USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 498 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 43 LYS NZ :NH3+ -172:sc= -0.573 (180deg=-0.711) USER MOD Single : A 50 ASN : amide:sc= -0.439 K(o=-0.44,f=-6!) USER MOD Single : A 54 SER OG : rot 94:sc= 0.0195 USER MOD Single : A 55 LYS NZ :NH3+ 130:sc= -0.0924 (180deg=-0.499) USER MOD Single : A 56 GLN : amide:sc= -0.397 K(o=-0.4,f=-3.8!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -164:sc= -0.0779 (180deg=-0.476) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 79 GLN : amide:sc= -0.0798 X(o=-0.08,f=-0.56) USER MOD Single : A 83 MET CE :methyl 159:sc= -0.209 (180deg=-0.863) USER MOD Single : A 88 GLN :FLIP amide:sc= -6.28! C(o=-11!,f=-6.3!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 544 N LEU A 35 3.407 0.204 5.746 1.00 0.00 N ATOM 545 CA LEU A 35 2.423 -0.552 4.983 1.00 0.00 C ATOM 546 C LEU A 35 1.273 -0.990 5.885 1.00 0.00 C ATOM 547 O LEU A 35 0.137 -1.137 5.434 1.00 0.00 O ATOM 548 CB LEU A 35 3.079 -1.776 4.338 1.00 0.00 C ATOM 549 CG LEU A 35 2.233 -2.484 3.277 1.00 0.00 C ATOM 550 CD1 LEU A 35 2.285 -1.727 1.958 1.00 0.00 C ATOM 551 CD2 LEU A 35 2.705 -3.916 3.088 1.00 0.00 C ATOM 0 HA LEU A 35 2.026 0.091 4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.020 -1.467 3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.324 -2.492 5.122 1.00 0.00 H new ATOM 0 HG LEU A 35 1.199 -2.504 3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.678 -2.246 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.898 -0.718 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.316 -1.674 1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.092 -4.404 2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.747 -3.916 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.615 -4.456 4.030 1.00 0.00 H new ATOM 563 N GLU A 36 1.582 -1.193 7.164 1.00 0.00 N ATOM 564 CA GLU A 36 0.585 -1.617 8.142 1.00 0.00 C ATOM 565 C GLU A 36 -0.586 -0.639 8.197 1.00 0.00 C ATOM 566 O GLU A 36 -1.739 -1.046 8.352 1.00 0.00 O ATOM 567 CB GLU A 36 1.224 -1.740 9.528 1.00 0.00 C ATOM 568 CG GLU A 36 0.250 -2.170 10.614 1.00 0.00 C ATOM 569 CD GLU A 36 0.903 -2.260 11.980 1.00 0.00 C ATOM 570 OE1 GLU A 36 0.976 -1.224 12.673 1.00 0.00 O ATOM 571 OE2 GLU A 36 1.342 -3.367 12.357 1.00 0.00 O ATOM 0 H GLU A 36 2.519 -1.070 7.547 1.00 0.00 H new ATOM 0 HA GLU A 36 0.204 -2.590 7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.041 -2.460 9.479 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.661 -0.780 9.803 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.577 -1.461 10.657 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.174 -3.140 10.353 1.00 0.00 H new ATOM 578 N GLU A 37 -0.284 0.649 8.070 1.00 0.00 N ATOM 579 CA GLU A 37 -1.312 1.684 8.108 1.00 0.00 C ATOM 580 C GLU A 37 -2.364 1.448 7.031 1.00 0.00 C ATOM 581 O GLU A 37 -3.559 1.626 7.267 1.00 0.00 O ATOM 582 CB GLU A 37 -0.681 3.067 7.931 1.00 0.00 C ATOM 583 CG GLU A 37 -1.690 4.203 7.939 1.00 0.00 C ATOM 584 CD GLU A 37 -1.032 5.566 7.853 1.00 0.00 C ATOM 585 OE1 GLU A 37 -0.736 6.012 6.725 1.00 0.00 O ATOM 586 OE2 GLU A 37 -0.814 6.189 8.914 1.00 0.00 O ATOM 0 H GLU A 37 0.664 1.001 7.940 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.801 1.639 9.081 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.044 3.231 8.728 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.131 3.088 6.990 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.376 4.081 7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.287 4.148 8.850 1.00 0.00 H new ATOM 593 N ILE A 38 -1.910 1.049 5.847 1.00 0.00 N ATOM 594 CA ILE A 38 -2.808 0.787 4.730 1.00 0.00 C ATOM 595 C ILE A 38 -3.834 -0.284 5.089 1.00 0.00 C ATOM 596 O ILE A 38 -5.041 -0.075 4.948 1.00 0.00 O ATOM 597 CB ILE A 38 -2.024 0.347 3.479 1.00 0.00 C ATOM 598 CG1 ILE A 38 -1.021 1.433 3.079 1.00 0.00 C ATOM 599 CG2 ILE A 38 -2.979 0.048 2.331 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.090 1.022 1.959 1.00 0.00 C ATOM 0 H ILE A 38 -0.923 0.900 5.637 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.330 1.718 4.511 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.474 -0.565 3.711 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.568 2.325 2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.427 1.705 3.951 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.409 -0.261 1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.659 -0.752 2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.553 0.943 2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.590 1.843 1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.485 0.148 2.266 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.674 0.779 1.071 1.00 0.00 H new ATOM 612 N ARG A 39 -3.348 -1.430 5.555 1.00 0.00 N ATOM 613 CA ARG A 39 -4.222 -2.534 5.935 1.00 0.00 C ATOM 614 C ARG A 39 -5.160 -2.129 7.063 1.00 0.00 C ATOM 615 O ARG A 39 -6.359 -1.994 6.853 1.00 0.00 O ATOM 616 CB ARG A 39 -3.397 -3.751 6.362 1.00 0.00 C ATOM 617 CG ARG A 39 -2.547 -4.334 5.246 1.00 0.00 C ATOM 618 CD ARG A 39 -1.065 -4.120 5.507 1.00 0.00 C ATOM 619 NE ARG A 39 -0.616 -4.812 6.712 1.00 0.00 N ATOM 620 CZ ARG A 39 0.536 -5.471 6.799 1.00 0.00 C ATOM 621 NH1 ARG A 39 1.355 -5.525 5.758 1.00 0.00 N ATOM 622 NH2 ARG A 39 0.872 -6.075 7.932 1.00 0.00 N ATOM 0 H ARG A 39 -2.353 -1.618 5.679 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.821 -2.796 5.063 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.748 -3.467 7.190 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.070 -4.523 6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.751 -5.401 5.151 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.821 -3.871 4.298 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.491 -4.474 4.651 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.865 -3.053 5.606 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.220 -4.789 7.534 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.103 -5.060 4.886 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.238 -6.031 5.829 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.247 -6.034 8.737 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.756 -6.580 7.998 1.00 0.00 H new ATOM 636 N GLU A 40 -4.602 -1.905 8.248 1.00 0.00 N ATOM 637 CA GLU A 40 -5.390 -1.535 9.425 1.00 0.00 C ATOM 638 C GLU A 40 -6.534 -0.579 9.084 1.00 0.00 C ATOM 639 O GLU A 40 -7.566 -0.581 9.748 1.00 0.00 O ATOM 640 CB GLU A 40 -4.487 -0.895 10.483 1.00 0.00 C ATOM 641 CG GLU A 40 -3.432 -1.837 11.039 1.00 0.00 C ATOM 642 CD GLU A 40 -4.035 -3.001 11.803 1.00 0.00 C ATOM 643 OE1 GLU A 40 -4.319 -4.041 11.172 1.00 0.00 O ATOM 644 OE2 GLU A 40 -4.222 -2.873 13.031 1.00 0.00 O ATOM 0 H GLU A 40 -3.599 -1.973 8.422 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.831 -2.452 9.815 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.992 -0.026 10.048 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.105 -0.532 11.304 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.824 -2.221 10.219 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.765 -1.281 11.698 1.00 0.00 H new ATOM 651 N ALA A 41 -6.357 0.223 8.043 1.00 0.00 N ATOM 652 CA ALA A 41 -7.379 1.183 7.641 1.00 0.00 C ATOM 653 C ALA A 41 -8.630 0.506 7.068 1.00 0.00 C ATOM 654 O ALA A 41 -9.630 0.321 7.769 1.00 0.00 O ATOM 655 CB ALA A 41 -6.804 2.164 6.630 1.00 0.00 C ATOM 0 H ALA A 41 -5.518 0.229 7.462 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.688 1.718 8.539 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.574 2.877 6.336 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.967 2.699 7.078 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.458 1.620 5.751 1.00 0.00 H new ATOM 661 N PHE A 42 -8.567 0.124 5.798 1.00 0.00 N ATOM 662 CA PHE A 42 -9.712 -0.489 5.126 1.00 0.00 C ATOM 663 C PHE A 42 -9.901 -1.953 5.514 1.00 0.00 C ATOM 664 O PHE A 42 -10.993 -2.502 5.365 1.00 0.00 O ATOM 665 CB PHE A 42 -9.554 -0.354 3.612 1.00 0.00 C ATOM 666 CG PHE A 42 -9.987 0.986 3.087 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.215 2.114 3.311 1.00 0.00 C ATOM 668 CD2 PHE A 42 -11.167 1.116 2.374 1.00 0.00 C ATOM 669 CE1 PHE A 42 -9.613 3.349 2.834 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.571 2.347 1.894 1.00 0.00 C ATOM 671 CZ PHE A 42 -10.793 3.465 2.124 1.00 0.00 C ATOM 0 H PHE A 42 -7.738 0.226 5.212 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.607 0.041 5.451 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.510 -0.521 3.346 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.136 -1.134 3.122 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.292 2.028 3.865 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -11.779 0.245 2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.003 4.221 3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.494 2.435 1.340 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.106 4.428 1.750 1.00 0.00 H new ATOM 681 N LYS A 43 -8.846 -2.580 6.012 1.00 0.00 N ATOM 682 CA LYS A 43 -8.915 -3.980 6.412 1.00 0.00 C ATOM 683 C LYS A 43 -9.850 -4.163 7.605 1.00 0.00 C ATOM 684 O LYS A 43 -10.612 -5.129 7.656 1.00 0.00 O ATOM 685 CB LYS A 43 -7.521 -4.517 6.744 1.00 0.00 C ATOM 686 CG LYS A 43 -7.321 -5.981 6.382 1.00 0.00 C ATOM 687 CD LYS A 43 -7.521 -6.230 4.891 1.00 0.00 C ATOM 688 CE LYS A 43 -6.577 -5.388 4.043 1.00 0.00 C ATOM 689 NZ LYS A 43 -6.775 -5.629 2.587 1.00 0.00 N ATOM 0 H LYS A 43 -7.934 -2.144 6.149 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.316 -4.548 5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.777 -3.918 6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.338 -4.389 7.811 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.317 -6.293 6.671 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.021 -6.594 6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.359 -7.286 4.674 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.552 -6.003 4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.737 -4.332 4.261 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.546 -5.617 4.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.028 -5.144 2.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.732 -6.650 2.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.704 -5.262 2.297 1.00 0.00 H new ATOM 703 N VAL A 44 -9.795 -3.239 8.568 1.00 0.00 N ATOM 704 CA VAL A 44 -10.661 -3.334 9.738 1.00 0.00 C ATOM 705 C VAL A 44 -12.114 -3.077 9.357 1.00 0.00 C ATOM 706 O VAL A 44 -13.025 -3.675 9.932 1.00 0.00 O ATOM 707 CB VAL A 44 -10.251 -2.360 10.861 1.00 0.00 C ATOM 708 CG1 VAL A 44 -8.841 -2.663 11.343 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.369 -0.918 10.398 1.00 0.00 C ATOM 0 H VAL A 44 -9.171 -2.432 8.560 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.551 -4.350 10.118 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.934 -2.499 11.699 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.570 -1.965 12.135 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.799 -3.682 11.727 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.142 -2.559 10.513 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.074 -0.251 11.208 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.717 -0.757 9.540 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.401 -0.710 10.114 1.00 0.00 H new ATOM 719 N PHE A 45 -12.335 -2.183 8.390 1.00 0.00 N ATOM 720 CA PHE A 45 -13.696 -1.885 7.945 1.00 0.00 C ATOM 721 C PHE A 45 -14.349 -3.136 7.364 1.00 0.00 C ATOM 722 O PHE A 45 -15.571 -3.210 7.239 1.00 0.00 O ATOM 723 CB PHE A 45 -13.708 -0.753 6.912 1.00 0.00 C ATOM 724 CG PHE A 45 -13.311 0.585 7.475 1.00 0.00 C ATOM 725 CD1 PHE A 45 -13.912 1.073 8.626 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.344 1.357 6.851 1.00 0.00 C ATOM 727 CE1 PHE A 45 -13.554 2.304 9.142 1.00 0.00 C ATOM 728 CE2 PHE A 45 -11.982 2.588 7.363 1.00 0.00 C ATOM 729 CZ PHE A 45 -12.587 3.062 8.512 1.00 0.00 C ATOM 0 H PHE A 45 -11.603 -1.662 7.908 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.268 -1.556 8.812 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.031 -1.010 6.097 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.707 -0.675 6.484 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -14.668 0.484 9.124 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -11.867 0.992 5.953 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.031 2.673 10.038 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.227 3.179 6.866 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.304 4.023 8.916 1.00 0.00 H new ATOM 739 N ASP A 46 -13.522 -4.118 7.011 1.00 0.00 N ATOM 740 CA ASP A 46 -14.014 -5.375 6.457 1.00 0.00 C ATOM 741 C ASP A 46 -14.551 -6.267 7.574 1.00 0.00 C ATOM 742 O ASP A 46 -13.785 -6.921 8.282 1.00 0.00 O ATOM 743 CB ASP A 46 -12.897 -6.094 5.697 1.00 0.00 C ATOM 744 CG ASP A 46 -13.372 -7.376 5.041 1.00 0.00 C ATOM 745 OD1 ASP A 46 -14.600 -7.545 4.886 1.00 0.00 O ATOM 746 OD2 ASP A 46 -12.516 -8.209 4.679 1.00 0.00 O ATOM 0 H ASP A 46 -12.507 -4.066 7.099 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.824 -5.157 5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.494 -5.428 4.935 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.083 -6.322 6.385 1.00 0.00 H new ATOM 751 N ARG A 47 -15.871 -6.286 7.721 1.00 0.00 N ATOM 752 CA ARG A 47 -16.520 -7.077 8.762 1.00 0.00 C ATOM 753 C ARG A 47 -16.359 -8.577 8.525 1.00 0.00 C ATOM 754 O ARG A 47 -16.189 -9.345 9.473 1.00 0.00 O ATOM 755 CB ARG A 47 -18.005 -6.721 8.840 1.00 0.00 C ATOM 756 CG ARG A 47 -18.271 -5.224 8.867 1.00 0.00 C ATOM 757 CD ARG A 47 -19.742 -4.928 9.105 1.00 0.00 C ATOM 758 NE ARG A 47 -20.598 -5.601 8.133 1.00 0.00 N ATOM 759 CZ ARG A 47 -21.922 -5.669 8.236 1.00 0.00 C ATOM 760 NH1 ARG A 47 -22.539 -5.111 9.269 1.00 0.00 N ATOM 761 NH2 ARG A 47 -22.629 -6.296 7.307 1.00 0.00 N ATOM 0 H ARG A 47 -16.516 -5.761 7.130 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.033 -6.837 9.707 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.520 -7.158 7.985 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.432 -7.174 9.735 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.673 -4.761 9.652 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -17.957 -4.780 7.923 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.017 -5.244 10.111 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -19.909 -3.852 9.052 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.155 -6.045 7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -21.998 -4.628 9.986 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.555 -5.164 9.346 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.158 -6.727 6.512 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.645 -6.347 7.387 1.00 0.00 H new ATOM 775 N ASP A 48 -16.414 -8.992 7.264 1.00 0.00 N ATOM 776 CA ASP A 48 -16.286 -10.406 6.924 1.00 0.00 C ATOM 777 C ASP A 48 -14.834 -10.863 6.982 1.00 0.00 C ATOM 778 O ASP A 48 -14.552 -12.058 7.079 1.00 0.00 O ATOM 779 CB ASP A 48 -16.858 -10.668 5.529 1.00 0.00 C ATOM 780 CG ASP A 48 -18.278 -10.160 5.382 1.00 0.00 C ATOM 781 OD1 ASP A 48 -19.215 -10.889 5.772 1.00 0.00 O ATOM 782 OD2 ASP A 48 -18.454 -9.032 4.875 1.00 0.00 O ATOM 0 H ASP A 48 -16.546 -8.374 6.464 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.851 -10.978 7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -16.224 -10.188 4.783 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -16.835 -11.739 5.325 1.00 0.00 H new ATOM 787 N GLY A 49 -13.916 -9.902 6.925 1.00 0.00 N ATOM 788 CA GLY A 49 -12.500 -10.217 6.980 1.00 0.00 C ATOM 789 C GLY A 49 -12.078 -11.235 5.938 1.00 0.00 C ATOM 790 O GLY A 49 -11.081 -11.934 6.117 1.00 0.00 O ATOM 0 H GLY A 49 -14.129 -8.908 6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.924 -9.302 6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.257 -10.598 7.972 1.00 0.00 H new ATOM 794 N ASN A 50 -12.833 -11.315 4.847 1.00 0.00 N ATOM 795 CA ASN A 50 -12.528 -12.257 3.774 1.00 0.00 C ATOM 796 C ASN A 50 -11.418 -11.719 2.878 1.00 0.00 C ATOM 797 O ASN A 50 -10.954 -12.405 1.967 1.00 0.00 O ATOM 798 CB ASN A 50 -13.780 -12.547 2.941 1.00 0.00 C ATOM 799 CG ASN A 50 -14.420 -11.288 2.385 1.00 0.00 C ATOM 800 OD1 ASN A 50 -14.285 -10.203 2.950 1.00 0.00 O ATOM 801 ND2 ASN A 50 -15.133 -11.429 1.272 1.00 0.00 N ATOM 0 H ASN A 50 -13.659 -10.740 4.682 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.185 -13.186 4.230 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.517 -13.210 2.117 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.506 -13.077 3.557 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -15.593 -10.620 0.855 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.220 -12.346 0.835 1.00 0.00 H new ATOM 808 N GLY A 51 -10.995 -10.488 3.149 1.00 0.00 N ATOM 809 CA GLY A 51 -9.943 -9.873 2.360 1.00 0.00 C ATOM 810 C GLY A 51 -10.482 -8.850 1.382 1.00 0.00 C ATOM 811 O GLY A 51 -9.742 -7.995 0.896 1.00 0.00 O ATOM 0 H GLY A 51 -11.362 -9.905 3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.226 -9.393 3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.403 -10.646 1.813 1.00 0.00 H new ATOM 815 N PHE A 52 -11.776 -8.939 1.094 1.00 0.00 N ATOM 816 CA PHE A 52 -12.423 -8.014 0.172 1.00 0.00 C ATOM 817 C PHE A 52 -13.489 -7.202 0.896 1.00 0.00 C ATOM 818 O PHE A 52 -14.246 -7.739 1.706 1.00 0.00 O ATOM 819 CB PHE A 52 -13.059 -8.771 -0.997 1.00 0.00 C ATOM 820 CG PHE A 52 -12.317 -10.014 -1.396 1.00 0.00 C ATOM 821 CD1 PHE A 52 -12.495 -11.197 -0.695 1.00 0.00 C ATOM 822 CD2 PHE A 52 -11.440 -9.999 -2.467 1.00 0.00 C ATOM 823 CE1 PHE A 52 -11.813 -12.342 -1.056 1.00 0.00 C ATOM 824 CE2 PHE A 52 -10.754 -11.143 -2.835 1.00 0.00 C ATOM 825 CZ PHE A 52 -10.941 -12.315 -2.127 1.00 0.00 C ATOM 0 H PHE A 52 -12.399 -9.645 1.487 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.662 -7.338 -0.218 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -14.081 -9.040 -0.729 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.120 -8.105 -1.858 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -13.175 -11.223 0.143 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.290 -9.084 -3.021 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.961 -13.257 -0.502 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.074 -11.120 -3.674 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.406 -13.209 -2.411 1.00 0.00 H new ATOM 835 N ILE A 53 -13.546 -5.911 0.601 1.00 0.00 N ATOM 836 CA ILE A 53 -14.521 -5.030 1.226 1.00 0.00 C ATOM 837 C ILE A 53 -15.703 -4.785 0.297 1.00 0.00 C ATOM 838 O ILE A 53 -15.561 -4.164 -0.757 1.00 0.00 O ATOM 839 CB ILE A 53 -13.881 -3.682 1.618 1.00 0.00 C ATOM 840 CG1 ILE A 53 -12.723 -3.912 2.591 1.00 0.00 C ATOM 841 CG2 ILE A 53 -14.918 -2.755 2.232 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.581 -2.938 2.408 1.00 0.00 C ATOM 0 H ILE A 53 -12.928 -5.451 -0.067 1.00 0.00 H new ATOM 0 HA ILE A 53 -14.877 -5.524 2.130 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.491 -3.207 0.718 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.096 -3.835 3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.348 -4.928 2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.447 -1.810 2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.714 -2.571 1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.338 -3.219 3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.795 -3.159 3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.182 -3.031 1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.941 -1.921 2.564 1.00 0.00 H new ATOM 854 N SER A 54 -16.870 -5.280 0.695 1.00 0.00 N ATOM 855 CA SER A 54 -18.079 -5.125 -0.106 1.00 0.00 C ATOM 856 C SER A 54 -18.479 -3.659 -0.222 1.00 0.00 C ATOM 857 O SER A 54 -17.906 -2.796 0.444 1.00 0.00 O ATOM 858 CB SER A 54 -19.226 -5.942 0.489 1.00 0.00 C ATOM 859 OG SER A 54 -18.975 -7.333 0.379 1.00 0.00 O ATOM 0 H SER A 54 -17.004 -5.792 1.567 1.00 0.00 H new ATOM 0 HA SER A 54 -17.865 -5.498 -1.108 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.360 -5.676 1.537 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.156 -5.696 -0.024 1.00 0.00 H new ATOM 0 HG SER A 54 -18.554 -7.656 1.203 1.00 0.00 H new ATOM 865 N LYS A 55 -19.464 -3.379 -1.070 1.00 0.00 N ATOM 866 CA LYS A 55 -19.931 -2.012 -1.276 1.00 0.00 C ATOM 867 C LYS A 55 -20.500 -1.419 0.011 1.00 0.00 C ATOM 868 O LYS A 55 -20.164 -0.295 0.389 1.00 0.00 O ATOM 869 CB LYS A 55 -20.993 -1.968 -2.379 1.00 0.00 C ATOM 870 CG LYS A 55 -20.481 -2.382 -3.751 1.00 0.00 C ATOM 871 CD LYS A 55 -20.510 -3.891 -3.938 1.00 0.00 C ATOM 872 CE LYS A 55 -21.930 -4.408 -4.091 1.00 0.00 C ATOM 873 NZ LYS A 55 -22.597 -3.850 -5.299 1.00 0.00 N ATOM 0 H LYS A 55 -19.954 -4.080 -1.625 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.072 -1.414 -1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -21.819 -2.621 -2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.394 -0.956 -2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -21.089 -1.909 -4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.461 -2.020 -3.882 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -19.927 -4.160 -4.819 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.037 -4.373 -3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -21.915 -5.496 -4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.508 -4.148 -3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -23.020 -4.624 -5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -23.342 -3.185 -5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.896 -3.351 -5.883 1.00 0.00 H new ATOM 887 N GLN A 56 -21.357 -2.182 0.681 1.00 0.00 N ATOM 888 CA GLN A 56 -21.980 -1.727 1.920 1.00 0.00 C ATOM 889 C GLN A 56 -20.939 -1.490 3.009 1.00 0.00 C ATOM 890 O GLN A 56 -21.132 -0.655 3.893 1.00 0.00 O ATOM 891 CB GLN A 56 -23.018 -2.744 2.400 1.00 0.00 C ATOM 892 CG GLN A 56 -24.257 -2.818 1.521 1.00 0.00 C ATOM 893 CD GLN A 56 -23.986 -3.460 0.174 1.00 0.00 C ATOM 894 OE1 GLN A 56 -23.128 -4.335 0.051 1.00 0.00 O ATOM 895 NE2 GLN A 56 -24.718 -3.027 -0.846 1.00 0.00 N ATOM 0 H GLN A 56 -21.636 -3.118 0.388 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.478 -0.779 1.714 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.555 -3.730 2.442 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.319 -2.490 3.416 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -25.031 -3.385 2.039 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -24.648 -1.812 1.367 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -25.418 -2.300 -0.699 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -24.580 -3.421 -1.776 1.00 0.00 H new ATOM 904 N GLU A 57 -19.834 -2.226 2.939 1.00 0.00 N ATOM 905 CA GLU A 57 -18.763 -2.093 3.922 1.00 0.00 C ATOM 906 C GLU A 57 -17.931 -0.841 3.654 1.00 0.00 C ATOM 907 O GLU A 57 -17.702 -0.028 4.554 1.00 0.00 O ATOM 908 CB GLU A 57 -17.869 -3.333 3.900 1.00 0.00 C ATOM 909 CG GLU A 57 -18.592 -4.612 4.290 1.00 0.00 C ATOM 910 CD GLU A 57 -17.721 -5.845 4.145 1.00 0.00 C ATOM 911 OE1 GLU A 57 -16.863 -6.073 5.023 1.00 0.00 O ATOM 912 OE2 GLU A 57 -17.898 -6.583 3.154 1.00 0.00 O ATOM 0 H GLU A 57 -19.656 -2.920 2.213 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.216 -1.999 4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.452 -3.452 2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.030 -3.178 4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -18.932 -4.532 5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.481 -4.725 3.670 1.00 0.00 H new ATOM 919 N LEU A 58 -17.481 -0.688 2.413 1.00 0.00 N ATOM 920 CA LEU A 58 -16.681 0.468 2.034 1.00 0.00 C ATOM 921 C LEU A 58 -17.502 1.743 2.178 1.00 0.00 C ATOM 922 O LEU A 58 -16.956 2.842 2.264 1.00 0.00 O ATOM 923 CB LEU A 58 -16.169 0.327 0.598 1.00 0.00 C ATOM 924 CG LEU A 58 -15.039 1.288 0.220 1.00 0.00 C ATOM 925 CD1 LEU A 58 -13.823 0.516 -0.267 1.00 0.00 C ATOM 926 CD2 LEU A 58 -15.506 2.274 -0.838 1.00 0.00 C ATOM 0 H LEU A 58 -17.657 -1.348 1.656 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.820 0.524 2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -15.822 -0.696 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.003 0.482 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.755 1.851 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.030 1.215 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -13.473 -0.148 0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.093 -0.074 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.688 2.948 -1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -15.819 1.730 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -16.346 2.852 -0.452 1.00 0.00 H new ATOM 938 N GLY A 59 -18.823 1.580 2.206 1.00 0.00 N ATOM 939 CA GLY A 59 -19.710 2.718 2.355 1.00 0.00 C ATOM 940 C GLY A 59 -19.582 3.347 3.725 1.00 0.00 C ATOM 941 O GLY A 59 -19.959 4.502 3.928 1.00 0.00 O ATOM 0 H GLY A 59 -19.294 0.678 2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.482 3.460 1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -20.740 2.401 2.194 1.00 0.00 H new ATOM 945 N THR A 60 -19.045 2.579 4.670 1.00 0.00 N ATOM 946 CA THR A 60 -18.846 3.060 6.029 1.00 0.00 C ATOM 947 C THR A 60 -17.472 3.703 6.150 1.00 0.00 C ATOM 948 O THR A 60 -17.230 4.532 7.028 1.00 0.00 O ATOM 949 CB THR A 60 -18.972 1.917 7.057 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.223 1.241 6.887 1.00 0.00 O ATOM 951 CG2 THR A 60 -18.872 2.449 8.480 1.00 0.00 C ATOM 0 H THR A 60 -18.740 1.618 4.516 1.00 0.00 H new ATOM 0 HA THR A 60 -19.622 3.796 6.242 1.00 0.00 H new ATOM 0 HB THR A 60 -18.152 1.219 6.888 1.00 0.00 H new ATOM 0 HG1 THR A 60 -20.295 0.516 7.542 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.964 1.623 9.185 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.908 2.938 8.619 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.672 3.167 8.657 1.00 0.00 H new ATOM 959 N ALA A 61 -16.573 3.303 5.256 1.00 0.00 N ATOM 960 CA ALA A 61 -15.219 3.843 5.234 1.00 0.00 C ATOM 961 C ALA A 61 -15.194 5.232 4.604 1.00 0.00 C ATOM 962 O ALA A 61 -14.477 6.121 5.063 1.00 0.00 O ATOM 963 CB ALA A 61 -14.293 2.905 4.474 1.00 0.00 C ATOM 0 H ALA A 61 -16.759 2.605 4.536 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.871 3.931 6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.285 3.318 4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.281 1.931 4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.649 2.793 3.450 1.00 0.00 H new ATOM 969 N MET A 62 -15.982 5.410 3.546 1.00 0.00 N ATOM 970 CA MET A 62 -16.051 6.688 2.843 1.00 0.00 C ATOM 971 C MET A 62 -16.712 7.765 3.698 1.00 0.00 C ATOM 972 O MET A 62 -16.234 8.898 3.759 1.00 0.00 O ATOM 973 CB MET A 62 -16.818 6.528 1.529 1.00 0.00 C ATOM 974 CG MET A 62 -16.206 5.506 0.584 1.00 0.00 C ATOM 975 SD MET A 62 -14.530 5.940 0.079 1.00 0.00 S ATOM 976 CE MET A 62 -14.829 7.451 -0.838 1.00 0.00 C ATOM 0 H MET A 62 -16.583 4.683 3.156 1.00 0.00 H new ATOM 0 HA MET A 62 -15.029 7.003 2.632 1.00 0.00 H new ATOM 0 HB2 MET A 62 -17.844 6.235 1.751 1.00 0.00 H new ATOM 0 HB3 MET A 62 -16.864 7.494 1.025 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.193 4.530 1.070 1.00 0.00 H new ATOM 0 HG3 MET A 62 -16.835 5.413 -0.301 1.00 0.00 H new ATOM 0 HE1 MET A 62 -13.955 7.687 -1.445 1.00 0.00 H new ATOM 0 HE2 MET A 62 -15.696 7.318 -1.486 1.00 0.00 H new ATOM 0 HE3 MET A 62 -15.018 8.268 -0.142 1.00 0.00 H new ATOM 986 N ARG A 63 -17.818 7.411 4.352 1.00 0.00 N ATOM 987 CA ARG A 63 -18.539 8.362 5.194 1.00 0.00 C ATOM 988 C ARG A 63 -17.622 8.946 6.262 1.00 0.00 C ATOM 989 O ARG A 63 -17.817 10.076 6.708 1.00 0.00 O ATOM 990 CB ARG A 63 -19.753 7.695 5.847 1.00 0.00 C ATOM 991 CG ARG A 63 -19.394 6.607 6.844 1.00 0.00 C ATOM 992 CD ARG A 63 -20.628 6.082 7.561 1.00 0.00 C ATOM 993 NE ARG A 63 -21.361 7.148 8.239 1.00 0.00 N ATOM 994 CZ ARG A 63 -22.375 6.933 9.072 1.00 0.00 C ATOM 995 NH1 ARG A 63 -22.777 5.696 9.331 1.00 0.00 N ATOM 996 NH2 ARG A 63 -22.989 7.958 9.648 1.00 0.00 N ATOM 0 H ARG A 63 -18.231 6.479 4.315 1.00 0.00 H new ATOM 0 HA ARG A 63 -18.889 9.175 4.558 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.346 8.457 6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -20.383 7.267 5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -18.896 5.787 6.326 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -18.687 7.000 7.574 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -21.284 5.591 6.842 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -20.331 5.327 8.289 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.079 8.112 8.064 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -22.308 4.905 8.891 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -23.555 5.536 9.971 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -22.683 8.911 9.452 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -23.767 7.793 10.287 1.00 0.00 H new ATOM 1010 N SER A 64 -16.626 8.166 6.673 1.00 0.00 N ATOM 1011 CA SER A 64 -15.673 8.618 7.679 1.00 0.00 C ATOM 1012 C SER A 64 -14.934 9.856 7.187 1.00 0.00 C ATOM 1013 O SER A 64 -14.650 10.772 7.958 1.00 0.00 O ATOM 1014 CB SER A 64 -14.674 7.508 8.010 1.00 0.00 C ATOM 1015 OG SER A 64 -13.731 7.943 8.974 1.00 0.00 O ATOM 0 H SER A 64 -16.459 7.222 6.326 1.00 0.00 H new ATOM 0 HA SER A 64 -16.224 8.872 8.585 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.207 6.635 8.386 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.155 7.199 7.103 1.00 0.00 H new ATOM 0 HG SER A 64 -13.104 7.216 9.170 1.00 0.00 H new ATOM 1021 N LEU A 65 -14.623 9.872 5.894 1.00 0.00 N ATOM 1022 CA LEU A 65 -13.921 10.997 5.291 1.00 0.00 C ATOM 1023 C LEU A 65 -14.862 12.181 5.096 1.00 0.00 C ATOM 1024 O LEU A 65 -14.422 13.324 4.973 1.00 0.00 O ATOM 1025 CB LEU A 65 -13.323 10.582 3.945 1.00 0.00 C ATOM 1026 CG LEU A 65 -12.665 9.200 3.925 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -12.182 8.859 2.525 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.511 9.141 4.918 1.00 0.00 C ATOM 0 H LEU A 65 -14.847 9.118 5.245 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.118 11.300 5.964 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.112 10.603 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.582 11.325 3.650 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.410 8.462 4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.717 7.873 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.029 8.857 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.453 9.602 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.056 8.151 4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.765 9.891 4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.885 9.339 5.923 1.00 0.00 H new ATOM 1040 N GLY A 66 -16.161 11.897 5.070 1.00 0.00 N ATOM 1041 CA GLY A 66 -17.150 12.946 4.897 1.00 0.00 C ATOM 1042 C GLY A 66 -17.966 12.770 3.631 1.00 0.00 C ATOM 1043 O GLY A 66 -18.558 13.725 3.127 1.00 0.00 O ATOM 0 H GLY A 66 -16.547 10.958 5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.818 12.957 5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.648 13.913 4.871 1.00 0.00 H new ATOM 1047 N TYR A 67 -17.998 11.543 3.118 1.00 0.00 N ATOM 1048 CA TYR A 67 -18.752 11.234 1.908 1.00 0.00 C ATOM 1049 C TYR A 67 -19.792 10.157 2.189 1.00 0.00 C ATOM 1050 O TYR A 67 -19.449 8.997 2.412 1.00 0.00 O ATOM 1051 CB TYR A 67 -17.811 10.768 0.796 1.00 0.00 C ATOM 1052 CG TYR A 67 -16.773 11.795 0.403 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -15.539 11.843 1.040 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -17.026 12.715 -0.607 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -14.588 12.778 0.682 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -16.080 13.652 -0.972 1.00 0.00 C ATOM 1057 CZ TYR A 67 -14.862 13.681 -0.324 1.00 0.00 C ATOM 1058 OH TYR A 67 -13.916 14.613 -0.686 1.00 0.00 O ATOM 0 H TYR A 67 -17.509 10.745 3.523 1.00 0.00 H new ATOM 0 HA TYR A 67 -19.262 12.141 1.583 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -17.304 9.859 1.119 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -18.402 10.509 -0.082 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -15.320 11.138 1.828 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -17.979 12.697 -1.115 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -13.634 12.802 1.187 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -16.292 14.359 -1.761 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.268 15.172 -1.410 1.00 0.00 H new ATOM 1068 N MET A 68 -21.063 10.547 2.173 1.00 0.00 N ATOM 1069 CA MET A 68 -22.155 9.615 2.438 1.00 0.00 C ATOM 1070 C MET A 68 -22.792 9.117 1.138 1.00 0.00 C ATOM 1071 O MET A 68 -23.591 9.824 0.522 1.00 0.00 O ATOM 1072 CB MET A 68 -23.215 10.287 3.316 1.00 0.00 C ATOM 1073 CG MET A 68 -23.545 11.710 2.892 1.00 0.00 C ATOM 1074 SD MET A 68 -24.723 12.510 3.996 1.00 0.00 S ATOM 1075 CE MET A 68 -24.768 14.162 3.305 1.00 0.00 C ATOM 0 H MET A 68 -21.363 11.503 1.979 1.00 0.00 H new ATOM 0 HA MET A 68 -21.742 8.753 2.962 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.126 9.689 3.292 1.00 0.00 H new ATOM 0 HB3 MET A 68 -22.867 10.296 4.349 1.00 0.00 H new ATOM 0 HG2 MET A 68 -22.627 12.297 2.860 1.00 0.00 H new ATOM 0 HG3 MET A 68 -23.951 11.698 1.881 1.00 0.00 H new ATOM 0 HE1 MET A 68 -25.456 14.779 3.882 1.00 0.00 H new ATOM 0 HE2 MET A 68 -23.770 14.599 3.342 1.00 0.00 H new ATOM 0 HE3 MET A 68 -25.105 14.114 2.269 1.00 0.00 H new ATOM 1085 N PRO A 69 -22.448 7.888 0.697 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.993 7.306 -0.526 1.00 0.00 C ATOM 1087 C PRO A 69 -24.295 6.551 -0.278 1.00 0.00 C ATOM 1088 O PRO A 69 -24.459 5.899 0.754 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.890 6.342 -0.944 1.00 0.00 C ATOM 1090 CG PRO A 69 -21.322 5.850 0.346 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.494 6.968 1.349 1.00 0.00 C ATOM 0 HA PRO A 69 -23.244 8.058 -1.274 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -22.285 5.522 -1.543 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -21.132 6.842 -1.547 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.838 4.949 0.678 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -20.269 5.591 0.232 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.882 6.597 2.298 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.546 7.462 1.563 1.00 0.00 H new ATOM 1099 N ASN A 70 -25.217 6.640 -1.231 1.00 0.00 N ATOM 1100 CA ASN A 70 -26.502 5.962 -1.116 1.00 0.00 C ATOM 1101 C ASN A 70 -26.390 4.511 -1.569 1.00 0.00 C ATOM 1102 O ASN A 70 -25.296 4.023 -1.846 1.00 0.00 O ATOM 1103 CB ASN A 70 -27.567 6.687 -1.939 1.00 0.00 C ATOM 1104 CG ASN A 70 -27.758 8.126 -1.501 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -27.013 9.036 -2.117 1.00 0.00 O flip ATOM 1106 ND2 ASN A 70 -28.567 8.417 -0.620 1.00 0.00 N flip ATOM 0 H ASN A 70 -25.098 7.175 -2.091 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.799 5.976 -0.067 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -27.285 6.665 -2.992 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -28.514 6.155 -1.851 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -29.119 7.685 -0.173 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -28.685 9.390 -0.337 1.00 0.00 H new ATOM 1113 N GLU A 71 -27.526 3.828 -1.644 1.00 0.00 N ATOM 1114 CA GLU A 71 -27.553 2.429 -2.060 1.00 0.00 C ATOM 1115 C GLU A 71 -27.049 2.262 -3.493 1.00 0.00 C ATOM 1116 O GLU A 71 -26.432 1.251 -3.827 1.00 0.00 O ATOM 1117 CB GLU A 71 -28.972 1.872 -1.940 1.00 0.00 C ATOM 1118 CG GLU A 71 -30.009 2.669 -2.716 1.00 0.00 C ATOM 1119 CD GLU A 71 -31.397 2.067 -2.623 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -32.092 2.328 -1.618 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -31.791 1.336 -3.557 1.00 0.00 O ATOM 0 H GLU A 71 -28.441 4.219 -1.422 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.887 1.872 -1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -28.979 0.841 -2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -29.256 1.850 -0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -30.034 3.691 -2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -29.710 2.724 -3.763 1.00 0.00 H new ATOM 1128 N VAL A 72 -27.315 3.256 -4.334 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.897 3.208 -5.731 1.00 0.00 C ATOM 1130 C VAL A 72 -25.508 3.814 -5.928 1.00 0.00 C ATOM 1131 O VAL A 72 -24.809 3.490 -6.889 1.00 0.00 O ATOM 1132 CB VAL A 72 -27.902 3.947 -6.639 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -27.990 5.417 -6.258 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -27.521 3.790 -8.105 1.00 0.00 C ATOM 0 H VAL A 72 -27.818 4.104 -4.073 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.863 2.155 -6.009 1.00 0.00 H new ATOM 0 HB VAL A 72 -28.885 3.499 -6.495 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -28.704 5.920 -6.910 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -28.320 5.505 -5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -27.010 5.881 -6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -28.243 4.319 -8.727 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -26.527 4.206 -8.269 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -27.520 2.733 -8.369 1.00 0.00 H new ATOM 1144 N GLU A 73 -25.109 4.687 -5.010 1.00 0.00 N ATOM 1145 CA GLU A 73 -23.810 5.347 -5.097 1.00 0.00 C ATOM 1146 C GLU A 73 -22.661 4.370 -4.849 1.00 0.00 C ATOM 1147 O GLU A 73 -21.724 4.295 -5.641 1.00 0.00 O ATOM 1148 CB GLU A 73 -23.737 6.503 -4.101 1.00 0.00 C ATOM 1149 CG GLU A 73 -24.769 7.589 -4.356 1.00 0.00 C ATOM 1150 CD GLU A 73 -24.619 8.229 -5.723 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -25.226 7.719 -6.689 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -23.893 9.240 -5.828 1.00 0.00 O ATOM 0 H GLU A 73 -25.665 4.954 -4.198 1.00 0.00 H new ATOM 0 HA GLU A 73 -23.705 5.735 -6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -23.874 6.112 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -22.741 6.943 -4.140 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -25.768 7.163 -4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -24.680 8.357 -3.588 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.737 3.622 -3.751 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.687 2.663 -3.409 1.00 0.00 C ATOM 1161 C LEU A 74 -21.463 1.648 -4.529 1.00 0.00 C ATOM 1162 O LEU A 74 -20.461 0.932 -4.533 1.00 0.00 O ATOM 1163 CB LEU A 74 -22.017 1.943 -2.096 1.00 0.00 C ATOM 1164 CG LEU A 74 -23.467 1.477 -1.937 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.740 0.249 -2.791 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.768 1.186 -0.475 1.00 0.00 C ATOM 0 H LEU A 74 -23.509 3.660 -3.086 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.762 3.225 -3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.364 1.075 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.777 2.610 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 74 -24.123 2.278 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.776 -0.062 -2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.562 0.488 -3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.077 -0.561 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.802 0.856 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.100 0.403 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.618 2.090 0.114 1.00 0.00 H new ATOM 1178 N GLU A 75 -22.394 1.590 -5.476 1.00 0.00 N ATOM 1179 CA GLU A 75 -22.290 0.658 -6.592 1.00 0.00 C ATOM 1180 C GLU A 75 -21.408 1.217 -7.707 1.00 0.00 C ATOM 1181 O GLU A 75 -20.713 0.466 -8.394 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.679 0.331 -7.143 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.554 -0.437 -6.168 1.00 0.00 C ATOM 1184 CD GLU A 75 -25.904 -0.798 -6.757 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -25.983 -1.812 -7.482 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -26.881 -0.065 -6.494 1.00 0.00 O ATOM 0 H GLU A 75 -23.228 2.177 -5.492 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.826 -0.255 -6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -24.181 1.260 -7.415 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.570 -0.252 -8.058 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -24.039 -1.348 -5.863 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -24.702 0.161 -5.269 1.00 0.00 H new ATOM 1193 N VAL A 76 -21.436 2.537 -7.886 1.00 0.00 N ATOM 1194 CA VAL A 76 -20.641 3.178 -8.931 1.00 0.00 C ATOM 1195 C VAL A 76 -19.243 3.542 -8.439 1.00 0.00 C ATOM 1196 O VAL A 76 -18.313 3.677 -9.234 1.00 0.00 O ATOM 1197 CB VAL A 76 -21.331 4.445 -9.476 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -22.670 4.093 -10.106 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -21.510 5.481 -8.376 1.00 0.00 C ATOM 0 H VAL A 76 -21.996 3.179 -7.325 1.00 0.00 H new ATOM 0 HA VAL A 76 -20.552 2.448 -9.735 1.00 0.00 H new ATOM 0 HB VAL A 76 -20.691 4.877 -10.245 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -23.143 4.999 -10.485 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -22.513 3.394 -10.928 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -23.315 3.633 -9.357 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -21.999 6.365 -8.785 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -22.125 5.063 -7.579 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.535 5.758 -7.975 1.00 0.00 H new ATOM 1209 N ILE A 77 -19.102 3.713 -7.131 1.00 0.00 N ATOM 1210 CA ILE A 77 -17.813 4.061 -6.542 1.00 0.00 C ATOM 1211 C ILE A 77 -16.926 2.829 -6.373 1.00 0.00 C ATOM 1212 O ILE A 77 -15.700 2.926 -6.402 1.00 0.00 O ATOM 1213 CB ILE A 77 -18.003 4.753 -5.177 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -18.831 6.027 -5.350 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -16.656 5.075 -4.544 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -19.841 6.245 -4.248 1.00 0.00 C ATOM 0 H ILE A 77 -19.862 3.617 -6.458 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.320 4.751 -7.227 1.00 0.00 H new ATOM 0 HB ILE A 77 -18.535 4.073 -4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -18.159 6.884 -5.391 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -19.352 5.985 -6.306 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.813 5.563 -3.582 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -16.094 4.153 -4.396 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -16.095 5.740 -5.201 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -20.392 7.167 -4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -20.536 5.406 -4.221 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -19.325 6.320 -3.291 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.554 1.669 -6.205 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.824 0.421 -6.019 1.00 0.00 C ATOM 1230 C ILE A 78 -16.384 -0.184 -7.352 1.00 0.00 C ATOM 1231 O ILE A 78 -15.414 -0.940 -7.404 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.671 -0.607 -5.232 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.701 -0.231 -3.746 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -17.143 -2.029 -5.420 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.362 -0.372 -3.054 1.00 0.00 C ATOM 0 H ILE A 78 -18.569 1.568 -6.194 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.931 0.661 -5.442 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.687 -0.583 -5.625 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -18.044 0.799 -3.648 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.431 -0.860 -3.236 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -17.762 -2.725 -4.853 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -17.176 -2.293 -6.477 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -16.114 -2.085 -5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.462 -0.088 -2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -16.026 -1.407 -3.119 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.632 0.278 -3.537 1.00 0.00 H new ATOM 1247 N GLN A 79 -17.077 0.163 -8.433 1.00 0.00 N ATOM 1248 CA GLN A 79 -16.738 -0.376 -9.747 1.00 0.00 C ATOM 1249 C GLN A 79 -15.503 0.310 -10.317 1.00 0.00 C ATOM 1250 O GLN A 79 -14.825 -0.239 -11.187 1.00 0.00 O ATOM 1251 CB GLN A 79 -17.916 -0.227 -10.712 1.00 0.00 C ATOM 1252 CG GLN A 79 -18.335 1.214 -10.947 1.00 0.00 C ATOM 1253 CD GLN A 79 -19.404 1.341 -12.013 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -20.218 0.438 -12.205 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -19.406 2.468 -12.717 1.00 0.00 N ATOM 0 H GLN A 79 -17.868 0.807 -8.427 1.00 0.00 H new ATOM 0 HA GLN A 79 -16.517 -1.436 -9.626 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.651 -0.679 -11.668 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.767 -0.784 -10.321 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.705 1.638 -10.014 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -17.463 1.799 -11.240 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.713 3.191 -12.524 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -20.101 2.610 -13.450 1.00 0.00 H new ATOM 1264 N ARG A 80 -15.212 1.510 -9.825 1.00 0.00 N ATOM 1265 CA ARG A 80 -14.050 2.261 -10.286 1.00 0.00 C ATOM 1266 C ARG A 80 -12.767 1.553 -9.871 1.00 0.00 C ATOM 1267 O ARG A 80 -11.862 1.354 -10.683 1.00 0.00 O ATOM 1268 CB ARG A 80 -14.069 3.679 -9.711 1.00 0.00 C ATOM 1269 CG ARG A 80 -15.313 4.473 -10.074 1.00 0.00 C ATOM 1270 CD ARG A 80 -15.338 4.833 -11.552 1.00 0.00 C ATOM 1271 NE ARG A 80 -16.526 5.607 -11.904 1.00 0.00 N ATOM 1272 CZ ARG A 80 -16.633 6.330 -13.015 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -15.627 6.380 -13.878 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -17.749 7.005 -13.264 1.00 0.00 N ATOM 0 H ARG A 80 -15.764 1.982 -9.109 1.00 0.00 H new ATOM 0 HA ARG A 80 -14.087 2.321 -11.374 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.990 3.622 -8.625 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.190 4.217 -10.066 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -16.201 3.892 -9.826 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.351 5.384 -9.477 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.445 5.406 -11.801 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.309 3.921 -12.148 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.318 5.592 -11.261 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.768 5.863 -13.690 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.712 6.936 -14.729 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -18.525 6.969 -12.603 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -17.830 7.559 -14.116 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.697 1.179 -8.598 1.00 0.00 N ATOM 1289 CA LEU A 81 -11.533 0.487 -8.062 1.00 0.00 C ATOM 1290 C LEU A 81 -11.539 -0.979 -8.484 1.00 0.00 C ATOM 1291 O LEU A 81 -10.494 -1.553 -8.791 1.00 0.00 O ATOM 1292 CB LEU A 81 -11.503 0.590 -6.533 1.00 0.00 C ATOM 1293 CG LEU A 81 -11.248 1.992 -5.971 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -12.457 2.891 -6.186 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -10.897 1.914 -4.493 1.00 0.00 C ATOM 0 H LEU A 81 -13.437 1.345 -7.916 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.640 0.964 -8.464 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.455 0.229 -6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.730 -0.080 -6.156 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.404 2.426 -6.507 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.251 3.881 -5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.664 2.974 -7.253 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.323 2.463 -5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.719 2.918 -4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.722 1.457 -3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.998 1.311 -4.364 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.728 -1.579 -8.493 1.00 0.00 N ATOM 1308 CA ASP A 82 -12.881 -2.977 -8.880 1.00 0.00 C ATOM 1309 C ASP A 82 -12.684 -3.149 -10.384 1.00 0.00 C ATOM 1310 O ASP A 82 -13.649 -3.237 -11.143 1.00 0.00 O ATOM 1311 CB ASP A 82 -14.263 -3.490 -8.468 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.480 -4.941 -8.846 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.708 -5.800 -8.370 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -15.425 -5.217 -9.612 1.00 0.00 O ATOM 0 H ASP A 82 -13.600 -1.116 -8.236 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.117 -3.560 -8.365 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.383 -3.377 -7.390 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.030 -2.876 -8.940 1.00 0.00 H new ATOM 1319 N MET A 83 -11.424 -3.194 -10.807 1.00 0.00 N ATOM 1320 CA MET A 83 -11.092 -3.350 -12.219 1.00 0.00 C ATOM 1321 C MET A 83 -11.191 -4.812 -12.653 1.00 0.00 C ATOM 1322 O MET A 83 -11.625 -5.107 -13.767 1.00 0.00 O ATOM 1323 CB MET A 83 -9.680 -2.824 -12.491 1.00 0.00 C ATOM 1324 CG MET A 83 -9.436 -1.421 -11.958 1.00 0.00 C ATOM 1325 SD MET A 83 -7.804 -0.786 -12.391 1.00 0.00 S ATOM 1326 CE MET A 83 -7.913 -0.757 -14.179 1.00 0.00 C ATOM 0 H MET A 83 -10.615 -3.124 -10.190 1.00 0.00 H new ATOM 0 HA MET A 83 -11.812 -2.771 -12.798 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.956 -3.504 -12.042 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.500 -2.831 -13.566 1.00 0.00 H new ATOM 0 HG2 MET A 83 -10.199 -0.749 -12.352 1.00 0.00 H new ATOM 0 HG3 MET A 83 -9.544 -1.425 -10.873 1.00 0.00 H new ATOM 0 HE1 MET A 83 -7.170 -0.066 -14.578 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.726 -1.757 -14.571 1.00 0.00 H new ATOM 0 HE3 MET A 83 -8.909 -0.431 -14.478 1.00 0.00 H new ATOM 1336 N ASP A 84 -10.782 -5.721 -11.771 1.00 0.00 N ATOM 1337 CA ASP A 84 -10.819 -7.149 -12.072 1.00 0.00 C ATOM 1338 C ASP A 84 -12.253 -7.660 -12.171 1.00 0.00 C ATOM 1339 O ASP A 84 -12.508 -8.709 -12.763 1.00 0.00 O ATOM 1340 CB ASP A 84 -10.070 -7.943 -10.998 1.00 0.00 C ATOM 1341 CG ASP A 84 -8.931 -7.158 -10.380 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -7.873 -7.033 -11.031 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -9.098 -6.669 -9.243 1.00 0.00 O ATOM 0 H ASP A 84 -10.422 -5.494 -10.844 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.332 -7.292 -13.037 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.769 -8.238 -10.216 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.678 -8.860 -11.437 1.00 0.00 H new ATOM 1348 N GLY A 85 -13.187 -6.915 -11.587 1.00 0.00 N ATOM 1349 CA GLY A 85 -14.581 -7.314 -11.626 1.00 0.00 C ATOM 1350 C GLY A 85 -14.903 -8.402 -10.620 1.00 0.00 C ATOM 1351 O GLY A 85 -15.750 -9.258 -10.874 1.00 0.00 O ATOM 0 H GLY A 85 -13.003 -6.044 -11.089 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.210 -6.445 -11.430 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.827 -7.666 -12.628 1.00 0.00 H new ATOM 1355 N ASP A 86 -14.233 -8.366 -9.472 1.00 0.00 N ATOM 1356 CA ASP A 86 -14.455 -9.359 -8.427 1.00 0.00 C ATOM 1357 C ASP A 86 -15.647 -8.971 -7.559 1.00 0.00 C ATOM 1358 O ASP A 86 -16.030 -9.706 -6.648 1.00 0.00 O ATOM 1359 CB ASP A 86 -13.208 -9.503 -7.552 1.00 0.00 C ATOM 1360 CG ASP A 86 -11.951 -9.735 -8.365 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -11.936 -10.683 -9.178 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -10.981 -8.968 -8.189 1.00 0.00 O ATOM 0 H ASP A 86 -13.533 -7.661 -9.242 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.665 -10.314 -8.909 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.086 -8.603 -6.949 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.348 -10.334 -6.860 1.00 0.00 H new ATOM 1367 N GLY A 87 -16.233 -7.812 -7.849 1.00 0.00 N ATOM 1368 CA GLY A 87 -17.371 -7.341 -7.084 1.00 0.00 C ATOM 1369 C GLY A 87 -16.951 -6.506 -5.895 1.00 0.00 C ATOM 1370 O GLY A 87 -17.658 -5.581 -5.497 1.00 0.00 O ATOM 0 H GLY A 87 -15.938 -7.191 -8.602 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.022 -6.751 -7.729 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -17.954 -8.195 -6.739 1.00 0.00 H new ATOM 1374 N GLN A 88 -15.790 -6.829 -5.331 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.269 -6.101 -4.181 1.00 0.00 C ATOM 1376 C GLN A 88 -13.885 -5.531 -4.482 1.00 0.00 C ATOM 1377 O GLN A 88 -13.242 -5.915 -5.461 1.00 0.00 O ATOM 1378 CB GLN A 88 -15.196 -7.013 -2.952 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.340 -8.016 -2.825 1.00 0.00 C ATOM 1380 CD GLN A 88 -17.700 -7.440 -3.181 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -17.875 -6.147 -2.964 1.00 0.00 O flip ATOM 1382 NE2 GLN A 88 -18.585 -8.158 -3.650 1.00 0.00 N flip ATOM 0 H GLN A 88 -15.193 -7.591 -5.653 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.951 -5.277 -3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.254 -7.561 -2.980 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -15.177 -6.391 -2.057 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -16.136 -8.870 -3.471 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -16.371 -8.391 -1.802 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -18.409 -9.151 -3.802 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -19.494 -7.759 -3.886 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.434 -4.614 -3.631 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.128 -3.988 -3.797 1.00 0.00 C ATOM 1393 C VAL A 89 -11.045 -4.794 -3.085 1.00 0.00 C ATOM 1394 O VAL A 89 -11.075 -4.947 -1.864 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.119 -2.545 -3.254 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.756 -1.900 -3.454 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.209 -1.717 -3.918 1.00 0.00 C ATOM 0 H VAL A 89 -13.956 -4.288 -2.818 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.921 -3.963 -4.867 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.321 -2.583 -2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.774 -0.883 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.999 -2.478 -2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.517 -1.876 -4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.187 -0.702 -3.522 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.041 -1.690 -4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.181 -2.165 -3.714 1.00 0.00 H new ATOM 1407 N ASP A 90 -10.091 -5.307 -3.857 1.00 0.00 N ATOM 1408 CA ASP A 90 -9.002 -6.099 -3.300 1.00 0.00 C ATOM 1409 C ASP A 90 -7.852 -5.206 -2.842 1.00 0.00 C ATOM 1410 O ASP A 90 -7.657 -4.111 -3.374 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.501 -7.113 -4.331 1.00 0.00 C ATOM 1412 CG ASP A 90 -7.435 -8.033 -3.771 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -7.799 -9.066 -3.171 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -6.236 -7.720 -3.933 1.00 0.00 O ATOM 0 H ASP A 90 -10.051 -5.188 -4.869 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.385 -6.635 -2.431 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.341 -7.710 -4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.100 -6.581 -5.194 1.00 0.00 H new ATOM 1419 N PHE A 91 -7.101 -5.677 -1.851 1.00 0.00 N ATOM 1420 CA PHE A 91 -5.970 -4.927 -1.308 1.00 0.00 C ATOM 1421 C PHE A 91 -5.086 -4.349 -2.414 1.00 0.00 C ATOM 1422 O PHE A 91 -4.718 -3.176 -2.372 1.00 0.00 O ATOM 1423 CB PHE A 91 -5.137 -5.828 -0.392 1.00 0.00 C ATOM 1424 CG PHE A 91 -3.921 -5.156 0.179 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -4.045 -4.123 1.095 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.651 -5.561 -0.200 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -2.926 -3.506 1.621 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.528 -4.949 0.323 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.666 -3.920 1.234 1.00 0.00 C ATOM 0 H PHE A 91 -7.256 -6.581 -1.404 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.372 -4.092 -0.735 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.765 -6.177 0.427 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.824 -6.709 -0.952 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.028 -3.797 1.401 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.538 -6.365 -0.913 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.036 -2.702 2.333 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.544 -5.275 0.020 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.790 -3.439 1.643 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.755 -5.177 -3.402 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.902 -4.752 -4.513 1.00 0.00 C ATOM 1441 C GLU A 92 -4.429 -3.483 -5.180 1.00 0.00 C ATOM 1442 O GLU A 92 -3.704 -2.499 -5.323 1.00 0.00 O ATOM 1443 CB GLU A 92 -3.791 -5.870 -5.553 1.00 0.00 C ATOM 1444 CG GLU A 92 -3.192 -7.155 -5.008 1.00 0.00 C ATOM 1445 CD GLU A 92 -3.047 -8.224 -6.074 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -2.010 -8.231 -6.771 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -3.971 -9.054 -6.213 1.00 0.00 O ATOM 0 H GLU A 92 -5.064 -6.147 -3.457 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.917 -4.533 -4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.783 -6.083 -5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.181 -5.520 -6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.214 -6.942 -4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.821 -7.533 -4.202 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.691 -3.512 -5.591 1.00 0.00 N ATOM 1455 CA GLU A 93 -6.310 -2.370 -6.258 1.00 0.00 C ATOM 1456 C GLU A 93 -6.144 -1.081 -5.455 1.00 0.00 C ATOM 1457 O GLU A 93 -5.918 -0.011 -6.022 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.798 -2.642 -6.489 1.00 0.00 C ATOM 1459 CG GLU A 93 -8.069 -3.935 -7.240 1.00 0.00 C ATOM 1460 CD GLU A 93 -9.542 -4.143 -7.525 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -10.328 -4.228 -6.558 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -9.912 -4.218 -8.715 1.00 0.00 O ATOM 0 H GLU A 93 -6.308 -4.316 -5.474 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.804 -2.236 -7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.306 -2.677 -5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.229 -1.810 -7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.518 -3.927 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.693 -4.776 -6.657 1.00 0.00 H new ATOM 1469 N PHE A 94 -6.247 -1.188 -4.135 1.00 0.00 N ATOM 1470 CA PHE A 94 -6.134 -0.022 -3.263 1.00 0.00 C ATOM 1471 C PHE A 94 -4.684 0.282 -2.889 1.00 0.00 C ATOM 1472 O PHE A 94 -4.366 1.402 -2.485 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.969 -0.238 -1.998 1.00 0.00 C ATOM 1474 CG PHE A 94 -6.958 0.932 -1.055 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.426 2.172 -1.462 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.480 0.792 0.238 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -7.416 3.249 -0.596 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.469 1.865 1.108 1.00 0.00 C ATOM 1479 CZ PHE A 94 -6.936 3.095 0.690 1.00 0.00 C ATOM 0 H PHE A 94 -6.408 -2.068 -3.645 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.513 0.839 -3.814 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.999 -0.451 -2.286 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.596 -1.118 -1.474 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.802 2.298 -2.466 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -6.112 -0.168 0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.783 4.210 -0.924 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.096 1.742 2.114 1.00 0.00 H new ATOM 0 HZ PHE A 94 -6.926 3.936 1.368 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.805 -0.704 -3.032 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.400 -0.516 -2.684 1.00 0.00 C ATOM 1491 C VAL A 95 -1.666 0.304 -3.743 1.00 0.00 C ATOM 1492 O VAL A 95 -0.658 0.948 -3.449 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.678 -1.868 -2.473 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -1.058 -2.381 -3.767 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -0.623 -1.739 -1.386 1.00 0.00 C ATOM 0 H VAL A 95 -4.037 -1.633 -3.383 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.382 0.035 -1.744 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.422 -2.598 -2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.560 -3.332 -3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.839 -2.521 -4.514 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.331 -1.657 -4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.123 -2.698 -1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.110 -0.986 -1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.098 -1.440 -0.452 1.00 0.00 H new ATOM 1505 N THR A 96 -2.174 0.280 -4.973 1.00 0.00 N ATOM 1506 CA THR A 96 -1.559 1.024 -6.067 1.00 0.00 C ATOM 1507 C THR A 96 -2.088 2.456 -6.129 1.00 0.00 C ATOM 1508 O THR A 96 -1.337 3.391 -6.412 1.00 0.00 O ATOM 1509 CB THR A 96 -1.807 0.337 -7.425 1.00 0.00 C ATOM 1510 OG1 THR A 96 -1.352 -1.021 -7.376 1.00 0.00 O ATOM 1511 CG2 THR A 96 -1.090 1.073 -8.547 1.00 0.00 C ATOM 0 H THR A 96 -3.008 -0.245 -5.236 1.00 0.00 H new ATOM 0 HA THR A 96 -0.487 1.045 -5.869 1.00 0.00 H new ATOM 0 HB THR A 96 -2.878 0.358 -7.625 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.514 -1.452 -8.241 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.281 0.568 -9.494 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.456 2.098 -8.602 1.00 0.00 H new ATOM 0 HG23 THR A 96 -0.018 1.081 -8.350 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.382 2.619 -5.869 1.00 0.00 N ATOM 1520 CA LEU A 97 -4.009 3.937 -5.896 1.00 0.00 C ATOM 1521 C LEU A 97 -3.281 4.917 -4.979 1.00 0.00 C ATOM 1522 O LEU A 97 -3.102 6.086 -5.323 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.479 3.837 -5.484 1.00 0.00 C ATOM 1524 CG LEU A 97 -6.378 3.068 -6.454 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -7.761 2.872 -5.855 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -6.474 3.797 -7.787 1.00 0.00 C ATOM 0 H LEU A 97 -4.017 1.855 -5.637 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.946 4.312 -6.917 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.534 3.358 -4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.876 4.845 -5.368 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.935 2.088 -6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.388 2.323 -6.558 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.679 2.308 -4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.210 3.844 -5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.118 3.235 -8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.894 4.791 -7.629 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.480 3.888 -8.224 1.00 0.00 H new ATOM 1538 N LEU A 98 -2.862 4.435 -3.812 1.00 0.00 N ATOM 1539 CA LEU A 98 -2.156 5.274 -2.849 1.00 0.00 C ATOM 1540 C LEU A 98 -0.643 5.145 -3.003 1.00 0.00 C ATOM 1541 O LEU A 98 0.114 5.975 -2.497 1.00 0.00 O ATOM 1542 CB LEU A 98 -2.573 4.909 -1.420 1.00 0.00 C ATOM 1543 CG LEU A 98 -2.451 3.425 -1.058 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -1.019 3.071 -0.690 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -3.395 3.079 0.084 1.00 0.00 C ATOM 0 H LEU A 98 -2.999 3.470 -3.511 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.428 6.311 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.965 5.486 -0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.608 5.218 -1.272 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.731 2.837 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.959 2.012 -0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.364 3.280 -1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.706 3.667 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.297 2.022 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.144 3.679 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.422 3.288 -0.217 1.00 0.00 H new