USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 581 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 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.04) USER MOD Single : A 41 CYS SG : rot 8:sc= -0.771 USER MOD Single : A 43 HIS : no HE2:sc= -0.155 X(o=-0.15,f=-0.39) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -167:sc= -4.38! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 36:sc= 0.2 USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0105 K(o=-0.011,f=0.67) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0224 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.044 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.863 X(o=-0.86,f=-0.75) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -139:sc= -1.7! (180deg=-2.5!) USER MOD Single : A 103 GLN : amide:sc= -0.0844 K(o=-0.084,f=-2.5!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -5.27! C(o=-5.3!,f=-7.8!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 525 N GLN A 35 6.987 -11.201 -0.585 1.00 0.00 N ATOM 526 CA GLN A 35 6.078 -10.029 -0.744 1.00 0.00 C ATOM 527 C GLN A 35 4.650 -10.412 -0.347 1.00 0.00 C ATOM 528 O GLN A 35 4.170 -11.479 -0.679 1.00 0.00 O ATOM 529 CB GLN A 35 6.145 -9.671 -2.231 1.00 0.00 C ATOM 530 CG GLN A 35 5.645 -8.239 -2.435 1.00 0.00 C ATOM 531 CD GLN A 35 5.245 -8.046 -3.899 1.00 0.00 C ATOM 532 OE1 GLN A 35 5.765 -7.181 -4.573 1.00 0.00 O ATOM 533 NE2 GLN A 35 4.332 -8.819 -4.421 1.00 0.00 N ATOM 0 HA GLN A 35 6.370 -9.191 -0.111 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.169 -9.765 -2.593 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.537 -10.366 -2.811 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.793 -8.043 -1.784 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.424 -7.527 -2.162 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.895 -9.546 -3.855 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.056 -8.696 -5.395 1.00 0.00 H new ATOM 542 N ARG A 36 3.968 -9.553 0.362 1.00 0.00 N ATOM 543 CA ARG A 36 2.571 -9.871 0.783 1.00 0.00 C ATOM 544 C ARG A 36 1.695 -8.612 0.718 1.00 0.00 C ATOM 545 O ARG A 36 2.124 -7.545 1.107 1.00 0.00 O ATOM 546 CB ARG A 36 2.699 -10.359 2.226 1.00 0.00 C ATOM 547 CG ARG A 36 1.346 -10.885 2.710 1.00 0.00 C ATOM 548 CD ARG A 36 1.132 -12.307 2.187 1.00 0.00 C ATOM 549 NE ARG A 36 1.443 -13.191 3.344 1.00 0.00 N ATOM 550 CZ ARG A 36 0.822 -14.331 3.480 1.00 0.00 C ATOM 551 NH1 ARG A 36 -0.475 -14.387 3.350 1.00 0.00 N ATOM 552 NH2 ARG A 36 1.500 -15.414 3.746 1.00 0.00 N ATOM 0 H ARG A 36 4.317 -8.645 0.668 1.00 0.00 H new ATOM 0 HA ARG A 36 2.104 -10.615 0.137 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.451 -11.146 2.289 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.035 -9.545 2.868 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.310 -10.878 3.799 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.545 -10.234 2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.108 -12.452 1.843 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.785 -12.519 1.341 1.00 0.00 H new ATOM 0 HE ARG A 36 2.141 -12.906 4.030 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.004 -13.540 3.142 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.960 -15.278 3.456 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.514 -15.369 3.847 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.016 -16.305 3.853 1.00 0.00 H new ATOM 566 N PRO A 37 0.490 -8.778 0.229 1.00 0.00 N ATOM 567 CA PRO A 37 -0.444 -7.630 0.123 1.00 0.00 C ATOM 568 C PRO A 37 -0.975 -7.250 1.508 1.00 0.00 C ATOM 569 O PRO A 37 -1.888 -7.867 2.023 1.00 0.00 O ATOM 570 CB PRO A 37 -1.569 -8.162 -0.760 1.00 0.00 C ATOM 571 CG PRO A 37 -1.534 -9.648 -0.584 1.00 0.00 C ATOM 572 CD PRO A 37 -0.112 -10.024 -0.266 1.00 0.00 C ATOM 0 HA PRO A 37 0.022 -6.733 -0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.533 -7.752 -0.459 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.416 -7.885 -1.803 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.203 -9.956 0.220 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.872 -10.151 -1.490 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.067 -10.813 0.485 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.409 -10.394 -1.149 1.00 0.00 H new ATOM 580 N PHE A 38 -0.407 -6.242 2.115 1.00 0.00 N ATOM 581 CA PHE A 38 -0.876 -5.827 3.469 1.00 0.00 C ATOM 582 C PHE A 38 -2.033 -4.829 3.348 1.00 0.00 C ATOM 583 O PHE A 38 -1.879 -3.745 2.822 1.00 0.00 O ATOM 584 CB PHE A 38 0.337 -5.165 4.124 1.00 0.00 C ATOM 585 CG PHE A 38 1.315 -6.226 4.569 1.00 0.00 C ATOM 586 CD1 PHE A 38 0.901 -7.244 5.437 1.00 0.00 C ATOM 587 CD2 PHE A 38 2.640 -6.193 4.116 1.00 0.00 C ATOM 588 CE1 PHE A 38 1.808 -8.225 5.854 1.00 0.00 C ATOM 589 CE2 PHE A 38 3.548 -7.175 4.530 1.00 0.00 C ATOM 590 CZ PHE A 38 3.134 -8.191 5.399 1.00 0.00 C ATOM 0 H PHE A 38 0.360 -5.689 1.733 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.245 -6.670 4.053 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.817 -4.486 3.420 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.020 -4.567 4.978 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.121 -7.272 5.786 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.962 -5.409 3.446 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.487 -9.007 6.526 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.569 -7.148 4.178 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.835 -8.948 5.719 1.00 0.00 H new ATOM 600 N ARG A 39 -3.190 -5.189 3.838 1.00 0.00 N ATOM 601 CA ARG A 39 -4.358 -4.262 3.758 1.00 0.00 C ATOM 602 C ARG A 39 -4.299 -3.239 4.897 1.00 0.00 C ATOM 603 O ARG A 39 -4.489 -3.570 6.053 1.00 0.00 O ATOM 604 CB ARG A 39 -5.587 -5.161 3.908 1.00 0.00 C ATOM 605 CG ARG A 39 -6.841 -4.384 3.510 1.00 0.00 C ATOM 606 CD ARG A 39 -8.073 -5.275 3.688 1.00 0.00 C ATOM 607 NE ARG A 39 -9.045 -4.793 2.670 1.00 0.00 N ATOM 608 CZ ARG A 39 -8.937 -5.184 1.429 1.00 0.00 C ATOM 609 NH1 ARG A 39 -8.751 -6.447 1.157 1.00 0.00 N ATOM 610 NH2 ARG A 39 -9.015 -4.314 0.461 1.00 0.00 N ATOM 0 H ARG A 39 -3.377 -6.084 4.290 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.376 -3.699 2.825 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.481 -6.046 3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.673 -5.508 4.938 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.936 -3.488 4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.764 -4.055 2.474 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.827 -6.325 3.533 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.481 -5.189 4.695 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.795 -4.158 2.941 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.690 -7.128 1.914 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.667 -6.753 0.188 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.160 -3.327 0.673 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.930 -4.620 -0.508 1.00 0.00 H new ATOM 624 N VAL A 40 -4.035 -2.000 4.578 1.00 0.00 N ATOM 625 CA VAL A 40 -3.957 -0.953 5.640 1.00 0.00 C ATOM 626 C VAL A 40 -5.280 -0.187 5.728 1.00 0.00 C ATOM 627 O VAL A 40 -5.981 -0.024 4.749 1.00 0.00 O ATOM 628 CB VAL A 40 -2.825 -0.023 5.196 1.00 0.00 C ATOM 629 CG1 VAL A 40 -2.654 1.106 6.218 1.00 0.00 C ATOM 630 CG2 VAL A 40 -1.521 -0.821 5.095 1.00 0.00 C ATOM 0 H VAL A 40 -3.870 -1.667 3.628 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.772 -1.378 6.627 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.069 0.404 4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.847 1.766 5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.581 1.675 6.291 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.412 0.681 7.192 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.714 -0.160 4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.280 -1.249 6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.640 -1.622 4.366 1.00 0.00 H new ATOM 640 N CYS A 41 -5.625 0.287 6.898 1.00 0.00 N ATOM 641 CA CYS A 41 -6.900 1.044 7.052 1.00 0.00 C ATOM 642 C CYS A 41 -6.698 2.237 7.993 1.00 0.00 C ATOM 643 O CYS A 41 -5.998 2.148 8.983 1.00 0.00 O ATOM 644 CB CYS A 41 -7.885 0.044 7.658 1.00 0.00 C ATOM 645 SG CYS A 41 -8.407 -1.133 6.385 1.00 0.00 S ATOM 0 H CYS A 41 -5.078 0.182 7.752 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.258 1.445 6.104 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.418 -0.485 8.489 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.751 0.569 8.061 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.691 -0.959 5.314 1.00 0.00 H new ATOM 651 N ASP A 42 -7.311 3.351 7.690 1.00 0.00 N ATOM 652 CA ASP A 42 -7.161 4.553 8.561 1.00 0.00 C ATOM 653 C ASP A 42 -8.077 4.436 9.783 1.00 0.00 C ATOM 654 O ASP A 42 -8.817 3.483 9.919 1.00 0.00 O ATOM 655 CB ASP A 42 -7.571 5.738 7.691 1.00 0.00 C ATOM 656 CG ASP A 42 -6.797 6.983 8.130 1.00 0.00 C ATOM 657 OD1 ASP A 42 -7.159 7.554 9.145 1.00 0.00 O ATOM 658 OD2 ASP A 42 -5.853 7.342 7.445 1.00 0.00 O ATOM 0 H ASP A 42 -7.910 3.480 6.875 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.143 4.664 8.936 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.368 5.521 6.642 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.643 5.913 7.778 1.00 0.00 H new ATOM 663 N HIS A 43 -8.014 5.392 10.680 1.00 0.00 N ATOM 664 CA HIS A 43 -8.860 5.350 11.917 1.00 0.00 C ATOM 665 C HIS A 43 -10.242 4.724 11.644 1.00 0.00 C ATOM 666 O HIS A 43 -10.429 3.537 11.828 1.00 0.00 O ATOM 667 CB HIS A 43 -8.998 6.816 12.342 1.00 0.00 C ATOM 668 CG HIS A 43 -9.885 6.916 13.554 1.00 0.00 C ATOM 669 ND1 HIS A 43 -9.736 6.079 14.650 1.00 0.00 N ATOM 670 CD2 HIS A 43 -10.933 7.748 13.857 1.00 0.00 C ATOM 671 CE1 HIS A 43 -10.671 6.425 15.552 1.00 0.00 C ATOM 672 NE2 HIS A 43 -11.429 7.436 15.119 1.00 0.00 N ATOM 0 H HIS A 43 -7.406 6.208 10.607 1.00 0.00 H new ATOM 0 HA HIS A 43 -8.408 4.731 12.692 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.016 7.234 12.564 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.417 7.403 11.525 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -9.044 5.337 14.753 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.315 8.527 13.214 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.794 5.944 16.511 1.00 0.00 H new ATOM 680 N LYS A 44 -11.212 5.498 11.219 1.00 0.00 N ATOM 681 CA LYS A 44 -12.560 4.906 10.961 1.00 0.00 C ATOM 682 C LYS A 44 -12.707 4.473 9.496 1.00 0.00 C ATOM 683 O LYS A 44 -12.765 3.297 9.194 1.00 0.00 O ATOM 684 CB LYS A 44 -13.548 6.028 11.289 1.00 0.00 C ATOM 685 CG LYS A 44 -14.980 5.519 11.117 1.00 0.00 C ATOM 686 CD LYS A 44 -15.297 4.495 12.214 1.00 0.00 C ATOM 687 CE LYS A 44 -16.538 4.944 12.993 1.00 0.00 C ATOM 688 NZ LYS A 44 -16.592 4.044 14.178 1.00 0.00 N ATOM 0 H LYS A 44 -11.130 6.499 11.042 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.730 4.012 11.560 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.395 6.374 12.311 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.374 6.882 10.634 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.681 6.352 11.169 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.099 5.063 10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.468 3.514 11.771 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.447 4.396 12.889 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.459 5.989 13.294 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.439 4.854 12.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.417 4.289 14.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.673 3.057 13.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.724 4.157 14.739 1.00 0.00 H new ATOM 702 N ARG A 45 -12.771 5.413 8.586 1.00 0.00 N ATOM 703 CA ARG A 45 -12.919 5.047 7.145 1.00 0.00 C ATOM 704 C ARG A 45 -12.333 6.137 6.236 1.00 0.00 C ATOM 705 O ARG A 45 -12.556 6.139 5.041 1.00 0.00 O ATOM 706 CB ARG A 45 -14.429 4.922 6.924 1.00 0.00 C ATOM 707 CG ARG A 45 -14.700 4.424 5.503 1.00 0.00 C ATOM 708 CD ARG A 45 -16.108 3.828 5.430 1.00 0.00 C ATOM 709 NE ARG A 45 -17.024 4.972 5.697 1.00 0.00 N ATOM 710 CZ ARG A 45 -18.008 4.835 6.542 1.00 0.00 C ATOM 711 NH1 ARG A 45 -18.887 3.884 6.373 1.00 0.00 N ATOM 712 NH2 ARG A 45 -18.114 5.649 7.558 1.00 0.00 N ATOM 0 H ARG A 45 -12.727 6.414 8.778 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.386 4.127 6.905 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.857 4.231 7.650 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.911 5.887 7.080 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.605 5.246 4.794 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.961 3.674 5.222 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.300 3.388 4.451 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.240 3.036 6.167 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.882 5.862 5.219 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.804 3.248 5.580 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -19.656 3.777 7.034 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.427 6.392 7.690 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -18.883 5.542 8.219 1.00 0.00 H new ATOM 726 N THR A 46 -11.603 7.071 6.787 1.00 0.00 N ATOM 727 CA THR A 46 -11.024 8.166 5.947 1.00 0.00 C ATOM 728 C THR A 46 -10.235 7.588 4.765 1.00 0.00 C ATOM 729 O THR A 46 -10.432 7.977 3.630 1.00 0.00 O ATOM 730 CB THR A 46 -10.102 8.945 6.884 1.00 0.00 C ATOM 731 OG1 THR A 46 -9.196 8.049 7.512 1.00 0.00 O ATOM 732 CG2 THR A 46 -10.939 9.663 7.945 1.00 0.00 C ATOM 0 H THR A 46 -11.382 7.125 7.781 1.00 0.00 H new ATOM 0 HA THR A 46 -11.799 8.801 5.518 1.00 0.00 H new ATOM 0 HB THR A 46 -9.539 9.682 6.311 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.754 8.502 8.260 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.281 10.218 8.613 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.629 10.353 7.459 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.505 8.930 8.520 1.00 0.00 H new ATOM 740 N ILE A 47 -9.346 6.665 5.020 1.00 0.00 N ATOM 741 CA ILE A 47 -8.550 6.070 3.905 1.00 0.00 C ATOM 742 C ILE A 47 -8.447 4.551 4.077 1.00 0.00 C ATOM 743 O ILE A 47 -8.136 4.055 5.144 1.00 0.00 O ATOM 744 CB ILE A 47 -7.166 6.717 4.010 1.00 0.00 C ATOM 745 CG1 ILE A 47 -7.301 8.238 3.883 1.00 0.00 C ATOM 746 CG2 ILE A 47 -6.273 6.193 2.884 1.00 0.00 C ATOM 747 CD1 ILE A 47 -7.186 8.883 5.267 1.00 0.00 C ATOM 0 H ILE A 47 -9.137 6.298 5.948 1.00 0.00 H new ATOM 0 HA ILE A 47 -9.009 6.249 2.933 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.723 6.470 4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.525 8.628 3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.260 8.491 3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.287 6.653 2.957 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.176 5.111 2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.718 6.442 1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.282 9.965 5.173 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.978 8.503 5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.216 8.641 5.702 1.00 0.00 H new ATOM 759 N ARG A 48 -8.708 3.811 3.032 1.00 0.00 N ATOM 760 CA ARG A 48 -8.627 2.324 3.125 1.00 0.00 C ATOM 761 C ARG A 48 -7.997 1.752 1.850 1.00 0.00 C ATOM 762 O ARG A 48 -8.645 1.635 0.829 1.00 0.00 O ATOM 763 CB ARG A 48 -10.075 1.857 3.263 1.00 0.00 C ATOM 764 CG ARG A 48 -10.111 0.336 3.419 1.00 0.00 C ATOM 765 CD ARG A 48 -11.548 -0.162 3.251 1.00 0.00 C ATOM 766 NE ARG A 48 -11.854 0.030 1.808 1.00 0.00 N ATOM 767 CZ ARG A 48 -11.514 -0.885 0.940 1.00 0.00 C ATOM 768 NH1 ARG A 48 -11.861 -2.128 1.134 1.00 0.00 N ATOM 769 NH2 ARG A 48 -10.830 -0.555 -0.121 1.00 0.00 N ATOM 0 H ARG A 48 -8.974 4.173 2.116 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.012 1.993 3.962 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.540 2.332 4.127 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.649 2.156 2.386 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -9.464 -0.131 2.677 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.729 0.051 4.399 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.639 -1.210 3.538 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.237 0.402 3.879 1.00 0.00 H new ATOM 0 HE ARG A 48 -12.330 0.877 1.496 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.397 -2.384 1.963 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.596 -2.843 0.457 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.561 0.417 -0.272 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.564 -1.269 -0.799 1.00 0.00 H new ATOM 783 N LYS A 49 -6.741 1.397 1.903 1.00 0.00 N ATOM 784 CA LYS A 49 -6.074 0.836 0.693 1.00 0.00 C ATOM 785 C LYS A 49 -5.144 -0.315 1.085 1.00 0.00 C ATOM 786 O LYS A 49 -4.604 -0.348 2.173 1.00 0.00 O ATOM 787 CB LYS A 49 -5.271 2.001 0.110 1.00 0.00 C ATOM 788 CG LYS A 49 -4.542 1.540 -1.156 1.00 0.00 C ATOM 789 CD LYS A 49 -5.558 1.307 -2.279 1.00 0.00 C ATOM 790 CE LYS A 49 -5.123 2.066 -3.534 1.00 0.00 C ATOM 791 NZ LYS A 49 -6.391 2.570 -4.133 1.00 0.00 N ATOM 0 H LYS A 49 -6.149 1.471 2.730 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.789 0.433 -0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.935 2.833 -0.123 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.552 2.364 0.844 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.813 2.291 -1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.990 0.622 -0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.637 0.242 -2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.546 1.642 -1.964 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.449 2.886 -3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.590 1.414 -4.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.178 3.103 -5.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.009 1.766 -4.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.872 3.193 -3.454 1.00 0.00 H new ATOM 805 N GLY A 50 -4.955 -1.261 0.203 1.00 0.00 N ATOM 806 CA GLY A 50 -4.059 -2.410 0.516 1.00 0.00 C ATOM 807 C GLY A 50 -3.022 -2.561 -0.597 1.00 0.00 C ATOM 808 O GLY A 50 -3.349 -2.881 -1.723 1.00 0.00 O ATOM 0 H GLY A 50 -5.384 -1.286 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.562 -2.248 1.472 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.643 -3.326 0.611 1.00 0.00 H new ATOM 812 N LEU A 51 -1.773 -2.331 -0.293 1.00 0.00 N ATOM 813 CA LEU A 51 -0.714 -2.460 -1.335 1.00 0.00 C ATOM 814 C LEU A 51 0.284 -3.553 -0.950 1.00 0.00 C ATOM 815 O LEU A 51 0.329 -3.994 0.184 1.00 0.00 O ATOM 816 CB LEU A 51 -0.025 -1.093 -1.369 1.00 0.00 C ATOM 817 CG LEU A 51 -1.034 -0.024 -1.794 1.00 0.00 C ATOM 818 CD1 LEU A 51 -0.465 1.365 -1.495 1.00 0.00 C ATOM 819 CD2 LEU A 51 -1.307 -0.148 -3.296 1.00 0.00 C ATOM 0 H LEU A 51 -1.440 -2.059 0.632 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.125 -2.737 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.382 -0.854 -0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.814 -1.114 -2.065 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.963 -0.163 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.184 2.126 -1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.269 1.456 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.464 1.504 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.026 0.613 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.377 -0.009 -3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.713 -1.136 -3.512 1.00 0.00 H new ATOM 831 N THR A 52 1.081 -3.996 -1.884 1.00 0.00 N ATOM 832 CA THR A 52 2.077 -5.064 -1.575 1.00 0.00 C ATOM 833 C THR A 52 3.326 -4.454 -0.935 1.00 0.00 C ATOM 834 O THR A 52 3.945 -3.563 -1.484 1.00 0.00 O ATOM 835 CB THR A 52 2.419 -5.691 -2.929 1.00 0.00 C ATOM 836 OG1 THR A 52 2.610 -4.662 -3.891 1.00 0.00 O ATOM 837 CG2 THR A 52 1.275 -6.604 -3.373 1.00 0.00 C ATOM 0 H THR A 52 1.086 -3.665 -2.849 1.00 0.00 H new ATOM 0 HA THR A 52 1.688 -5.800 -0.872 1.00 0.00 H new ATOM 0 HB THR A 52 3.334 -6.277 -2.839 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.036 -3.890 -3.464 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.519 -7.050 -4.337 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.131 -7.392 -2.634 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.359 -6.021 -3.465 1.00 0.00 H new ATOM 845 N ALA A 53 3.700 -4.927 0.223 1.00 0.00 N ATOM 846 CA ALA A 53 4.906 -4.376 0.903 1.00 0.00 C ATOM 847 C ALA A 53 5.725 -5.509 1.527 1.00 0.00 C ATOM 848 O ALA A 53 5.192 -6.379 2.187 1.00 0.00 O ATOM 849 CB ALA A 53 4.361 -3.451 1.992 1.00 0.00 C ATOM 0 H ALA A 53 3.221 -5.673 0.728 1.00 0.00 H new ATOM 0 HA ALA A 53 5.564 -3.850 0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.191 -3.005 2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.763 -2.663 1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.740 -4.025 2.679 1.00 0.00 H new ATOM 855 N ALA A 54 7.014 -5.505 1.324 1.00 0.00 N ATOM 856 CA ALA A 54 7.866 -6.580 1.910 1.00 0.00 C ATOM 857 C ALA A 54 9.182 -5.990 2.423 1.00 0.00 C ATOM 858 O ALA A 54 10.105 -5.757 1.667 1.00 0.00 O ATOM 859 CB ALA A 54 8.129 -7.549 0.757 1.00 0.00 C ATOM 0 H ALA A 54 7.515 -4.804 0.778 1.00 0.00 H new ATOM 0 HA ALA A 54 7.386 -7.072 2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.752 -8.372 1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.181 -7.943 0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.642 -7.024 -0.049 1.00 0.00 H new ATOM 865 N THR A 55 9.277 -5.753 3.705 1.00 0.00 N ATOM 866 CA THR A 55 10.536 -5.181 4.269 1.00 0.00 C ATOM 867 C THR A 55 10.618 -5.468 5.771 1.00 0.00 C ATOM 868 O THR A 55 9.635 -5.803 6.402 1.00 0.00 O ATOM 869 CB THR A 55 10.452 -3.675 4.017 1.00 0.00 C ATOM 870 OG1 THR A 55 9.898 -3.436 2.731 1.00 0.00 O ATOM 871 CG2 THR A 55 11.854 -3.070 4.089 1.00 0.00 C ATOM 0 H THR A 55 8.538 -5.930 4.386 1.00 0.00 H new ATOM 0 HA THR A 55 11.423 -5.616 3.809 1.00 0.00 H new ATOM 0 HB THR A 55 9.816 -3.216 4.774 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.844 -2.470 2.572 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.797 -1.996 3.910 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.278 -3.251 5.077 1.00 0.00 H new ATOM 0 HG23 THR A 55 12.488 -3.531 3.332 1.00 0.00 H new ATOM 879 N ARG A 56 11.786 -5.346 6.344 1.00 0.00 N ATOM 880 CA ARG A 56 11.936 -5.617 7.802 1.00 0.00 C ATOM 881 C ARG A 56 11.720 -4.337 8.620 1.00 0.00 C ATOM 882 O ARG A 56 10.746 -4.207 9.336 1.00 0.00 O ATOM 883 CB ARG A 56 13.369 -6.127 7.966 1.00 0.00 C ATOM 884 CG ARG A 56 13.525 -6.786 9.337 1.00 0.00 C ATOM 885 CD ARG A 56 14.764 -7.684 9.332 1.00 0.00 C ATOM 886 NE ARG A 56 14.379 -8.873 10.142 1.00 0.00 N ATOM 887 CZ ARG A 56 13.851 -9.916 9.559 1.00 0.00 C ATOM 888 NH1 ARG A 56 14.618 -10.813 9.004 1.00 0.00 N ATOM 889 NH2 ARG A 56 12.554 -10.060 9.529 1.00 0.00 N ATOM 0 H ARG A 56 12.643 -5.070 5.864 1.00 0.00 H new ATOM 0 HA ARG A 56 11.201 -6.339 8.159 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.603 -6.843 7.178 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.073 -5.301 7.866 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.618 -6.024 10.111 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.638 -7.373 9.573 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.040 -7.970 8.317 1.00 0.00 H new ATOM 0 HD3 ARG A 56 15.624 -7.173 9.765 1.00 0.00 H new ATOM 0 HE ARG A 56 14.527 -8.873 11.151 1.00 0.00 H new ATOM 0 HH11 ARG A 56 15.632 -10.701 9.025 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.204 -11.627 8.549 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.953 -9.358 9.961 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.142 -10.874 9.074 1.00 0.00 H new ATOM 903 N GLN A 57 12.625 -3.398 8.528 1.00 0.00 N ATOM 904 CA GLN A 57 12.477 -2.133 9.311 1.00 0.00 C ATOM 905 C GLN A 57 11.713 -1.075 8.510 1.00 0.00 C ATOM 906 O GLN A 57 10.758 -0.493 8.988 1.00 0.00 O ATOM 907 CB GLN A 57 13.906 -1.667 9.579 1.00 0.00 C ATOM 908 CG GLN A 57 13.881 -0.475 10.540 1.00 0.00 C ATOM 909 CD GLN A 57 15.268 0.169 10.591 1.00 0.00 C ATOM 910 OE1 GLN A 57 15.650 0.890 9.691 1.00 0.00 O ATOM 911 NE2 GLN A 57 16.042 -0.062 11.616 1.00 0.00 N ATOM 0 H GLN A 57 13.460 -3.451 7.945 1.00 0.00 H new ATOM 0 HA GLN A 57 11.912 -2.291 10.230 1.00 0.00 H new ATOM 0 HB2 GLN A 57 14.491 -2.481 10.007 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.389 -1.384 8.644 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.141 0.255 10.211 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.584 -0.803 11.536 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.721 -0.667 12.371 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.968 0.363 11.662 1.00 0.00 H new ATOM 920 N GLU A 58 12.129 -0.810 7.300 1.00 0.00 N ATOM 921 CA GLU A 58 11.432 0.225 6.474 1.00 0.00 C ATOM 922 C GLU A 58 9.926 -0.060 6.400 1.00 0.00 C ATOM 923 O GLU A 58 9.134 0.825 6.141 1.00 0.00 O ATOM 924 CB GLU A 58 12.064 0.124 5.085 1.00 0.00 C ATOM 925 CG GLU A 58 11.810 1.422 4.316 1.00 0.00 C ATOM 926 CD GLU A 58 12.160 1.217 2.841 1.00 0.00 C ATOM 927 OE1 GLU A 58 13.326 0.996 2.554 1.00 0.00 O ATOM 928 OE2 GLU A 58 11.258 1.286 2.023 1.00 0.00 O ATOM 0 H GLU A 58 12.921 -1.264 6.846 1.00 0.00 H new ATOM 0 HA GLU A 58 11.540 1.222 6.901 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.135 -0.056 5.173 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.642 -0.722 4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.766 1.718 4.415 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.411 2.229 4.735 1.00 0.00 H new ATOM 935 N LEU A 59 9.525 -1.285 6.626 1.00 0.00 N ATOM 936 CA LEU A 59 8.069 -1.620 6.568 1.00 0.00 C ATOM 937 C LEU A 59 7.263 -0.656 7.447 1.00 0.00 C ATOM 938 O LEU A 59 6.321 -0.032 6.999 1.00 0.00 O ATOM 939 CB LEU A 59 7.969 -3.047 7.106 1.00 0.00 C ATOM 940 CG LEU A 59 6.570 -3.601 6.834 1.00 0.00 C ATOM 941 CD1 LEU A 59 6.662 -5.095 6.509 1.00 0.00 C ATOM 942 CD2 LEU A 59 5.693 -3.403 8.072 1.00 0.00 C ATOM 0 H LEU A 59 10.141 -2.067 6.848 1.00 0.00 H new ATOM 0 HA LEU A 59 7.668 -1.535 5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.720 -3.679 6.631 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.174 -3.058 8.177 1.00 0.00 H new ATOM 0 HG LEU A 59 6.131 -3.073 5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.664 -5.487 6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.285 -5.238 5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.103 -5.625 7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.696 -3.798 7.878 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.134 -3.930 8.918 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.624 -2.340 8.303 1.00 0.00 H new ATOM 954 N LEU A 60 7.629 -0.532 8.695 1.00 0.00 N ATOM 955 CA LEU A 60 6.889 0.396 9.603 1.00 0.00 C ATOM 956 C LEU A 60 6.964 1.826 9.065 1.00 0.00 C ATOM 957 O LEU A 60 5.999 2.567 9.105 1.00 0.00 O ATOM 958 CB LEU A 60 7.606 0.292 10.950 1.00 0.00 C ATOM 959 CG LEU A 60 6.685 0.806 12.058 1.00 0.00 C ATOM 960 CD1 LEU A 60 5.777 -0.327 12.535 1.00 0.00 C ATOM 961 CD2 LEU A 60 7.534 1.305 13.231 1.00 0.00 C ATOM 0 H LEU A 60 8.407 -1.032 9.126 1.00 0.00 H new ATOM 0 HA LEU A 60 5.833 0.140 9.685 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.886 -0.743 11.146 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.528 0.873 10.929 1.00 0.00 H new ATOM 0 HG LEU A 60 6.074 1.623 11.674 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.121 0.040 13.324 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.175 -0.686 11.701 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.387 -1.144 12.921 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.881 1.672 14.023 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.143 0.486 13.614 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.183 2.113 12.893 1.00 0.00 H new ATOM 973 N ALA A 61 8.102 2.220 8.558 1.00 0.00 N ATOM 974 CA ALA A 61 8.246 3.603 8.010 1.00 0.00 C ATOM 975 C ALA A 61 7.175 3.865 6.948 1.00 0.00 C ATOM 976 O ALA A 61 6.707 4.975 6.784 1.00 0.00 O ATOM 977 CB ALA A 61 9.641 3.642 7.389 1.00 0.00 C ATOM 0 H ALA A 61 8.941 1.643 8.499 1.00 0.00 H new ATOM 0 HA ALA A 61 8.123 4.366 8.778 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.822 4.629 6.964 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.387 3.435 8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.711 2.890 6.603 1.00 0.00 H new ATOM 983 N LYS A 62 6.783 2.848 6.224 1.00 0.00 N ATOM 984 CA LYS A 62 5.744 3.036 5.172 1.00 0.00 C ATOM 985 C LYS A 62 4.442 3.538 5.801 1.00 0.00 C ATOM 986 O LYS A 62 3.774 4.398 5.262 1.00 0.00 O ATOM 987 CB LYS A 62 5.539 1.649 4.556 1.00 0.00 C ATOM 988 CG LYS A 62 4.707 1.772 3.275 1.00 0.00 C ATOM 989 CD LYS A 62 3.304 1.207 3.515 1.00 0.00 C ATOM 990 CE LYS A 62 3.227 -0.224 2.977 1.00 0.00 C ATOM 991 NZ LYS A 62 1.771 -0.524 2.889 1.00 0.00 N ATOM 0 H LYS A 62 7.138 1.896 6.317 1.00 0.00 H new ATOM 0 HA LYS A 62 6.044 3.771 4.426 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.504 1.193 4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.035 0.995 5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.642 2.817 2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.192 1.233 2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.074 1.218 4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.560 1.832 3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.707 -0.305 2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.735 -0.923 3.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.637 -1.490 2.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.343 -0.445 3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.315 0.153 2.245 1.00 0.00 H new ATOM 1005 N ALA A 63 4.079 3.011 6.942 1.00 0.00 N ATOM 1006 CA ALA A 63 2.819 3.457 7.613 1.00 0.00 C ATOM 1007 C ALA A 63 2.812 4.976 7.792 1.00 0.00 C ATOM 1008 O ALA A 63 1.783 5.619 7.701 1.00 0.00 O ATOM 1009 CB ALA A 63 2.834 2.766 8.978 1.00 0.00 C ATOM 0 H ALA A 63 4.601 2.290 7.440 1.00 0.00 H new ATOM 0 HA ALA A 63 1.935 3.203 7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.939 3.042 9.536 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.855 1.685 8.838 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.718 3.078 9.534 1.00 0.00 H new ATOM 1015 N LEU A 64 3.950 5.552 8.059 1.00 0.00 N ATOM 1016 CA LEU A 64 4.019 7.030 8.253 1.00 0.00 C ATOM 1017 C LEU A 64 3.970 7.765 6.906 1.00 0.00 C ATOM 1018 O LEU A 64 3.007 8.433 6.582 1.00 0.00 O ATOM 1019 CB LEU A 64 5.364 7.278 8.945 1.00 0.00 C ATOM 1020 CG LEU A 64 5.247 6.997 10.450 1.00 0.00 C ATOM 1021 CD1 LEU A 64 4.193 7.919 11.069 1.00 0.00 C ATOM 1022 CD2 LEU A 64 4.842 5.537 10.676 1.00 0.00 C ATOM 0 H LEU A 64 4.840 5.062 8.152 1.00 0.00 H new ATOM 0 HA LEU A 64 3.177 7.399 8.839 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.130 6.638 8.507 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.679 8.309 8.784 1.00 0.00 H new ATOM 0 HG LEU A 64 6.212 7.182 10.922 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.114 7.716 12.137 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.485 8.958 10.918 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.229 7.740 10.593 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.761 5.343 11.746 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.880 5.348 10.199 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.597 4.879 10.245 1.00 0.00 H new ATOM 1034 N GLU A 65 5.020 7.665 6.139 1.00 0.00 N ATOM 1035 CA GLU A 65 5.083 8.372 4.822 1.00 0.00 C ATOM 1036 C GLU A 65 3.861 8.078 3.939 1.00 0.00 C ATOM 1037 O GLU A 65 3.446 8.915 3.162 1.00 0.00 O ATOM 1038 CB GLU A 65 6.354 7.847 4.156 1.00 0.00 C ATOM 1039 CG GLU A 65 6.760 8.782 3.015 1.00 0.00 C ATOM 1040 CD GLU A 65 5.906 8.479 1.782 1.00 0.00 C ATOM 1041 OE1 GLU A 65 5.672 7.310 1.520 1.00 0.00 O ATOM 1042 OE2 GLU A 65 5.504 9.421 1.119 1.00 0.00 O ATOM 0 H GLU A 65 5.849 7.117 6.369 1.00 0.00 H new ATOM 0 HA GLU A 65 5.089 9.453 4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.159 7.779 4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.187 6.840 3.773 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.627 9.821 3.317 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.816 8.651 2.781 1.00 0.00 H new ATOM 1049 N THR A 66 3.290 6.902 4.025 1.00 0.00 N ATOM 1050 CA THR A 66 2.112 6.593 3.154 1.00 0.00 C ATOM 1051 C THR A 66 1.023 7.667 3.312 1.00 0.00 C ATOM 1052 O THR A 66 0.581 8.248 2.341 1.00 0.00 O ATOM 1053 CB THR A 66 1.609 5.213 3.598 1.00 0.00 C ATOM 1054 OG1 THR A 66 0.464 4.863 2.833 1.00 0.00 O ATOM 1055 CG2 THR A 66 1.243 5.233 5.080 1.00 0.00 C ATOM 0 H THR A 66 3.583 6.152 4.651 1.00 0.00 H new ATOM 0 HA THR A 66 2.382 6.587 2.098 1.00 0.00 H new ATOM 0 HB THR A 66 2.400 4.479 3.441 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.141 3.981 3.113 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.888 4.247 5.380 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.122 5.497 5.668 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.458 5.969 5.251 1.00 0.00 H new ATOM 1063 N LEU A 67 0.594 7.944 4.518 1.00 0.00 N ATOM 1064 CA LEU A 67 -0.453 8.990 4.708 1.00 0.00 C ATOM 1065 C LEU A 67 0.184 10.291 5.201 1.00 0.00 C ATOM 1066 O LEU A 67 -0.021 11.349 4.639 1.00 0.00 O ATOM 1067 CB LEU A 67 -1.396 8.418 5.766 1.00 0.00 C ATOM 1068 CG LEU A 67 -2.179 7.247 5.174 1.00 0.00 C ATOM 1069 CD1 LEU A 67 -2.449 6.208 6.265 1.00 0.00 C ATOM 1070 CD2 LEU A 67 -3.511 7.755 4.617 1.00 0.00 C ATOM 0 H LEU A 67 0.922 7.494 5.373 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.976 9.225 3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.827 8.086 6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.083 9.191 6.112 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.598 6.791 4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.008 5.373 5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.502 5.846 6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.030 6.664 7.066 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.071 6.921 4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.091 8.211 5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.322 8.496 3.840 1.00 0.00 H new ATOM 1082 N LEU A 68 0.960 10.216 6.250 1.00 0.00 N ATOM 1083 CA LEU A 68 1.620 11.441 6.788 1.00 0.00 C ATOM 1084 C LEU A 68 2.990 11.091 7.380 1.00 0.00 C ATOM 1085 O LEU A 68 3.102 10.240 8.241 1.00 0.00 O ATOM 1086 CB LEU A 68 0.678 11.953 7.879 1.00 0.00 C ATOM 1087 CG LEU A 68 -0.475 12.729 7.239 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -1.461 13.167 8.323 1.00 0.00 C ATOM 1089 CD2 LEU A 68 0.078 13.963 6.523 1.00 0.00 C ATOM 0 H LEU A 68 1.166 9.356 6.759 1.00 0.00 H new ATOM 0 HA LEU A 68 1.792 12.189 6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.289 11.117 8.459 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.222 12.596 8.571 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.988 12.090 6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.282 13.720 7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.855 12.288 8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.950 13.806 9.043 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.742 14.517 6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.591 14.601 7.242 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.780 13.651 5.750 1.00 0.00 H new ATOM 1101 N LEU A 69 4.027 11.743 6.930 1.00 0.00 N ATOM 1102 CA LEU A 69 5.385 11.446 7.477 1.00 0.00 C ATOM 1103 C LEU A 69 5.622 12.247 8.762 1.00 0.00 C ATOM 1104 O LEU A 69 5.457 13.451 8.792 1.00 0.00 O ATOM 1105 CB LEU A 69 6.363 11.880 6.379 1.00 0.00 C ATOM 1106 CG LEU A 69 6.249 13.391 6.144 1.00 0.00 C ATOM 1107 CD1 LEU A 69 7.435 14.103 6.799 1.00 0.00 C ATOM 1108 CD2 LEU A 69 6.255 13.676 4.641 1.00 0.00 C ATOM 0 H LEU A 69 3.995 12.465 6.211 1.00 0.00 H new ATOM 0 HA LEU A 69 5.507 10.393 7.733 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.383 11.624 6.667 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.148 11.343 5.455 1.00 0.00 H new ATOM 0 HG LEU A 69 5.319 13.755 6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.353 15.177 6.631 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.434 13.902 7.870 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.365 13.738 6.363 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.174 14.750 4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.185 13.310 4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.411 13.171 4.172 1.00 0.00 H new ATOM 1120 N ASN A 70 6.001 11.589 9.824 1.00 0.00 N ATOM 1121 CA ASN A 70 6.243 12.313 11.106 1.00 0.00 C ATOM 1122 C ASN A 70 7.483 11.753 11.808 1.00 0.00 C ATOM 1123 O ASN A 70 7.873 10.620 11.593 1.00 0.00 O ATOM 1124 CB ASN A 70 4.990 12.061 11.945 1.00 0.00 C ATOM 1125 CG ASN A 70 4.833 13.181 12.977 1.00 0.00 C ATOM 1126 OD1 ASN A 70 4.970 12.954 14.162 1.00 0.00 O ATOM 1127 ND2 ASN A 70 4.547 14.389 12.572 1.00 0.00 N ATOM 0 H ASN A 70 6.154 10.581 9.860 1.00 0.00 H new ATOM 0 HA ASN A 70 6.423 13.377 10.951 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.111 12.019 11.302 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.064 11.097 12.448 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.439 15.142 13.251 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.432 14.579 11.577 1.00 0.00 H new ATOM 1134 N GLY A 71 8.107 12.541 12.640 1.00 0.00 N ATOM 1135 CA GLY A 71 9.327 12.065 13.357 1.00 0.00 C ATOM 1136 C GLY A 71 8.942 11.001 14.387 1.00 0.00 C ATOM 1137 O GLY A 71 9.599 9.987 14.518 1.00 0.00 O ATOM 0 H GLY A 71 7.825 13.497 12.856 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.041 11.652 12.644 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.819 12.902 13.852 1.00 0.00 H new ATOM 1141 N VAL A 72 7.887 11.223 15.124 1.00 0.00 N ATOM 1142 CA VAL A 72 7.464 10.221 16.148 1.00 0.00 C ATOM 1143 C VAL A 72 5.953 9.990 16.071 1.00 0.00 C ATOM 1144 O VAL A 72 5.171 10.921 16.086 1.00 0.00 O ATOM 1145 CB VAL A 72 7.841 10.840 17.497 1.00 0.00 C ATOM 1146 CG1 VAL A 72 7.553 9.837 18.616 1.00 0.00 C ATOM 1147 CG2 VAL A 72 9.333 11.189 17.502 1.00 0.00 C ATOM 0 H VAL A 72 7.299 12.054 15.062 1.00 0.00 H new ATOM 0 HA VAL A 72 7.943 9.254 15.996 1.00 0.00 H new ATOM 0 HB VAL A 72 7.254 11.745 17.656 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.821 10.277 19.577 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.492 9.586 18.615 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.140 8.933 18.454 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.600 11.630 18.462 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.919 10.284 17.342 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.542 11.902 16.705 1.00 0.00 H new ATOM 1157 N LEU A 73 5.539 8.756 15.981 1.00 0.00 N ATOM 1158 CA LEU A 73 4.080 8.459 15.896 1.00 0.00 C ATOM 1159 C LEU A 73 3.762 7.153 16.635 1.00 0.00 C ATOM 1160 O LEU A 73 4.509 6.196 16.571 1.00 0.00 O ATOM 1161 CB LEU A 73 3.799 8.319 14.396 1.00 0.00 C ATOM 1162 CG LEU A 73 2.302 8.491 14.107 1.00 0.00 C ATOM 1163 CD1 LEU A 73 1.518 7.329 14.724 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.800 9.813 14.695 1.00 0.00 C ATOM 0 H LEU A 73 6.149 7.939 15.963 1.00 0.00 H new ATOM 0 HA LEU A 73 3.467 9.235 16.355 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.369 9.065 13.843 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.132 7.341 14.048 1.00 0.00 H new ATOM 0 HG LEU A 73 2.151 8.499 13.027 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.456 7.456 14.516 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.862 6.389 14.294 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.677 7.314 15.802 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.736 9.925 14.484 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.958 9.815 15.773 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.348 10.642 14.247 1.00 0.00 H new ATOM 1176 N THR A 74 2.658 7.111 17.334 1.00 0.00 N ATOM 1177 CA THR A 74 2.288 5.871 18.078 1.00 0.00 C ATOM 1178 C THR A 74 1.457 4.942 17.187 1.00 0.00 C ATOM 1179 O THR A 74 0.629 5.387 16.412 1.00 0.00 O ATOM 1180 CB THR A 74 1.458 6.359 19.267 1.00 0.00 C ATOM 1181 OG1 THR A 74 0.386 7.163 18.795 1.00 0.00 O ATOM 1182 CG2 THR A 74 2.342 7.181 20.206 1.00 0.00 C ATOM 0 H THR A 74 1.996 7.882 17.422 1.00 0.00 H new ATOM 0 HA THR A 74 3.163 5.303 18.395 1.00 0.00 H new ATOM 0 HB THR A 74 1.058 5.502 19.808 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.148 7.475 19.555 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.750 7.528 21.053 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.163 6.562 20.567 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.744 8.040 19.668 1.00 0.00 H new ATOM 1190 N LEU A 75 1.669 3.656 17.293 1.00 0.00 N ATOM 1191 CA LEU A 75 0.894 2.694 16.456 1.00 0.00 C ATOM 1192 C LEU A 75 -0.162 1.990 17.309 1.00 0.00 C ATOM 1193 O LEU A 75 0.158 1.259 18.227 1.00 0.00 O ATOM 1194 CB LEU A 75 1.928 1.684 15.954 1.00 0.00 C ATOM 1195 CG LEU A 75 2.811 2.334 14.886 1.00 0.00 C ATOM 1196 CD1 LEU A 75 4.265 1.914 15.102 1.00 0.00 C ATOM 1197 CD2 LEU A 75 2.350 1.877 13.499 1.00 0.00 C ATOM 0 H LEU A 75 2.347 3.230 17.925 1.00 0.00 H new ATOM 0 HA LEU A 75 0.371 3.187 15.637 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.542 1.335 16.784 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.425 0.810 15.541 1.00 0.00 H new ATOM 0 HG LEU A 75 2.731 3.419 14.958 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.894 2.377 14.342 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.594 2.236 16.090 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.345 0.829 15.028 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.977 2.339 12.737 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.431 0.792 13.428 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.313 2.174 13.344 1.00 0.00 H new ATOM 1209 N VAL A 76 -1.417 2.200 17.016 1.00 0.00 N ATOM 1210 CA VAL A 76 -2.491 1.539 17.815 1.00 0.00 C ATOM 1211 C VAL A 76 -3.515 0.879 16.888 1.00 0.00 C ATOM 1212 O VAL A 76 -3.641 1.236 15.733 1.00 0.00 O ATOM 1213 CB VAL A 76 -3.148 2.662 18.623 1.00 0.00 C ATOM 1214 CG1 VAL A 76 -2.141 3.236 19.624 1.00 0.00 C ATOM 1215 CG2 VAL A 76 -3.618 3.768 17.676 1.00 0.00 C ATOM 0 H VAL A 76 -1.746 2.800 16.259 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.093 0.756 18.460 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.005 2.261 19.165 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.612 4.035 20.197 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.813 2.448 20.302 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.280 3.634 19.087 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.085 4.566 18.252 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.763 4.167 17.130 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.341 3.359 16.970 1.00 0.00 H new ATOM 1225 N LEU A 77 -4.247 -0.078 17.390 1.00 0.00 N ATOM 1226 CA LEU A 77 -5.267 -0.765 16.547 1.00 0.00 C ATOM 1227 C LEU A 77 -6.643 -0.682 17.220 1.00 0.00 C ATOM 1228 O LEU A 77 -6.743 -0.563 18.426 1.00 0.00 O ATOM 1229 CB LEU A 77 -4.794 -2.217 16.456 1.00 0.00 C ATOM 1230 CG LEU A 77 -4.727 -2.832 17.859 1.00 0.00 C ATOM 1231 CD1 LEU A 77 -5.683 -4.023 17.941 1.00 0.00 C ATOM 1232 CD2 LEU A 77 -3.300 -3.308 18.143 1.00 0.00 C ATOM 0 H LEU A 77 -4.182 -0.415 18.351 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.368 -0.312 15.561 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.476 -2.792 15.829 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.813 -2.260 15.983 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.014 -2.082 18.596 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.635 -4.460 18.938 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.700 -3.687 17.740 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.396 -4.772 17.203 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.254 -3.745 19.141 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.013 -4.057 17.405 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.616 -2.461 18.086 1.00 0.00 H new ATOM 1244 N GLU A 78 -7.699 -0.741 16.455 1.00 0.00 N ATOM 1245 CA GLU A 78 -9.064 -0.662 17.057 1.00 0.00 C ATOM 1246 C GLU A 78 -9.677 -2.058 17.196 1.00 0.00 C ATOM 1247 O GLU A 78 -10.611 -2.262 17.949 1.00 0.00 O ATOM 1248 CB GLU A 78 -9.882 0.186 16.081 1.00 0.00 C ATOM 1249 CG GLU A 78 -11.138 0.703 16.786 1.00 0.00 C ATOM 1250 CD GLU A 78 -12.168 1.136 15.742 1.00 0.00 C ATOM 1251 OE1 GLU A 78 -12.697 0.268 15.067 1.00 0.00 O ATOM 1252 OE2 GLU A 78 -12.413 2.327 15.638 1.00 0.00 O ATOM 0 H GLU A 78 -7.677 -0.840 15.440 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.042 -0.230 18.057 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.284 1.023 15.720 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -10.159 -0.408 15.210 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.556 -0.076 17.424 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.885 1.543 17.433 1.00 0.00 H new ATOM 1259 N GLU A 79 -9.167 -3.024 16.476 1.00 0.00 N ATOM 1260 CA GLU A 79 -9.731 -4.405 16.567 1.00 0.00 C ATOM 1261 C GLU A 79 -9.722 -4.893 18.024 1.00 0.00 C ATOM 1262 O GLU A 79 -10.737 -4.884 18.693 1.00 0.00 O ATOM 1263 CB GLU A 79 -8.815 -5.266 15.695 1.00 0.00 C ATOM 1264 CG GLU A 79 -9.289 -6.721 15.729 1.00 0.00 C ATOM 1265 CD GLU A 79 -8.562 -7.523 14.647 1.00 0.00 C ATOM 1266 OE1 GLU A 79 -7.346 -7.442 14.596 1.00 0.00 O ATOM 1267 OE2 GLU A 79 -9.234 -8.202 13.890 1.00 0.00 O ATOM 0 H GLU A 79 -8.385 -2.917 15.830 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.767 -4.451 16.232 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -8.819 -4.896 14.670 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -7.788 -5.200 16.053 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.094 -7.155 16.710 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.366 -6.767 15.568 1.00 0.00 H new ATOM 1274 N ASP A 80 -8.588 -5.316 18.518 1.00 0.00 N ATOM 1275 CA ASP A 80 -8.521 -5.802 19.929 1.00 0.00 C ATOM 1276 C ASP A 80 -8.521 -4.616 20.898 1.00 0.00 C ATOM 1277 O ASP A 80 -8.969 -4.720 22.022 1.00 0.00 O ATOM 1278 CB ASP A 80 -7.204 -6.571 20.023 1.00 0.00 C ATOM 1279 CG ASP A 80 -7.251 -7.520 21.222 1.00 0.00 C ATOM 1280 OD1 ASP A 80 -7.689 -8.645 21.046 1.00 0.00 O ATOM 1281 OD2 ASP A 80 -6.848 -7.105 22.297 1.00 0.00 O ATOM 0 H ASP A 80 -7.706 -5.346 18.007 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.376 -6.426 20.191 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.034 -7.135 19.106 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.371 -5.876 20.129 1.00 0.00 H new ATOM 1286 N GLY A 81 -8.019 -3.487 20.467 1.00 0.00 N ATOM 1287 CA GLY A 81 -7.990 -2.291 21.356 1.00 0.00 C ATOM 1288 C GLY A 81 -6.700 -2.289 22.181 1.00 0.00 C ATOM 1289 O GLY A 81 -6.730 -2.358 23.393 1.00 0.00 O ATOM 0 H GLY A 81 -7.628 -3.344 19.536 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.052 -1.381 20.759 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.856 -2.298 22.018 1.00 0.00 H new ATOM 1293 N THR A 82 -5.567 -2.209 21.533 1.00 0.00 N ATOM 1294 CA THR A 82 -4.277 -2.198 22.284 1.00 0.00 C ATOM 1295 C THR A 82 -3.296 -1.209 21.645 1.00 0.00 C ATOM 1296 O THR A 82 -3.178 -1.131 20.438 1.00 0.00 O ATOM 1297 CB THR A 82 -3.742 -3.627 22.178 1.00 0.00 C ATOM 1298 OG1 THR A 82 -4.733 -4.537 22.631 1.00 0.00 O ATOM 1299 CG2 THR A 82 -2.486 -3.767 23.040 1.00 0.00 C ATOM 0 H THR A 82 -5.479 -2.151 20.518 1.00 0.00 H new ATOM 0 HA THR A 82 -4.409 -1.888 23.321 1.00 0.00 H new ATOM 0 HB THR A 82 -3.495 -3.847 21.140 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.392 -5.453 22.562 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.105 -4.785 22.965 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.726 -3.068 22.691 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.732 -3.548 24.079 1.00 0.00 H new ATOM 1307 N ALA A 83 -2.590 -0.455 22.448 1.00 0.00 N ATOM 1308 CA ALA A 83 -1.615 0.529 21.889 1.00 0.00 C ATOM 1309 C ALA A 83 -0.238 -0.123 21.735 1.00 0.00 C ATOM 1310 O ALA A 83 0.135 -0.991 22.499 1.00 0.00 O ATOM 1311 CB ALA A 83 -1.558 1.660 22.917 1.00 0.00 C ATOM 0 H ALA A 83 -2.647 -0.478 23.466 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.911 0.889 20.903 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.860 2.425 22.577 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.550 2.098 23.031 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.224 1.264 23.876 1.00 0.00 H new ATOM 1317 N VAL A 84 0.519 0.285 20.749 1.00 0.00 N ATOM 1318 CA VAL A 84 1.870 -0.319 20.550 1.00 0.00 C ATOM 1319 C VAL A 84 2.858 0.731 20.031 1.00 0.00 C ATOM 1320 O VAL A 84 2.478 1.711 19.422 1.00 0.00 O ATOM 1321 CB VAL A 84 1.670 -1.418 19.502 1.00 0.00 C ATOM 1322 CG1 VAL A 84 2.988 -2.164 19.287 1.00 0.00 C ATOM 1323 CG2 VAL A 84 0.602 -2.402 19.989 1.00 0.00 C ATOM 0 H VAL A 84 0.261 1.007 20.076 1.00 0.00 H new ATOM 0 HA VAL A 84 2.279 -0.709 21.482 1.00 0.00 H new ATOM 0 HB VAL A 84 1.348 -0.968 18.563 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.846 -2.946 18.541 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.749 -1.465 18.940 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.310 -2.613 20.227 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.460 -3.184 19.243 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.923 -2.851 20.929 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.338 -1.872 20.142 1.00 0.00 H new ATOM 1333 N ASP A 85 4.128 0.524 20.267 1.00 0.00 N ATOM 1334 CA ASP A 85 5.152 1.496 19.788 1.00 0.00 C ATOM 1335 C ASP A 85 6.429 0.752 19.381 1.00 0.00 C ATOM 1336 O ASP A 85 7.507 1.317 19.359 1.00 0.00 O ATOM 1337 CB ASP A 85 5.420 2.415 20.982 1.00 0.00 C ATOM 1338 CG ASP A 85 5.890 1.589 22.180 1.00 0.00 C ATOM 1339 OD1 ASP A 85 7.087 1.374 22.293 1.00 0.00 O ATOM 1340 OD2 ASP A 85 5.048 1.183 22.964 1.00 0.00 O ATOM 0 H ASP A 85 4.500 -0.280 20.773 1.00 0.00 H new ATOM 0 HA ASP A 85 4.817 2.056 18.915 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.177 3.155 20.720 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.514 2.963 21.240 1.00 0.00 H new ATOM 1345 N SER A 86 6.317 -0.512 19.064 1.00 0.00 N ATOM 1346 CA SER A 86 7.522 -1.295 18.663 1.00 0.00 C ATOM 1347 C SER A 86 7.153 -2.326 17.591 1.00 0.00 C ATOM 1348 O SER A 86 6.001 -2.484 17.236 1.00 0.00 O ATOM 1349 CB SER A 86 7.983 -1.993 19.942 1.00 0.00 C ATOM 1350 OG SER A 86 6.935 -2.820 20.431 1.00 0.00 O ATOM 0 H SER A 86 5.442 -1.036 19.066 1.00 0.00 H new ATOM 0 HA SER A 86 8.302 -0.663 18.239 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.871 -2.592 19.743 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.259 -1.254 20.694 1.00 0.00 H new ATOM 0 HG SER A 86 7.229 -3.270 21.250 1.00 0.00 H new ATOM 1356 N GLU A 87 8.127 -3.030 17.074 1.00 0.00 N ATOM 1357 CA GLU A 87 7.842 -4.054 16.024 1.00 0.00 C ATOM 1358 C GLU A 87 6.960 -5.179 16.585 1.00 0.00 C ATOM 1359 O GLU A 87 6.422 -5.979 15.847 1.00 0.00 O ATOM 1360 CB GLU A 87 9.215 -4.600 15.622 1.00 0.00 C ATOM 1361 CG GLU A 87 9.080 -5.442 14.349 1.00 0.00 C ATOM 1362 CD GLU A 87 9.073 -6.927 14.717 1.00 0.00 C ATOM 1363 OE1 GLU A 87 8.560 -7.254 15.775 1.00 0.00 O ATOM 1364 OE2 GLU A 87 9.583 -7.713 13.934 1.00 0.00 O ATOM 0 H GLU A 87 9.109 -2.940 17.334 1.00 0.00 H new ATOM 0 HA GLU A 87 7.303 -3.630 15.177 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.910 -3.777 15.454 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.627 -5.206 16.429 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.161 -5.182 13.824 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.906 -5.229 13.670 1.00 0.00 H new ATOM 1371 N ASP A 88 6.814 -5.248 17.883 1.00 0.00 N ATOM 1372 CA ASP A 88 5.969 -6.324 18.488 1.00 0.00 C ATOM 1373 C ASP A 88 4.498 -6.161 18.079 1.00 0.00 C ATOM 1374 O ASP A 88 3.683 -7.028 18.329 1.00 0.00 O ATOM 1375 CB ASP A 88 6.123 -6.148 20.000 1.00 0.00 C ATOM 1376 CG ASP A 88 5.532 -7.361 20.719 1.00 0.00 C ATOM 1377 OD1 ASP A 88 6.235 -8.350 20.847 1.00 0.00 O ATOM 1378 OD2 ASP A 88 4.386 -7.283 21.128 1.00 0.00 O ATOM 0 H ASP A 88 7.242 -4.607 18.551 1.00 0.00 H new ATOM 0 HA ASP A 88 6.277 -7.315 18.154 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.176 -6.037 20.258 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.618 -5.238 20.324 1.00 0.00 H new ATOM 1383 N PHE A 89 4.151 -5.059 17.459 1.00 0.00 N ATOM 1384 CA PHE A 89 2.731 -4.831 17.034 1.00 0.00 C ATOM 1385 C PHE A 89 2.127 -6.101 16.415 1.00 0.00 C ATOM 1386 O PHE A 89 1.214 -6.692 16.958 1.00 0.00 O ATOM 1387 CB PHE A 89 2.813 -3.710 15.993 1.00 0.00 C ATOM 1388 CG PHE A 89 1.458 -3.496 15.357 1.00 0.00 C ATOM 1389 CD1 PHE A 89 0.329 -3.310 16.157 1.00 0.00 C ATOM 1390 CD2 PHE A 89 1.337 -3.482 13.966 1.00 0.00 C ATOM 1391 CE1 PHE A 89 -0.928 -3.112 15.570 1.00 0.00 C ATOM 1392 CE2 PHE A 89 0.086 -3.284 13.369 1.00 0.00 C ATOM 1393 CZ PHE A 89 -1.061 -3.096 14.167 1.00 0.00 C ATOM 0 H PHE A 89 4.794 -4.302 17.227 1.00 0.00 H new ATOM 0 HA PHE A 89 2.090 -4.571 17.877 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.152 -2.788 16.465 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.547 -3.965 15.228 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.425 -3.319 17.233 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.211 -3.624 13.348 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.798 -2.971 16.195 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.001 -3.275 12.293 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.027 -2.942 13.710 1.00 0.00 H new ATOM 1403 N PHE A 90 2.627 -6.520 15.284 1.00 0.00 N ATOM 1404 CA PHE A 90 2.074 -7.744 14.630 1.00 0.00 C ATOM 1405 C PHE A 90 2.328 -8.985 15.496 1.00 0.00 C ATOM 1406 O PHE A 90 1.732 -10.025 15.290 1.00 0.00 O ATOM 1407 CB PHE A 90 2.823 -7.858 13.302 1.00 0.00 C ATOM 1408 CG PHE A 90 2.218 -6.906 12.299 1.00 0.00 C ATOM 1409 CD1 PHE A 90 0.920 -7.117 11.831 1.00 0.00 C ATOM 1410 CD2 PHE A 90 2.958 -5.817 11.835 1.00 0.00 C ATOM 1411 CE1 PHE A 90 0.355 -6.239 10.898 1.00 0.00 C ATOM 1412 CE2 PHE A 90 2.405 -4.933 10.901 1.00 0.00 C ATOM 1413 CZ PHE A 90 1.093 -5.135 10.422 1.00 0.00 C ATOM 0 H PHE A 90 3.393 -6.069 14.784 1.00 0.00 H new ATOM 0 HA PHE A 90 0.995 -7.677 14.490 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.879 -7.628 13.447 1.00 0.00 H new ATOM 0 HB3 PHE A 90 2.768 -8.880 12.928 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.349 -7.961 12.190 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.962 -5.656 12.198 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.650 -6.408 10.541 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.984 -4.094 10.546 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.661 -4.455 9.703 1.00 0.00 H new ATOM 1423 N GLN A 91 3.208 -8.890 16.458 1.00 0.00 N ATOM 1424 CA GLN A 91 3.497 -10.070 17.326 1.00 0.00 C ATOM 1425 C GLN A 91 2.565 -10.091 18.544 1.00 0.00 C ATOM 1426 O GLN A 91 2.438 -11.095 19.218 1.00 0.00 O ATOM 1427 CB GLN A 91 4.949 -9.889 17.769 1.00 0.00 C ATOM 1428 CG GLN A 91 5.453 -11.185 18.405 1.00 0.00 C ATOM 1429 CD GLN A 91 6.459 -10.855 19.510 1.00 0.00 C ATOM 1430 OE1 GLN A 91 6.255 -11.199 20.656 1.00 0.00 O ATOM 1431 NE2 GLN A 91 7.545 -10.197 19.209 1.00 0.00 N ATOM 0 H GLN A 91 3.739 -8.048 16.680 1.00 0.00 H new ATOM 0 HA GLN A 91 3.341 -11.011 16.798 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.571 -9.625 16.914 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.023 -9.068 18.483 1.00 0.00 H new ATOM 0 HG2 GLN A 91 4.616 -11.749 18.817 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.921 -11.815 17.649 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.716 -9.908 18.246 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.223 -9.972 19.937 1.00 0.00 H new ATOM 1440 N LEU A 92 1.914 -8.995 18.834 1.00 0.00 N ATOM 1441 CA LEU A 92 0.996 -8.961 20.011 1.00 0.00 C ATOM 1442 C LEU A 92 -0.416 -9.404 19.608 1.00 0.00 C ATOM 1443 O LEU A 92 -1.234 -9.732 20.445 1.00 0.00 O ATOM 1444 CB LEU A 92 0.991 -7.499 20.463 1.00 0.00 C ATOM 1445 CG LEU A 92 0.283 -7.378 21.813 1.00 0.00 C ATOM 1446 CD1 LEU A 92 0.956 -6.285 22.647 1.00 0.00 C ATOM 1447 CD2 LEU A 92 -1.186 -7.009 21.589 1.00 0.00 C ATOM 0 H LEU A 92 1.978 -8.123 18.308 1.00 0.00 H new ATOM 0 HA LEU A 92 1.320 -9.636 20.803 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.013 -7.130 20.544 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.487 -6.881 19.720 1.00 0.00 H new ATOM 0 HG LEU A 92 0.345 -8.330 22.340 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.451 -6.199 23.609 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.003 -6.543 22.808 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.894 -5.334 22.118 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.690 -6.923 22.551 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.246 -6.057 21.062 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.669 -7.784 20.994 1.00 0.00 H new ATOM 1459 N LEU A 93 -0.711 -9.416 18.333 1.00 0.00 N ATOM 1460 CA LEU A 93 -2.073 -9.837 17.885 1.00 0.00 C ATOM 1461 C LEU A 93 -1.979 -11.038 16.940 1.00 0.00 C ATOM 1462 O LEU A 93 -0.925 -11.354 16.425 1.00 0.00 O ATOM 1463 CB LEU A 93 -2.637 -8.620 17.144 1.00 0.00 C ATOM 1464 CG LEU A 93 -2.727 -7.428 18.101 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -1.486 -6.551 17.943 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -3.975 -6.604 17.771 1.00 0.00 C ATOM 0 H LEU A 93 -0.070 -9.153 17.585 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.704 -10.141 18.720 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.999 -8.371 16.296 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.624 -8.852 16.743 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.788 -7.791 19.127 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.551 -5.703 18.624 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.596 -7.135 18.175 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.425 -6.188 16.917 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.041 -5.755 18.451 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.911 -6.243 16.745 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.862 -7.227 17.882 1.00 0.00 H new ATOM 1478 N GLU A 94 -3.081 -11.704 16.700 1.00 0.00 N ATOM 1479 CA GLU A 94 -3.059 -12.879 15.778 1.00 0.00 C ATOM 1480 C GLU A 94 -2.702 -12.411 14.365 1.00 0.00 C ATOM 1481 O GLU A 94 -2.558 -11.231 14.119 1.00 0.00 O ATOM 1482 CB GLU A 94 -4.480 -13.449 15.817 1.00 0.00 C ATOM 1483 CG GLU A 94 -5.489 -12.367 15.411 1.00 0.00 C ATOM 1484 CD GLU A 94 -6.450 -12.098 16.571 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -5.980 -11.991 17.691 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -7.640 -12.006 16.318 1.00 0.00 O ATOM 0 H GLU A 94 -3.992 -11.485 17.102 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.322 -13.627 16.069 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.557 -14.302 15.143 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.708 -13.813 16.819 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.965 -11.450 15.140 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.046 -12.688 14.531 1.00 0.00 H new ATOM 1493 N ASP A 95 -2.548 -13.319 13.435 1.00 0.00 N ATOM 1494 CA ASP A 95 -2.193 -12.888 12.052 1.00 0.00 C ATOM 1495 C ASP A 95 -3.305 -12.010 11.475 1.00 0.00 C ATOM 1496 O ASP A 95 -4.443 -12.419 11.359 1.00 0.00 O ATOM 1497 CB ASP A 95 -2.059 -14.183 11.250 1.00 0.00 C ATOM 1498 CG ASP A 95 -1.679 -13.856 9.804 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -0.813 -13.017 9.615 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -2.257 -14.451 8.910 1.00 0.00 O ATOM 0 H ASP A 95 -2.651 -14.325 13.571 1.00 0.00 H new ATOM 0 HA ASP A 95 -1.275 -12.300 12.025 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.301 -14.824 11.700 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -2.998 -14.736 11.273 1.00 0.00 H new ATOM 1505 N ASP A 96 -2.974 -10.804 11.107 1.00 0.00 N ATOM 1506 CA ASP A 96 -3.986 -9.877 10.527 1.00 0.00 C ATOM 1507 C ASP A 96 -3.277 -8.663 9.929 1.00 0.00 C ATOM 1508 O ASP A 96 -2.077 -8.515 10.062 1.00 0.00 O ATOM 1509 CB ASP A 96 -4.882 -9.463 11.701 1.00 0.00 C ATOM 1510 CG ASP A 96 -4.035 -8.825 12.804 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -3.340 -7.864 12.514 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -4.096 -9.306 13.923 1.00 0.00 O ATOM 0 H ASP A 96 -2.034 -10.416 11.184 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.570 -10.339 9.730 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.641 -8.759 11.360 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.408 -10.333 12.092 1.00 0.00 H new ATOM 1517 N THR A 97 -3.997 -7.782 9.288 1.00 0.00 N ATOM 1518 CA THR A 97 -3.335 -6.580 8.714 1.00 0.00 C ATOM 1519 C THR A 97 -4.110 -5.316 9.084 1.00 0.00 C ATOM 1520 O THR A 97 -5.124 -4.999 8.491 1.00 0.00 O ATOM 1521 CB THR A 97 -3.348 -6.795 7.202 1.00 0.00 C ATOM 1522 OG1 THR A 97 -2.998 -8.142 6.913 1.00 0.00 O ATOM 1523 CG2 THR A 97 -2.338 -5.850 6.549 1.00 0.00 C ATOM 0 H THR A 97 -5.004 -7.843 9.139 1.00 0.00 H new ATOM 0 HA THR A 97 -2.322 -6.452 9.096 1.00 0.00 H new ATOM 0 HB THR A 97 -4.344 -6.589 6.810 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.008 -8.282 5.943 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.344 -6.000 5.469 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.608 -4.818 6.773 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.341 -6.057 6.938 1.00 0.00 H new ATOM 1531 N CYS A 98 -3.624 -4.583 10.047 1.00 0.00 N ATOM 1532 CA CYS A 98 -4.304 -3.322 10.451 1.00 0.00 C ATOM 1533 C CYS A 98 -3.248 -2.269 10.783 1.00 0.00 C ATOM 1534 O CYS A 98 -2.300 -2.539 11.496 1.00 0.00 O ATOM 1535 CB CYS A 98 -5.116 -3.684 11.694 1.00 0.00 C ATOM 1536 SG CYS A 98 -6.403 -2.438 11.959 1.00 0.00 S ATOM 0 H CYS A 98 -2.780 -4.805 10.574 1.00 0.00 H new ATOM 0 HA CYS A 98 -4.941 -2.914 9.666 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -5.568 -4.669 11.572 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.463 -3.738 12.565 1.00 0.00 H new ATOM 0 HG CYS A 98 -7.095 -2.747 13.015 1.00 0.00 H new ATOM 1542 N LEU A 99 -3.393 -1.076 10.278 1.00 0.00 N ATOM 1543 CA LEU A 99 -2.380 -0.025 10.577 1.00 0.00 C ATOM 1544 C LEU A 99 -3.047 1.338 10.763 1.00 0.00 C ATOM 1545 O LEU A 99 -3.627 1.887 9.847 1.00 0.00 O ATOM 1546 CB LEU A 99 -1.455 -0.009 9.360 1.00 0.00 C ATOM 1547 CG LEU A 99 -0.233 0.861 9.660 1.00 0.00 C ATOM 1548 CD1 LEU A 99 1.030 0.167 9.142 1.00 0.00 C ATOM 1549 CD2 LEU A 99 -0.390 2.219 8.967 1.00 0.00 C ATOM 0 H LEU A 99 -4.163 -0.784 9.676 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.840 -0.233 11.501 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.141 -1.024 9.115 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.986 0.379 8.491 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.150 1.009 10.737 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.900 0.788 9.356 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.143 -0.799 9.635 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.947 0.017 8.066 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.481 2.839 9.181 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.475 2.071 7.890 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.288 2.714 9.336 1.00 0.00 H new ATOM 1561 N MET A 100 -2.950 1.895 11.938 1.00 0.00 N ATOM 1562 CA MET A 100 -3.556 3.233 12.179 1.00 0.00 C ATOM 1563 C MET A 100 -2.478 4.192 12.685 1.00 0.00 C ATOM 1564 O MET A 100 -1.698 3.857 13.557 1.00 0.00 O ATOM 1565 CB MET A 100 -4.626 3.004 13.246 1.00 0.00 C ATOM 1566 CG MET A 100 -5.633 4.155 13.210 1.00 0.00 C ATOM 1567 SD MET A 100 -6.591 4.173 14.748 1.00 0.00 S ATOM 1568 CE MET A 100 -7.250 2.493 14.628 1.00 0.00 C ATOM 0 H MET A 100 -2.477 1.481 12.741 1.00 0.00 H new ATOM 0 HA MET A 100 -3.984 3.671 11.278 1.00 0.00 H new ATOM 0 HB2 MET A 100 -5.134 2.056 13.070 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.165 2.940 14.232 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.112 5.104 13.083 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.300 4.041 12.356 1.00 0.00 H new ATOM 0 HE1 MET A 100 -8.295 2.489 14.938 1.00 0.00 H new ATOM 0 HE2 MET A 100 -7.176 2.146 13.597 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.677 1.830 15.276 1.00 0.00 H new ATOM 1578 N VAL A 101 -2.420 5.380 12.144 1.00 0.00 N ATOM 1579 CA VAL A 101 -1.383 6.351 12.595 1.00 0.00 C ATOM 1580 C VAL A 101 -2.053 7.565 13.244 1.00 0.00 C ATOM 1581 O VAL A 101 -2.733 8.336 12.594 1.00 0.00 O ATOM 1582 CB VAL A 101 -0.645 6.746 11.309 1.00 0.00 C ATOM 1583 CG1 VAL A 101 0.283 7.940 11.568 1.00 0.00 C ATOM 1584 CG2 VAL A 101 0.184 5.555 10.820 1.00 0.00 C ATOM 0 H VAL A 101 -3.044 5.718 11.412 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.705 5.936 13.340 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.377 7.029 10.552 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.799 8.207 10.645 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.305 8.790 11.914 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.016 7.673 12.329 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.711 5.829 9.906 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.907 5.276 11.586 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.475 4.711 10.619 1.00 0.00 H new ATOM 1594 N LEU A 102 -1.861 7.740 14.524 1.00 0.00 N ATOM 1595 CA LEU A 102 -2.479 8.905 15.221 1.00 0.00 C ATOM 1596 C LEU A 102 -1.570 9.395 16.352 1.00 0.00 C ATOM 1597 O LEU A 102 -0.560 8.789 16.654 1.00 0.00 O ATOM 1598 CB LEU A 102 -3.813 8.392 15.777 1.00 0.00 C ATOM 1599 CG LEU A 102 -3.602 7.085 16.546 1.00 0.00 C ATOM 1600 CD1 LEU A 102 -4.696 6.935 17.603 1.00 0.00 C ATOM 1601 CD2 LEU A 102 -3.667 5.901 15.573 1.00 0.00 C ATOM 0 H LEU A 102 -1.303 7.126 15.117 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.626 9.750 14.548 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.253 9.142 16.435 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.517 8.232 14.961 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.626 7.103 17.031 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.547 6.005 18.151 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.651 7.776 18.295 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.672 6.917 17.117 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.517 4.971 16.121 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -4.643 5.882 15.087 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.888 6.007 14.818 1.00 0.00 H new ATOM 1613 N GLN A 103 -1.921 10.488 16.977 1.00 0.00 N ATOM 1614 CA GLN A 103 -1.080 11.019 18.090 1.00 0.00 C ATOM 1615 C GLN A 103 -1.419 10.301 19.399 1.00 0.00 C ATOM 1616 O GLN A 103 -2.331 9.501 19.459 1.00 0.00 O ATOM 1617 CB GLN A 103 -1.438 12.503 18.183 1.00 0.00 C ATOM 1618 CG GLN A 103 -0.326 13.254 18.919 1.00 0.00 C ATOM 1619 CD GLN A 103 -0.409 14.746 18.595 1.00 0.00 C ATOM 1620 OE1 GLN A 103 -1.096 15.145 17.676 1.00 0.00 O ATOM 1621 NE2 GLN A 103 0.270 15.595 19.317 1.00 0.00 N ATOM 0 H GLN A 103 -2.754 11.036 16.765 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.015 10.867 17.912 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -1.572 12.918 17.184 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -2.384 12.627 18.709 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.420 13.100 19.994 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.647 12.862 18.624 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.847 15.261 20.089 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.224 16.593 19.109 1.00 0.00 H new ATOM 1630 N SER A 104 -0.694 10.586 20.448 1.00 0.00 N ATOM 1631 CA SER A 104 -0.973 9.921 21.757 1.00 0.00 C ATOM 1632 C SER A 104 -2.426 10.161 22.175 1.00 0.00 C ATOM 1633 O SER A 104 -3.033 11.147 21.804 1.00 0.00 O ATOM 1634 CB SER A 104 -0.014 10.580 22.750 1.00 0.00 C ATOM 1635 OG SER A 104 -0.279 11.976 22.801 1.00 0.00 O ATOM 0 H SER A 104 0.080 11.251 20.456 1.00 0.00 H new ATOM 0 HA SER A 104 -0.831 8.841 21.709 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.136 10.138 23.739 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.018 10.405 22.448 1.00 0.00 H new ATOM 0 HG SER A 104 0.332 12.402 23.438 1.00 0.00 H new ATOM 1641 N GLY A 105 -2.988 9.265 22.942 1.00 0.00 N ATOM 1642 CA GLY A 105 -4.402 9.439 23.384 1.00 0.00 C ATOM 1643 C GLY A 105 -5.341 8.862 22.325 1.00 0.00 C ATOM 1644 O GLY A 105 -5.742 9.541 21.398 1.00 0.00 O ATOM 0 H GLY A 105 -2.529 8.420 23.282 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.560 8.937 24.338 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.618 10.496 23.540 1.00 0.00 H new ATOM 1648 N GLN A 106 -5.694 7.610 22.450 1.00 0.00 N ATOM 1649 CA GLN A 106 -6.606 6.983 21.448 1.00 0.00 C ATOM 1650 C GLN A 106 -7.885 6.490 22.129 1.00 0.00 C ATOM 1651 O GLN A 106 -7.889 6.152 23.297 1.00 0.00 O ATOM 1652 CB GLN A 106 -5.818 5.804 20.879 1.00 0.00 C ATOM 1653 CG GLN A 106 -6.632 5.132 19.773 1.00 0.00 C ATOM 1654 CD GLN A 106 -6.122 3.707 19.556 1.00 0.00 C ATOM 1655 OE1 GLN A 106 -5.565 3.106 20.454 1.00 0.00 O ATOM 1656 NE2 GLN A 106 -6.292 3.134 18.395 1.00 0.00 N ATOM 0 H GLN A 106 -5.390 6.994 23.204 1.00 0.00 H new ATOM 0 HA GLN A 106 -6.910 7.686 20.672 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.863 6.149 20.484 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.596 5.086 21.669 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -7.688 5.114 20.044 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.550 5.703 18.848 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.759 3.638 17.641 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.958 2.183 18.242 1.00 0.00 H new ATOM 1665 N SER A 107 -8.971 6.445 21.404 1.00 0.00 N ATOM 1666 CA SER A 107 -10.252 5.970 22.003 1.00 0.00 C ATOM 1667 C SER A 107 -10.704 4.679 21.316 1.00 0.00 C ATOM 1668 O SER A 107 -10.678 4.566 20.106 1.00 0.00 O ATOM 1669 CB SER A 107 -11.260 7.091 21.746 1.00 0.00 C ATOM 1670 OG SER A 107 -10.589 8.346 21.766 1.00 0.00 O ATOM 0 H SER A 107 -9.026 6.717 20.422 1.00 0.00 H new ATOM 0 HA SER A 107 -10.152 5.753 23.066 1.00 0.00 H new ATOM 0 HB2 SER A 107 -11.747 6.942 20.782 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.042 7.072 22.505 1.00 0.00 H new ATOM 0 HG SER A 107 -11.234 9.065 21.600 1.00 0.00 H new