 6.163 2.397 1.00 0.00 O ATOM 0 H GLU A 57 1.836 1.329 3.342 1.00 0.00 H new ATOM 0 HA GLU A 57 1.768 1.782 0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.389 3.601 0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.284 2.596 1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.250 3.851 3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.580 4.966 2.187 1.00 0.00 H new ATOM 879 N VAL A 58 3.752 3.296 0.553 1.00 0.00 N ATOM 880 CA VAL A 58 5.031 3.991 0.629 1.00 0.00 C ATOM 881 C VAL A 58 4.949 5.365 -0.023 1.00 0.00 C ATOM 882 O VAL A 58 4.380 5.518 -1.105 1.00 0.00 O ATOM 883 CB VAL A 58 6.155 3.178 -0.043 1.00 0.00 C ATOM 884 CG1 VAL A 58 7.516 3.768 0.295 1.00 0.00 C ATOM 885 CG2 VAL A 58 6.081 1.716 0.372 1.00 0.00 C ATOM 0 H VAL A 58 3.413 3.137 -0.396 1.00 0.00 H new ATOM 0 HA VAL A 58 5.264 4.109 1.687 1.00 0.00 H new ATOM 0 HB VAL A 58 6.020 3.231 -1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.297 3.181 -0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.564 4.798 -0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.663 3.749 1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.883 1.159 -0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.189 1.639 1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.119 1.301 0.073 1.00 0.00 H new ATOM 895 N TRP A 59 5.528 6.362 0.639 1.00 0.00 N ATOM 896 CA TRP A 59 5.528 7.727 0.120 1.00 0.00 C ATOM 897 C TRP A 59 6.953 8.246 -0.029 1.00 0.00 C ATOM 898 O TRP A 59 7.655 8.453 0.963 1.00 0.00 O ATOM 899 CB TRP A 59 4.728 8.651 1.044 1.00 0.00 C ATOM 900 CG TRP A 59 4.178 9.867 0.355 1.00 0.00 C ATOM 901 CD1 TRP A 59 4.504 10.327 -0.891 1.00 0.00 C ATOM 902 CD2 TRP A 59 3.207 10.781 0.876 1.00 0.00 C ATOM 903 NE1 TRP A 59 3.793 11.468 -1.174 1.00 0.00 N ATOM 904 CE2 TRP A 59 2.990 11.768 -0.105 1.00 0.00 C ATOM 905 CE3 TRP A 59 2.498 10.862 2.079 1.00 0.00 C ATOM 906 CZ2 TRP A 59 2.095 12.819 0.080 1.00 0.00 C ATOM 907 CZ3 TRP A 59 1.611 11.905 2.261 1.00 0.00 C ATOM 908 CH2 TRP A 59 1.416 12.872 1.266 1.00 0.00 C ATOM 0 H TRP A 59 6.003 6.251 1.535 1.00 0.00 H new ATOM 0 HA TRP A 59 5.056 7.717 -0.863 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.903 8.088 1.481 1.00 0.00 H new ATOM 0 HB3 TRP A 59 5.368 8.969 1.867 1.00 0.00 H new ATOM 0 HD1 TRP A 59 5.217 9.861 -1.556 1.00 0.00 H new ATOM 0 HE1 TRP A 59 3.853 12.005 -2.039 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.642 10.122 2.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 1.943 13.565 -0.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.058 11.976 3.186 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.715 13.675 1.439 1.00 0.00 H new ATOM 919 N ILE A 60 7.389 8.419 -1.275 1.00 0.00 N ATOM 920 CA ILE A 60 8.739 8.899 -1.547 1.00 0.00 C ATOM 921 C ILE A 60 8.848 9.506 -2.941 1.00 0.00 C ATOM 922 O ILE A 60 7.864 9.579 -3.678 1.00 0.00 O ATOM 923 CB ILE A 60 9.784 7.773 -1.415 1.00 0.00 C ATOM 924 CG1 ILE A 60 9.120 6.398 -1.544 1.00 0.00 C ATOM 925 CG2 ILE A 60 10.514 7.893 -0.088 1.00 0.00 C ATOM 926 CD1 ILE A 60 10.104 5.247 -1.570 1.00 0.00 C ATOM 0 H ILE A 60 6.829 8.235 -2.107 1.00 0.00 H new ATOM 0 HA ILE A 60 8.944 9.667 -0.801 1.00 0.00 H new ATOM 0 HB ILE A 60 10.508 7.874 -2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.432 6.257 -0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.524 6.376 -2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.250 7.093 -0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.019 8.858 -0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.798 7.814 0.730 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.561 4.306 -1.663 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.777 5.363 -2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.683 5.242 -0.646 1.00 0.00 H new ATOM 938 N ASP A 61 10.057 9.930 -3.297 1.00 0.00 N ATOM 939 CA ASP A 61 10.310 10.518 -4.606 1.00 0.00 C ATOM 940 C ASP A 61 10.884 9.478 -5.563 1.00 0.00 C ATOM 941 O ASP A 61 11.210 9.786 -6.710 1.00 0.00 O ATOM 942 CB ASP A 61 11.274 11.700 -4.479 1.00 0.00 C ATOM 943 CG ASP A 61 10.640 12.895 -3.793 1.00 0.00 C ATOM 944 OD1 ASP A 61 9.564 12.728 -3.180 1.00 0.00 O ATOM 945 OD2 ASP A 61 11.218 14.000 -3.870 1.00 0.00 O ATOM 0 H ASP A 61 10.878 9.877 -2.694 1.00 0.00 H new ATOM 0 HA ASP A 61 9.362 10.874 -5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.155 11.388 -3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.616 11.994 -5.471 1.00 0.00 H new ATOM 950 N TYR A 62 11.006 8.245 -5.080 1.00 0.00 N ATOM 951 CA TYR A 62 11.535 7.151 -5.888 1.00 0.00 C ATOM 952 C TYR A 62 10.739 5.870 -5.644 1.00 0.00 C ATOM 953 O TYR A 62 10.208 5.661 -4.554 1.00 0.00 O ATOM 954 CB TYR A 62 13.013 6.922 -5.567 1.00 0.00 C ATOM 955 CG TYR A 62 13.938 7.917 -6.233 1.00 0.00 C ATOM 956 CD1 TYR A 62 14.262 9.116 -5.612 1.00 0.00 C ATOM 957 CD2 TYR A 62 14.486 7.656 -7.483 1.00 0.00 C ATOM 958 CE1 TYR A 62 15.105 10.028 -6.218 1.00 0.00 C ATOM 959 CE2 TYR A 62 15.331 8.562 -8.094 1.00 0.00 C ATOM 960 CZ TYR A 62 15.638 9.746 -7.457 1.00 0.00 C ATOM 961 OH TYR A 62 16.477 10.652 -8.064 1.00 0.00 O ATOM 0 H TYR A 62 10.745 7.978 -4.131 1.00 0.00 H new ATOM 0 HA TYR A 62 11.441 7.423 -6.939 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.154 6.973 -4.487 1.00 0.00 H new ATOM 0 HB3 TYR A 62 13.292 5.915 -5.877 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.848 9.339 -4.640 1.00 0.00 H new ATOM 0 HD2 TYR A 62 14.247 6.730 -7.985 1.00 0.00 H new ATOM 0 HE1 TYR A 62 15.345 10.957 -5.723 1.00 0.00 H new ATOM 0 HE2 TYR A 62 15.749 8.344 -9.066 1.00 0.00 H new ATOM 0 HH TYR A 62 16.766 10.300 -8.932 1.00 0.00 H new ATOM 971 N PRO A 63 10.636 4.994 -6.660 1.00 0.00 N ATOM 972 CA PRO A 63 9.882 3.743 -6.547 1.00 0.00 C ATOM 973 C PRO A 63 10.638 2.663 -5.781 1.00 0.00 C ATOM 974 O PRO A 63 11.450 1.935 -6.352 1.00 0.00 O ATOM 975 CB PRO A 63 9.686 3.327 -8.004 1.00 0.00 C ATOM 976 CG PRO A 63 10.873 3.881 -8.713 1.00 0.00 C ATOM 977 CD PRO A 63 11.225 5.163 -8.005 1.00 0.00 C ATOM 0 HA PRO A 63 8.954 3.876 -5.991 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.634 2.243 -8.104 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.758 3.729 -8.410 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.706 3.179 -8.684 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.648 4.066 -9.763 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.304 5.309 -7.954 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.810 6.031 -8.518 1.00 0.00 H new ATOM 985 N MET A 64 10.357 2.555 -4.484 1.00 0.00 N ATOM 986 CA MET A 64 10.995 1.547 -3.644 1.00 0.00 C ATOM 987 C MET A 64 10.527 0.148 -4.037 1.00 0.00 C ATOM 988 O MET A 64 11.140 -0.858 -3.668 1.00 0.00 O ATOM 989 CB MET A 64 10.684 1.810 -2.170 1.00 0.00 C ATOM 990 CG MET A 64 11.922 1.878 -1.289 1.00 0.00 C ATOM 991 SD MET A 64 12.749 0.283 -1.130 1.00 0.00 S ATOM 992 CE MET A 64 14.358 0.664 -1.816 1.00 0.00 C ATOM 0 H MET A 64 9.692 3.153 -3.993 1.00 0.00 H new ATOM 0 HA MET A 64 12.073 1.608 -3.793 1.00 0.00 H new ATOM 0 HB2 MET A 64 10.136 2.748 -2.085 1.00 0.00 H new ATOM 0 HB3 MET A 64 10.028 1.023 -1.800 1.00 0.00 H new ATOM 0 HG2 MET A 64 12.620 2.605 -1.705 1.00 0.00 H new ATOM 0 HG3 MET A 64 11.640 2.237 -0.299 1.00 0.00 H new ATOM 0 HE1 MET A 64 14.986 -0.226 -1.787 1.00 0.00 H new ATOM 0 HE2 MET A 64 14.244 0.994 -2.848 1.00 0.00 H new ATOM 0 HE3 MET A 64 14.825 1.456 -1.231 1.00 0.00 H new ATOM 1002 N SER A 65 9.439 0.094 -4.798 1.00 0.00 N ATOM 1003 CA SER A 65 8.893 -1.175 -5.259 1.00 0.00 C ATOM 1004 C SER A 65 9.904 -1.913 -6.128 1.00 0.00 C ATOM 1005 O SER A 65 9.733 -3.093 -6.425 1.00 0.00 O ATOM 1006 CB SER A 65 7.598 -0.944 -6.042 1.00 0.00 C ATOM 1007 OG SER A 65 7.779 0.035 -7.050 1.00 0.00 O ATOM 0 H SER A 65 8.919 0.915 -5.108 1.00 0.00 H new ATOM 0 HA SER A 65 8.673 -1.789 -4.386 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.271 -1.880 -6.495 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.809 -0.627 -5.360 1.00 0.00 H new ATOM 0 HG SER A 65 6.938 0.163 -7.537 1.00 0.00 H new ATOM 1013 N LYS A 66 10.961 -1.209 -6.524 1.00 0.00 N ATOM 1014 CA LYS A 66 12.007 -1.796 -7.353 1.00 0.00 C ATOM 1015 C LYS A 66 12.597 -3.035 -6.688 1.00 0.00 C ATOM 1016 O LYS A 66 12.948 -4.001 -7.362 1.00 0.00 O ATOM 1017 CB LYS A 66 13.113 -0.771 -7.621 1.00 0.00 C ATOM 1018 CG LYS A 66 13.715 -0.180 -6.354 1.00 0.00 C ATOM 1019 CD LYS A 66 14.866 0.759 -6.670 1.00 0.00 C ATOM 1020 CE LYS A 66 15.909 0.756 -5.564 1.00 0.00 C ATOM 1021 NZ LYS A 66 15.935 2.047 -4.822 1.00 0.00 N ATOM 0 H LYS A 66 11.115 -0.230 -6.283 1.00 0.00 H new ATOM 0 HA LYS A 66 11.559 -2.093 -8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.904 -1.246 -8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.709 0.036 -8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.945 0.359 -5.802 1.00 0.00 H new ATOM 0 HG3 LYS A 66 14.067 -0.984 -5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 66 15.331 0.463 -7.610 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.484 1.770 -6.808 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.700 -0.058 -4.870 1.00 0.00 H new ATOM 0 HE3 LYS A 66 16.892 0.564 -5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.598 1.975 -4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.242 2.808 -5.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.983 2.260 -4.463 1.00 0.00 H new ATOM 1035 N GLU A 67 12.704 -2.993 -5.364 1.00 0.00 N ATOM 1036 CA GLU A 67 13.216 -4.127 -4.603 1.00 0.00 C ATOM 1037 C GLU A 67 12.060 -4.994 -4.117 1.00 0.00 C ATOM 1038 O GLU A 67 12.200 -6.209 -3.943 1.00 0.00 O ATOM 1039 CB GLU A 67 14.047 -3.641 -3.415 1.00 0.00 C ATOM 1040 CG GLU A 67 15.535 -3.543 -3.712 1.00 0.00 C ATOM 1041 CD GLU A 67 16.338 -4.637 -3.038 1.00 0.00 C ATOM 1042 OE1 GLU A 67 15.925 -5.813 -3.119 1.00 0.00 O ATOM 1043 OE2 GLU A 67 17.382 -4.319 -2.429 1.00 0.00 O ATOM 0 H GLU A 67 12.443 -2.187 -4.796 1.00 0.00 H new ATOM 0 HA GLU A 67 13.857 -4.723 -5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.682 -2.662 -3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.897 -4.320 -2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.691 -3.595 -4.790 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.904 -2.572 -3.383 1.00 0.00 H new ATOM 1050 N ARG A 68 10.904 -4.363 -3.938 1.00 0.00 N ATOM 1051 CA ARG A 68 9.709 -5.067 -3.492 1.00 0.00 C ATOM 1052 C ARG A 68 9.295 -6.137 -4.501 1.00 0.00 C ATOM 1053 O ARG A 68 8.845 -7.216 -4.119 1.00 0.00 O ATOM 1054 CB ARG A 68 8.562 -4.079 -3.273 1.00 0.00 C ATOM 1055 CG ARG A 68 8.635 -3.349 -1.942 1.00 0.00 C ATOM 1056 CD ARG A 68 7.394 -2.505 -1.699 1.00 0.00 C ATOM 1057 NE ARG A 68 6.779 -2.792 -0.407 1.00 0.00 N ATOM 1058 CZ ARG A 68 7.029 -2.099 0.701 1.00 0.00 C ATOM 1059 NH1 ARG A 68 7.880 -1.083 0.675 1.00 0.00 N ATOM 1060 NH2 ARG A 68 6.427 -2.425 1.837 1.00 0.00 N ATOM 0 H ARG A 68 10.770 -3.364 -4.095 1.00 0.00 H new ATOM 0 HA ARG A 68 9.939 -5.559 -2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.565 -3.347 -4.080 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.615 -4.615 -3.333 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.747 -4.073 -1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.519 -2.711 -1.924 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.659 -1.449 -1.747 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.670 -2.688 -2.493 1.00 0.00 H new ATOM 0 HE ARG A 68 6.120 -3.568 -0.350 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.346 -0.830 -0.196 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.069 -0.554 1.526 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.772 -3.207 1.861 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.619 -1.894 2.686 1.00 0.00 H new ATOM 1074 N ILE A 69 9.458 -5.837 -5.790 1.00 0.00 N ATOM 1075 CA ILE A 69 9.094 -6.780 -6.844 1.00 0.00 C ATOM 1076 C ILE A 69 9.922 -8.068 -6.752 1.00 0.00 C ATOM 1077 O ILE A 69 9.356 -9.152 -6.652 1.00 0.00 O ATOM 1078 CB ILE A 69 9.246 -6.160 -8.251 1.00 0.00 C ATOM 1079 CG1 ILE A 69 8.381 -4.904 -8.376 1.00 0.00 C ATOM 1080 CG2 ILE A 69 8.872 -7.171 -9.325 1.00 0.00 C ATOM 1081 CD1 ILE A 69 8.963 -3.859 -9.304 1.00 0.00 C ATOM 0 H ILE A 69 9.838 -4.952 -6.127 1.00 0.00 H new ATOM 0 HA ILE A 69 8.043 -7.026 -6.691 1.00 0.00 H new ATOM 0 HB ILE A 69 10.290 -5.879 -8.392 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.392 -5.188 -8.736 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.246 -4.466 -7.387 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.985 -6.716 -10.309 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.526 -8.040 -9.250 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.837 -7.483 -9.187 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.297 -2.997 -9.344 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.939 -3.547 -8.933 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.072 -4.280 -10.303 1.00 0.00 H new ATOM 1093 N PRO A 70 11.272 -7.976 -6.769 1.00 0.00 N ATOM 1094 CA PRO A 70 12.143 -9.155 -6.686 1.00 0.00 C ATOM 1095 C PRO A 70 11.730 -10.116 -5.574 1.00 0.00 C ATOM 1096 O PRO A 70 11.808 -11.334 -5.734 1.00 0.00 O ATOM 1097 CB PRO A 70 13.517 -8.556 -6.391 1.00 0.00 C ATOM 1098 CG PRO A 70 13.476 -7.210 -7.024 1.00 0.00 C ATOM 1099 CD PRO A 70 12.056 -6.729 -6.889 1.00 0.00 C ATOM 0 HA PRO A 70 12.105 -9.751 -7.598 1.00 0.00 H new ATOM 0 HB2 PRO A 70 13.698 -8.486 -5.318 1.00 0.00 H new ATOM 0 HB3 PRO A 70 14.316 -9.168 -6.810 1.00 0.00 H new ATOM 0 HG2 PRO A 70 14.168 -6.526 -6.532 1.00 0.00 H new ATOM 0 HG3 PRO A 70 13.772 -7.263 -8.072 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.931 -6.092 -6.014 1.00 0.00 H new ATOM 0 HD3 PRO A 70 11.748 -6.144 -7.756 1.00 0.00 H new ATOM 1107 N GLU A 71 11.286 -9.566 -4.450 1.00 0.00 N ATOM 1108 CA GLU A 71 10.861 -10.388 -3.322 1.00 0.00 C ATOM 1109 C GLU A 71 9.545 -11.103 -3.627 1.00 0.00 C ATOM 1110 O GLU A 71 9.446 -12.329 -3.518 1.00 0.00 O ATOM 1111 CB GLU A 71 10.704 -9.527 -2.068 1.00 0.00 C ATOM 1112 CG GLU A 71 12.025 -9.183 -1.396 1.00 0.00 C ATOM 1113 CD GLU A 71 12.762 -10.409 -0.894 1.00 0.00 C ATOM 1114 OE1 GLU A 71 12.513 -10.820 0.259 1.00 0.00 O ATOM 1115 OE2 GLU A 71 13.590 -10.956 -1.653 1.00 0.00 O ATOM 0 H GLU A 71 11.211 -8.561 -4.295 1.00 0.00 H new ATOM 0 HA GLU A 71 11.630 -11.141 -3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.190 -8.603 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.069 -10.052 -1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.659 -8.647 -2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.838 -8.509 -0.560 1.00 0.00 H new ATOM 1122 N THR A 72 8.537 -10.330 -4.017 1.00 0.00 N ATOM 1123 CA THR A 72 7.220 -10.881 -4.310 1.00 0.00 C ATOM 1124 C THR A 72 7.271 -11.894 -5.452 1.00 0.00 C ATOM 1125 O THR A 72 6.575 -12.906 -5.417 1.00 0.00 O ATOM 1126 CB THR A 72 6.235 -9.759 -4.645 1.00 0.00 C ATOM 1127 OG1 THR A 72 6.568 -8.574 -3.943 1.00 0.00 O ATOM 1128 CG2 THR A 72 4.800 -10.103 -4.309 1.00 0.00 C ATOM 0 H THR A 72 8.608 -9.320 -4.137 1.00 0.00 H new ATOM 0 HA THR A 72 6.878 -11.404 -3.417 1.00 0.00 H new ATOM 0 HB THR A 72 6.315 -9.616 -5.723 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.244 -8.074 -4.447 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.154 -9.265 -4.571 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.496 -10.986 -4.872 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.715 -10.306 -3.242 1.00 0.00 H new ATOM 1136 N VAL A 73 8.092 -11.626 -6.467 1.00 0.00 N ATOM 1137 CA VAL A 73 8.213 -12.524 -7.596 1.00 0.00 C ATOM 1138 C VAL A 73 8.861 -13.834 -7.178 1.00 0.00 C ATOM 1139 O VAL A 73 8.600 -14.882 -7.771 1.00 0.00 O ATOM 1140 CB VAL A 73 9.035 -11.888 -8.730 1.00 0.00 C ATOM 1141 CG1 VAL A 73 8.431 -10.564 -9.166 1.00 0.00 C ATOM 1142 CG2 VAL A 73 10.487 -11.708 -8.316 1.00 0.00 C ATOM 0 H VAL A 73 8.679 -10.794 -6.523 1.00 0.00 H new ATOM 0 HA VAL A 73 7.205 -12.722 -7.961 1.00 0.00 H new ATOM 0 HB VAL A 73 9.008 -12.568 -9.582 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.032 -10.137 -9.969 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.414 -10.728 -9.522 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.413 -9.876 -8.321 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.046 -11.257 -9.136 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.538 -11.059 -7.441 1.00 0.00 H new ATOM 0 HG23 VAL A 73 10.919 -12.679 -8.074 1.00 0.00 H new ATOM 1152 N LYS A 74 9.690 -13.774 -6.141 1.00 0.00 N ATOM 1153 CA LYS A 74 10.328 -14.971 -5.619 1.00 0.00 C ATOM 1154 C LYS A 74 9.254 -15.963 -5.211 1.00 0.00 C ATOM 1155 O LYS A 74 9.317 -17.146 -5.548 1.00 0.00 O ATOM 1156 CB LYS A 74 11.213 -14.629 -4.419 1.00 0.00 C ATOM 1157 CG LYS A 74 12.575 -15.304 -4.449 1.00 0.00 C ATOM 1158 CD LYS A 74 13.446 -14.763 -5.571 1.00 0.00 C ATOM 1159 CE LYS A 74 14.149 -13.478 -5.164 1.00 0.00 C ATOM 1160 NZ LYS A 74 14.400 -12.587 -6.330 1.00 0.00 N ATOM 0 H LYS A 74 9.933 -12.914 -5.650 1.00 0.00 H new ATOM 0 HA LYS A 74 10.960 -15.409 -6.391 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.354 -13.549 -4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.695 -14.917 -3.504 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.077 -15.153 -3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.446 -16.379 -4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.188 -15.512 -5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.832 -14.579 -6.453 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.542 -12.950 -4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.096 -13.720 -4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.268 -12.038 -6.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.511 -13.162 -7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.597 -11.937 -6.450 1.00 0.00 H new ATOM 1174 N LYS A 75 8.229 -15.448 -4.540 1.00 0.00 N ATOM 1175 CA LYS A 75 7.090 -16.268 -4.142 1.00 0.00 C ATOM 1176 C LYS A 75 6.014 -16.256 -5.232 1.00 0.00 C ATOM 1177 O LYS A 75 5.868 -17.226 -5.977 1.00 0.00 O ATOM 1178 CB LYS A 75 6.505 -15.792 -2.804 1.00 0.00 C ATOM 1179 CG LYS A 75 6.432 -14.280 -2.653 1.00 0.00 C ATOM 1180 CD LYS A 75 7.405 -13.776 -1.600 1.00 0.00 C ATOM 1181 CE LYS A 75 6.673 -13.233 -0.384 1.00 0.00 C ATOM 1182 NZ LYS A 75 7.406 -13.522 0.881 1.00 0.00 N ATOM 0 H LYS A 75 8.163 -14.469 -4.261 1.00 0.00 H new ATOM 0 HA LYS A 75 7.442 -17.291 -4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.503 -16.205 -2.692 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.109 -16.197 -1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.653 -13.807 -3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.417 -13.989 -2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.067 -14.587 -1.296 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.033 -12.995 -2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.542 -12.156 -0.490 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.676 -13.672 -0.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.874 -13.135 1.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.509 -14.551 0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.348 -13.082 0.845 1.00 0.00 H new ATOM 1196 N LEU A 76 5.235 -15.176 -5.293 1.00 0.00 N ATOM 1197 CA LEU A 76 4.195 -15.032 -6.309 1.00 0.00 C ATOM 1198 C LEU A 76 4.673 -14.148 -7.458 1.00 0.00 C ATOM 1199 O LEU A 76 5.363 -14.609 -8.367 1.00 0.00 O ATOM 1200 CB LEU A 76 2.916 -14.450 -5.697 1.00 0.00 C ATOM 1201 CG LEU A 76 3.118 -13.627 -4.424 1.00 0.00 C ATOM 1202 CD1 LEU A 76 2.108 -12.490 -4.363 1.00 0.00 C ATOM 1203 CD2 LEU A 76 3.004 -14.511 -3.191 1.00 0.00 C ATOM 0 H LEU A 76 5.305 -14.388 -4.650 1.00 0.00 H new ATOM 0 HA LEU A 76 3.975 -16.024 -6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.429 -13.822 -6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.233 -15.270 -5.476 1.00 0.00 H new ATOM 0 HG LEU A 76 4.120 -13.199 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.264 -11.913 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.237 -11.842 -5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.098 -12.900 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.151 -13.907 -2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.015 -14.969 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.764 -15.291 -3.231 1.00 0.00 H new ATOM 1215 N GLY A 77 4.301 -12.869 -7.402 1.00 0.00 N ATOM 1216 CA GLY A 77 4.695 -11.927 -8.431 1.00 0.00 C ATOM 1217 C GLY A 77 4.956 -10.541 -7.870 1.00 0.00 C ATOM 1218 O GLY A 77 6.096 -10.186 -7.588 1.00 0.00 O ATOM 0 H GLY A 77 3.731 -12.470 -6.656 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.594 -12.291 -8.929 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.912 -11.869 -9.187 1.00 0.00 H new ATOM 1222 N HIS A 78 3.899 -9.751 -7.716 1.00 0.00 N ATOM 1223 CA HIS A 78 4.027 -8.405 -7.165 1.00 0.00 C ATOM 1224 C HIS A 78 2.799 -8.040 -6.338 1.00 0.00 C ATOM 1225 O HIS A 78 1.707 -8.560 -6.573 1.00 0.00 O ATOM 1226 CB HIS A 78 4.239 -7.375 -8.279 1.00 0.00 C ATOM 1227 CG HIS A 78 3.726 -7.816 -9.617 1.00 0.00 C ATOM 1228 ND1 HIS A 78 2.458 -8.326 -9.765 1.00 0.00 N ATOM 1229 CD2 HIS A 78 4.340 -7.796 -10.826 1.00 0.00 C ATOM 1230 CE1 HIS A 78 2.328 -8.606 -11.050 1.00 0.00 C ATOM 1231 NE2 HIS A 78 3.442 -8.302 -11.731 1.00 0.00 N ATOM 0 H HIS A 78 2.946 -10.018 -7.964 1.00 0.00 H new ATOM 0 HA HIS A 78 4.901 -8.393 -6.514 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.745 -6.445 -8.000 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.304 -7.158 -8.362 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.341 -7.449 -11.035 1.00 0.00 H new ATOM 0 HE1 HIS A 78 1.438 -9.026 -11.495 1.00 0.00 H new ATOM 0 HE2 HIS A 78 3.593 -8.424 -12.732 1.00 0.00 H new ATOM 1239 N GLU A 79 2.985 -7.157 -5.361 1.00 0.00 N ATOM 1240 CA GLU A 79 1.900 -6.720 -4.509 1.00 0.00 C ATOM 1241 C GLU A 79 1.339 -5.401 -5.022 1.00 0.00 C ATOM 1242 O GLU A 79 1.538 -4.351 -4.418 1.00 0.00 O ATOM 1243 CB GLU A 79 2.402 -6.565 -3.069 1.00 0.00 C ATOM 1244 CG GLU A 79 3.882 -6.873 -2.892 1.00 0.00 C ATOM 1245 CD GLU A 79 4.187 -7.526 -1.559 1.00 0.00 C ATOM 1246 OE1 GLU A 79 3.924 -8.738 -1.417 1.00 0.00 O ATOM 1247 OE2 GLU A 79 4.694 -6.826 -0.656 1.00 0.00 O ATOM 0 H GLU A 79 3.886 -6.731 -5.144 1.00 0.00 H new ATOM 0 HA GLU A 79 1.105 -7.466 -4.524 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.212 -5.544 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.824 -7.224 -2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.211 -7.529 -3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.454 -5.949 -2.979 1.00 0.00 H new ATOM 1254 N VAL A 80 0.644 -5.460 -6.150 1.00 0.00 N ATOM 1255 CA VAL A 80 0.108 -4.257 -6.772 1.00 0.00 C ATOM 1256 C VAL A 80 -1.361 -4.058 -6.431 1.00 0.00 C ATOM 1257 O VAL A 80 -2.200 -4.912 -6.718 1.00 0.00 O ATOM 1258 CB VAL A 80 0.263 -4.303 -8.305 1.00 0.00 C ATOM 1259 CG1 VAL A 80 0.341 -2.894 -8.872 1.00 0.00 C ATOM 1260 CG2 VAL A 80 1.488 -5.115 -8.699 1.00 0.00 C ATOM 0 H VAL A 80 0.439 -6.324 -6.651 1.00 0.00 H new ATOM 0 HA VAL A 80 0.682 -3.420 -6.376 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.614 -4.794 -8.726 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.450 -2.943 -9.955 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.571 -2.351 -8.624 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.200 -2.377 -8.444 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.578 -5.134 -9.785 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.380 -4.660 -8.269 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.385 -6.134 -8.325 1.00 0.00 H new ATOM 1270 N LEU A 81 -1.667 -2.911 -5.831 1.00 0.00 N ATOM 1271 CA LEU A 81 -3.035 -2.590 -5.452 1.00 0.00 C ATOM 1272 C LEU A 81 -3.402 -1.171 -5.866 1.00 0.00 C ATOM 1273 O LEU A 81 -4.529 -0.914 -6.292 1.00 0.00 O ATOM 1274 CB LEU A 81 -3.231 -2.776 -3.943 1.00 0.00 C ATOM 1275 CG LEU A 81 -2.885 -1.559 -3.080 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -4.149 -0.818 -2.673 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -2.092 -1.982 -1.854 1.00 0.00 C ATOM 0 H LEU A 81 -0.984 -2.190 -5.598 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.699 -3.276 -5.978 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.271 -3.046 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.620 -3.618 -3.616 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.266 -0.883 -3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.884 0.044 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.676 -0.481 -3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.794 -1.485 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.855 -1.104 -1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.684 -2.679 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.168 -2.467 -2.168 1.00 0.00 H new ATOM 1289 N GLU A 82 -2.450 -0.252 -5.745 1.00 0.00 N ATOM 1290 CA GLU A 82 -2.699 1.141 -6.108 1.00 0.00 C ATOM 1291 C GLU A 82 -1.415 1.861 -6.515 1.00 0.00 C ATOM 1292 O GLU A 82 -0.357 1.652 -5.924 1.00 0.00 O ATOM 1293 CB GLU A 82 -3.360 1.880 -4.943 1.00 0.00 C ATOM 1294 CG GLU A 82 -4.488 2.804 -5.370 1.00 0.00 C ATOM 1295 CD GLU A 82 -4.181 4.264 -5.097 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -3.869 4.598 -3.935 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -4.255 5.073 -6.046 1.00 0.00 O ATOM 0 H GLU A 82 -1.508 -0.442 -5.402 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.369 1.140 -6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.749 1.149 -4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.604 2.463 -4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.679 2.670 -6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.401 2.524 -4.844 1.00 0.00 H new ATOM 1304 N ILE A 83 -1.530 2.724 -7.524 1.00 0.00 N ATOM 1305 CA ILE A 83 -0.399 3.514 -8.008 1.00 0.00 C ATOM 1306 C ILE A 83 -0.867 4.907 -8.422 1.00 0.00 C ATOM 1307 O ILE A 83 -1.837 5.043 -9.168 1.00 0.00 O ATOM 1308 CB ILE A 83 0.297 2.847 -9.212 1.00 0.00 C ATOM 1309 CG1 ILE A 83 0.666 1.398 -8.887 1.00 0.00 C ATOM 1310 CG2 ILE A 83 1.538 3.633 -9.612 1.00 0.00 C ATOM 1311 CD1 ILE A 83 0.070 0.396 -9.850 1.00 0.00 C ATOM 0 H ILE A 83 -2.402 2.894 -8.025 1.00 0.00 H new ATOM 0 HA ILE A 83 0.316 3.583 -7.188 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.398 2.845 -10.051 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.751 1.297 -8.895 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.331 1.163 -7.877 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.017 3.149 -10.463 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.253 4.649 -9.886 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.234 3.665 -8.774 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.372 -0.611 -9.561 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.017 0.470 -9.825 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.425 0.605 -10.859 1.00 0.00 H new ATOM 1323 N GLU A 84 -0.186 5.940 -7.932 1.00 0.00 N ATOM 1324 CA GLU A 84 -0.561 7.312 -8.255 1.00 0.00 C ATOM 1325 C GLU A 84 0.612 8.270 -8.090 1.00 0.00 C ATOM 1326 O GLU A 84 1.714 7.870 -7.710 1.00 0.00 O ATOM 1327 CB GLU A 84 -1.725 7.761 -7.368 1.00 0.00 C ATOM 1328 CG GLU A 84 -1.384 7.804 -5.888 1.00 0.00 C ATOM 1329 CD GLU A 84 -2.164 8.869 -5.140 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -3.120 9.425 -5.722 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -1.821 9.145 -3.971 1.00 0.00 O ATOM 0 H GLU A 84 0.622 5.854 -7.315 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.868 7.333 -9.301 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.051 8.751 -7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.567 7.085 -7.518 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.588 6.830 -5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.317 7.991 -5.770 1.00 0.00 H new ATOM 1338 N GLU A 85 0.354 9.542 -8.370 1.00 0.00 N ATOM 1339 CA GLU A 85 1.372 10.580 -8.259 1.00 0.00 C ATOM 1340 C GLU A 85 0.815 11.795 -7.524 1.00 0.00 C ATOM 1341 O GLU A 85 -0.400 11.976 -7.436 1.00 0.00 O ATOM 1342 CB GLU A 85 1.866 10.989 -9.648 1.00 0.00 C ATOM 1343 CG GLU A 85 0.744 11.274 -10.634 1.00 0.00 C ATOM 1344 CD GLU A 85 1.185 11.133 -12.079 1.00 0.00 C ATOM 1345 OE1 GLU A 85 2.049 10.276 -12.355 1.00 0.00 O ATOM 1346 OE2 GLU A 85 0.662 11.880 -12.933 1.00 0.00 O ATOM 0 H GLU A 85 -0.558 9.881 -8.678 1.00 0.00 H new ATOM 0 HA GLU A 85 2.211 10.181 -7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.491 11.877 -9.555 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.497 10.196 -10.048 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.084 10.592 -10.443 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.369 12.284 -10.470 1.00 0.00 H new ATOM 1353 N VAL A 86 1.709 12.620 -6.987 1.00 0.00 N ATOM 1354 CA VAL A 86 1.300 13.805 -6.242 1.00 0.00 C ATOM 1355 C VAL A 86 1.858 15.078 -6.871 1.00 0.00 C ATOM 1356 O VAL A 86 1.106 15.906 -7.387 1.00 0.00 O ATOM 1357 CB VAL A 86 1.756 13.726 -4.774 1.00 0.00 C ATOM 1358 CG1 VAL A 86 1.164 14.870 -3.965 1.00 0.00 C ATOM 1359 CG2 VAL A 86 1.374 12.384 -4.173 1.00 0.00 C ATOM 0 H VAL A 86 2.718 12.490 -7.054 1.00 0.00 H new ATOM 0 HA VAL A 86 0.211 13.839 -6.277 1.00 0.00 H new ATOM 0 HB VAL A 86 2.842 13.819 -4.744 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.499 14.795 -2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.492 15.821 -4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.076 14.815 -3.999 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.703 12.343 -3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.292 12.261 -4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.853 11.583 -4.737 1.00 0.00 H new ATOM 1369 N GLY A 87 3.178 15.231 -6.819 1.00 0.00 N ATOM 1370 CA GLY A 87 3.809 16.415 -7.375 1.00 0.00 C ATOM 1371 C GLY A 87 4.848 16.083 -8.431 1.00 0.00 C ATOM 1372 O GLY A 87 4.683 15.123 -9.184 1.00 0.00 O ATOM 0 H GLY A 87 3.821 14.558 -6.403 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.045 17.058 -7.812 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.281 16.981 -6.572 1.00 0.00 H new ATOM 1376 N PRO A 88 5.939 16.870 -8.516 1.00 0.00 N ATOM 1377 CA PRO A 88 6.999 16.650 -9.506 1.00 0.00 C ATOM 1378 C PRO A 88 7.596 15.248 -9.421 1.00 0.00 C ATOM 1379 O PRO A 88 7.221 14.358 -10.186 1.00 0.00 O ATOM 1380 CB PRO A 88 8.052 17.705 -9.153 1.00 0.00 C ATOM 1381 CG PRO A 88 7.304 18.759 -8.410 1.00 0.00 C ATOM 1382 CD PRO A 88 6.216 18.041 -7.663 1.00 0.00 C ATOM 0 HA PRO A 88 6.621 16.735 -10.525 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.848 17.280 -8.542 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.521 18.111 -10.049 1.00 0.00 H new ATOM 0 HG2 PRO A 88 7.961 19.295 -7.725 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.886 19.498 -9.094 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.540 17.745 -6.665 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.332 18.667 -7.538 1.00 0.00 H new ATOM 1390 N SER A 89 8.529 15.055 -8.493 1.00 0.00 N ATOM 1391 CA SER A 89 9.178 13.760 -8.322 1.00 0.00 C ATOM 1392 C SER A 89 8.571 12.991 -7.157 1.00 0.00 C ATOM 1393 O SER A 89 8.938 11.845 -6.898 1.00 0.00 O ATOM 1394 CB SER A 89 10.680 13.942 -8.101 1.00 0.00 C ATOM 1395 OG SER A 89 10.934 14.787 -6.993 1.00 0.00 O ATOM 0 H SER A 89 8.852 15.778 -7.849 1.00 0.00 H new ATOM 0 HA SER A 89 9.019 13.183 -9.233 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.147 12.971 -7.936 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.134 14.366 -8.997 1.00 0.00 H new ATOM 0 HG SER A 89 10.946 14.254 -6.171 1.00 0.00 H new ATOM 1401 N GLU A 90 7.640 13.628 -6.460 1.00 0.00 N ATOM 1402 CA GLU A 90 6.973 13.003 -5.321 1.00 0.00 C ATOM 1403 C GLU A 90 5.778 12.177 -5.784 1.00 0.00 C ATOM 1404 O GLU A 90 4.830 12.708 -6.362 1.00 0.00 O ATOM 1405 CB GLU A 90 6.518 14.060 -4.310 1.00 0.00 C ATOM 1406 CG GLU A 90 6.209 15.415 -4.929 1.00 0.00 C ATOM 1407 CD GLU A 90 6.980 16.543 -4.272 1.00 0.00 C ATOM 1408 OE1 GLU A 90 6.812 16.745 -3.053 1.00 0.00 O ATOM 1409 OE2 GLU A 90 7.753 17.223 -4.980 1.00 0.00 O ATOM 0 H GLU A 90 7.328 14.578 -6.662 1.00 0.00 H new ATOM 0 HA GLU A 90 7.690 12.341 -4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.629 13.696 -3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.295 14.185 -3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.447 15.388 -5.992 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.140 15.613 -4.846 1.00 0.00 H new ATOM 1416 N TRP A 91 5.837 10.871 -5.534 1.00 0.00 N ATOM 1417 CA TRP A 91 4.764 9.967 -5.931 1.00 0.00 C ATOM 1418 C TRP A 91 4.345 9.069 -4.771 1.00 0.00 C ATOM 1419 O TRP A 91 5.063 8.942 -3.776 1.00 0.00 O ATOM 1420 CB TRP A 91 5.207 9.108 -7.119 1.00 0.00 C ATOM 1421 CG TRP A 91 5.843 9.895 -8.225 1.00 0.00 C ATOM 1422 CD1 TRP A 91 5.274 10.908 -8.943 1.00 0.00 C ATOM 1423 CD2 TRP A 91 7.167 9.729 -8.744 1.00 0.00 C ATOM 1424 NE1 TRP A 91 6.165 11.383 -9.875 1.00 0.00 N ATOM 1425 CE2 TRP A 91 7.334 10.677 -9.772 1.00 0.00 C ATOM 1426 CE3 TRP A 91 8.228 8.874 -8.438 1.00 0.00 C ATOM 1427 CZ2 TRP A 91 8.519 10.791 -10.495 1.00 0.00 C ATOM 1428 CZ3 TRP A 91 9.404 8.988 -9.157 1.00 0.00 C ATOM 1429 CH2 TRP A 91 9.541 9.940 -10.174 1.00 0.00 C ATOM 0 H TRP A 91 6.617 10.417 -5.059 1.00 0.00 H new ATOM 0 HA TRP A 91 3.906 10.572 -6.225 1.00 0.00 H new ATOM 0 HB2 TRP A 91 5.912 8.354 -6.769 1.00 0.00 H new ATOM 0 HB3 TRP A 91 4.342 8.576 -7.514 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.271 11.281 -8.799 1.00 0.00 H new ATOM 0 HE1 TRP A 91 5.985 12.139 -10.536 1.00 0.00 H new ATOM 0 HE3 TRP A 91 8.132 8.137 -7.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 8.627 11.524 -11.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 10.231 8.331 -8.930 1.00 0.00 H new ATOM 0 HH2 TRP A 91 10.473 10.004 -10.716 1.00 0.00 H new ATOM 1440 N LYS A 92 3.179 8.444 -4.910 1.00 0.00 N ATOM 1441 CA LYS A 92 2.660 7.548 -3.885 1.00 0.00 C ATOM 1442 C LYS A 92 2.366 6.174 -4.475 1.00 0.00 C ATOM 1443 O LYS A 92 1.695 6.061 -5.502 1.00 0.00 O ATOM 1444 CB LYS A 92 1.386 8.129 -3.264 1.00 0.00 C ATOM 1445 CG LYS A 92 1.561 8.577 -1.822 1.00 0.00 C ATOM 1446 CD LYS A 92 0.585 7.868 -0.895 1.00 0.00 C ATOM 1447 CE LYS A 92 -0.808 8.470 -0.986 1.00 0.00 C ATOM 1448 NZ LYS A 92 -0.920 9.735 -0.207 1.00 0.00 N ATOM 0 H LYS A 92 2.575 8.543 -5.726 1.00 0.00 H new ATOM 0 HA LYS A 92 3.418 7.443 -3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.055 8.978 -3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.595 7.380 -3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.582 8.376 -1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.411 9.655 -1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.542 6.809 -1.151 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.944 7.933 0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.052 8.664 -2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.539 7.751 -0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.885 10.113 -0.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.713 9.546 0.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.241 10.431 -0.575 1.00 0.00 H new ATOM 1462 N ILE A 93 2.875 5.134 -3.825 1.00 0.00 N ATOM 1463 CA ILE A 93 2.668 3.770 -4.295 1.00 0.00 C ATOM 1464 C ILE A 93 2.076 2.898 -3.196 1.00 0.00 C ATOM 1465 O ILE A 93 2.411 3.048 -2.022 1.00 0.00 O ATOM 1466 CB ILE A 93 3.983 3.129 -4.784 1.00 0.00 C ATOM 1467 CG1 ILE A 93 4.921 4.194 -5.357 1.00 0.00 C ATOM 1468 CG2 ILE A 93 3.694 2.059 -5.824 1.00 0.00 C ATOM 1469 CD1 ILE A 93 6.001 4.631 -4.391 1.00 0.00 C ATOM 0 H ILE A 93 3.432 5.209 -2.974 1.00 0.00 H new ATOM 0 HA ILE A 93 1.971 3.830 -5.131 1.00 0.00 H new ATOM 0 HB ILE A 93 4.477 2.661 -3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.389 3.806 -6.261 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.334 5.064 -5.651 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.631 1.615 -6.160 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.063 1.286 -5.385 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.180 2.507 -6.674 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.628 5.387 -4.864 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.541 5.050 -3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.613 3.772 -4.116 1.00 0.00 H new ATOM 1481 N TYR A 94 1.191 1.988 -3.586 1.00 0.00 N ATOM 1482 CA TYR A 94 0.562 1.081 -2.637 1.00 0.00 C ATOM 1483 C TYR A 94 0.895 -0.367 -2.975 1.00 0.00 C ATOM 1484 O TYR A 94 0.690 -0.816 -4.107 1.00 0.00 O ATOM 1485 CB TYR A 94 -0.955 1.283 -2.623 1.00 0.00 C ATOM 1486 CG TYR A 94 -1.411 2.436 -1.756 1.00 0.00 C ATOM 1487 CD1 TYR A 94 -1.072 3.747 -2.073 1.00 0.00 C ATOM 1488 CD2 TYR A 94 -2.190 2.215 -0.628 1.00 0.00 C ATOM 1489 CE1 TYR A 94 -1.490 4.801 -1.284 1.00 0.00 C ATOM 1490 CE2 TYR A 94 -2.612 3.265 0.164 1.00 0.00 C ATOM 1491 CZ TYR A 94 -2.260 4.556 -0.167 1.00 0.00 C ATOM 1492 OH TYR A 94 -2.678 5.604 0.620 1.00 0.00 O ATOM 0 H TYR A 94 0.894 1.860 -4.553 1.00 0.00 H new ATOM 0 HA TYR A 94 0.953 1.305 -1.644 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.299 1.450 -3.644 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.431 0.367 -2.272 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.473 3.944 -2.950 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.471 1.206 -0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.215 5.813 -1.541 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.215 3.075 1.039 1.00 0.00 H new ATOM 0 HH TYR A 94 -1.931 5.916 1.173 1.00 0.00 H new ATOM 1502 N ILE A 95 1.353 -1.102 -1.966 1.00 0.00 N ATOM 1503 CA ILE A 95 1.737 -2.500 -2.126 1.00 0.00 C ATOM 1504 C ILE A 95 0.955 -3.364 -1.140 1.00 0.00 C ATOM 1505 O ILE A 95 0.560 -2.888 -0.077 1.00 0.00 O ATOM 1506 CB ILE A 95 3.263 -2.682 -1.903 1.00 0.00 C ATOM 1507 CG1 ILE A 95 3.907 -3.374 -3.106 1.00 0.00 C ATOM 1508 CG2 ILE A 95 3.551 -3.466 -0.628 1.00 0.00 C ATOM 1509 CD1 ILE A 95 4.027 -2.485 -4.324 1.00 0.00 C ATOM 0 H ILE A 95 1.468 -0.746 -1.017 1.00 0.00 H new ATOM 0 HA ILE A 95 1.503 -2.812 -3.144 1.00 0.00 H new ATOM 0 HB ILE A 95 3.699 -1.689 -1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.900 -3.725 -2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.319 -4.254 -3.366 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.628 -3.575 -0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.139 -2.932 0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.092 -4.452 -0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.492 -3.042 -5.137 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.035 -2.154 -4.632 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.640 -1.617 -4.082 1.00 0.00 H new ATOM 1521 N LYS A 96 0.672 -4.610 -1.513 1.00 0.00 N ATOM 1522 CA LYS A 96 -0.109 -5.482 -0.638 1.00 0.00 C ATOM 1523 C LYS A 96 0.245 -6.955 -0.828 1.00 0.00 C ATOM 1524 O LYS A 96 -0.089 -7.561 -1.847 1.00 0.00 O ATOM 1525 CB LYS A 96 -1.608 -5.254 -0.875 1.00 0.00 C ATOM 1526 CG LYS A 96 -2.491 -6.445 -0.529 1.00 0.00 C ATOM 1527 CD LYS A 96 -3.168 -7.011 -1.767 1.00 0.00 C ATOM 1528 CE LYS A 96 -4.664 -6.741 -1.757 1.00 0.00 C ATOM 1529 NZ LYS A 96 -5.290 -7.031 -3.078 1.00 0.00 N ATOM 0 H LYS A 96 0.964 -5.032 -2.395 1.00 0.00 H new ATOM 0 HA LYS A 96 0.138 -5.224 0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.930 -4.396 -0.285 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.762 -4.996 -1.923 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.889 -7.220 -0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.247 -6.141 0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.724 -6.570 -2.659 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.992 -8.085 -1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.138 -7.352 -0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -4.843 -5.699 -1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.310 -6.834 -3.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -4.856 -6.430 -3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.142 -8.031 -3.320 1.00 0.00 H new ATOM 1543 N VAL A 97 0.897 -7.532 0.178 1.00 0.00 N ATOM 1544 CA VAL A 97 1.254 -8.944 0.145 1.00 0.00 C ATOM 1545 C VAL A 97 -0.001 -9.804 0.093 1.00 0.00 C ATOM 1546 O VAL A 97 -0.840 -9.741 0.994 1.00 0.00 O ATOM 1547 CB VAL A 97 2.087 -9.350 1.379 1.00 0.00 C ATOM 1548 CG1 VAL A 97 2.700 -10.729 1.183 1.00 0.00 C ATOM 1549 CG2 VAL A 97 3.165 -8.318 1.669 1.00 0.00 C ATOM 0 H VAL A 97 1.188 -7.043 1.024 1.00 0.00 H new ATOM 0 HA VAL A 97 1.855 -9.104 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 97 1.419 -9.392 2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 97 3.283 -10.996 2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.907 -11.462 1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.350 -10.717 0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.738 -8.627 2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.830 -8.235 0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.700 -7.351 1.863 1.00 0.00 H new ATOM 1559 N LYS A 98 -0.140 -10.582 -0.977 1.00 0.00 N ATOM 1560 CA LYS A 98 -1.302 -11.445 -1.149 1.00 0.00 C ATOM 1561 C LYS A 98 -1.063 -12.815 -0.521 1.00 0.00 C ATOM 1562 O LYS A 98 -2.034 -13.593 -0.415 1.00 0.00 O ATOM 1563 CB LYS A 98 -1.631 -11.602 -2.635 1.00 0.00 C ATOM 1564 CG LYS A 98 -1.891 -10.281 -3.343 1.00 0.00 C ATOM 1565 CD LYS A 98 -3.014 -10.403 -4.360 1.00 0.00 C ATOM 1566 CE LYS A 98 -2.482 -10.378 -5.784 1.00 0.00 C ATOM 1567 NZ LYS A 98 -3.363 -11.128 -6.721 1.00 0.00 N ATOM 1568 OXT LYS A 98 0.092 -13.098 -0.143 1.00 0.00 O ATOM 0 H LYS A 98 0.538 -10.632 -1.737 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.147 -10.978 -0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.805 -12.114 -3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.509 -12.240 -2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.146 -9.518 -2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.981 -9.950 -3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.560 -11.331 -4.191 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.722 -9.586 -4.221 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.392 -9.345 -6.119 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.481 -10.808 -5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.964 -11.086 -7.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.429 -12.120 -6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.312 -10.702 -6.721 1.00 0.00 H new