USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=12 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= -2.28! (180deg=-2.54!) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.866 F(o=-6.3!,f=-0.87) USER MOD Single : A 54 SER OG : rot 180:sc= -0.181 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -1.77 F(o=-2.7,f=-1.8) USER MOD Single : A 60 THR OG1 : rot 110:sc= 0.316 USER MOD Single : A 62 MET CE :methyl -134:sc= -0.186 (180deg=-2.13) 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 156:sc= -0.241 (180deg=-0.931) USER MOD Single : A 70 ASN : amide:sc= -0.0196 X(o=-0.02,f=-0.22) USER MOD Single : A 79 GLN : amide:sc= 0.373 K(o=0.37,f=-0.46) USER MOD Single : A 83 MET CE :methyl -131:sc= -0.258 (180deg=-1.58!) USER MOD Single : A 88 GLN :FLIP amide:sc= -1.16 F(o=-1.9!,f=-1.2) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 544 N LEU A 35 2.638 0.847 4.543 1.00 0.00 N ATOM 545 CA LEU A 35 1.684 -0.069 3.929 1.00 0.00 C ATOM 546 C LEU A 35 0.756 -0.668 4.979 1.00 0.00 C ATOM 547 O LEU A 35 -0.407 -0.959 4.702 1.00 0.00 O ATOM 548 CB LEU A 35 2.410 -1.190 3.184 1.00 0.00 C ATOM 549 CG LEU A 35 1.519 -2.035 2.274 1.00 0.00 C ATOM 550 CD1 LEU A 35 1.463 -1.435 0.877 1.00 0.00 C ATOM 551 CD2 LEU A 35 2.013 -3.472 2.224 1.00 0.00 C ATOM 0 HA LEU A 35 1.089 0.501 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.207 -0.752 2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.885 -1.845 3.915 1.00 0.00 H new ATOM 0 HG LEU A 35 0.510 -2.037 2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.824 -2.049 0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.057 -0.425 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.468 -1.400 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.365 -4.057 1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.032 -3.493 1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.996 -3.898 3.227 1.00 0.00 H new ATOM 563 N GLU A 36 1.281 -0.851 6.188 1.00 0.00 N ATOM 564 CA GLU A 36 0.502 -1.417 7.281 1.00 0.00 C ATOM 565 C GLU A 36 -0.685 -0.519 7.613 1.00 0.00 C ATOM 566 O GLU A 36 -1.774 -1.002 7.924 1.00 0.00 O ATOM 567 CB GLU A 36 1.385 -1.603 8.519 1.00 0.00 C ATOM 568 CG GLU A 36 0.916 -2.714 9.445 1.00 0.00 C ATOM 569 CD GLU A 36 -0.428 -2.420 10.083 1.00 0.00 C ATOM 570 OE1 GLU A 36 -0.475 -1.585 11.010 1.00 0.00 O ATOM 571 OE2 GLU A 36 -1.433 -3.026 9.655 1.00 0.00 O ATOM 0 H GLU A 36 2.242 -0.615 6.433 1.00 0.00 H new ATOM 0 HA GLU A 36 0.124 -2.390 6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.405 -1.816 8.198 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.415 -0.667 9.076 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.850 -3.646 8.883 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.659 -2.866 10.228 1.00 0.00 H new ATOM 578 N GLU A 37 -0.468 0.791 7.540 1.00 0.00 N ATOM 579 CA GLU A 37 -1.521 1.758 7.829 1.00 0.00 C ATOM 580 C GLU A 37 -2.686 1.594 6.858 1.00 0.00 C ATOM 581 O GLU A 37 -3.836 1.873 7.198 1.00 0.00 O ATOM 582 CB GLU A 37 -0.971 3.185 7.745 1.00 0.00 C ATOM 583 CG GLU A 37 0.220 3.434 8.658 1.00 0.00 C ATOM 584 CD GLU A 37 -0.113 3.225 10.122 1.00 0.00 C ATOM 585 OE1 GLU A 37 0.041 2.085 10.610 1.00 0.00 O ATOM 586 OE2 GLU A 37 -0.527 4.201 10.782 1.00 0.00 O ATOM 0 H GLU A 37 0.427 1.207 7.283 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.882 1.575 8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.679 3.393 6.716 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.765 3.887 7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.035 2.767 8.376 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.578 4.453 8.513 1.00 0.00 H new ATOM 593 N ILE A 38 -2.377 1.139 5.647 1.00 0.00 N ATOM 594 CA ILE A 38 -3.393 0.932 4.622 1.00 0.00 C ATOM 595 C ILE A 38 -4.371 -0.162 5.035 1.00 0.00 C ATOM 596 O ILE A 38 -5.579 -0.051 4.814 1.00 0.00 O ATOM 597 CB ILE A 38 -2.754 0.542 3.273 1.00 0.00 C ATOM 598 CG1 ILE A 38 -1.587 1.478 2.947 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.799 0.574 2.165 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.900 1.164 1.634 1.00 0.00 C ATOM 0 H ILE A 38 -1.429 0.906 5.352 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.927 1.875 4.509 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.366 -0.474 3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.954 2.504 2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.854 1.424 3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.335 0.297 1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.597 -0.131 2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.214 1.579 2.085 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.085 1.869 1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.502 0.150 1.665 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.618 1.247 0.818 1.00 0.00 H new ATOM 612 N ARG A 39 -3.838 -1.218 5.642 1.00 0.00 N ATOM 613 CA ARG A 39 -4.652 -2.344 6.083 1.00 0.00 C ATOM 614 C ARG A 39 -5.648 -1.925 7.156 1.00 0.00 C ATOM 615 O ARG A 39 -6.845 -1.866 6.903 1.00 0.00 O ATOM 616 CB ARG A 39 -3.756 -3.466 6.610 1.00 0.00 C ATOM 617 CG ARG A 39 -2.891 -4.098 5.533 1.00 0.00 C ATOM 618 CD ARG A 39 -1.502 -4.426 6.054 1.00 0.00 C ATOM 619 NE ARG A 39 -1.528 -5.489 7.056 1.00 0.00 N ATOM 620 CZ ARG A 39 -0.437 -6.003 7.616 1.00 0.00 C ATOM 621 NH1 ARG A 39 0.764 -5.567 7.258 1.00 0.00 N ATOM 622 NH2 ARG A 39 -0.547 -6.955 8.532 1.00 0.00 N ATOM 0 H ARG A 39 -2.842 -1.317 5.840 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.216 -2.706 5.223 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.114 -3.070 7.397 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.379 -4.236 7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.368 -5.008 5.169 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.811 -3.419 4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.865 -4.728 5.222 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.057 -3.530 6.488 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.435 -5.858 7.342 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.852 -4.836 6.552 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.600 -5.963 7.689 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.469 -7.294 8.808 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.290 -7.349 8.961 1.00 0.00 H new ATOM 636 N GLU A 40 -5.142 -1.612 8.345 1.00 0.00 N ATOM 637 CA GLU A 40 -5.988 -1.216 9.471 1.00 0.00 C ATOM 638 C GLU A 40 -7.152 -0.327 9.033 1.00 0.00 C ATOM 639 O GLU A 40 -8.227 -0.371 9.622 1.00 0.00 O ATOM 640 CB GLU A 40 -5.156 -0.487 10.525 1.00 0.00 C ATOM 641 CG GLU A 40 -4.055 -1.340 11.134 1.00 0.00 C ATOM 642 CD GLU A 40 -3.285 -0.610 12.217 1.00 0.00 C ATOM 643 OE1 GLU A 40 -2.344 0.135 11.875 1.00 0.00 O ATOM 644 OE2 GLU A 40 -3.625 -0.782 13.406 1.00 0.00 O ATOM 0 H GLU A 40 -4.144 -1.625 8.556 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.407 -2.129 9.895 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.709 0.399 10.073 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.816 -0.140 11.320 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.492 -2.247 11.552 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.365 -1.651 10.349 1.00 0.00 H new ATOM 651 N ALA A 41 -6.942 0.464 7.990 1.00 0.00 N ATOM 652 CA ALA A 41 -7.978 1.365 7.501 1.00 0.00 C ATOM 653 C ALA A 41 -9.194 0.615 6.949 1.00 0.00 C ATOM 654 O ALA A 41 -10.189 0.409 7.653 1.00 0.00 O ATOM 655 CB ALA A 41 -7.407 2.293 6.438 1.00 0.00 C ATOM 0 H ALA A 41 -6.067 0.501 7.467 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.322 1.952 8.353 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.190 2.962 6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.595 2.881 6.866 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.026 1.702 5.605 1.00 0.00 H new ATOM 661 N PHE A 42 -9.105 0.188 5.695 1.00 0.00 N ATOM 662 CA PHE A 42 -10.217 -0.494 5.042 1.00 0.00 C ATOM 663 C PHE A 42 -10.369 -1.944 5.496 1.00 0.00 C ATOM 664 O PHE A 42 -11.467 -2.498 5.448 1.00 0.00 O ATOM 665 CB PHE A 42 -10.046 -0.426 3.525 1.00 0.00 C ATOM 666 CG PHE A 42 -10.332 0.935 2.957 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.418 1.968 3.098 1.00 0.00 C ATOM 668 CD2 PHE A 42 -11.517 1.183 2.286 1.00 0.00 C ATOM 669 CE1 PHE A 42 -9.684 3.222 2.582 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.789 2.435 1.766 1.00 0.00 C ATOM 671 CZ PHE A 42 -10.870 3.455 1.914 1.00 0.00 C ATOM 0 H PHE A 42 -8.277 0.301 5.111 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.131 0.022 5.334 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.026 -0.713 3.268 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.709 -1.154 3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.488 1.791 3.617 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -12.239 0.388 2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.965 4.019 2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.718 2.615 1.245 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.079 4.434 1.508 1.00 0.00 H new ATOM 681 N LYS A 43 -9.281 -2.553 5.945 1.00 0.00 N ATOM 682 CA LYS A 43 -9.325 -3.943 6.389 1.00 0.00 C ATOM 683 C LYS A 43 -10.270 -4.121 7.575 1.00 0.00 C ATOM 684 O LYS A 43 -10.955 -5.140 7.675 1.00 0.00 O ATOM 685 CB LYS A 43 -7.925 -4.449 6.750 1.00 0.00 C ATOM 686 CG LYS A 43 -7.678 -5.898 6.354 1.00 0.00 C ATOM 687 CD LYS A 43 -7.848 -6.110 4.855 1.00 0.00 C ATOM 688 CE LYS A 43 -6.895 -5.241 4.045 1.00 0.00 C ATOM 689 NZ LYS A 43 -7.198 -5.295 2.589 1.00 0.00 N ATOM 0 H LYS A 43 -8.363 -2.113 6.012 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.707 -4.536 5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.183 -3.817 6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.776 -4.345 7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.670 -6.190 6.651 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.369 -6.545 6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.675 -7.159 4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.876 -5.883 4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.960 -4.210 4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.870 -5.570 4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.450 -4.803 2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.244 -6.287 2.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.112 -4.833 2.407 1.00 0.00 H new ATOM 703 N VAL A 44 -10.313 -3.139 8.476 1.00 0.00 N ATOM 704 CA VAL A 44 -11.196 -3.235 9.635 1.00 0.00 C ATOM 705 C VAL A 44 -12.648 -3.003 9.238 1.00 0.00 C ATOM 706 O VAL A 44 -13.554 -3.605 9.814 1.00 0.00 O ATOM 707 CB VAL A 44 -10.812 -2.251 10.758 1.00 0.00 C ATOM 708 CG1 VAL A 44 -9.383 -2.494 11.217 1.00 0.00 C ATOM 709 CG2 VAL A 44 -11.007 -0.812 10.309 1.00 0.00 C ATOM 0 H VAL A 44 -9.758 -2.285 8.427 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.078 -4.248 10.021 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.473 -2.426 11.607 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.131 -1.790 12.010 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.290 -3.513 11.593 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.702 -2.354 10.377 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.729 -0.137 11.119 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.379 -0.614 9.440 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.052 -0.652 10.046 1.00 0.00 H new ATOM 719 N PHE A 45 -12.876 -2.127 8.255 1.00 0.00 N ATOM 720 CA PHE A 45 -14.239 -1.858 7.800 1.00 0.00 C ATOM 721 C PHE A 45 -14.869 -3.131 7.247 1.00 0.00 C ATOM 722 O PHE A 45 -16.089 -3.227 7.115 1.00 0.00 O ATOM 723 CB PHE A 45 -14.263 -0.749 6.744 1.00 0.00 C ATOM 724 CG PHE A 45 -13.907 0.608 7.289 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.607 1.146 8.358 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.875 1.344 6.733 1.00 0.00 C ATOM 727 CE1 PHE A 45 -14.282 2.392 8.862 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.545 2.590 7.231 1.00 0.00 C ATOM 729 CZ PHE A 45 -13.249 3.114 8.298 1.00 0.00 C ATOM 0 H PHE A 45 -12.149 -1.602 7.769 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.821 -1.517 8.656 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.567 -1.004 5.945 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -15.257 -0.704 6.299 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -15.416 0.585 8.802 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.321 0.939 5.899 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.835 2.800 9.695 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.738 3.153 6.787 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.992 4.087 8.690 1.00 0.00 H new ATOM 739 N ASP A 46 -14.023 -4.105 6.925 1.00 0.00 N ATOM 740 CA ASP A 46 -14.489 -5.384 6.407 1.00 0.00 C ATOM 741 C ASP A 46 -15.107 -6.205 7.535 1.00 0.00 C ATOM 742 O ASP A 46 -14.426 -6.993 8.191 1.00 0.00 O ATOM 743 CB ASP A 46 -13.330 -6.149 5.762 1.00 0.00 C ATOM 744 CG ASP A 46 -13.762 -7.475 5.169 1.00 0.00 C ATOM 745 OD1 ASP A 46 -14.972 -7.647 4.914 1.00 0.00 O ATOM 746 OD2 ASP A 46 -12.889 -8.342 4.955 1.00 0.00 O ATOM 0 H ASP A 46 -13.010 -4.031 7.014 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.248 -5.204 5.646 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.885 -5.534 4.980 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.556 -6.325 6.509 1.00 0.00 H new ATOM 751 N ARG A 47 -16.402 -6.000 7.758 1.00 0.00 N ATOM 752 CA ARG A 47 -17.126 -6.695 8.817 1.00 0.00 C ATOM 753 C ARG A 47 -16.964 -8.211 8.717 1.00 0.00 C ATOM 754 O ARG A 47 -16.887 -8.901 9.734 1.00 0.00 O ATOM 755 CB ARG A 47 -18.609 -6.324 8.765 1.00 0.00 C ATOM 756 CG ARG A 47 -18.854 -4.825 8.671 1.00 0.00 C ATOM 757 CD ARG A 47 -20.336 -4.501 8.727 1.00 0.00 C ATOM 758 NE ARG A 47 -20.604 -3.093 8.448 1.00 0.00 N ATOM 759 CZ ARG A 47 -21.824 -2.560 8.448 1.00 0.00 C ATOM 760 NH1 ARG A 47 -22.880 -3.315 8.718 1.00 0.00 N ATOM 761 NH2 ARG A 47 -21.987 -1.272 8.181 1.00 0.00 N ATOM 0 H ARG A 47 -16.974 -5.354 7.215 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.702 -6.379 9.770 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.069 -6.814 7.907 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -19.104 -6.710 9.656 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.338 -4.319 9.487 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.432 -4.443 7.741 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.869 -5.120 8.006 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.725 -4.754 9.713 1.00 0.00 H new ATOM 0 HE ARG A 47 -19.812 -2.484 8.242 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.759 -4.306 8.926 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.814 -2.905 8.718 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -21.177 -0.687 7.975 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -22.922 -0.865 8.181 1.00 0.00 H new ATOM 775 N ASP A 48 -16.916 -8.728 7.493 1.00 0.00 N ATOM 776 CA ASP A 48 -16.767 -10.164 7.281 1.00 0.00 C ATOM 777 C ASP A 48 -15.321 -10.606 7.478 1.00 0.00 C ATOM 778 O ASP A 48 -15.048 -11.783 7.714 1.00 0.00 O ATOM 779 CB ASP A 48 -17.240 -10.548 5.878 1.00 0.00 C ATOM 780 CG ASP A 48 -18.668 -10.117 5.610 1.00 0.00 C ATOM 781 OD1 ASP A 48 -19.595 -10.848 6.018 1.00 0.00 O ATOM 782 OD2 ASP A 48 -18.860 -9.048 4.991 1.00 0.00 O ATOM 0 H ASP A 48 -16.978 -8.177 6.637 1.00 0.00 H new ATOM 0 HA ASP A 48 -17.385 -10.674 8.020 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -16.581 -10.093 5.138 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -17.160 -11.628 5.754 1.00 0.00 H new ATOM 787 N GLY A 49 -14.398 -9.651 7.382 1.00 0.00 N ATOM 788 CA GLY A 49 -12.987 -9.953 7.557 1.00 0.00 C ATOM 789 C GLY A 49 -12.490 -11.015 6.595 1.00 0.00 C ATOM 790 O GLY A 49 -11.423 -11.594 6.800 1.00 0.00 O ATOM 0 H GLY A 49 -14.603 -8.671 7.186 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.405 -9.042 7.418 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.816 -10.287 8.580 1.00 0.00 H new ATOM 794 N ASN A 50 -13.261 -11.267 5.541 1.00 0.00 N ATOM 795 CA ASN A 50 -12.894 -12.270 4.546 1.00 0.00 C ATOM 796 C ASN A 50 -11.743 -11.784 3.668 1.00 0.00 C ATOM 797 O ASN A 50 -11.283 -12.503 2.781 1.00 0.00 O ATOM 798 CB ASN A 50 -14.107 -12.625 3.681 1.00 0.00 C ATOM 799 CG ASN A 50 -14.939 -11.411 3.306 1.00 0.00 C ATOM 800 OD1 ASN A 50 -14.291 -10.260 3.175 1.00 0.00 O flip ATOM 801 ND2 ASN A 50 -16.154 -11.507 3.134 1.00 0.00 N flip ATOM 0 H ASN A 50 -14.143 -10.791 5.354 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.560 -13.163 5.075 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.766 -13.121 2.772 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.734 -13.338 4.217 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -16.615 -12.410 3.244 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -16.700 -10.683 2.881 1.00 0.00 H new ATOM 808 N GLY A 51 -11.282 -10.563 3.923 1.00 0.00 N ATOM 809 CA GLY A 51 -10.188 -10.004 3.149 1.00 0.00 C ATOM 810 C GLY A 51 -10.666 -9.084 2.042 1.00 0.00 C ATOM 811 O GLY A 51 -9.891 -8.289 1.511 1.00 0.00 O ATOM 0 H GLY A 51 -11.647 -9.950 4.652 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.523 -9.452 3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.603 -10.815 2.715 1.00 0.00 H new ATOM 815 N PHE A 52 -11.944 -9.192 1.696 1.00 0.00 N ATOM 816 CA PHE A 52 -12.524 -8.364 0.644 1.00 0.00 C ATOM 817 C PHE A 52 -13.575 -7.418 1.217 1.00 0.00 C ATOM 818 O PHE A 52 -14.223 -7.728 2.216 1.00 0.00 O ATOM 819 CB PHE A 52 -13.152 -9.246 -0.436 1.00 0.00 C ATOM 820 CG PHE A 52 -12.379 -10.504 -0.710 1.00 0.00 C ATOM 821 CD1 PHE A 52 -11.298 -10.497 -1.575 1.00 0.00 C ATOM 822 CD2 PHE A 52 -12.738 -11.697 -0.100 1.00 0.00 C ATOM 823 CE1 PHE A 52 -10.586 -11.656 -1.826 1.00 0.00 C ATOM 824 CE2 PHE A 52 -12.031 -12.857 -0.348 1.00 0.00 C ATOM 825 CZ PHE A 52 -10.954 -12.837 -1.212 1.00 0.00 C ATOM 0 H PHE A 52 -12.598 -9.844 2.128 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.726 -7.768 0.200 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -14.165 -9.511 -0.133 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.235 -8.672 -1.359 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.007 -9.576 -2.059 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.580 -11.719 0.576 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.743 -11.637 -2.501 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.320 -13.779 0.134 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.400 -13.743 -1.407 1.00 0.00 H new ATOM 835 N ILE A 53 -13.740 -6.264 0.580 1.00 0.00 N ATOM 836 CA ILE A 53 -14.714 -5.279 1.032 1.00 0.00 C ATOM 837 C ILE A 53 -15.775 -5.014 -0.035 1.00 0.00 C ATOM 838 O ILE A 53 -15.460 -4.603 -1.153 1.00 0.00 O ATOM 839 CB ILE A 53 -14.030 -3.952 1.417 1.00 0.00 C ATOM 840 CG1 ILE A 53 -13.042 -4.178 2.566 1.00 0.00 C ATOM 841 CG2 ILE A 53 -15.067 -2.908 1.806 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.888 -3.205 2.563 1.00 0.00 C ATOM 0 H ILE A 53 -13.213 -5.989 -0.249 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.200 -5.696 1.914 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.480 -3.583 0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.574 -4.097 3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.652 -5.194 2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.565 -1.979 2.074 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.736 -2.729 0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.644 -3.268 2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.227 -3.422 3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.333 -3.302 1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.269 -2.188 2.654 1.00 0.00 H new ATOM 854 N SER A 54 -17.031 -5.255 0.325 1.00 0.00 N ATOM 855 CA SER A 54 -18.151 -5.046 -0.587 1.00 0.00 C ATOM 856 C SER A 54 -18.566 -3.577 -0.600 1.00 0.00 C ATOM 857 O SER A 54 -17.961 -2.754 0.085 1.00 0.00 O ATOM 858 CB SER A 54 -19.338 -5.922 -0.176 1.00 0.00 C ATOM 859 OG SER A 54 -20.412 -5.792 -1.090 1.00 0.00 O ATOM 0 H SER A 54 -17.300 -5.597 1.247 1.00 0.00 H new ATOM 0 HA SER A 54 -17.834 -5.326 -1.591 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.024 -6.965 -0.126 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.671 -5.642 0.823 1.00 0.00 H new ATOM 0 HG SER A 54 -21.155 -6.363 -0.805 1.00 0.00 H new ATOM 865 N LYS A 55 -19.592 -3.248 -1.381 1.00 0.00 N ATOM 866 CA LYS A 55 -20.071 -1.873 -1.469 1.00 0.00 C ATOM 867 C LYS A 55 -20.652 -1.407 -0.137 1.00 0.00 C ATOM 868 O LYS A 55 -20.307 -0.335 0.359 1.00 0.00 O ATOM 869 CB LYS A 55 -21.129 -1.740 -2.568 1.00 0.00 C ATOM 870 CG LYS A 55 -20.599 -1.995 -3.971 1.00 0.00 C ATOM 871 CD LYS A 55 -20.576 -3.478 -4.310 1.00 0.00 C ATOM 872 CE LYS A 55 -21.981 -4.043 -4.451 1.00 0.00 C ATOM 873 NZ LYS A 55 -21.967 -5.473 -4.863 1.00 0.00 N ATOM 0 H LYS A 55 -20.105 -3.913 -1.960 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.218 -1.241 -1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -21.940 -2.440 -2.364 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.555 -0.738 -2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -21.220 -1.467 -4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.592 -1.587 -4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.027 -3.631 -5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.041 -4.021 -3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.509 -3.944 -3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.535 -3.459 -5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.944 -5.819 -4.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.486 -5.565 -5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.461 -6.035 -4.149 1.00 0.00 H new ATOM 887 N GLN A 56 -21.537 -2.220 0.436 1.00 0.00 N ATOM 888 CA GLN A 56 -22.174 -1.891 1.708 1.00 0.00 C ATOM 889 C GLN A 56 -21.132 -1.606 2.786 1.00 0.00 C ATOM 890 O GLN A 56 -21.287 -0.680 3.584 1.00 0.00 O ATOM 891 CB GLN A 56 -23.089 -3.032 2.160 1.00 0.00 C ATOM 892 CG GLN A 56 -24.366 -3.158 1.341 1.00 0.00 C ATOM 893 CD GLN A 56 -24.100 -3.443 -0.123 1.00 0.00 C ATOM 894 OE1 GLN A 56 -24.000 -2.387 -0.922 1.00 0.00 O flip ATOM 895 NE2 GLN A 56 -23.991 -4.598 -0.534 1.00 0.00 N flip ATOM 0 H GLN A 56 -21.829 -3.113 0.038 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.772 -0.992 1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.538 -3.971 2.103 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.353 -2.880 3.207 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -24.981 -3.957 1.756 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -24.940 -2.236 1.428 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -24.075 -5.380 0.115 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -23.817 -4.773 -1.524 1.00 0.00 H new ATOM 904 N GLU A 57 -20.071 -2.405 2.802 1.00 0.00 N ATOM 905 CA GLU A 57 -19.002 -2.239 3.779 1.00 0.00 C ATOM 906 C GLU A 57 -18.189 -0.985 3.472 1.00 0.00 C ATOM 907 O GLU A 57 -17.873 -0.197 4.368 1.00 0.00 O ATOM 908 CB GLU A 57 -18.097 -3.474 3.780 1.00 0.00 C ATOM 909 CG GLU A 57 -18.849 -4.771 4.031 1.00 0.00 C ATOM 910 CD GLU A 57 -17.973 -6.000 3.873 1.00 0.00 C ATOM 911 OE1 GLU A 57 -17.319 -6.394 4.860 1.00 0.00 O ATOM 912 OE2 GLU A 57 -17.945 -6.570 2.762 1.00 0.00 O ATOM 0 H GLU A 57 -19.928 -3.175 2.148 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.446 -2.127 4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.583 -3.540 2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.330 -3.353 4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.266 -4.755 5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.689 -4.838 3.340 1.00 0.00 H new ATOM 919 N LEU A 58 -17.851 -0.809 2.199 1.00 0.00 N ATOM 920 CA LEU A 58 -17.087 0.352 1.756 1.00 0.00 C ATOM 921 C LEU A 58 -17.852 1.635 2.073 1.00 0.00 C ATOM 922 O LEU A 58 -17.257 2.693 2.280 1.00 0.00 O ATOM 923 CB LEU A 58 -16.820 0.253 0.248 1.00 0.00 C ATOM 924 CG LEU A 58 -15.507 0.876 -0.250 1.00 0.00 C ATOM 925 CD1 LEU A 58 -15.510 2.384 -0.058 1.00 0.00 C ATOM 926 CD2 LEU A 58 -14.315 0.249 0.455 1.00 0.00 C ATOM 0 H LEU A 58 -18.096 -1.459 1.452 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.134 0.375 2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.828 -0.800 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.647 0.730 -0.278 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.422 0.673 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -14.569 2.799 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.337 2.820 -0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -15.626 2.616 1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.395 0.704 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.399 0.415 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.295 -0.822 0.254 1.00 0.00 H new ATOM 938 N GLY A 59 -19.177 1.526 2.125 1.00 0.00 N ATOM 939 CA GLY A 59 -20.008 2.679 2.418 1.00 0.00 C ATOM 940 C GLY A 59 -19.786 3.199 3.823 1.00 0.00 C ATOM 941 O GLY A 59 -20.093 4.352 4.123 1.00 0.00 O ATOM 0 H GLY A 59 -19.690 0.658 1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.794 3.471 1.701 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.057 2.411 2.293 1.00 0.00 H new ATOM 945 N THR A 60 -19.249 2.341 4.685 1.00 0.00 N ATOM 946 CA THR A 60 -18.970 2.714 6.065 1.00 0.00 C ATOM 947 C THR A 60 -17.597 3.367 6.169 1.00 0.00 C ATOM 948 O THR A 60 -17.332 4.149 7.082 1.00 0.00 O ATOM 949 CB THR A 60 -19.022 1.490 7.000 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.269 0.803 6.840 1.00 0.00 O ATOM 951 CG2 THR A 60 -18.855 1.907 8.455 1.00 0.00 C ATOM 0 H THR A 60 -18.998 1.381 4.450 1.00 0.00 H new ATOM 0 HA THR A 60 -19.739 3.422 6.375 1.00 0.00 H new ATOM 0 HB THR A 60 -18.201 0.825 6.732 1.00 0.00 H new ATOM 0 HG1 THR A 60 -20.114 -0.056 6.395 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.896 1.024 9.093 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.893 2.404 8.583 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.657 2.592 8.732 1.00 0.00 H new ATOM 959 N ALA A 61 -16.729 3.034 5.220 1.00 0.00 N ATOM 960 CA ALA A 61 -15.380 3.586 5.183 1.00 0.00 C ATOM 961 C ALA A 61 -15.397 5.058 4.787 1.00 0.00 C ATOM 962 O ALA A 61 -14.757 5.893 5.429 1.00 0.00 O ATOM 963 CB ALA A 61 -14.518 2.792 4.214 1.00 0.00 C ATOM 0 H ALA A 61 -16.937 2.382 4.464 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.956 3.511 6.184 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.512 3.212 4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.470 1.752 4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.953 2.842 3.216 1.00 0.00 H new ATOM 969 N MET A 62 -16.131 5.369 3.724 1.00 0.00 N ATOM 970 CA MET A 62 -16.229 6.738 3.229 1.00 0.00 C ATOM 971 C MET A 62 -16.867 7.667 4.260 1.00 0.00 C ATOM 972 O MET A 62 -16.320 8.727 4.568 1.00 0.00 O ATOM 973 CB MET A 62 -17.035 6.773 1.929 1.00 0.00 C ATOM 974 CG MET A 62 -16.343 6.080 0.767 1.00 0.00 C ATOM 975 SD MET A 62 -14.765 6.845 0.344 1.00 0.00 S ATOM 976 CE MET A 62 -14.247 5.828 -1.036 1.00 0.00 C ATOM 0 H MET A 62 -16.669 4.689 3.187 1.00 0.00 H new ATOM 0 HA MET A 62 -15.216 7.093 3.039 1.00 0.00 H new ATOM 0 HB2 MET A 62 -18.003 6.301 2.098 1.00 0.00 H new ATOM 0 HB3 MET A 62 -17.229 7.811 1.659 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.179 5.032 1.019 1.00 0.00 H new ATOM 0 HG3 MET A 62 -16.997 6.099 -0.105 1.00 0.00 H new ATOM 0 HE1 MET A 62 -13.200 5.553 -0.912 1.00 0.00 H new ATOM 0 HE2 MET A 62 -14.857 4.926 -1.072 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.368 6.386 -1.965 1.00 0.00 H new ATOM 986 N ARG A 63 -18.023 7.269 4.788 1.00 0.00 N ATOM 987 CA ARG A 63 -18.727 8.083 5.777 1.00 0.00 C ATOM 988 C ARG A 63 -17.814 8.437 6.946 1.00 0.00 C ATOM 989 O ARG A 63 -17.933 9.513 7.533 1.00 0.00 O ATOM 990 CB ARG A 63 -19.975 7.358 6.288 1.00 0.00 C ATOM 991 CG ARG A 63 -19.676 6.084 7.060 1.00 0.00 C ATOM 992 CD ARG A 63 -20.930 5.522 7.709 1.00 0.00 C ATOM 993 NE ARG A 63 -21.560 6.489 8.606 1.00 0.00 N ATOM 994 CZ ARG A 63 -22.642 6.229 9.333 1.00 0.00 C ATOM 995 NH1 ARG A 63 -23.213 5.035 9.277 1.00 0.00 N ATOM 996 NH2 ARG A 63 -23.155 7.167 10.119 1.00 0.00 N ATOM 0 H ARG A 63 -18.490 6.394 4.550 1.00 0.00 H new ATOM 0 HA ARG A 63 -19.034 9.007 5.287 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.539 8.035 6.929 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -20.615 7.115 5.440 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.248 5.341 6.387 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -18.928 6.288 7.826 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -21.639 5.229 6.935 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -20.677 4.620 8.267 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.145 7.418 8.678 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -22.822 4.311 8.674 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -24.043 4.840 9.837 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -22.719 8.088 10.165 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -23.985 6.967 10.677 1.00 0.00 H new ATOM 1010 N SER A 64 -16.904 7.526 7.280 1.00 0.00 N ATOM 1011 CA SER A 64 -15.968 7.748 8.377 1.00 0.00 C ATOM 1012 C SER A 64 -15.138 9.003 8.132 1.00 0.00 C ATOM 1013 O SER A 64 -14.887 9.783 9.051 1.00 0.00 O ATOM 1014 CB SER A 64 -15.046 6.539 8.545 1.00 0.00 C ATOM 1015 OG SER A 64 -14.125 6.743 9.603 1.00 0.00 O ATOM 0 H SER A 64 -16.795 6.629 6.807 1.00 0.00 H new ATOM 0 HA SER A 64 -16.544 7.884 9.292 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.642 5.648 8.744 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.504 6.359 7.617 1.00 0.00 H new ATOM 0 HG SER A 64 -13.548 5.956 9.691 1.00 0.00 H new ATOM 1021 N LEU A 65 -14.713 9.189 6.887 1.00 0.00 N ATOM 1022 CA LEU A 65 -13.911 10.348 6.516 1.00 0.00 C ATOM 1023 C LEU A 65 -14.778 11.598 6.408 1.00 0.00 C ATOM 1024 O LEU A 65 -14.276 12.721 6.456 1.00 0.00 O ATOM 1025 CB LEU A 65 -13.197 10.091 5.187 1.00 0.00 C ATOM 1026 CG LEU A 65 -12.488 8.739 5.081 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -11.859 8.574 3.707 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.435 8.597 6.172 1.00 0.00 C ATOM 0 H LEU A 65 -14.911 8.550 6.117 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.168 10.512 7.296 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -13.926 10.165 4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.464 10.882 5.028 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.229 7.952 5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.359 7.607 3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.635 8.628 2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.132 9.369 3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.943 7.629 6.079 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.696 9.391 6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.912 8.669 7.150 1.00 0.00 H new ATOM 1040 N GLY A 66 -16.085 11.393 6.262 1.00 0.00 N ATOM 1041 CA GLY A 66 -17.006 12.510 6.149 1.00 0.00 C ATOM 1042 C GLY A 66 -17.738 12.524 4.821 1.00 0.00 C ATOM 1043 O GLY A 66 -18.321 13.537 4.436 1.00 0.00 O ATOM 0 H GLY A 66 -16.522 10.472 6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.732 12.462 6.960 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.457 13.444 6.268 1.00 0.00 H new ATOM 1047 N TYR A 67 -17.710 11.393 4.122 1.00 0.00 N ATOM 1048 CA TYR A 67 -18.378 11.272 2.831 1.00 0.00 C ATOM 1049 C TYR A 67 -19.413 10.151 2.865 1.00 0.00 C ATOM 1050 O TYR A 67 -19.068 8.976 2.757 1.00 0.00 O ATOM 1051 CB TYR A 67 -17.356 11.000 1.725 1.00 0.00 C ATOM 1052 CG TYR A 67 -16.270 12.048 1.630 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -16.494 13.253 0.976 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -15.018 11.830 2.192 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -15.503 14.211 0.885 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -14.022 12.784 2.105 1.00 0.00 C ATOM 1057 CZ TYR A 67 -14.269 13.971 1.451 1.00 0.00 C ATOM 1058 OH TYR A 67 -13.279 14.922 1.362 1.00 0.00 O ATOM 0 H TYR A 67 -17.231 10.546 4.429 1.00 0.00 H new ATOM 0 HA TYR A 67 -18.886 12.213 2.621 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -16.896 10.027 1.899 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -17.876 10.940 0.769 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -17.459 13.444 0.531 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.820 10.900 2.705 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -15.694 15.143 0.373 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.054 12.600 2.548 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.472 14.597 1.813 1.00 0.00 H new ATOM 1068 N MET A 68 -20.680 10.525 3.019 1.00 0.00 N ATOM 1069 CA MET A 68 -21.765 9.549 3.070 1.00 0.00 C ATOM 1070 C MET A 68 -22.249 9.193 1.662 1.00 0.00 C ATOM 1071 O MET A 68 -22.888 10.011 1.000 1.00 0.00 O ATOM 1072 CB MET A 68 -22.935 10.097 3.892 1.00 0.00 C ATOM 1073 CG MET A 68 -22.576 10.412 5.337 1.00 0.00 C ATOM 1074 SD MET A 68 -21.543 11.882 5.498 1.00 0.00 S ATOM 1075 CE MET A 68 -22.638 13.141 4.847 1.00 0.00 C ATOM 0 H MET A 68 -20.981 11.495 3.111 1.00 0.00 H new ATOM 0 HA MET A 68 -21.381 8.646 3.545 1.00 0.00 H new ATOM 0 HB2 MET A 68 -23.310 11.003 3.415 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.748 9.371 3.879 1.00 0.00 H new ATOM 0 HG2 MET A 68 -23.492 10.553 5.911 1.00 0.00 H new ATOM 0 HG3 MET A 68 -22.055 9.559 5.771 1.00 0.00 H new ATOM 0 HE1 MET A 68 -22.354 14.113 5.250 1.00 0.00 H new ATOM 0 HE2 MET A 68 -22.562 13.162 3.760 1.00 0.00 H new ATOM 0 HE3 MET A 68 -23.665 12.915 5.135 1.00 0.00 H new ATOM 1085 N PRO A 69 -21.954 7.967 1.181 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.364 7.522 -0.146 1.00 0.00 C ATOM 1087 C PRO A 69 -23.744 6.871 -0.140 1.00 0.00 C ATOM 1088 O PRO A 69 -24.063 6.075 0.742 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.292 6.497 -0.491 1.00 0.00 C ATOM 1090 CG PRO A 69 -20.937 5.872 0.820 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.192 6.915 1.885 1.00 0.00 C ATOM 0 HA PRO A 69 -22.447 8.344 -0.857 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.665 5.755 -1.197 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.425 6.969 -0.953 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.539 4.981 0.999 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.893 5.558 0.829 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.759 6.503 2.720 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.259 7.304 2.294 1.00 0.00 H new ATOM 1099 N ASN A 70 -24.555 7.217 -1.133 1.00 0.00 N ATOM 1100 CA ASN A 70 -25.902 6.671 -1.251 1.00 0.00 C ATOM 1101 C ASN A 70 -25.862 5.257 -1.817 1.00 0.00 C ATOM 1102 O ASN A 70 -24.799 4.761 -2.190 1.00 0.00 O ATOM 1103 CB ASN A 70 -26.751 7.569 -2.149 1.00 0.00 C ATOM 1104 CG ASN A 70 -26.606 9.034 -1.790 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -26.488 9.390 -0.617 1.00 0.00 O ATOM 1106 ND2 ASN A 70 -26.602 9.893 -2.801 1.00 0.00 N ATOM 0 H ASN A 70 -24.302 7.875 -1.870 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.348 6.632 -0.257 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -26.460 7.420 -3.189 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -27.798 7.278 -2.066 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -26.498 10.892 -2.621 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -26.703 9.555 -3.758 1.00 0.00 H new ATOM 1113 N GLU A 71 -27.021 4.611 -1.884 1.00 0.00 N ATOM 1114 CA GLU A 71 -27.106 3.253 -2.410 1.00 0.00 C ATOM 1115 C GLU A 71 -26.611 3.198 -3.852 1.00 0.00 C ATOM 1116 O GLU A 71 -26.146 2.159 -4.321 1.00 0.00 O ATOM 1117 CB GLU A 71 -28.545 2.739 -2.331 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.543 3.601 -3.087 1.00 0.00 C ATOM 1119 CD GLU A 71 -30.964 3.090 -2.962 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -31.650 3.474 -1.992 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -31.392 2.304 -3.835 1.00 0.00 O ATOM 0 H GLU A 71 -27.912 5.004 -1.582 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.468 2.613 -1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -28.581 1.724 -2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -28.845 2.684 -1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -29.494 4.623 -2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -29.264 3.635 -4.140 1.00 0.00 H new ATOM 1128 N VAL A 72 -26.709 4.326 -4.548 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.274 4.409 -5.937 1.00 0.00 C ATOM 1130 C VAL A 72 -24.805 4.815 -6.031 1.00 0.00 C ATOM 1131 O VAL A 72 -24.135 4.533 -7.026 1.00 0.00 O ATOM 1132 CB VAL A 72 -27.131 5.416 -6.730 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -26.940 6.827 -6.194 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -26.801 5.350 -8.214 1.00 0.00 C ATOM 0 H VAL A 72 -27.086 5.196 -4.172 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.398 3.417 -6.371 1.00 0.00 H new ATOM 0 HB VAL A 72 -28.179 5.146 -6.603 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -27.554 7.521 -6.768 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -27.237 6.861 -5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -25.892 7.111 -6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -27.416 6.068 -8.756 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -25.748 5.589 -8.364 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -27.002 4.346 -8.587 1.00 0.00 H new ATOM 1144 N GLU A 73 -24.311 5.475 -4.989 1.00 0.00 N ATOM 1145 CA GLU A 73 -22.924 5.928 -4.956 1.00 0.00 C ATOM 1146 C GLU A 73 -21.963 4.770 -4.707 1.00 0.00 C ATOM 1147 O GLU A 73 -21.038 4.544 -5.487 1.00 0.00 O ATOM 1148 CB GLU A 73 -22.743 6.995 -3.873 1.00 0.00 C ATOM 1149 CG GLU A 73 -23.544 8.261 -4.126 1.00 0.00 C ATOM 1150 CD GLU A 73 -23.061 9.024 -5.343 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -23.492 8.687 -6.466 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -22.250 9.958 -5.174 1.00 0.00 O ATOM 0 H GLU A 73 -24.850 5.709 -4.155 1.00 0.00 H new ATOM 0 HA GLU A 73 -22.692 6.356 -5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -23.035 6.576 -2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -21.686 7.252 -3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -24.594 8.001 -4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -23.483 8.906 -3.250 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.188 4.036 -3.622 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.332 2.906 -3.266 1.00 0.00 C ATOM 1161 C LEU A 74 -21.189 1.920 -4.423 1.00 0.00 C ATOM 1162 O LEU A 74 -20.288 1.081 -4.425 1.00 0.00 O ATOM 1163 CB LEU A 74 -21.884 2.190 -2.028 1.00 0.00 C ATOM 1164 CG LEU A 74 -23.394 1.932 -2.037 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.738 0.738 -2.913 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.902 1.718 -0.619 1.00 0.00 C ATOM 0 H LEU A 74 -22.956 4.202 -2.972 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.341 3.301 -3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.370 1.235 -1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.639 2.783 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 74 -23.887 2.809 -2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.816 0.577 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.411 0.930 -3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.234 -0.150 -2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.976 1.536 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.397 0.859 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.697 2.606 -0.021 1.00 0.00 H new ATOM 1178 N GLU A 75 -22.078 2.027 -5.403 1.00 0.00 N ATOM 1179 CA GLU A 75 -22.052 1.142 -6.561 1.00 0.00 C ATOM 1180 C GLU A 75 -20.970 1.553 -7.557 1.00 0.00 C ATOM 1181 O GLU A 75 -20.327 0.700 -8.166 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.416 1.132 -7.254 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.506 0.450 -6.445 1.00 0.00 C ATOM 1184 CD GLU A 75 -24.244 -1.029 -6.245 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -24.666 -1.829 -7.106 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -23.614 -1.388 -5.227 1.00 0.00 O ATOM 0 H GLU A 75 -22.827 2.719 -5.419 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.820 0.139 -6.203 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.717 2.159 -7.459 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.321 0.629 -8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -24.589 0.935 -5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -25.463 0.581 -6.949 1.00 0.00 H new ATOM 1193 N VAL A 76 -20.773 2.859 -7.721 1.00 0.00 N ATOM 1194 CA VAL A 76 -19.776 3.363 -8.663 1.00 0.00 C ATOM 1195 C VAL A 76 -18.404 3.550 -8.012 1.00 0.00 C ATOM 1196 O VAL A 76 -17.376 3.278 -8.634 1.00 0.00 O ATOM 1197 CB VAL A 76 -20.227 4.692 -9.304 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -21.587 4.532 -9.966 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -20.261 5.811 -8.275 1.00 0.00 C ATOM 0 H VAL A 76 -21.286 3.583 -7.218 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.684 2.605 -9.440 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.499 4.961 -10.070 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -21.888 5.480 -10.412 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -21.527 3.769 -10.742 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -22.322 4.233 -9.219 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -20.582 6.736 -8.754 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -20.960 5.553 -7.479 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.265 5.948 -7.853 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.387 4.015 -6.763 1.00 0.00 N ATOM 1210 CA ILE A 77 -17.129 4.232 -6.048 1.00 0.00 C ATOM 1211 C ILE A 77 -16.322 2.938 -5.959 1.00 0.00 C ATOM 1212 O ILE A 77 -15.097 2.947 -6.078 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.372 4.785 -4.621 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -17.631 6.294 -4.665 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -16.192 4.480 -3.705 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -19.053 6.660 -5.027 1.00 0.00 C ATOM 0 H ILE A 77 -19.224 4.247 -6.228 1.00 0.00 H new ATOM 0 HA ILE A 77 -16.564 4.971 -6.616 1.00 0.00 H new ATOM 0 HB ILE A 77 -18.254 4.289 -4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.392 6.723 -3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -16.954 6.748 -5.388 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.390 4.880 -2.711 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -16.051 3.401 -3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.290 4.941 -4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.158 7.745 -5.038 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.291 6.263 -6.014 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -19.736 6.237 -4.291 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.022 1.830 -5.755 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.382 0.526 -5.636 1.00 0.00 C ATOM 1230 C ILE A 78 -15.790 0.061 -6.967 1.00 0.00 C ATOM 1231 O ILE A 78 -14.787 -0.653 -6.990 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.381 -0.530 -5.101 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.211 -0.708 -3.587 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -17.226 -1.864 -5.823 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -15.854 -1.245 -3.178 1.00 0.00 C ATOM 0 H ILE A 78 -18.038 1.808 -5.668 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.564 0.633 -4.924 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.389 -0.166 -5.299 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -17.373 0.253 -3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -17.983 -1.385 -3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -17.943 -2.580 -5.422 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -17.410 -1.725 -6.888 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -16.214 -2.242 -5.676 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -15.813 -1.342 -2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -15.696 -2.221 -3.636 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.076 -0.558 -3.510 1.00 0.00 H new ATOM 1247 N GLN A 79 -16.402 0.472 -8.073 1.00 0.00 N ATOM 1248 CA GLN A 79 -15.934 0.073 -9.397 1.00 0.00 C ATOM 1249 C GLN A 79 -14.621 0.760 -9.756 1.00 0.00 C ATOM 1250 O GLN A 79 -13.955 0.374 -10.715 1.00 0.00 O ATOM 1251 CB GLN A 79 -16.988 0.408 -10.451 1.00 0.00 C ATOM 1252 CG GLN A 79 -18.298 -0.336 -10.270 1.00 0.00 C ATOM 1253 CD GLN A 79 -19.346 0.081 -11.282 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -19.026 0.417 -12.423 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -20.607 0.074 -10.866 1.00 0.00 N ATOM 0 H GLN A 79 -17.221 1.080 -8.080 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.764 -1.003 -9.376 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.184 1.480 -10.426 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -16.586 0.180 -11.438 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.119 -1.408 -10.358 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -18.678 -0.158 -9.264 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -20.828 -0.212 -9.912 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -21.355 0.354 -11.500 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.250 1.776 -8.983 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.019 2.514 -9.239 1.00 0.00 C ATOM 1266 C ARG A 80 -11.799 1.673 -8.886 1.00 0.00 C ATOM 1267 O ARG A 80 -10.744 1.799 -9.508 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.000 3.813 -8.430 1.00 0.00 C ATOM 1269 CG ARG A 80 -14.213 4.701 -8.656 1.00 0.00 C ATOM 1270 CD ARG A 80 -14.254 5.249 -10.075 1.00 0.00 C ATOM 1271 NE ARG A 80 -15.364 6.179 -10.268 1.00 0.00 N ATOM 1272 CZ ARG A 80 -15.617 6.796 -11.418 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -14.846 6.581 -12.477 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -16.646 7.629 -11.512 1.00 0.00 N ATOM 0 H ARG A 80 -14.782 2.106 -8.178 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.984 2.752 -10.302 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.935 3.568 -7.370 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.100 4.373 -8.683 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.122 4.132 -8.459 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.195 5.529 -7.947 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -13.314 5.755 -10.296 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.345 4.423 -10.781 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.979 6.365 -9.476 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.055 5.940 -12.411 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.044 7.057 -13.357 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.243 7.796 -10.702 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -16.840 8.102 -12.394 1.00 0.00 H new ATOM 1288 N LEU A 81 -11.951 0.816 -7.883 1.00 0.00 N ATOM 1289 CA LEU A 81 -10.858 -0.039 -7.436 1.00 0.00 C ATOM 1290 C LEU A 81 -11.024 -1.465 -7.955 1.00 0.00 C ATOM 1291 O LEU A 81 -10.045 -2.125 -8.301 1.00 0.00 O ATOM 1292 CB LEU A 81 -10.788 -0.045 -5.906 1.00 0.00 C ATOM 1293 CG LEU A 81 -11.110 1.293 -5.232 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -10.992 1.170 -3.721 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -10.195 2.396 -5.748 1.00 0.00 C ATOM 0 H LEU A 81 -12.821 0.695 -7.364 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.928 0.363 -7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.480 -0.799 -5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.787 -0.353 -5.605 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.137 1.559 -5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.224 2.129 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.692 0.415 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.976 0.877 -3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.444 3.336 -5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.158 2.138 -5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.328 2.505 -6.824 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.269 -1.933 -8.005 1.00 0.00 N ATOM 1308 CA ASP A 82 -12.563 -3.283 -8.475 1.00 0.00 C ATOM 1309 C ASP A 82 -12.185 -3.448 -9.947 1.00 0.00 C ATOM 1310 O ASP A 82 -13.009 -3.242 -10.839 1.00 0.00 O ATOM 1311 CB ASP A 82 -14.047 -3.600 -8.276 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.298 -5.082 -8.086 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.511 -5.892 -8.619 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -15.282 -5.433 -7.401 1.00 0.00 O ATOM 0 H ASP A 82 -13.090 -1.396 -7.726 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.966 -3.982 -7.889 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.419 -3.056 -7.407 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.611 -3.246 -9.139 1.00 0.00 H new ATOM 1319 N MET A 83 -10.932 -3.819 -10.188 1.00 0.00 N ATOM 1320 CA MET A 83 -10.431 -4.010 -11.545 1.00 0.00 C ATOM 1321 C MET A 83 -11.114 -5.184 -12.243 1.00 0.00 C ATOM 1322 O MET A 83 -11.751 -5.012 -13.282 1.00 0.00 O ATOM 1323 CB MET A 83 -8.917 -4.232 -11.517 1.00 0.00 C ATOM 1324 CG MET A 83 -8.151 -3.088 -10.872 1.00 0.00 C ATOM 1325 SD MET A 83 -8.415 -1.516 -11.715 1.00 0.00 S ATOM 1326 CE MET A 83 -7.472 -0.407 -10.671 1.00 0.00 C ATOM 0 H MET A 83 -10.242 -3.994 -9.458 1.00 0.00 H new ATOM 0 HA MET A 83 -10.660 -3.107 -12.111 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.702 -5.154 -10.976 1.00 0.00 H new ATOM 0 HB3 MET A 83 -8.559 -4.370 -12.537 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.456 -2.993 -9.830 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.086 -3.322 -10.872 1.00 0.00 H new ATOM 0 HE1 MET A 83 -8.080 0.463 -10.422 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.186 -0.924 -9.755 1.00 0.00 H new ATOM 0 HE3 MET A 83 -6.575 -0.084 -11.200 1.00 0.00 H new ATOM 1336 N ASP A 84 -10.980 -6.376 -11.666 1.00 0.00 N ATOM 1337 CA ASP A 84 -11.576 -7.576 -12.251 1.00 0.00 C ATOM 1338 C ASP A 84 -13.101 -7.538 -12.170 1.00 0.00 C ATOM 1339 O ASP A 84 -13.787 -8.220 -12.932 1.00 0.00 O ATOM 1340 CB ASP A 84 -11.038 -8.831 -11.560 1.00 0.00 C ATOM 1341 CG ASP A 84 -11.234 -8.800 -10.059 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -10.551 -8.000 -9.386 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -12.067 -9.579 -9.555 1.00 0.00 O ATOM 0 H ASP A 84 -10.467 -6.537 -10.799 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.298 -7.606 -13.304 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.538 -9.709 -11.970 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.976 -8.936 -11.782 1.00 0.00 H new ATOM 1348 N GLY A 85 -13.624 -6.739 -11.246 1.00 0.00 N ATOM 1349 CA GLY A 85 -15.064 -6.613 -11.096 1.00 0.00 C ATOM 1350 C GLY A 85 -15.702 -7.786 -10.375 1.00 0.00 C ATOM 1351 O GLY A 85 -16.745 -8.285 -10.799 1.00 0.00 O ATOM 0 H GLY A 85 -13.076 -6.175 -10.597 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.286 -5.696 -10.549 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.517 -6.513 -12.082 1.00 0.00 H new ATOM 1355 N ASP A 86 -15.084 -8.227 -9.284 1.00 0.00 N ATOM 1356 CA ASP A 86 -15.616 -9.342 -8.506 1.00 0.00 C ATOM 1357 C ASP A 86 -16.581 -8.837 -7.438 1.00 0.00 C ATOM 1358 O ASP A 86 -16.956 -9.577 -6.528 1.00 0.00 O ATOM 1359 CB ASP A 86 -14.481 -10.129 -7.850 1.00 0.00 C ATOM 1360 CG ASP A 86 -13.687 -9.291 -6.865 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -12.916 -8.419 -7.315 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -13.838 -9.509 -5.645 1.00 0.00 O ATOM 0 H ASP A 86 -14.218 -7.832 -8.919 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.156 -10.002 -9.185 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.895 -10.996 -7.334 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.812 -10.507 -8.623 1.00 0.00 H new ATOM 1367 N GLY A 87 -16.977 -7.575 -7.559 1.00 0.00 N ATOM 1368 CA GLY A 87 -17.891 -6.987 -6.598 1.00 0.00 C ATOM 1369 C GLY A 87 -17.187 -6.536 -5.333 1.00 0.00 C ATOM 1370 O GLY A 87 -17.737 -5.761 -4.550 1.00 0.00 O ATOM 0 H GLY A 87 -16.681 -6.948 -8.307 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.395 -6.135 -7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.662 -7.714 -6.342 1.00 0.00 H new ATOM 1374 N GLN A 88 -15.965 -7.023 -5.137 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.179 -6.670 -3.961 1.00 0.00 C ATOM 1376 C GLN A 88 -13.786 -6.194 -4.364 1.00 0.00 C ATOM 1377 O GLN A 88 -13.322 -6.474 -5.470 1.00 0.00 O ATOM 1378 CB GLN A 88 -15.072 -7.871 -3.019 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.417 -8.492 -2.674 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.294 -9.658 -1.712 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -16.401 -9.372 -0.420 1.00 0.00 O flip ATOM 1382 NE2 GLN A 88 -16.113 -10.803 -2.126 1.00 0.00 N flip ATOM 0 H GLN A 88 -15.498 -7.664 -5.779 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.684 -5.855 -3.443 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.438 -8.629 -3.479 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.578 -7.558 -2.099 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -17.062 -7.731 -2.235 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -16.901 -8.831 -3.590 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.037 -10.977 -3.128 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.039 -11.578 -1.467 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.126 -5.474 -3.463 1.00 0.00 N ATOM 1392 CA VAL A 89 -11.790 -4.954 -3.729 1.00 0.00 C ATOM 1393 C VAL A 89 -10.745 -5.636 -2.851 1.00 0.00 C ATOM 1394 O VAL A 89 -10.902 -5.722 -1.632 1.00 0.00 O ATOM 1395 CB VAL A 89 -11.728 -3.431 -3.499 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.355 -2.887 -3.865 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -12.818 -2.730 -4.296 1.00 0.00 C ATOM 0 H VAL A 89 -13.495 -5.237 -2.542 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.570 -5.167 -4.775 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.897 -3.234 -2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.333 -1.811 -3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.597 -3.367 -3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.150 -3.093 -4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.761 -1.655 -4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -12.681 -2.934 -5.358 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.794 -3.097 -3.979 1.00 0.00 H new ATOM 1407 N ASP A 90 -9.679 -6.119 -3.483 1.00 0.00 N ATOM 1408 CA ASP A 90 -8.602 -6.794 -2.767 1.00 0.00 C ATOM 1409 C ASP A 90 -7.554 -5.794 -2.281 1.00 0.00 C ATOM 1410 O ASP A 90 -7.401 -4.716 -2.857 1.00 0.00 O ATOM 1411 CB ASP A 90 -7.945 -7.847 -3.664 1.00 0.00 C ATOM 1412 CG ASP A 90 -6.838 -8.603 -2.956 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -7.137 -9.643 -2.330 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -5.675 -8.156 -3.028 1.00 0.00 O ATOM 0 H ASP A 90 -9.538 -6.055 -4.491 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.034 -7.287 -1.896 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.702 -8.553 -4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.539 -7.362 -4.552 1.00 0.00 H new ATOM 1419 N PHE A 91 -6.842 -6.157 -1.219 1.00 0.00 N ATOM 1420 CA PHE A 91 -5.812 -5.293 -0.647 1.00 0.00 C ATOM 1421 C PHE A 91 -4.841 -4.786 -1.712 1.00 0.00 C ATOM 1422 O PHE A 91 -4.677 -3.579 -1.884 1.00 0.00 O ATOM 1423 CB PHE A 91 -5.039 -6.043 0.442 1.00 0.00 C ATOM 1424 CG PHE A 91 -3.890 -5.262 1.021 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -4.092 -4.003 1.567 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.610 -5.790 1.021 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -3.037 -3.288 2.102 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.551 -5.079 1.555 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.765 -3.826 2.095 1.00 0.00 C ATOM 0 H PHE A 91 -6.959 -7.047 -0.735 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.314 -4.429 -0.212 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.727 -6.308 1.245 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.659 -6.976 0.027 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.084 -3.577 1.574 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.437 -6.769 0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.207 -2.309 2.525 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.558 -5.503 1.550 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.939 -3.268 2.511 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.209 -5.718 -2.423 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.237 -5.381 -3.463 1.00 0.00 C ATOM 1441 C GLU A 92 -3.735 -4.262 -4.377 1.00 0.00 C ATOM 1442 O GLU A 92 -3.091 -3.224 -4.503 1.00 0.00 O ATOM 1443 CB GLU A 92 -2.903 -6.619 -4.295 1.00 0.00 C ATOM 1444 CG GLU A 92 -2.257 -7.735 -3.489 1.00 0.00 C ATOM 1445 CD GLU A 92 -1.980 -8.971 -4.322 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -0.959 -8.986 -5.041 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -2.786 -9.923 -4.256 1.00 0.00 O ATOM 0 H GLU A 92 -4.354 -6.720 -2.297 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.339 -5.022 -2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.817 -6.996 -4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.233 -6.332 -5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.322 -7.374 -3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.909 -8.001 -2.657 1.00 0.00 H new ATOM 1454 N GLU A 93 -4.875 -4.483 -5.021 1.00 0.00 N ATOM 1455 CA GLU A 93 -5.450 -3.492 -5.929 1.00 0.00 C ATOM 1456 C GLU A 93 -5.502 -2.100 -5.295 1.00 0.00 C ATOM 1457 O GLU A 93 -5.433 -1.087 -5.994 1.00 0.00 O ATOM 1458 CB GLU A 93 -6.859 -3.920 -6.345 1.00 0.00 C ATOM 1459 CG GLU A 93 -6.902 -5.242 -7.094 1.00 0.00 C ATOM 1460 CD GLU A 93 -8.317 -5.718 -7.354 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -8.901 -5.311 -8.381 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -8.841 -6.499 -6.532 1.00 0.00 O ATOM 0 H GLU A 93 -5.421 -5.340 -4.933 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.805 -3.437 -6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.483 -3.997 -5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.294 -3.143 -6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.378 -5.134 -8.044 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.368 -5.999 -6.519 1.00 0.00 H new ATOM 1469 N PHE A 94 -5.611 -2.055 -3.971 1.00 0.00 N ATOM 1470 CA PHE A 94 -5.695 -0.787 -3.253 1.00 0.00 C ATOM 1471 C PHE A 94 -4.315 -0.234 -2.887 1.00 0.00 C ATOM 1472 O PHE A 94 -4.158 0.973 -2.707 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.539 -0.958 -1.987 1.00 0.00 C ATOM 1474 CG PHE A 94 -6.857 0.335 -1.290 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.546 1.342 -1.950 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.467 0.545 0.022 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -7.840 2.532 -1.312 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.760 1.732 0.666 1.00 0.00 C ATOM 1479 CZ PHE A 94 -7.446 2.728 -0.002 1.00 0.00 C ATOM 0 H PHE A 94 -5.643 -2.881 -3.373 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.169 -0.067 -3.920 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.472 -1.458 -2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.010 -1.613 -1.294 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.856 1.194 -2.974 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.927 -0.228 0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.377 3.308 -1.837 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.453 1.881 1.691 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.674 3.658 0.498 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.319 -1.111 -2.777 1.00 0.00 N ATOM 1490 CA VAL A 95 -1.969 -0.675 -2.419 1.00 0.00 C ATOM 1491 C VAL A 95 -1.320 0.129 -3.543 1.00 0.00 C ATOM 1492 O VAL A 95 -0.509 1.019 -3.288 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.051 -1.863 -2.049 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -1.812 -2.899 -1.240 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -0.429 -2.495 -3.288 1.00 0.00 C ATOM 0 H VAL A 95 -3.417 -2.115 -2.928 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.083 -0.037 -1.542 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.239 -1.474 -1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.147 -3.726 -0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.184 -2.443 -0.323 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.652 -3.273 -1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.210 -3.326 -2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.218 -2.861 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.167 -1.751 -3.816 1.00 0.00 H new ATOM 1505 N THR A 96 -1.677 -0.186 -4.786 1.00 0.00 N ATOM 1506 CA THR A 96 -1.116 0.510 -5.938 1.00 0.00 C ATOM 1507 C THR A 96 -1.820 1.839 -6.185 1.00 0.00 C ATOM 1508 O THR A 96 -1.171 2.861 -6.409 1.00 0.00 O ATOM 1509 CB THR A 96 -1.213 -0.353 -7.211 1.00 0.00 C ATOM 1510 OG1 THR A 96 -0.629 -1.639 -6.975 1.00 0.00 O ATOM 1511 CG2 THR A 96 -0.510 0.322 -8.379 1.00 0.00 C ATOM 0 H THR A 96 -2.350 -0.916 -5.019 1.00 0.00 H new ATOM 0 HA THR A 96 -0.067 0.701 -5.710 1.00 0.00 H new ATOM 0 HB THR A 96 -2.267 -0.472 -7.463 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.696 -2.183 -7.788 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.592 -0.307 -9.266 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.975 1.288 -8.575 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.542 0.469 -8.135 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.149 1.820 -6.144 1.00 0.00 N ATOM 1520 CA LEU A 97 -3.932 3.031 -6.367 1.00 0.00 C ATOM 1521 C LEU A 97 -3.637 4.075 -5.294 1.00 0.00 C ATOM 1522 O LEU A 97 -3.856 5.269 -5.499 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.426 2.699 -6.385 1.00 0.00 C ATOM 1524 CG LEU A 97 -5.855 1.707 -7.468 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -7.336 1.388 -7.339 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -5.549 2.258 -8.853 1.00 0.00 C ATOM 0 H LEU A 97 -3.704 0.984 -5.959 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.650 3.446 -7.334 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.705 2.294 -5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.987 3.624 -6.518 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.288 0.786 -7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.625 0.681 -8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.530 0.950 -6.360 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -7.916 2.304 -7.448 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.862 1.537 -9.609 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.088 3.194 -8.999 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.478 2.438 -8.945 1.00 0.00 H new ATOM 1538 N LEU A 98 -3.141 3.615 -4.150 1.00 0.00 N ATOM 1539 CA LEU A 98 -2.810 4.507 -3.046 1.00 0.00 C ATOM 1540 C LEU A 98 -1.299 4.684 -2.929 1.00 0.00 C ATOM 1541 O LEU A 98 -0.819 5.619 -2.288 1.00 0.00 O ATOM 1542 CB LEU A 98 -3.383 3.955 -1.736 1.00 0.00 C ATOM 1543 CG LEU A 98 -3.206 4.857 -0.511 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -4.434 4.785 0.382 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -1.961 4.459 0.269 1.00 0.00 C ATOM 0 H LEU A 98 -2.960 2.629 -3.964 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.254 5.483 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.447 3.765 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.912 2.994 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.085 5.884 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.292 5.431 1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.310 5.114 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.581 3.758 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.851 5.111 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.055 3.425 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.084 4.556 -0.371 1.00 0.00 H new