USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=13 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= -0.0212 X(o=-0.021,f=-0.021) USER MOD Single : A 41 CYS SG : rot 180:sc= -1.66 USER MOD Single : A 43 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.19) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 106:sc= -3.16! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 37:sc= 0.249 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.622 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= -0.491 X(o=-0.49,f=-0.8) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0542 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0178 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0.061) 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 174:sc= -0.773 (180deg=-0.796) USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 104 SER OG : rot 180:sc= 0.00589 USER MOD Single : A 106 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.56) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 525 N GLN A 35 6.914 -10.408 -1.922 1.00 0.00 N ATOM 526 CA GLN A 35 6.023 -9.239 -1.658 1.00 0.00 C ATOM 527 C GLN A 35 4.602 -9.720 -1.350 1.00 0.00 C ATOM 528 O GLN A 35 4.165 -10.745 -1.840 1.00 0.00 O ATOM 529 CB GLN A 35 6.048 -8.420 -2.952 1.00 0.00 C ATOM 530 CG GLN A 35 5.158 -7.186 -2.797 1.00 0.00 C ATOM 531 CD GLN A 35 5.552 -6.138 -3.841 1.00 0.00 C ATOM 532 OE1 GLN A 35 6.350 -5.262 -3.569 1.00 0.00 O ATOM 533 NE2 GLN A 35 5.022 -6.190 -5.032 1.00 0.00 N ATOM 0 HA GLN A 35 6.352 -8.652 -0.801 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.069 -8.117 -3.183 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.700 -9.029 -3.786 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.111 -7.462 -2.920 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.263 -6.773 -1.794 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.352 -6.925 -5.261 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.277 -5.496 -5.735 1.00 0.00 H new ATOM 542 N ARG A 36 3.879 -8.993 -0.539 1.00 0.00 N ATOM 543 CA ARG A 36 2.488 -9.415 -0.196 1.00 0.00 C ATOM 544 C ARG A 36 1.580 -8.186 -0.040 1.00 0.00 C ATOM 545 O ARG A 36 1.993 -7.182 0.507 1.00 0.00 O ATOM 546 CB ARG A 36 2.621 -10.156 1.135 1.00 0.00 C ATOM 547 CG ARG A 36 1.279 -10.785 1.511 1.00 0.00 C ATOM 548 CD ARG A 36 1.077 -12.080 0.719 1.00 0.00 C ATOM 549 NE ARG A 36 1.368 -13.173 1.687 1.00 0.00 N ATOM 550 CZ ARG A 36 1.134 -14.415 1.358 1.00 0.00 C ATOM 551 NH1 ARG A 36 -0.041 -14.938 1.576 1.00 0.00 N ATOM 552 NH2 ARG A 36 2.077 -15.134 0.811 1.00 0.00 N ATOM 0 H ARG A 36 4.191 -8.127 -0.100 1.00 0.00 H new ATOM 0 HA ARG A 36 2.042 -10.039 -0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.386 -10.928 1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.942 -9.466 1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.251 -10.993 2.581 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.468 -10.088 1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.059 -12.153 0.335 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.746 -12.125 -0.140 1.00 0.00 H new ATOM 0 HE ARG A 36 1.750 -12.952 2.607 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.778 -14.377 2.004 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.223 -15.908 1.319 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.996 -14.726 0.641 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.895 -16.104 0.554 1.00 0.00 H new ATOM 566 N PRO A 37 0.368 -8.302 -0.527 1.00 0.00 N ATOM 567 CA PRO A 37 -0.597 -7.178 -0.432 1.00 0.00 C ATOM 568 C PRO A 37 -1.093 -7.015 1.008 1.00 0.00 C ATOM 569 O PRO A 37 -2.023 -7.675 1.431 1.00 0.00 O ATOM 570 CB PRO A 37 -1.737 -7.602 -1.355 1.00 0.00 C ATOM 571 CG PRO A 37 -1.660 -9.093 -1.405 1.00 0.00 C ATOM 572 CD PRO A 37 -0.215 -9.470 -1.202 1.00 0.00 C ATOM 0 HA PRO A 37 -0.163 -6.219 -0.713 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.701 -7.269 -0.970 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.623 -7.167 -2.348 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.286 -9.537 -0.631 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.024 -9.465 -2.362 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.119 -10.370 -0.595 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.282 -9.671 -2.151 1.00 0.00 H new ATOM 580 N PHE A 38 -0.479 -6.142 1.761 1.00 0.00 N ATOM 581 CA PHE A 38 -0.913 -5.935 3.175 1.00 0.00 C ATOM 582 C PHE A 38 -2.107 -4.978 3.226 1.00 0.00 C ATOM 583 O PHE A 38 -2.032 -3.853 2.768 1.00 0.00 O ATOM 584 CB PHE A 38 0.298 -5.317 3.875 1.00 0.00 C ATOM 585 CG PHE A 38 1.378 -6.361 4.037 1.00 0.00 C ATOM 586 CD1 PHE A 38 1.195 -7.426 4.928 1.00 0.00 C ATOM 587 CD2 PHE A 38 2.561 -6.262 3.295 1.00 0.00 C ATOM 588 CE1 PHE A 38 2.197 -8.392 5.077 1.00 0.00 C ATOM 589 CE2 PHE A 38 3.564 -7.229 3.445 1.00 0.00 C ATOM 590 CZ PHE A 38 3.382 -8.294 4.337 1.00 0.00 C ATOM 0 H PHE A 38 0.304 -5.563 1.459 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.229 -6.864 3.650 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.676 -4.476 3.294 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.007 -4.926 4.850 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.282 -7.502 5.500 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.701 -5.441 2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.056 -9.214 5.763 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.477 -7.153 2.873 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.155 -9.039 4.454 1.00 0.00 H new ATOM 600 N ARG A 39 -3.206 -5.414 3.778 1.00 0.00 N ATOM 601 CA ARG A 39 -4.407 -4.529 3.859 1.00 0.00 C ATOM 602 C ARG A 39 -4.245 -3.515 4.995 1.00 0.00 C ATOM 603 O ARG A 39 -4.289 -3.862 6.161 1.00 0.00 O ATOM 604 CB ARG A 39 -5.575 -5.473 4.148 1.00 0.00 C ATOM 605 CG ARG A 39 -6.895 -4.766 3.828 1.00 0.00 C ATOM 606 CD ARG A 39 -8.041 -5.466 4.563 1.00 0.00 C ATOM 607 NE ARG A 39 -8.681 -6.335 3.538 1.00 0.00 N ATOM 608 CZ ARG A 39 -9.980 -6.450 3.498 1.00 0.00 C ATOM 609 NH1 ARG A 39 -10.622 -6.948 4.519 1.00 0.00 N ATOM 610 NH2 ARG A 39 -10.637 -6.065 2.439 1.00 0.00 N ATOM 0 H ARG A 39 -3.326 -6.345 4.177 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.559 -3.957 2.944 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.481 -6.379 3.549 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.559 -5.779 5.194 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.841 -3.720 4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.076 -4.780 2.753 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.671 -6.053 5.403 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.750 -4.744 4.967 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.104 -6.841 2.866 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.108 -7.247 5.348 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.638 -7.038 4.488 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.135 -5.674 1.642 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.653 -6.155 2.408 1.00 0.00 H new ATOM 624 N VAL A 40 -4.060 -2.263 4.664 1.00 0.00 N ATOM 625 CA VAL A 40 -3.898 -1.221 5.720 1.00 0.00 C ATOM 626 C VAL A 40 -5.172 -0.375 5.817 1.00 0.00 C ATOM 627 O VAL A 40 -5.760 -0.006 4.819 1.00 0.00 O ATOM 628 CB VAL A 40 -2.716 -0.365 5.257 1.00 0.00 C ATOM 629 CG1 VAL A 40 -2.451 0.746 6.276 1.00 0.00 C ATOM 630 CG2 VAL A 40 -1.469 -1.245 5.130 1.00 0.00 C ATOM 0 H VAL A 40 -4.014 -1.917 3.705 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.723 -1.651 6.706 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.951 0.080 4.290 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.609 1.353 5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.337 1.374 6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.218 0.303 7.244 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.627 -0.637 4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.238 -1.691 6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.654 -2.035 4.402 1.00 0.00 H new ATOM 640 N CYS A 41 -5.603 -0.070 7.013 1.00 0.00 N ATOM 641 CA CYS A 41 -6.842 0.749 7.176 1.00 0.00 C ATOM 642 C CYS A 41 -6.550 1.994 8.020 1.00 0.00 C ATOM 643 O CYS A 41 -5.546 2.077 8.699 1.00 0.00 O ATOM 644 CB CYS A 41 -7.829 -0.167 7.900 1.00 0.00 C ATOM 645 SG CYS A 41 -8.365 -1.483 6.779 1.00 0.00 S ATOM 0 H CYS A 41 -5.152 -0.352 7.883 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.233 1.098 6.220 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.360 -0.597 8.785 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.690 0.407 8.242 1.00 0.00 H new ATOM 0 HG CYS A 41 -9.203 -2.263 7.395 1.00 0.00 H new ATOM 651 N ASP A 42 -7.428 2.962 7.984 1.00 0.00 N ATOM 652 CA ASP A 42 -7.211 4.204 8.783 1.00 0.00 C ATOM 653 C ASP A 42 -8.275 4.313 9.878 1.00 0.00 C ATOM 654 O ASP A 42 -9.151 3.479 9.984 1.00 0.00 O ATOM 655 CB ASP A 42 -7.333 5.358 7.791 1.00 0.00 C ATOM 656 CG ASP A 42 -6.440 6.511 8.252 1.00 0.00 C ATOM 657 OD1 ASP A 42 -6.736 7.085 9.288 1.00 0.00 O ATOM 658 OD2 ASP A 42 -5.477 6.801 7.564 1.00 0.00 O ATOM 0 H ASP A 42 -8.287 2.946 7.435 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.240 4.209 9.278 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.038 5.030 6.794 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.370 5.689 7.724 1.00 0.00 H new ATOM 663 N HIS A 43 -8.184 5.326 10.707 1.00 0.00 N ATOM 664 CA HIS A 43 -9.170 5.498 11.823 1.00 0.00 C ATOM 665 C HIS A 43 -10.590 5.061 11.408 1.00 0.00 C ATOM 666 O HIS A 43 -10.969 3.927 11.621 1.00 0.00 O ATOM 667 CB HIS A 43 -9.130 6.995 12.146 1.00 0.00 C ATOM 668 CG HIS A 43 -10.055 7.291 13.294 1.00 0.00 C ATOM 669 ND1 HIS A 43 -10.138 6.472 14.408 1.00 0.00 N ATOM 670 CD2 HIS A 43 -10.943 8.315 13.514 1.00 0.00 C ATOM 671 CE1 HIS A 43 -11.045 7.009 15.242 1.00 0.00 C ATOM 672 NE2 HIS A 43 -11.567 8.135 14.745 1.00 0.00 N ATOM 0 H HIS A 43 -7.464 6.047 10.658 1.00 0.00 H new ATOM 0 HA HIS A 43 -8.916 4.878 12.683 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.113 7.295 12.399 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.425 7.574 11.271 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.129 9.135 12.836 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -11.318 6.583 16.196 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -12.272 8.734 15.176 1.00 0.00 H new ATOM 680 N LYS A 44 -11.378 5.935 10.827 1.00 0.00 N ATOM 681 CA LYS A 44 -12.757 5.518 10.428 1.00 0.00 C ATOM 682 C LYS A 44 -12.789 5.033 8.971 1.00 0.00 C ATOM 683 O LYS A 44 -12.958 3.859 8.704 1.00 0.00 O ATOM 684 CB LYS A 44 -13.610 6.778 10.594 1.00 0.00 C ATOM 685 CG LYS A 44 -15.057 6.483 10.189 1.00 0.00 C ATOM 686 CD LYS A 44 -15.711 5.583 11.241 1.00 0.00 C ATOM 687 CE LYS A 44 -16.605 6.427 12.154 1.00 0.00 C ATOM 688 NZ LYS A 44 -16.927 5.538 13.305 1.00 0.00 N ATOM 0 H LYS A 44 -11.131 6.902 10.615 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.121 4.688 11.033 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.575 7.118 11.629 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.208 7.584 9.980 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.616 7.414 10.094 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.080 5.996 9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.301 4.807 10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.945 5.079 11.830 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.092 7.330 12.484 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.510 6.746 11.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.538 6.046 13.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.421 4.690 12.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.047 5.256 13.783 1.00 0.00 H new ATOM 702 N ARG A 45 -12.633 5.927 8.030 1.00 0.00 N ATOM 703 CA ARG A 45 -12.656 5.516 6.594 1.00 0.00 C ATOM 704 C ARG A 45 -11.862 6.502 5.728 1.00 0.00 C ATOM 705 O ARG A 45 -12.039 6.559 4.525 1.00 0.00 O ATOM 706 CB ARG A 45 -14.135 5.537 6.205 1.00 0.00 C ATOM 707 CG ARG A 45 -14.312 4.892 4.827 1.00 0.00 C ATOM 708 CD ARG A 45 -15.780 4.507 4.624 1.00 0.00 C ATOM 709 NE ARG A 45 -15.794 3.019 4.640 1.00 0.00 N ATOM 710 CZ ARG A 45 -16.322 2.360 3.643 1.00 0.00 C ATOM 711 NH1 ARG A 45 -15.585 2.032 2.616 1.00 0.00 N ATOM 712 NH2 ARG A 45 -17.583 2.033 3.673 1.00 0.00 N ATOM 0 H ARG A 45 -12.491 6.924 8.193 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.200 4.537 6.444 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.725 5.000 6.948 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.503 6.563 6.188 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -13.996 5.585 4.047 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.679 4.008 4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.408 4.916 5.415 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.163 4.895 3.680 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.391 2.514 5.429 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -14.599 2.290 2.593 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -15.996 1.518 1.837 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.158 2.292 4.475 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.995 1.519 2.895 1.00 0.00 H new ATOM 726 N THR A 46 -11.007 7.293 6.321 1.00 0.00 N ATOM 727 CA THR A 46 -10.226 8.287 5.519 1.00 0.00 C ATOM 728 C THR A 46 -9.508 7.607 4.348 1.00 0.00 C ATOM 729 O THR A 46 -9.806 7.864 3.198 1.00 0.00 O ATOM 730 CB THR A 46 -9.213 8.887 6.494 1.00 0.00 C ATOM 731 OG1 THR A 46 -8.352 7.864 6.967 1.00 0.00 O ATOM 732 CG2 THR A 46 -9.947 9.527 7.675 1.00 0.00 C ATOM 0 H THR A 46 -10.814 7.296 7.323 1.00 0.00 H new ATOM 0 HA THR A 46 -10.874 9.048 5.083 1.00 0.00 H new ATOM 0 HB THR A 46 -8.626 9.650 5.982 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.473 7.954 6.543 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.221 9.953 8.367 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.606 10.315 7.310 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.538 8.769 8.190 1.00 0.00 H new ATOM 740 N ILE A 47 -8.561 6.752 4.627 1.00 0.00 N ATOM 741 CA ILE A 47 -7.825 6.072 3.518 1.00 0.00 C ATOM 742 C ILE A 47 -7.698 4.571 3.794 1.00 0.00 C ATOM 743 O ILE A 47 -7.158 4.156 4.799 1.00 0.00 O ATOM 744 CB ILE A 47 -6.442 6.730 3.496 1.00 0.00 C ATOM 745 CG1 ILE A 47 -6.592 8.245 3.329 1.00 0.00 C ATOM 746 CG2 ILE A 47 -5.631 6.170 2.325 1.00 0.00 C ATOM 747 CD1 ILE A 47 -5.228 8.914 3.492 1.00 0.00 C ATOM 0 H ILE A 47 -8.265 6.495 5.569 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.343 6.172 2.564 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.928 6.519 4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.006 8.474 2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.291 8.636 4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.646 6.637 2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.519 5.092 2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.149 6.381 1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.335 9.992 3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.832 8.696 4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.543 8.532 2.736 1.00 0.00 H new ATOM 759 N ARG A 48 -8.184 3.756 2.898 1.00 0.00 N ATOM 760 CA ARG A 48 -8.087 2.280 3.094 1.00 0.00 C ATOM 761 C ARG A 48 -7.756 1.596 1.764 1.00 0.00 C ATOM 762 O ARG A 48 -8.612 1.414 0.919 1.00 0.00 O ATOM 763 CB ARG A 48 -9.470 1.850 3.587 1.00 0.00 C ATOM 764 CG ARG A 48 -9.391 0.427 4.147 1.00 0.00 C ATOM 765 CD ARG A 48 -10.721 0.062 4.810 1.00 0.00 C ATOM 766 NE ARG A 48 -11.662 -0.169 3.680 1.00 0.00 N ATOM 767 CZ ARG A 48 -12.355 -1.274 3.623 1.00 0.00 C ATOM 768 NH1 ARG A 48 -13.513 -1.349 4.220 1.00 0.00 N ATOM 769 NH2 ARG A 48 -11.890 -2.303 2.969 1.00 0.00 N ATOM 0 H ARG A 48 -8.645 4.049 2.037 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.302 2.007 3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.823 2.536 4.357 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.189 1.891 2.769 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -9.167 -0.278 3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -8.580 0.355 4.872 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.622 -0.829 5.430 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.072 0.864 5.459 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.765 0.536 2.950 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.876 -0.544 4.731 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.055 -2.212 4.176 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.985 -2.244 2.502 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.432 -3.166 2.925 1.00 0.00 H new ATOM 783 N LYS A 49 -6.518 1.225 1.567 1.00 0.00 N ATOM 784 CA LYS A 49 -6.132 0.560 0.289 1.00 0.00 C ATOM 785 C LYS A 49 -5.140 -0.575 0.558 1.00 0.00 C ATOM 786 O LYS A 49 -4.201 -0.425 1.314 1.00 0.00 O ATOM 787 CB LYS A 49 -5.474 1.663 -0.545 1.00 0.00 C ATOM 788 CG LYS A 49 -5.032 1.094 -1.896 1.00 0.00 C ATOM 789 CD LYS A 49 -6.249 0.939 -2.811 1.00 0.00 C ATOM 790 CE LYS A 49 -6.057 -0.282 -3.712 1.00 0.00 C ATOM 791 NZ LYS A 49 -7.407 -0.907 -3.804 1.00 0.00 N ATOM 0 H LYS A 49 -5.759 1.354 2.236 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.987 0.116 -0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.174 2.484 -0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.615 2.071 -0.013 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.299 1.755 -2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.546 0.129 -1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.154 0.825 -2.214 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.378 1.835 -3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.688 0.007 -4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.329 -0.974 -3.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.358 -1.753 -4.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.730 -1.178 -2.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.077 -0.227 -4.216 1.00 0.00 H new ATOM 805 N GLY A 50 -5.340 -1.707 -0.063 1.00 0.00 N ATOM 806 CA GLY A 50 -4.408 -2.851 0.149 1.00 0.00 C ATOM 807 C GLY A 50 -3.196 -2.689 -0.769 1.00 0.00 C ATOM 808 O GLY A 50 -3.233 -3.045 -1.931 1.00 0.00 O ATOM 0 H GLY A 50 -6.109 -1.888 -0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.088 -2.887 1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.915 -3.793 -0.061 1.00 0.00 H new ATOM 812 N LEU A 51 -2.123 -2.148 -0.260 1.00 0.00 N ATOM 813 CA LEU A 51 -0.906 -1.956 -1.104 1.00 0.00 C ATOM 814 C LEU A 51 0.136 -3.032 -0.790 1.00 0.00 C ATOM 815 O LEU A 51 0.316 -3.420 0.349 1.00 0.00 O ATOM 816 CB LEU A 51 -0.375 -0.572 -0.731 1.00 0.00 C ATOM 817 CG LEU A 51 -1.333 0.502 -1.249 1.00 0.00 C ATOM 818 CD1 LEU A 51 -1.027 1.833 -0.557 1.00 0.00 C ATOM 819 CD2 LEU A 51 -1.151 0.660 -2.760 1.00 0.00 C ATOM 0 H LEU A 51 -2.035 -1.830 0.705 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.130 -2.033 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.272 -0.490 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.617 -0.425 -1.158 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.361 0.208 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.709 2.600 -0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.154 1.721 0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.000 2.127 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.833 1.425 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.124 0.955 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.366 -0.288 -3.253 1.00 0.00 H new ATOM 831 N THR A 52 0.824 -3.514 -1.789 1.00 0.00 N ATOM 832 CA THR A 52 1.859 -4.560 -1.547 1.00 0.00 C ATOM 833 C THR A 52 3.164 -3.912 -1.083 1.00 0.00 C ATOM 834 O THR A 52 3.664 -2.992 -1.698 1.00 0.00 O ATOM 835 CB THR A 52 2.051 -5.247 -2.901 1.00 0.00 C ATOM 836 OG1 THR A 52 2.220 -4.262 -3.911 1.00 0.00 O ATOM 837 CG2 THR A 52 0.828 -6.106 -3.221 1.00 0.00 C ATOM 0 H THR A 52 0.714 -3.229 -2.762 1.00 0.00 H new ATOM 0 HA THR A 52 1.562 -5.266 -0.771 1.00 0.00 H new ATOM 0 HB THR A 52 2.935 -5.883 -2.862 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.740 -3.512 -3.553 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.968 -6.594 -4.186 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.702 -6.863 -2.447 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.060 -5.475 -3.259 1.00 0.00 H new ATOM 845 N ALA A 53 3.714 -4.384 0.001 1.00 0.00 N ATOM 846 CA ALA A 53 4.985 -3.794 0.510 1.00 0.00 C ATOM 847 C ALA A 53 5.958 -4.900 0.925 1.00 0.00 C ATOM 848 O ALA A 53 5.558 -5.995 1.275 1.00 0.00 O ATOM 849 CB ALA A 53 4.574 -2.962 1.726 1.00 0.00 C ATOM 0 H ALA A 53 3.339 -5.153 0.557 1.00 0.00 H new ATOM 0 HA ALA A 53 5.492 -3.194 -0.246 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.456 -2.492 2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.867 -2.191 1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.105 -3.609 2.468 1.00 0.00 H new ATOM 855 N ALA A 54 7.231 -4.618 0.891 1.00 0.00 N ATOM 856 CA ALA A 54 8.240 -5.643 1.287 1.00 0.00 C ATOM 857 C ALA A 54 9.328 -4.989 2.142 1.00 0.00 C ATOM 858 O ALA A 54 10.232 -4.356 1.631 1.00 0.00 O ATOM 859 CB ALA A 54 8.822 -6.158 -0.028 1.00 0.00 C ATOM 0 H ALA A 54 7.618 -3.719 0.605 1.00 0.00 H new ATOM 0 HA ALA A 54 7.808 -6.451 1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.575 -6.918 0.180 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.026 -6.592 -0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.281 -5.332 -0.571 1.00 0.00 H new ATOM 865 N THR A 55 9.244 -5.130 3.438 1.00 0.00 N ATOM 866 CA THR A 55 10.268 -4.509 4.324 1.00 0.00 C ATOM 867 C THR A 55 10.394 -5.305 5.626 1.00 0.00 C ATOM 868 O THR A 55 9.417 -5.803 6.155 1.00 0.00 O ATOM 869 CB THR A 55 9.744 -3.100 4.601 1.00 0.00 C ATOM 870 OG1 THR A 55 9.187 -2.559 3.411 1.00 0.00 O ATOM 871 CG2 THR A 55 10.890 -2.209 5.079 1.00 0.00 C ATOM 0 H THR A 55 8.510 -5.649 3.920 1.00 0.00 H new ATOM 0 HA THR A 55 11.258 -4.493 3.868 1.00 0.00 H new ATOM 0 HB THR A 55 8.977 -3.146 5.374 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.850 -1.656 3.589 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.513 -1.205 5.276 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.315 -2.622 5.994 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.660 -2.163 4.309 1.00 0.00 H new ATOM 879 N ARG A 56 11.585 -5.433 6.143 1.00 0.00 N ATOM 880 CA ARG A 56 11.772 -6.202 7.409 1.00 0.00 C ATOM 881 C ARG A 56 11.650 -5.275 8.628 1.00 0.00 C ATOM 882 O ARG A 56 10.626 -5.230 9.279 1.00 0.00 O ATOM 883 CB ARG A 56 13.183 -6.793 7.306 1.00 0.00 C ATOM 884 CG ARG A 56 13.492 -7.605 8.565 1.00 0.00 C ATOM 885 CD ARG A 56 14.826 -8.335 8.385 1.00 0.00 C ATOM 886 NE ARG A 56 14.463 -9.674 7.842 1.00 0.00 N ATOM 887 CZ ARG A 56 14.255 -10.674 8.653 1.00 0.00 C ATOM 888 NH1 ARG A 56 15.156 -10.990 9.542 1.00 0.00 N ATOM 889 NH2 ARG A 56 13.146 -11.358 8.576 1.00 0.00 N ATOM 0 H ARG A 56 12.437 -5.039 5.745 1.00 0.00 H new ATOM 0 HA ARG A 56 11.016 -6.977 7.538 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.259 -7.428 6.424 1.00 0.00 H new ATOM 0 HB3 ARG A 56 13.915 -5.994 7.187 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.539 -6.947 9.433 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.694 -8.324 8.753 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.481 -7.796 7.701 1.00 0.00 H new ATOM 0 HD3 ARG A 56 15.358 -8.424 9.332 1.00 0.00 H new ATOM 0 HE ARG A 56 14.377 -9.809 6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 56 16.022 -10.455 9.602 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.994 -11.772 10.177 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.441 -11.111 7.881 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.984 -12.140 9.211 1.00 0.00 H new ATOM 903 N GLN A 57 12.688 -4.544 8.946 1.00 0.00 N ATOM 904 CA GLN A 57 12.631 -3.633 10.128 1.00 0.00 C ATOM 905 C GLN A 57 12.133 -2.244 9.717 1.00 0.00 C ATOM 906 O GLN A 57 11.436 -1.581 10.461 1.00 0.00 O ATOM 907 CB GLN A 57 14.069 -3.556 10.635 1.00 0.00 C ATOM 908 CG GLN A 57 14.092 -2.887 12.010 1.00 0.00 C ATOM 909 CD GLN A 57 15.503 -2.374 12.307 1.00 0.00 C ATOM 910 OE1 GLN A 57 16.413 -3.151 12.512 1.00 0.00 O ATOM 911 NE2 GLN A 57 15.722 -1.088 12.339 1.00 0.00 N ATOM 0 H GLN A 57 13.572 -4.539 8.438 1.00 0.00 H new ATOM 0 HA GLN A 57 11.944 -3.997 10.892 1.00 0.00 H new ATOM 0 HB2 GLN A 57 14.497 -4.556 10.699 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.683 -2.991 9.934 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.381 -2.061 12.036 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.783 -3.598 12.777 1.00 0.00 H new ATOM 0 HE21 GLN A 57 14.957 -0.436 12.167 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.658 -0.735 12.536 1.00 0.00 H new ATOM 920 N GLU A 58 12.490 -1.795 8.544 1.00 0.00 N ATOM 921 CA GLU A 58 12.045 -0.442 8.091 1.00 0.00 C ATOM 922 C GLU A 58 10.552 -0.453 7.730 1.00 0.00 C ATOM 923 O GLU A 58 9.966 0.577 7.454 1.00 0.00 O ATOM 924 CB GLU A 58 12.896 -0.138 6.857 1.00 0.00 C ATOM 925 CG GLU A 58 12.587 1.275 6.358 1.00 0.00 C ATOM 926 CD GLU A 58 13.509 1.613 5.185 1.00 0.00 C ATOM 927 OE1 GLU A 58 14.692 1.334 5.288 1.00 0.00 O ATOM 928 OE2 GLU A 58 13.015 2.145 4.204 1.00 0.00 O ATOM 0 H GLU A 58 13.071 -2.305 7.879 1.00 0.00 H new ATOM 0 HA GLU A 58 12.169 0.310 8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.955 -0.225 7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.690 -0.865 6.072 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.545 1.343 6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.726 1.996 7.164 1.00 0.00 H new ATOM 935 N LEU A 59 9.928 -1.604 7.734 1.00 0.00 N ATOM 936 CA LEU A 59 8.473 -1.670 7.394 1.00 0.00 C ATOM 937 C LEU A 59 7.678 -0.702 8.278 1.00 0.00 C ATOM 938 O LEU A 59 6.629 -0.221 7.898 1.00 0.00 O ATOM 939 CB LEU A 59 8.064 -3.115 7.679 1.00 0.00 C ATOM 940 CG LEU A 59 6.691 -3.387 7.063 1.00 0.00 C ATOM 941 CD1 LEU A 59 6.600 -4.852 6.638 1.00 0.00 C ATOM 942 CD2 LEU A 59 5.602 -3.090 8.098 1.00 0.00 C ATOM 0 H LEU A 59 10.362 -2.500 7.958 1.00 0.00 H new ATOM 0 HA LEU A 59 8.278 -1.388 6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.803 -3.802 7.265 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.033 -3.290 8.754 1.00 0.00 H new ATOM 0 HG LEU A 59 6.552 -2.748 6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.621 -5.043 6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.375 -5.066 5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.739 -5.493 7.509 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.622 -3.283 7.661 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.743 -3.730 8.969 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.664 -2.045 8.402 1.00 0.00 H new ATOM 954 N LEU A 60 8.174 -0.413 9.452 1.00 0.00 N ATOM 955 CA LEU A 60 7.449 0.526 10.358 1.00 0.00 C ATOM 956 C LEU A 60 7.370 1.914 9.715 1.00 0.00 C ATOM 957 O LEU A 60 6.348 2.570 9.761 1.00 0.00 O ATOM 958 CB LEU A 60 8.291 0.568 11.639 1.00 0.00 C ATOM 959 CG LEU A 60 7.446 1.071 12.818 1.00 0.00 C ATOM 960 CD1 LEU A 60 6.977 2.503 12.549 1.00 0.00 C ATOM 961 CD2 LEU A 60 6.226 0.163 13.006 1.00 0.00 C ATOM 0 H LEU A 60 9.048 -0.786 9.822 1.00 0.00 H new ATOM 0 HA LEU A 60 6.425 0.209 10.557 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.679 -0.426 11.860 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.152 1.221 11.495 1.00 0.00 H new ATOM 0 HG LEU A 60 8.054 1.054 13.722 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.378 2.854 13.389 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.844 3.152 12.425 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.375 2.524 11.641 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.629 0.524 13.844 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.622 0.173 12.099 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.558 -0.855 13.209 1.00 0.00 H new ATOM 973 N ALA A 61 8.442 2.362 9.115 1.00 0.00 N ATOM 974 CA ALA A 61 8.431 3.707 8.467 1.00 0.00 C ATOM 975 C ALA A 61 7.288 3.799 7.449 1.00 0.00 C ATOM 976 O ALA A 61 6.757 4.860 7.191 1.00 0.00 O ATOM 977 CB ALA A 61 9.784 3.823 7.763 1.00 0.00 C ATOM 0 H ALA A 61 9.324 1.855 9.046 1.00 0.00 H new ATOM 0 HA ALA A 61 8.278 4.508 9.190 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.852 4.788 7.262 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.585 3.739 8.498 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.881 3.025 7.027 1.00 0.00 H new ATOM 983 N LYS A 62 6.910 2.690 6.871 1.00 0.00 N ATOM 984 CA LYS A 62 5.801 2.709 5.869 1.00 0.00 C ATOM 985 C LYS A 62 4.509 3.219 6.514 1.00 0.00 C ATOM 986 O LYS A 62 3.865 4.116 6.008 1.00 0.00 O ATOM 987 CB LYS A 62 5.638 1.255 5.421 1.00 0.00 C ATOM 988 CG LYS A 62 4.635 1.183 4.264 1.00 0.00 C ATOM 989 CD LYS A 62 3.397 0.393 4.702 1.00 0.00 C ATOM 990 CE LYS A 62 3.587 -1.089 4.363 1.00 0.00 C ATOM 991 NZ LYS A 62 2.338 -1.487 3.657 1.00 0.00 N ATOM 0 H LYS A 62 7.319 1.773 7.048 1.00 0.00 H new ATOM 0 HA LYS A 62 6.020 3.370 5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.600 0.851 5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.292 0.644 6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.347 2.188 3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.096 0.705 3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.236 0.514 5.773 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.510 0.780 4.201 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.462 -1.240 3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.737 -1.684 5.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.394 -2.491 3.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.522 -1.339 4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.225 -0.909 2.800 1.00 0.00 H new ATOM 1005 N ALA A 63 4.125 2.647 7.625 1.00 0.00 N ATOM 1006 CA ALA A 63 2.869 3.090 8.310 1.00 0.00 C ATOM 1007 C ALA A 63 2.851 4.613 8.479 1.00 0.00 C ATOM 1008 O ALA A 63 1.804 5.230 8.522 1.00 0.00 O ATOM 1009 CB ALA A 63 2.902 2.409 9.678 1.00 0.00 C ATOM 0 H ALA A 63 4.626 1.890 8.090 1.00 0.00 H new ATOM 0 HA ALA A 63 1.981 2.826 7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.012 2.685 10.243 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.927 1.327 9.545 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.791 2.729 10.222 1.00 0.00 H new ATOM 1015 N LEU A 64 4.002 5.218 8.587 1.00 0.00 N ATOM 1016 CA LEU A 64 4.058 6.699 8.767 1.00 0.00 C ATOM 1017 C LEU A 64 3.803 7.440 7.442 1.00 0.00 C ATOM 1018 O LEU A 64 2.732 7.963 7.210 1.00 0.00 O ATOM 1019 CB LEU A 64 5.474 6.978 9.279 1.00 0.00 C ATOM 1020 CG LEU A 64 5.656 6.331 10.653 1.00 0.00 C ATOM 1021 CD1 LEU A 64 7.099 6.525 11.122 1.00 0.00 C ATOM 1022 CD2 LEU A 64 4.704 6.984 11.657 1.00 0.00 C ATOM 0 H LEU A 64 4.908 4.751 8.558 1.00 0.00 H new ATOM 0 HA LEU A 64 3.289 7.049 9.456 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.210 6.583 8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.643 8.053 9.346 1.00 0.00 H new ATOM 0 HG LEU A 64 5.436 5.266 10.583 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.228 6.064 12.101 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.779 6.059 10.409 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.319 7.590 11.191 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.835 6.522 12.636 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.923 8.049 11.726 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.675 6.846 11.325 1.00 0.00 H new ATOM 1034 N GLU A 65 4.794 7.510 6.592 1.00 0.00 N ATOM 1035 CA GLU A 65 4.642 8.246 5.297 1.00 0.00 C ATOM 1036 C GLU A 65 3.467 7.722 4.458 1.00 0.00 C ATOM 1037 O GLU A 65 2.945 8.429 3.620 1.00 0.00 O ATOM 1038 CB GLU A 65 5.961 8.012 4.559 1.00 0.00 C ATOM 1039 CG GLU A 65 6.102 9.025 3.421 1.00 0.00 C ATOM 1040 CD GLU A 65 5.279 8.558 2.218 1.00 0.00 C ATOM 1041 OE1 GLU A 65 5.486 7.437 1.784 1.00 0.00 O ATOM 1042 OE2 GLU A 65 4.458 9.331 1.751 1.00 0.00 O ATOM 0 H GLU A 65 5.710 7.086 6.739 1.00 0.00 H new ATOM 0 HA GLU A 65 4.429 9.301 5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.798 8.109 5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.991 6.997 4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.761 10.007 3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.150 9.129 3.140 1.00 0.00 H new ATOM 1049 N THR A 66 3.051 6.498 4.655 1.00 0.00 N ATOM 1050 CA THR A 66 1.917 5.966 3.834 1.00 0.00 C ATOM 1051 C THR A 66 0.708 6.910 3.897 1.00 0.00 C ATOM 1052 O THR A 66 0.131 7.251 2.884 1.00 0.00 O ATOM 1053 CB THR A 66 1.573 4.597 4.432 1.00 0.00 C ATOM 1054 OG1 THR A 66 0.480 4.035 3.718 1.00 0.00 O ATOM 1055 CG2 THR A 66 1.192 4.749 5.903 1.00 0.00 C ATOM 0 H THR A 66 3.440 5.849 5.339 1.00 0.00 H new ATOM 0 HA THR A 66 2.191 5.883 2.782 1.00 0.00 H new ATOM 0 HB THR A 66 2.442 3.944 4.354 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.258 3.159 4.096 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.949 3.771 6.319 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.029 5.180 6.453 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.326 5.405 5.989 1.00 0.00 H new ATOM 1063 N LEU A 67 0.322 7.341 5.071 1.00 0.00 N ATOM 1064 CA LEU A 67 -0.844 8.266 5.172 1.00 0.00 C ATOM 1065 C LEU A 67 -0.364 9.707 5.373 1.00 0.00 C ATOM 1066 O LEU A 67 -0.758 10.608 4.662 1.00 0.00 O ATOM 1067 CB LEU A 67 -1.626 7.787 6.397 1.00 0.00 C ATOM 1068 CG LEU A 67 -2.220 6.406 6.115 1.00 0.00 C ATOM 1069 CD1 LEU A 67 -2.324 5.618 7.422 1.00 0.00 C ATOM 1070 CD2 LEU A 67 -3.613 6.570 5.506 1.00 0.00 C ATOM 0 H LEU A 67 0.761 7.094 5.958 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.454 8.258 4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.969 7.742 7.266 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.420 8.495 6.634 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.578 5.868 5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.747 4.634 7.221 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.332 5.504 7.858 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.967 6.154 8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.040 5.588 5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.255 7.107 6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.539 7.132 4.575 1.00 0.00 H new ATOM 1082 N LEU A 68 0.490 9.924 6.339 1.00 0.00 N ATOM 1083 CA LEU A 68 1.005 11.303 6.591 1.00 0.00 C ATOM 1084 C LEU A 68 2.453 11.242 7.083 1.00 0.00 C ATOM 1085 O LEU A 68 2.834 10.342 7.806 1.00 0.00 O ATOM 1086 CB LEU A 68 0.090 11.876 7.675 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.247 12.288 7.057 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -2.197 12.757 8.160 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.021 13.428 6.063 1.00 0.00 C ATOM 0 H LEU A 68 0.853 9.205 6.965 1.00 0.00 H new ATOM 0 HA LEU A 68 1.002 11.918 5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.073 11.134 8.456 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.564 12.737 8.147 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.684 11.434 6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.150 13.051 7.719 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.360 11.945 8.869 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.759 13.610 8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.974 13.721 5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.583 14.281 6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.345 13.095 5.276 1.00 0.00 H new ATOM 1101 N LEU A 69 3.263 12.195 6.706 1.00 0.00 N ATOM 1102 CA LEU A 69 4.683 12.187 7.163 1.00 0.00 C ATOM 1103 C LEU A 69 4.798 12.844 8.544 1.00 0.00 C ATOM 1104 O LEU A 69 4.455 13.995 8.723 1.00 0.00 O ATOM 1105 CB LEU A 69 5.451 12.992 6.107 1.00 0.00 C ATOM 1106 CG LEU A 69 4.951 14.442 6.084 1.00 0.00 C ATOM 1107 CD1 LEU A 69 5.932 15.333 6.847 1.00 0.00 C ATOM 1108 CD2 LEU A 69 4.849 14.922 4.635 1.00 0.00 C ATOM 0 H LEU A 69 3.004 12.976 6.103 1.00 0.00 H new ATOM 0 HA LEU A 69 5.080 11.177 7.262 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.518 12.971 6.327 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.319 12.538 5.125 1.00 0.00 H new ATOM 0 HG LEU A 69 3.970 14.495 6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.576 16.363 6.830 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.006 14.991 7.879 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.913 15.280 6.376 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.494 15.952 4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.831 14.868 4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.150 14.288 4.090 1.00 0.00 H new ATOM 1120 N ASN A 70 5.274 12.116 9.519 1.00 0.00 N ATOM 1121 CA ASN A 70 5.407 12.697 10.887 1.00 0.00 C ATOM 1122 C ASN A 70 6.714 12.231 11.535 1.00 0.00 C ATOM 1123 O ASN A 70 7.220 11.167 11.238 1.00 0.00 O ATOM 1124 CB ASN A 70 4.205 12.157 11.666 1.00 0.00 C ATOM 1125 CG ASN A 70 3.862 13.118 12.807 1.00 0.00 C ATOM 1126 OD1 ASN A 70 4.299 12.932 13.925 1.00 0.00 O ATOM 1127 ND2 ASN A 70 3.090 14.143 12.569 1.00 0.00 N ATOM 0 H ASN A 70 5.576 11.146 9.428 1.00 0.00 H new ATOM 0 HA ASN A 70 5.429 13.787 10.871 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.348 12.044 11.001 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.431 11.168 12.065 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.853 14.789 13.322 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.724 14.298 11.630 1.00 0.00 H new ATOM 1134 N GLY A 71 7.262 13.022 12.419 1.00 0.00 N ATOM 1135 CA GLY A 71 8.534 12.630 13.088 1.00 0.00 C ATOM 1136 C GLY A 71 8.258 11.516 14.101 1.00 0.00 C ATOM 1137 O GLY A 71 9.002 10.561 14.208 1.00 0.00 O ATOM 0 H GLY A 71 6.882 13.924 12.706 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.257 12.290 12.347 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.973 13.492 13.590 1.00 0.00 H new ATOM 1141 N VAL A 72 7.189 11.630 14.844 1.00 0.00 N ATOM 1142 CA VAL A 72 6.857 10.580 15.852 1.00 0.00 C ATOM 1143 C VAL A 72 5.371 10.224 15.770 1.00 0.00 C ATOM 1144 O VAL A 72 4.519 11.090 15.715 1.00 0.00 O ATOM 1145 CB VAL A 72 7.184 11.207 17.208 1.00 0.00 C ATOM 1146 CG1 VAL A 72 6.990 10.166 18.311 1.00 0.00 C ATOM 1147 CG2 VAL A 72 8.638 11.686 17.216 1.00 0.00 C ATOM 0 H VAL A 72 6.530 12.407 14.796 1.00 0.00 H new ATOM 0 HA VAL A 72 7.416 9.659 15.687 1.00 0.00 H new ATOM 0 HB VAL A 72 6.521 12.054 17.382 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.223 10.612 19.278 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.955 9.823 18.310 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.653 9.319 18.133 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.869 12.132 18.183 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.301 10.839 17.040 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.781 12.428 16.431 1.00 0.00 H new ATOM 1157 N LEU A 73 5.054 8.957 15.757 1.00 0.00 N ATOM 1158 CA LEU A 73 3.624 8.544 15.674 1.00 0.00 C ATOM 1159 C LEU A 73 3.399 7.268 16.490 1.00 0.00 C ATOM 1160 O LEU A 73 4.200 6.354 16.460 1.00 0.00 O ATOM 1161 CB LEU A 73 3.384 8.287 14.182 1.00 0.00 C ATOM 1162 CG LEU A 73 1.885 8.360 13.858 1.00 0.00 C ATOM 1163 CD1 LEU A 73 1.139 7.249 14.598 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.326 9.722 14.282 1.00 0.00 C ATOM 0 H LEU A 73 5.725 8.190 15.800 1.00 0.00 H new ATOM 0 HA LEU A 73 2.943 9.296 16.073 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.927 9.023 13.588 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.774 7.307 13.909 1.00 0.00 H new ATOM 0 HG LEU A 73 1.748 8.233 12.784 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.076 7.306 14.364 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.528 6.280 14.286 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.281 7.368 15.672 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.262 9.767 14.049 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.469 9.856 15.354 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.849 10.513 13.745 1.00 0.00 H new ATOM 1176 N THR A 74 2.320 7.202 17.223 1.00 0.00 N ATOM 1177 CA THR A 74 2.046 5.985 18.042 1.00 0.00 C ATOM 1178 C THR A 74 1.197 4.986 17.253 1.00 0.00 C ATOM 1179 O THR A 74 0.253 5.353 16.576 1.00 0.00 O ATOM 1180 CB THR A 74 1.276 6.495 19.262 1.00 0.00 C ATOM 1181 OG1 THR A 74 0.224 7.350 18.832 1.00 0.00 O ATOM 1182 CG2 THR A 74 2.222 7.269 20.184 1.00 0.00 C ATOM 0 H THR A 74 1.617 7.938 17.290 1.00 0.00 H new ATOM 0 HA THR A 74 2.962 5.465 18.322 1.00 0.00 H new ATOM 0 HB THR A 74 0.858 5.648 19.807 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.272 7.677 19.612 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.670 7.630 21.051 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.027 6.612 20.514 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.644 8.116 19.644 1.00 0.00 H new ATOM 1190 N LEU A 75 1.521 3.722 17.342 1.00 0.00 N ATOM 1191 CA LEU A 75 0.734 2.689 16.607 1.00 0.00 C ATOM 1192 C LEU A 75 -0.289 2.047 17.547 1.00 0.00 C ATOM 1193 O LEU A 75 0.005 1.752 18.688 1.00 0.00 O ATOM 1194 CB LEU A 75 1.763 1.649 16.156 1.00 0.00 C ATOM 1195 CG LEU A 75 2.481 2.141 14.900 1.00 0.00 C ATOM 1196 CD1 LEU A 75 3.902 1.577 14.874 1.00 0.00 C ATOM 1197 CD2 LEU A 75 1.721 1.659 13.662 1.00 0.00 C ATOM 0 H LEU A 75 2.299 3.360 17.894 1.00 0.00 H new ATOM 0 HA LEU A 75 0.184 3.110 15.766 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.485 1.470 16.952 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.269 0.699 15.955 1.00 0.00 H new ATOM 0 HG LEU A 75 2.521 3.230 14.904 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.416 1.927 13.979 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.443 1.914 15.758 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.861 0.488 14.867 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.230 2.008 12.764 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.685 0.570 13.659 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.706 2.056 13.681 1.00 0.00 H new ATOM 1209 N VAL A 76 -1.488 1.830 17.077 1.00 0.00 N ATOM 1210 CA VAL A 76 -2.527 1.208 17.949 1.00 0.00 C ATOM 1211 C VAL A 76 -3.446 0.299 17.125 1.00 0.00 C ATOM 1212 O VAL A 76 -3.562 0.444 15.924 1.00 0.00 O ATOM 1213 CB VAL A 76 -3.314 2.385 18.530 1.00 0.00 C ATOM 1214 CG1 VAL A 76 -2.377 3.270 19.354 1.00 0.00 C ATOM 1215 CG2 VAL A 76 -3.918 3.214 17.392 1.00 0.00 C ATOM 0 H VAL A 76 -1.793 2.056 16.130 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.088 0.585 18.729 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.112 2.003 19.166 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.938 4.108 19.767 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.946 2.686 20.167 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.578 3.648 18.716 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.478 4.051 17.809 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.119 3.593 16.754 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.587 2.588 16.802 1.00 0.00 H new ATOM 1225 N LEU A 77 -4.102 -0.631 17.763 1.00 0.00 N ATOM 1226 CA LEU A 77 -5.021 -1.546 17.023 1.00 0.00 C ATOM 1227 C LEU A 77 -6.429 -1.456 17.621 1.00 0.00 C ATOM 1228 O LEU A 77 -6.597 -1.336 18.819 1.00 0.00 O ATOM 1229 CB LEU A 77 -4.437 -2.950 17.216 1.00 0.00 C ATOM 1230 CG LEU A 77 -4.312 -3.264 18.712 1.00 0.00 C ATOM 1231 CD1 LEU A 77 -5.041 -4.573 19.031 1.00 0.00 C ATOM 1232 CD2 LEU A 77 -2.834 -3.404 19.083 1.00 0.00 C ATOM 0 H LEU A 77 -4.042 -0.798 18.767 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.102 -1.291 15.966 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.077 -3.689 16.733 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.459 -3.015 16.739 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.759 -2.453 19.286 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.949 -4.791 20.095 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.095 -4.475 18.771 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.599 -5.386 18.455 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.745 -3.627 20.146 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.389 -4.213 18.504 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.314 -2.472 18.863 1.00 0.00 H new ATOM 1244 N GLU A 78 -7.444 -1.506 16.799 1.00 0.00 N ATOM 1245 CA GLU A 78 -8.838 -1.416 17.328 1.00 0.00 C ATOM 1246 C GLU A 78 -9.397 -2.809 17.631 1.00 0.00 C ATOM 1247 O GLU A 78 -10.398 -2.949 18.309 1.00 0.00 O ATOM 1248 CB GLU A 78 -9.645 -0.749 16.213 1.00 0.00 C ATOM 1249 CG GLU A 78 -11.047 -0.413 16.728 1.00 0.00 C ATOM 1250 CD GLU A 78 -11.757 0.496 15.724 1.00 0.00 C ATOM 1251 OE1 GLU A 78 -11.581 0.281 14.535 1.00 0.00 O ATOM 1252 OE2 GLU A 78 -12.462 1.390 16.159 1.00 0.00 O ATOM 0 H GLU A 78 -7.369 -1.605 15.787 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.881 -0.854 18.261 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.142 0.158 15.878 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.712 -1.413 15.351 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.621 -1.328 16.875 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.981 0.081 17.698 1.00 0.00 H new ATOM 1259 N GLU A 79 -8.766 -3.842 17.137 1.00 0.00 N ATOM 1260 CA GLU A 79 -9.270 -5.223 17.398 1.00 0.00 C ATOM 1261 C GLU A 79 -9.384 -5.477 18.905 1.00 0.00 C ATOM 1262 O GLU A 79 -10.459 -5.695 19.426 1.00 0.00 O ATOM 1263 CB GLU A 79 -8.226 -6.152 16.776 1.00 0.00 C ATOM 1264 CG GLU A 79 -8.759 -7.587 16.774 1.00 0.00 C ATOM 1265 CD GLU A 79 -7.775 -8.496 16.037 1.00 0.00 C ATOM 1266 OE1 GLU A 79 -6.584 -8.253 16.139 1.00 0.00 O ATOM 1267 OE2 GLU A 79 -8.230 -9.422 15.386 1.00 0.00 O ATOM 0 H GLU A 79 -7.924 -3.789 16.564 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.262 -5.382 16.976 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -8.001 -5.834 15.758 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -7.294 -6.099 17.339 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.897 -7.936 17.797 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.735 -7.623 16.291 1.00 0.00 H new ATOM 1274 N ASP A 80 -8.282 -5.451 19.605 1.00 0.00 N ATOM 1275 CA ASP A 80 -8.327 -5.692 21.079 1.00 0.00 C ATOM 1276 C ASP A 80 -8.297 -4.362 21.836 1.00 0.00 C ATOM 1277 O ASP A 80 -8.783 -4.258 22.944 1.00 0.00 O ATOM 1278 CB ASP A 80 -7.073 -6.514 21.383 1.00 0.00 C ATOM 1279 CG ASP A 80 -7.248 -7.237 22.718 1.00 0.00 C ATOM 1280 OD1 ASP A 80 -7.435 -6.559 23.718 1.00 0.00 O ATOM 1281 OD2 ASP A 80 -7.193 -8.455 22.722 1.00 0.00 O ATOM 0 H ASP A 80 -7.353 -5.274 19.222 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.237 -6.208 21.386 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.897 -7.237 20.586 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.199 -5.863 21.422 1.00 0.00 H new ATOM 1286 N GLY A 81 -7.733 -3.342 21.244 1.00 0.00 N ATOM 1287 CA GLY A 81 -7.672 -2.018 21.928 1.00 0.00 C ATOM 1288 C GLY A 81 -6.388 -1.924 22.751 1.00 0.00 C ATOM 1289 O GLY A 81 -6.419 -1.844 23.963 1.00 0.00 O ATOM 0 H GLY A 81 -7.312 -3.369 20.315 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.703 -1.215 21.191 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.540 -1.891 22.575 1.00 0.00 H new ATOM 1293 N THR A 82 -5.254 -1.933 22.100 1.00 0.00 N ATOM 1294 CA THR A 82 -3.961 -1.843 22.840 1.00 0.00 C ATOM 1295 C THR A 82 -2.982 -0.940 22.083 1.00 0.00 C ATOM 1296 O THR A 82 -2.974 -0.902 20.868 1.00 0.00 O ATOM 1297 CB THR A 82 -3.437 -3.278 22.895 1.00 0.00 C ATOM 1298 OG1 THR A 82 -4.400 -4.109 23.530 1.00 0.00 O ATOM 1299 CG2 THR A 82 -2.128 -3.316 23.684 1.00 0.00 C ATOM 0 H THR A 82 -5.168 -1.999 21.086 1.00 0.00 H new ATOM 0 HA THR A 82 -4.082 -1.416 23.835 1.00 0.00 H new ATOM 0 HB THR A 82 -3.258 -3.638 21.882 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.066 -5.030 23.564 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.756 -4.340 23.722 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.390 -2.680 23.195 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.304 -2.956 24.698 1.00 0.00 H new ATOM 1307 N ALA A 83 -2.155 -0.215 22.790 1.00 0.00 N ATOM 1308 CA ALA A 83 -1.177 0.682 22.109 1.00 0.00 C ATOM 1309 C ALA A 83 0.121 -0.077 21.819 1.00 0.00 C ATOM 1310 O ALA A 83 0.463 -1.023 22.502 1.00 0.00 O ATOM 1311 CB ALA A 83 -0.924 1.822 23.096 1.00 0.00 C ATOM 0 H ALA A 83 -2.115 -0.206 23.809 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.551 1.050 21.154 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.212 2.525 22.665 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.862 2.337 23.305 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.518 1.417 24.023 1.00 0.00 H new ATOM 1317 N VAL A 84 0.847 0.329 20.808 1.00 0.00 N ATOM 1318 CA VAL A 84 2.121 -0.373 20.473 1.00 0.00 C ATOM 1319 C VAL A 84 3.160 0.622 19.957 1.00 0.00 C ATOM 1320 O VAL A 84 2.828 1.643 19.386 1.00 0.00 O ATOM 1321 CB VAL A 84 1.748 -1.371 19.376 1.00 0.00 C ATOM 1322 CG1 VAL A 84 2.985 -2.182 18.982 1.00 0.00 C ATOM 1323 CG2 VAL A 84 0.663 -2.320 19.893 1.00 0.00 C ATOM 0 H VAL A 84 0.612 1.115 20.202 1.00 0.00 H new ATOM 0 HA VAL A 84 2.558 -0.864 21.343 1.00 0.00 H new ATOM 0 HB VAL A 84 1.374 -0.830 18.507 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.720 -2.894 18.200 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.759 -1.509 18.613 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.359 -2.722 19.852 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.398 -3.031 19.110 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.037 -2.861 20.763 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.219 -1.745 20.175 1.00 0.00 H new ATOM 1333 N ASP A 85 4.418 0.330 20.153 1.00 0.00 N ATOM 1334 CA ASP A 85 5.489 1.251 19.672 1.00 0.00 C ATOM 1335 C ASP A 85 6.711 0.450 19.214 1.00 0.00 C ATOM 1336 O ASP A 85 7.806 0.970 19.122 1.00 0.00 O ATOM 1337 CB ASP A 85 5.838 2.125 20.881 1.00 0.00 C ATOM 1338 CG ASP A 85 6.209 1.239 22.072 1.00 0.00 C ATOM 1339 OD1 ASP A 85 7.078 0.399 21.915 1.00 0.00 O ATOM 1340 OD2 ASP A 85 5.614 1.418 23.125 1.00 0.00 O ATOM 0 H ASP A 85 4.751 -0.509 20.627 1.00 0.00 H new ATOM 0 HA ASP A 85 5.166 1.849 18.820 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.669 2.786 20.635 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.991 2.760 21.139 1.00 0.00 H new ATOM 1345 N SER A 86 6.534 -0.815 18.930 1.00 0.00 N ATOM 1346 CA SER A 86 7.686 -1.651 18.482 1.00 0.00 C ATOM 1347 C SER A 86 7.225 -2.686 17.454 1.00 0.00 C ATOM 1348 O SER A 86 6.051 -2.806 17.163 1.00 0.00 O ATOM 1349 CB SER A 86 8.189 -2.341 19.748 1.00 0.00 C ATOM 1350 OG SER A 86 7.077 -2.805 20.505 1.00 0.00 O ATOM 0 H SER A 86 5.641 -1.304 18.989 1.00 0.00 H new ATOM 0 HA SER A 86 8.464 -1.057 18.004 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.839 -3.176 19.487 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.784 -1.647 20.342 1.00 0.00 H new ATOM 0 HG SER A 86 7.397 -3.250 21.317 1.00 0.00 H new ATOM 1356 N GLU A 87 8.143 -3.437 16.899 1.00 0.00 N ATOM 1357 CA GLU A 87 7.760 -4.469 15.888 1.00 0.00 C ATOM 1358 C GLU A 87 6.884 -5.556 16.526 1.00 0.00 C ATOM 1359 O GLU A 87 6.301 -6.372 15.839 1.00 0.00 O ATOM 1360 CB GLU A 87 9.084 -5.065 15.406 1.00 0.00 C ATOM 1361 CG GLU A 87 8.857 -5.822 14.098 1.00 0.00 C ATOM 1362 CD GLU A 87 10.172 -5.902 13.318 1.00 0.00 C ATOM 1363 OE1 GLU A 87 11.007 -6.711 13.685 1.00 0.00 O ATOM 1364 OE2 GLU A 87 10.320 -5.151 12.368 1.00 0.00 O ATOM 0 H GLU A 87 9.141 -3.380 17.102 1.00 0.00 H new ATOM 0 HA GLU A 87 7.180 -4.040 15.070 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.819 -4.273 15.257 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.489 -5.738 16.162 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.484 -6.825 14.306 1.00 0.00 H new ATOM 0 HG3 GLU A 87 8.098 -5.317 13.501 1.00 0.00 H new ATOM 1371 N ASP A 88 6.785 -5.575 17.830 1.00 0.00 N ATOM 1372 CA ASP A 88 5.946 -6.611 18.506 1.00 0.00 C ATOM 1373 C ASP A 88 4.467 -6.457 18.118 1.00 0.00 C ATOM 1374 O ASP A 88 3.653 -7.307 18.418 1.00 0.00 O ATOM 1375 CB ASP A 88 6.135 -6.360 20.003 1.00 0.00 C ATOM 1376 CG ASP A 88 5.407 -7.443 20.799 1.00 0.00 C ATOM 1377 OD1 ASP A 88 5.787 -8.596 20.677 1.00 0.00 O ATOM 1378 OD2 ASP A 88 4.481 -7.104 21.517 1.00 0.00 O ATOM 0 H ASP A 88 7.249 -4.918 18.457 1.00 0.00 H new ATOM 0 HA ASP A 88 6.239 -7.620 18.217 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.196 -6.363 20.252 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.748 -5.376 20.269 1.00 0.00 H new ATOM 1383 N PHE A 89 4.116 -5.378 17.459 1.00 0.00 N ATOM 1384 CA PHE A 89 2.688 -5.168 17.052 1.00 0.00 C ATOM 1385 C PHE A 89 2.105 -6.448 16.437 1.00 0.00 C ATOM 1386 O PHE A 89 1.208 -7.057 16.987 1.00 0.00 O ATOM 1387 CB PHE A 89 2.743 -4.046 16.010 1.00 0.00 C ATOM 1388 CG PHE A 89 1.375 -3.847 15.398 1.00 0.00 C ATOM 1389 CD1 PHE A 89 0.475 -2.948 15.972 1.00 0.00 C ATOM 1390 CD2 PHE A 89 1.012 -4.565 14.258 1.00 0.00 C ATOM 1391 CE1 PHE A 89 -0.793 -2.762 15.407 1.00 0.00 C ATOM 1392 CE2 PHE A 89 -0.255 -4.389 13.685 1.00 0.00 C ATOM 1393 CZ PHE A 89 -1.171 -3.483 14.256 1.00 0.00 C ATOM 0 H PHE A 89 4.756 -4.633 17.185 1.00 0.00 H new ATOM 0 HA PHE A 89 2.051 -4.915 17.899 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.081 -3.121 16.476 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.466 -4.294 15.233 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.757 -2.394 16.855 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.710 -5.260 13.815 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.484 -2.063 15.855 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.530 -4.949 12.804 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.148 -3.343 13.818 1.00 0.00 H new ATOM 1403 N PHE A 90 2.605 -6.856 15.302 1.00 0.00 N ATOM 1404 CA PHE A 90 2.078 -8.092 14.649 1.00 0.00 C ATOM 1405 C PHE A 90 2.183 -9.292 15.599 1.00 0.00 C ATOM 1406 O PHE A 90 1.482 -10.273 15.449 1.00 0.00 O ATOM 1407 CB PHE A 90 2.965 -8.303 13.423 1.00 0.00 C ATOM 1408 CG PHE A 90 2.513 -7.385 12.310 1.00 0.00 C ATOM 1409 CD1 PHE A 90 1.353 -7.679 11.591 1.00 0.00 C ATOM 1410 CD2 PHE A 90 3.257 -6.246 12.001 1.00 0.00 C ATOM 1411 CE1 PHE A 90 0.933 -6.834 10.558 1.00 0.00 C ATOM 1412 CE2 PHE A 90 2.846 -5.394 10.970 1.00 0.00 C ATOM 1413 CZ PHE A 90 1.676 -5.679 10.235 1.00 0.00 C ATOM 0 H PHE A 90 3.357 -6.387 14.797 1.00 0.00 H new ATOM 0 HA PHE A 90 1.026 -7.994 14.382 1.00 0.00 H new ATOM 0 HB2 PHE A 90 4.006 -8.101 13.675 1.00 0.00 H new ATOM 0 HB3 PHE A 90 2.912 -9.342 13.097 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.778 -8.561 11.833 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.154 -6.021 12.560 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.035 -7.067 10.005 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.427 -4.514 10.736 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.355 -5.024 9.439 1.00 0.00 H new ATOM 1423 N GLN A 91 3.054 -9.223 16.571 1.00 0.00 N ATOM 1424 CA GLN A 91 3.201 -10.362 17.524 1.00 0.00 C ATOM 1425 C GLN A 91 2.174 -10.258 18.658 1.00 0.00 C ATOM 1426 O GLN A 91 2.022 -11.167 19.450 1.00 0.00 O ATOM 1427 CB GLN A 91 4.622 -10.230 18.078 1.00 0.00 C ATOM 1428 CG GLN A 91 4.936 -11.436 18.968 1.00 0.00 C ATOM 1429 CD GLN A 91 6.412 -11.808 18.820 1.00 0.00 C ATOM 1430 OE1 GLN A 91 7.273 -11.163 19.381 1.00 0.00 O ATOM 1431 NE2 GLN A 91 6.741 -12.834 18.083 1.00 0.00 N ATOM 0 H GLN A 91 3.669 -8.428 16.746 1.00 0.00 H new ATOM 0 HA GLN A 91 3.033 -11.324 17.039 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.339 -10.172 17.259 1.00 0.00 H new ATOM 0 HB3 GLN A 91 4.717 -9.307 18.651 1.00 0.00 H new ATOM 0 HG2 GLN A 91 4.712 -11.202 20.009 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.307 -12.281 18.689 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.017 -13.376 17.611 1.00 0.00 H new ATOM 0 HE22 GLN A 91 7.722 -13.093 17.979 1.00 0.00 H new ATOM 1440 N LEU A 92 1.469 -9.160 18.743 1.00 0.00 N ATOM 1441 CA LEU A 92 0.455 -9.005 19.827 1.00 0.00 C ATOM 1442 C LEU A 92 -0.909 -9.527 19.363 1.00 0.00 C ATOM 1443 O LEU A 92 -1.756 -9.872 20.165 1.00 0.00 O ATOM 1444 CB LEU A 92 0.393 -7.500 20.094 1.00 0.00 C ATOM 1445 CG LEU A 92 -0.318 -7.242 21.425 1.00 0.00 C ATOM 1446 CD1 LEU A 92 0.324 -6.039 22.122 1.00 0.00 C ATOM 1447 CD2 LEU A 92 -1.797 -6.950 21.164 1.00 0.00 C ATOM 0 H LEU A 92 1.552 -8.365 18.109 1.00 0.00 H new ATOM 0 HA LEU A 92 0.718 -9.570 20.722 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.400 -7.084 20.122 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.137 -6.999 19.284 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.228 -8.122 22.062 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.182 -5.855 23.070 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.378 -6.246 22.308 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.234 -5.159 21.485 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.304 -6.766 22.111 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.887 -6.070 20.527 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.255 -7.806 20.667 1.00 0.00 H new ATOM 1459 N LEU A 93 -1.131 -9.586 18.076 1.00 0.00 N ATOM 1460 CA LEU A 93 -2.442 -10.084 17.561 1.00 0.00 C ATOM 1461 C LEU A 93 -2.232 -11.338 16.708 1.00 0.00 C ATOM 1462 O LEU A 93 -1.131 -11.634 16.288 1.00 0.00 O ATOM 1463 CB LEU A 93 -2.997 -8.951 16.689 1.00 0.00 C ATOM 1464 CG LEU A 93 -2.926 -7.619 17.442 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -1.670 -6.858 17.017 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -4.162 -6.779 17.111 1.00 0.00 C ATOM 0 H LEU A 93 -0.461 -9.311 17.358 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.120 -10.347 18.373 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.427 -8.884 15.762 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.029 -9.167 16.414 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.891 -7.811 18.514 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.620 -5.910 17.553 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.787 -7.454 17.250 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.706 -6.667 15.945 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.112 -5.831 17.647 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.196 -6.588 16.038 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.060 -7.319 17.412 1.00 0.00 H new ATOM 1478 N GLU A 94 -3.283 -12.066 16.433 1.00 0.00 N ATOM 1479 CA GLU A 94 -3.141 -13.288 15.586 1.00 0.00 C ATOM 1480 C GLU A 94 -2.704 -12.867 14.182 1.00 0.00 C ATOM 1481 O GLU A 94 -2.602 -11.689 13.895 1.00 0.00 O ATOM 1482 CB GLU A 94 -4.535 -13.920 15.555 1.00 0.00 C ATOM 1483 CG GLU A 94 -4.411 -15.442 15.642 1.00 0.00 C ATOM 1484 CD GLU A 94 -4.500 -16.047 14.241 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -5.608 -16.221 13.761 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -3.458 -16.327 13.670 1.00 0.00 O ATOM 0 H GLU A 94 -4.230 -11.869 16.757 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.399 -13.989 15.968 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.133 -13.546 16.386 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.052 -13.639 14.638 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.463 -15.713 16.106 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.202 -15.845 16.274 1.00 0.00 H new ATOM 1493 N ASP A 95 -2.434 -13.795 13.303 1.00 0.00 N ATOM 1494 CA ASP A 95 -1.997 -13.390 11.936 1.00 0.00 C ATOM 1495 C ASP A 95 -3.077 -12.526 11.278 1.00 0.00 C ATOM 1496 O ASP A 95 -4.200 -12.949 11.090 1.00 0.00 O ATOM 1497 CB ASP A 95 -1.813 -14.701 11.167 1.00 0.00 C ATOM 1498 CG ASP A 95 -1.378 -14.397 9.732 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -0.346 -13.770 9.567 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -2.086 -14.801 8.822 1.00 0.00 O ATOM 0 H ASP A 95 -2.496 -14.800 13.468 1.00 0.00 H new ATOM 0 HA ASP A 95 -1.080 -12.801 11.952 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.066 -15.322 11.661 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -2.745 -15.266 11.163 1.00 0.00 H new ATOM 1505 N ASP A 96 -2.733 -11.319 10.926 1.00 0.00 N ATOM 1506 CA ASP A 96 -3.719 -10.409 10.273 1.00 0.00 C ATOM 1507 C ASP A 96 -2.998 -9.172 9.730 1.00 0.00 C ATOM 1508 O ASP A 96 -1.817 -8.990 9.955 1.00 0.00 O ATOM 1509 CB ASP A 96 -4.708 -10.019 11.377 1.00 0.00 C ATOM 1510 CG ASP A 96 -3.955 -9.404 12.562 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -3.144 -8.521 12.333 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -4.207 -9.824 13.678 1.00 0.00 O ATOM 0 H ASP A 96 -1.805 -10.920 11.063 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.228 -10.882 9.433 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.436 -9.307 10.989 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.264 -10.897 11.705 1.00 0.00 H new ATOM 1517 N THR A 97 -3.696 -8.308 9.045 1.00 0.00 N ATOM 1518 CA THR A 97 -3.037 -7.077 8.529 1.00 0.00 C ATOM 1519 C THR A 97 -3.844 -5.846 8.945 1.00 0.00 C ATOM 1520 O THR A 97 -4.857 -5.525 8.355 1.00 0.00 O ATOM 1521 CB THR A 97 -3.033 -7.231 7.008 1.00 0.00 C ATOM 1522 OG1 THR A 97 -2.615 -8.546 6.667 1.00 0.00 O ATOM 1523 CG2 THR A 97 -2.072 -6.212 6.392 1.00 0.00 C ATOM 0 H THR A 97 -4.687 -8.401 8.822 1.00 0.00 H new ATOM 0 HA THR A 97 -2.028 -6.949 8.921 1.00 0.00 H new ATOM 0 HB THR A 97 -4.038 -7.058 6.623 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.614 -8.646 5.692 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.070 -6.323 5.308 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.394 -5.204 6.653 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.066 -6.382 6.776 1.00 0.00 H new ATOM 1531 N CYS A 98 -3.395 -5.152 9.956 1.00 0.00 N ATOM 1532 CA CYS A 98 -4.120 -3.934 10.415 1.00 0.00 C ATOM 1533 C CYS A 98 -3.115 -2.863 10.839 1.00 0.00 C ATOM 1534 O CYS A 98 -2.169 -3.140 11.549 1.00 0.00 O ATOM 1535 CB CYS A 98 -4.951 -4.393 11.613 1.00 0.00 C ATOM 1536 SG CYS A 98 -6.289 -3.211 11.909 1.00 0.00 S ATOM 0 H CYS A 98 -2.553 -5.378 10.486 1.00 0.00 H new ATOM 0 HA CYS A 98 -4.744 -3.501 9.633 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -5.363 -5.385 11.425 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.320 -4.473 12.498 1.00 0.00 H new ATOM 0 HG CYS A 98 -6.997 -3.603 12.926 1.00 0.00 H new ATOM 1542 N LEU A 99 -3.307 -1.645 10.414 1.00 0.00 N ATOM 1543 CA LEU A 99 -2.351 -0.571 10.805 1.00 0.00 C ATOM 1544 C LEU A 99 -3.089 0.742 11.081 1.00 0.00 C ATOM 1545 O LEU A 99 -3.735 1.295 10.213 1.00 0.00 O ATOM 1546 CB LEU A 99 -1.413 -0.421 9.610 1.00 0.00 C ATOM 1547 CG LEU A 99 -0.138 0.307 10.047 1.00 0.00 C ATOM 1548 CD1 LEU A 99 1.079 -0.344 9.384 1.00 0.00 C ATOM 1549 CD2 LEU A 99 -0.220 1.779 9.628 1.00 0.00 C ATOM 0 H LEU A 99 -4.079 -1.348 9.817 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.813 -0.819 11.720 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.163 -1.402 9.205 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.907 0.136 8.814 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.039 0.241 11.130 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.985 0.176 9.696 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.140 -1.391 9.683 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.980 -0.281 8.300 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.687 2.297 9.939 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.322 1.844 8.545 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.084 2.245 10.102 1.00 0.00 H new ATOM 1561 N MET A 100 -2.980 1.249 12.279 1.00 0.00 N ATOM 1562 CA MET A 100 -3.657 2.536 12.610 1.00 0.00 C ATOM 1563 C MET A 100 -2.603 3.592 12.944 1.00 0.00 C ATOM 1564 O MET A 100 -1.667 3.335 13.678 1.00 0.00 O ATOM 1565 CB MET A 100 -4.517 2.230 13.836 1.00 0.00 C ATOM 1566 CG MET A 100 -5.613 3.293 13.968 1.00 0.00 C ATOM 1567 SD MET A 100 -7.141 2.687 13.208 1.00 0.00 S ATOM 1568 CE MET A 100 -7.973 2.192 14.737 1.00 0.00 C ATOM 0 H MET A 100 -2.451 0.828 13.043 1.00 0.00 H new ATOM 0 HA MET A 100 -4.257 2.921 11.785 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.964 1.240 13.742 1.00 0.00 H new ATOM 0 HB3 MET A 100 -3.898 2.216 14.733 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.785 3.524 15.019 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.297 4.218 13.486 1.00 0.00 H new ATOM 0 HE1 MET A 100 -8.993 1.881 14.512 1.00 0.00 H new ATOM 0 HE2 MET A 100 -7.433 1.362 15.193 1.00 0.00 H new ATOM 0 HE3 MET A 100 -7.995 3.034 15.429 1.00 0.00 H new ATOM 1578 N VAL A 101 -2.739 4.775 12.413 1.00 0.00 N ATOM 1579 CA VAL A 101 -1.734 5.837 12.703 1.00 0.00 C ATOM 1580 C VAL A 101 -2.435 7.109 13.187 1.00 0.00 C ATOM 1581 O VAL A 101 -3.146 7.762 12.445 1.00 0.00 O ATOM 1582 CB VAL A 101 -1.029 6.073 11.365 1.00 0.00 C ATOM 1583 CG1 VAL A 101 -0.018 7.216 11.493 1.00 0.00 C ATOM 1584 CG2 VAL A 101 -0.296 4.795 10.951 1.00 0.00 C ATOM 0 H VAL A 101 -3.500 5.052 11.793 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.033 5.553 13.488 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.772 6.339 10.613 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.476 7.373 10.534 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.536 8.128 11.788 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.726 6.961 12.247 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.208 4.957 9.998 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.440 4.535 11.712 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.014 3.981 10.848 1.00 0.00 H new ATOM 1594 N LEU A 102 -2.236 7.468 14.428 1.00 0.00 N ATOM 1595 CA LEU A 102 -2.880 8.702 14.968 1.00 0.00 C ATOM 1596 C LEU A 102 -1.969 9.368 16.001 1.00 0.00 C ATOM 1597 O LEU A 102 -0.929 8.846 16.351 1.00 0.00 O ATOM 1598 CB LEU A 102 -4.193 8.238 15.615 1.00 0.00 C ATOM 1599 CG LEU A 102 -3.947 6.994 16.472 1.00 0.00 C ATOM 1600 CD1 LEU A 102 -4.941 6.974 17.634 1.00 0.00 C ATOM 1601 CD2 LEU A 102 -4.139 5.738 15.615 1.00 0.00 C ATOM 0 H LEU A 102 -1.654 6.959 15.093 1.00 0.00 H new ATOM 0 HA LEU A 102 -3.063 9.439 14.186 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.606 9.037 16.230 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.930 8.017 14.843 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.930 7.016 16.863 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.768 6.089 18.246 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.807 7.868 18.243 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.958 6.951 17.242 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.964 4.851 16.224 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.157 5.715 15.225 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.433 5.753 14.785 1.00 0.00 H new ATOM 1613 N GLN A 103 -2.351 10.516 16.496 1.00 0.00 N ATOM 1614 CA GLN A 103 -1.507 11.215 17.508 1.00 0.00 C ATOM 1615 C GLN A 103 -1.841 10.715 18.916 1.00 0.00 C ATOM 1616 O GLN A 103 -2.878 10.125 19.147 1.00 0.00 O ATOM 1617 CB GLN A 103 -1.862 12.695 17.368 1.00 0.00 C ATOM 1618 CG GLN A 103 -0.747 13.547 17.978 1.00 0.00 C ATOM 1619 CD GLN A 103 -1.119 15.028 17.889 1.00 0.00 C ATOM 1620 OE1 GLN A 103 -2.159 15.377 17.366 1.00 0.00 O ATOM 1621 NE2 GLN A 103 -0.308 15.922 18.384 1.00 0.00 N ATOM 0 H GLN A 103 -3.212 11.000 16.242 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.444 11.034 17.351 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -1.995 12.950 16.317 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -2.808 12.902 17.869 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.589 13.264 19.019 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.191 13.366 17.452 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.565 15.631 18.823 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.547 16.912 18.332 1.00 0.00 H new ATOM 1630 N SER A 104 -0.968 10.950 19.861 1.00 0.00 N ATOM 1631 CA SER A 104 -1.230 10.491 21.257 1.00 0.00 C ATOM 1632 C SER A 104 -2.412 11.261 21.852 1.00 0.00 C ATOM 1633 O SER A 104 -2.776 12.321 21.380 1.00 0.00 O ATOM 1634 CB SER A 104 0.054 10.801 22.026 1.00 0.00 C ATOM 1635 OG SER A 104 0.390 12.170 21.843 1.00 0.00 O ATOM 0 H SER A 104 -0.084 11.441 19.726 1.00 0.00 H new ATOM 0 HA SER A 104 -1.485 9.432 21.302 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.082 10.586 23.086 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.866 10.165 21.673 1.00 0.00 H new ATOM 0 HG SER A 104 1.212 12.374 22.336 1.00 0.00 H new ATOM 1641 N GLY A 105 -3.013 10.736 22.887 1.00 0.00 N ATOM 1642 CA GLY A 105 -4.170 11.435 23.515 1.00 0.00 C ATOM 1643 C GLY A 105 -5.459 11.053 22.786 1.00 0.00 C ATOM 1644 O GLY A 105 -6.393 11.830 22.710 1.00 0.00 O ATOM 0 H GLY A 105 -2.752 9.852 23.324 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.243 11.165 24.568 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.022 12.514 23.472 1.00 0.00 H new ATOM 1648 N GLN A 106 -5.519 9.864 22.249 1.00 0.00 N ATOM 1649 CA GLN A 106 -6.749 9.433 21.522 1.00 0.00 C ATOM 1650 C GLN A 106 -7.210 8.062 22.026 1.00 0.00 C ATOM 1651 O GLN A 106 -6.447 7.314 22.607 1.00 0.00 O ATOM 1652 CB GLN A 106 -6.334 9.351 20.052 1.00 0.00 C ATOM 1653 CG GLN A 106 -7.582 9.261 19.173 1.00 0.00 C ATOM 1654 CD GLN A 106 -7.200 9.523 17.716 1.00 0.00 C ATOM 1655 OE1 GLN A 106 -6.578 10.522 17.409 1.00 0.00 O ATOM 1656 NE2 GLN A 106 -7.548 8.665 16.797 1.00 0.00 N ATOM 0 H GLN A 106 -4.770 9.172 22.282 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.579 10.123 21.673 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -5.747 10.228 19.780 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.699 8.480 19.891 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.037 8.275 19.269 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.324 9.988 19.502 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.070 7.827 17.053 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.298 8.832 15.822 1.00 0.00 H new ATOM 1665 N SER A 107 -8.454 7.729 21.806 1.00 0.00 N ATOM 1666 CA SER A 107 -8.969 6.408 22.268 1.00 0.00 C ATOM 1667 C SER A 107 -9.899 5.803 21.213 1.00 0.00 C ATOM 1668 O SER A 107 -10.223 6.433 20.224 1.00 0.00 O ATOM 1669 CB SER A 107 -9.744 6.711 23.550 1.00 0.00 C ATOM 1670 OG SER A 107 -8.848 7.202 24.537 1.00 0.00 O ATOM 0 H SER A 107 -9.136 8.316 21.326 1.00 0.00 H new ATOM 0 HA SER A 107 -8.167 5.689 22.435 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.523 7.447 23.352 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.241 5.810 23.910 1.00 0.00 H new ATOM 0 HG SER A 107 -9.343 7.399 25.360 1.00 0.00 H new