USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=8 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+ -151:sc= -1.32 (180deg=-1.89) USER MOD Single : A 50 ASN : amide:sc= -1.56 K(o=-1.6,f=-8.2!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.262 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.174 F(o=-1.2,f=-0.17) USER MOD Single : A 60 THR OG1 : rot 140:sc= -0.0276 USER MOD Single : A 62 MET CE :methyl 152:sc= 0 (180deg=-0.258) 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 : amide:sc= -0.299 X(o=-0.3,f=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -1.79 X(o=-1.8,f=-1.3) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 544 N LEU A 35 3.032 0.146 5.410 1.00 0.00 N ATOM 545 CA LEU A 35 2.045 -0.716 4.771 1.00 0.00 C ATOM 546 C LEU A 35 0.903 -1.019 5.732 1.00 0.00 C ATOM 547 O LEU A 35 -0.249 -1.160 5.321 1.00 0.00 O ATOM 548 CB LEU A 35 2.690 -2.022 4.302 1.00 0.00 C ATOM 549 CG LEU A 35 1.822 -2.868 3.371 1.00 0.00 C ATOM 550 CD1 LEU A 35 2.069 -2.490 1.918 1.00 0.00 C ATOM 551 CD2 LEU A 35 2.086 -4.348 3.593 1.00 0.00 C ATOM 0 HA LEU A 35 1.648 -0.191 3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.624 -1.787 3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.947 -2.618 5.177 1.00 0.00 H new ATOM 0 HG LEU A 35 0.776 -2.669 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.442 -3.103 1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.825 -1.438 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.118 -2.657 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.459 -4.934 2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.135 -4.565 3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.854 -4.608 4.626 1.00 0.00 H new ATOM 563 N GLU A 36 1.235 -1.117 7.016 1.00 0.00 N ATOM 564 CA GLU A 36 0.240 -1.398 8.045 1.00 0.00 C ATOM 565 C GLU A 36 -0.827 -0.309 8.074 1.00 0.00 C ATOM 566 O GLU A 36 -1.976 -0.563 8.434 1.00 0.00 O ATOM 567 CB GLU A 36 0.908 -1.506 9.418 1.00 0.00 C ATOM 568 CG GLU A 36 1.905 -2.648 9.523 1.00 0.00 C ATOM 569 CD GLU A 36 2.613 -2.679 10.864 1.00 0.00 C ATOM 570 OE1 GLU A 36 2.022 -3.192 11.837 1.00 0.00 O ATOM 571 OE2 GLU A 36 3.758 -2.187 10.942 1.00 0.00 O ATOM 0 H GLU A 36 2.186 -1.006 7.368 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.236 -2.349 7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.418 -0.568 9.639 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.138 -1.637 10.178 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.387 -3.594 9.367 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.644 -2.555 8.727 1.00 0.00 H new ATOM 578 N GLU A 37 -0.437 0.903 7.690 1.00 0.00 N ATOM 579 CA GLU A 37 -1.359 2.034 7.668 1.00 0.00 C ATOM 580 C GLU A 37 -2.413 1.847 6.582 1.00 0.00 C ATOM 581 O GLU A 37 -3.557 2.281 6.729 1.00 0.00 O ATOM 582 CB GLU A 37 -0.592 3.338 7.440 1.00 0.00 C ATOM 583 CG GLU A 37 -1.481 4.571 7.400 1.00 0.00 C ATOM 584 CD GLU A 37 -0.689 5.855 7.241 1.00 0.00 C ATOM 585 OE1 GLU A 37 -0.431 6.253 6.084 1.00 0.00 O ATOM 586 OE2 GLU A 37 -0.329 6.461 8.270 1.00 0.00 O ATOM 0 H GLU A 37 0.512 1.127 7.390 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.863 2.086 8.633 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.146 3.459 8.233 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.042 3.267 6.501 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.187 4.479 6.575 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.068 4.621 8.317 1.00 0.00 H new ATOM 593 N ILE A 38 -2.018 1.198 5.491 1.00 0.00 N ATOM 594 CA ILE A 38 -2.925 0.946 4.378 1.00 0.00 C ATOM 595 C ILE A 38 -4.029 -0.019 4.789 1.00 0.00 C ATOM 596 O ILE A 38 -5.219 0.300 4.716 1.00 0.00 O ATOM 597 CB ILE A 38 -2.180 0.352 3.166 1.00 0.00 C ATOM 598 CG1 ILE A 38 -0.852 1.080 2.945 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.055 0.431 1.923 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.036 0.524 1.796 1.00 0.00 C ATOM 0 H ILE A 38 -1.074 0.837 5.355 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.357 1.907 4.097 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.961 -0.697 3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.053 2.135 2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.261 1.024 3.859 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.519 0.009 1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.974 -0.132 2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.300 1.473 1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.891 1.090 1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.197 -0.523 1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.607 0.605 0.871 1.00 0.00 H new ATOM 612 N ARG A 39 -3.616 -1.204 5.226 1.00 0.00 N ATOM 613 CA ARG A 39 -4.548 -2.239 5.646 1.00 0.00 C ATOM 614 C ARG A 39 -5.397 -1.777 6.823 1.00 0.00 C ATOM 615 O ARG A 39 -6.609 -1.669 6.706 1.00 0.00 O ATOM 616 CB ARG A 39 -3.785 -3.511 6.011 1.00 0.00 C ATOM 617 CG ARG A 39 -2.929 -4.035 4.872 1.00 0.00 C ATOM 618 CD ARG A 39 -1.876 -5.014 5.359 1.00 0.00 C ATOM 619 NE ARG A 39 -2.460 -6.290 5.764 1.00 0.00 N ATOM 620 CZ ARG A 39 -1.743 -7.330 6.176 1.00 0.00 C ATOM 621 NH1 ARG A 39 -0.422 -7.240 6.257 1.00 0.00 N ATOM 622 NH2 ARG A 39 -2.347 -8.462 6.512 1.00 0.00 N ATOM 0 H ARG A 39 -2.634 -1.471 5.298 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.219 -2.449 4.813 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.150 -3.312 6.874 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.496 -4.282 6.309 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.566 -4.524 4.135 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.443 -3.199 4.369 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.146 -5.184 4.568 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.338 -4.578 6.201 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.475 -6.388 5.729 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.046 -6.370 6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.125 -8.040 6.574 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.363 -8.535 6.454 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.796 -9.260 6.828 1.00 0.00 H new ATOM 636 N GLU A 40 -4.753 -1.477 7.945 1.00 0.00 N ATOM 637 CA GLU A 40 -5.467 -1.040 9.145 1.00 0.00 C ATOM 638 C GLU A 40 -6.640 -0.122 8.798 1.00 0.00 C ATOM 639 O GLU A 40 -7.679 -0.159 9.447 1.00 0.00 O ATOM 640 CB GLU A 40 -4.501 -0.323 10.096 1.00 0.00 C ATOM 641 CG GLU A 40 -5.055 -0.105 11.497 1.00 0.00 C ATOM 642 CD GLU A 40 -6.047 1.040 11.569 1.00 0.00 C ATOM 643 OE1 GLU A 40 -5.633 2.199 11.355 1.00 0.00 O ATOM 644 OE2 GLU A 40 -7.236 0.778 11.845 1.00 0.00 O ATOM 0 H GLU A 40 -3.740 -1.527 8.052 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.871 -1.925 9.636 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.581 -0.903 10.167 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.236 0.644 9.667 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.539 -1.020 11.837 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.230 0.092 12.182 1.00 0.00 H new ATOM 651 N ALA A 41 -6.483 0.675 7.748 1.00 0.00 N ATOM 652 CA ALA A 41 -7.527 1.604 7.331 1.00 0.00 C ATOM 653 C ALA A 41 -8.787 0.895 6.817 1.00 0.00 C ATOM 654 O ALA A 41 -9.755 0.690 7.561 1.00 0.00 O ATOM 655 CB ALA A 41 -6.989 2.548 6.266 1.00 0.00 C ATOM 0 H ALA A 41 -5.643 0.697 7.170 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.820 2.169 8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.776 3.238 5.961 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.148 3.112 6.671 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.657 1.971 5.403 1.00 0.00 H new ATOM 661 N PHE A 42 -8.766 0.494 5.551 1.00 0.00 N ATOM 662 CA PHE A 42 -9.930 -0.136 4.936 1.00 0.00 C ATOM 663 C PHE A 42 -10.085 -1.603 5.329 1.00 0.00 C ATOM 664 O PHE A 42 -11.195 -2.136 5.319 1.00 0.00 O ATOM 665 CB PHE A 42 -9.857 0.015 3.418 1.00 0.00 C ATOM 666 CG PHE A 42 -10.268 1.382 2.946 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.394 2.454 3.033 1.00 0.00 C ATOM 668 CD2 PHE A 42 -11.534 1.594 2.425 1.00 0.00 C ATOM 669 CE1 PHE A 42 -9.776 3.713 2.607 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.921 2.850 1.998 1.00 0.00 C ATOM 671 CZ PHE A 42 -11.043 3.910 2.089 1.00 0.00 C ATOM 0 H PHE A 42 -7.961 0.593 4.933 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.816 0.377 5.311 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.839 -0.187 3.086 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.499 -0.733 2.952 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.404 2.305 3.438 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -12.226 0.768 2.352 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.086 4.541 2.679 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.911 3.002 1.593 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.345 4.892 1.756 1.00 0.00 H new ATOM 681 N LYS A 43 -8.985 -2.251 5.680 1.00 0.00 N ATOM 682 CA LYS A 43 -9.027 -3.655 6.071 1.00 0.00 C ATOM 683 C LYS A 43 -9.892 -3.853 7.315 1.00 0.00 C ATOM 684 O LYS A 43 -10.628 -4.837 7.405 1.00 0.00 O ATOM 685 CB LYS A 43 -7.617 -4.202 6.317 1.00 0.00 C ATOM 686 CG LYS A 43 -7.442 -5.655 5.901 1.00 0.00 C ATOM 687 CD LYS A 43 -7.680 -5.845 4.408 1.00 0.00 C ATOM 688 CE LYS A 43 -6.748 -4.981 3.570 1.00 0.00 C ATOM 689 NZ LYS A 43 -7.043 -5.098 2.116 1.00 0.00 N ATOM 0 H LYS A 43 -8.056 -1.831 5.703 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.474 -4.211 5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.899 -3.589 5.772 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.380 -4.106 7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.435 -5.988 6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.135 -6.281 6.463 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.535 -6.893 4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.715 -5.598 4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.844 -3.940 3.877 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.715 -5.275 3.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.172 -4.936 1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.408 -6.050 1.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.756 -4.389 1.848 1.00 0.00 H new ATOM 703 N VAL A 44 -9.811 -2.928 8.277 1.00 0.00 N ATOM 704 CA VAL A 44 -10.619 -3.054 9.487 1.00 0.00 C ATOM 705 C VAL A 44 -12.094 -2.824 9.182 1.00 0.00 C ATOM 706 O VAL A 44 -12.959 -3.453 9.789 1.00 0.00 O ATOM 707 CB VAL A 44 -10.180 -2.090 10.609 1.00 0.00 C ATOM 708 CG1 VAL A 44 -8.726 -2.330 10.985 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.411 -0.643 10.206 1.00 0.00 C ATOM 0 H VAL A 44 -9.209 -2.105 8.242 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.465 -4.073 9.843 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.793 -2.290 11.488 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.437 -1.640 11.778 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.605 -3.355 11.334 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.093 -2.167 10.113 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.093 0.015 11.015 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.835 -0.419 9.308 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.471 -0.486 10.006 1.00 0.00 H new ATOM 719 N PHE A 45 -12.387 -1.919 8.242 1.00 0.00 N ATOM 720 CA PHE A 45 -13.778 -1.652 7.878 1.00 0.00 C ATOM 721 C PHE A 45 -14.456 -2.929 7.391 1.00 0.00 C ATOM 722 O PHE A 45 -15.683 -3.014 7.345 1.00 0.00 O ATOM 723 CB PHE A 45 -13.878 -0.557 6.812 1.00 0.00 C ATOM 724 CG PHE A 45 -13.598 0.823 7.343 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.313 1.322 8.421 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.623 1.618 6.765 1.00 0.00 C ATOM 727 CE1 PHE A 45 -14.061 2.590 8.911 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.366 2.886 7.250 1.00 0.00 C ATOM 729 CZ PHE A 45 -13.085 3.372 8.325 1.00 0.00 C ATOM 0 H PHE A 45 -11.695 -1.371 7.731 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.292 -1.297 8.771 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.176 -0.778 6.008 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.877 -0.575 6.377 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -15.076 0.713 8.883 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.057 1.243 5.925 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.626 2.968 9.750 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.604 3.497 6.789 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.884 4.362 8.707 1.00 0.00 H new ATOM 739 N ASP A 46 -13.645 -3.920 7.025 1.00 0.00 N ATOM 740 CA ASP A 46 -14.163 -5.202 6.559 1.00 0.00 C ATOM 741 C ASP A 46 -14.751 -5.980 7.735 1.00 0.00 C ATOM 742 O ASP A 46 -14.059 -6.764 8.386 1.00 0.00 O ATOM 743 CB ASP A 46 -13.049 -6.007 5.886 1.00 0.00 C ATOM 744 CG ASP A 46 -13.583 -7.158 5.058 1.00 0.00 C ATOM 745 OD1 ASP A 46 -14.649 -6.990 4.429 1.00 0.00 O ATOM 746 OD2 ASP A 46 -12.933 -8.222 5.029 1.00 0.00 O ATOM 0 H ASP A 46 -12.627 -3.858 7.043 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.951 -5.025 5.826 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.463 -5.346 5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.374 -6.395 6.649 1.00 0.00 H new ATOM 751 N ARG A 47 -16.034 -5.750 7.997 1.00 0.00 N ATOM 752 CA ARG A 47 -16.736 -6.391 9.107 1.00 0.00 C ATOM 753 C ARG A 47 -16.618 -7.916 9.081 1.00 0.00 C ATOM 754 O ARG A 47 -16.407 -8.541 10.121 1.00 0.00 O ATOM 755 CB ARG A 47 -18.209 -5.979 9.092 1.00 0.00 C ATOM 756 CG ARG A 47 -18.409 -4.472 9.095 1.00 0.00 C ATOM 757 CD ARG A 47 -19.882 -4.106 9.098 1.00 0.00 C ATOM 758 NE ARG A 47 -20.088 -2.661 9.165 1.00 0.00 N ATOM 759 CZ ARG A 47 -21.287 -2.085 9.161 1.00 0.00 C ATOM 760 NH1 ARG A 47 -22.385 -2.828 9.106 1.00 0.00 N ATOM 761 NH2 ARG A 47 -21.390 -0.763 9.217 1.00 0.00 N ATOM 0 H ARG A 47 -16.616 -5.117 7.449 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.261 -6.053 10.028 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.689 -6.401 8.209 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.708 -6.407 9.961 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.924 -4.041 9.971 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -17.927 -4.038 8.219 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.355 -4.498 8.197 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.372 -4.582 9.948 1.00 0.00 H new ATOM 0 HE ARG A 47 -19.266 -2.060 9.218 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.311 -3.845 9.067 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.303 -2.383 9.103 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -20.549 -0.187 9.263 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -22.310 -0.323 9.214 1.00 0.00 H new ATOM 775 N ASP A 48 -16.755 -8.514 7.901 1.00 0.00 N ATOM 776 CA ASP A 48 -16.668 -9.968 7.777 1.00 0.00 C ATOM 777 C ASP A 48 -15.217 -10.438 7.796 1.00 0.00 C ATOM 778 O ASP A 48 -14.936 -11.608 8.058 1.00 0.00 O ATOM 779 CB ASP A 48 -17.357 -10.439 6.495 1.00 0.00 C ATOM 780 CG ASP A 48 -16.990 -9.587 5.298 1.00 0.00 C ATOM 781 OD1 ASP A 48 -15.790 -9.285 5.131 1.00 0.00 O ATOM 782 OD2 ASP A 48 -17.903 -9.218 4.530 1.00 0.00 O ATOM 0 H ASP A 48 -16.925 -8.021 7.024 1.00 0.00 H new ATOM 0 HA ASP A 48 -17.179 -10.406 8.634 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -17.083 -11.475 6.298 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -18.438 -10.416 6.637 1.00 0.00 H new ATOM 787 N GLY A 49 -14.302 -9.515 7.519 1.00 0.00 N ATOM 788 CA GLY A 49 -12.887 -9.840 7.519 1.00 0.00 C ATOM 789 C GLY A 49 -12.522 -10.933 6.530 1.00 0.00 C ATOM 790 O GLY A 49 -11.529 -11.635 6.718 1.00 0.00 O ATOM 0 H GLY A 49 -14.516 -8.544 7.294 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.315 -8.942 7.285 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.593 -10.153 8.521 1.00 0.00 H new ATOM 794 N ASN A 50 -13.317 -11.077 5.472 1.00 0.00 N ATOM 795 CA ASN A 50 -13.054 -12.096 4.458 1.00 0.00 C ATOM 796 C ASN A 50 -11.870 -11.699 3.580 1.00 0.00 C ATOM 797 O ASN A 50 -11.379 -12.502 2.787 1.00 0.00 O ATOM 798 CB ASN A 50 -14.293 -12.331 3.591 1.00 0.00 C ATOM 799 CG ASN A 50 -14.904 -11.040 3.082 1.00 0.00 C ATOM 800 OD1 ASN A 50 -14.217 -10.031 2.933 1.00 0.00 O ATOM 801 ND2 ASN A 50 -16.203 -11.067 2.807 1.00 0.00 N ATOM 0 H ASN A 50 -14.143 -10.505 5.295 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.807 -13.023 4.975 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.024 -12.960 2.743 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.038 -12.878 4.169 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -16.668 -10.229 2.458 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -16.736 -11.926 2.945 1.00 0.00 H new ATOM 808 N GLY A 51 -11.421 -10.455 3.725 1.00 0.00 N ATOM 809 CA GLY A 51 -10.296 -9.971 2.941 1.00 0.00 C ATOM 810 C GLY A 51 -10.713 -8.980 1.872 1.00 0.00 C ATOM 811 O GLY A 51 -9.894 -8.201 1.384 1.00 0.00 O ATOM 0 H GLY A 51 -11.816 -9.772 4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.571 -9.500 3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.795 -10.817 2.471 1.00 0.00 H new ATOM 815 N PHE A 52 -11.991 -9.009 1.511 1.00 0.00 N ATOM 816 CA PHE A 52 -12.524 -8.111 0.492 1.00 0.00 C ATOM 817 C PHE A 52 -13.605 -7.216 1.085 1.00 0.00 C ATOM 818 O PHE A 52 -14.414 -7.663 1.896 1.00 0.00 O ATOM 819 CB PHE A 52 -13.099 -8.918 -0.674 1.00 0.00 C ATOM 820 CG PHE A 52 -12.428 -10.247 -0.877 1.00 0.00 C ATOM 821 CD1 PHE A 52 -11.289 -10.353 -1.660 1.00 0.00 C ATOM 822 CD2 PHE A 52 -12.937 -11.389 -0.280 1.00 0.00 C ATOM 823 CE1 PHE A 52 -10.672 -11.576 -1.844 1.00 0.00 C ATOM 824 CE2 PHE A 52 -12.324 -12.614 -0.460 1.00 0.00 C ATOM 825 CZ PHE A 52 -11.189 -12.708 -1.244 1.00 0.00 C ATOM 0 H PHE A 52 -12.680 -9.647 1.910 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.711 -7.484 0.125 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -14.163 -9.081 -0.502 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.010 -8.332 -1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.880 -9.471 -2.131 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.823 -11.321 0.333 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.786 -11.647 -2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.731 -13.497 0.011 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.708 -13.664 -1.387 1.00 0.00 H new ATOM 835 N ILE A 53 -13.620 -5.952 0.678 1.00 0.00 N ATOM 836 CA ILE A 53 -14.607 -5.004 1.186 1.00 0.00 C ATOM 837 C ILE A 53 -15.754 -4.815 0.196 1.00 0.00 C ATOM 838 O ILE A 53 -15.564 -4.278 -0.895 1.00 0.00 O ATOM 839 CB ILE A 53 -13.959 -3.639 1.484 1.00 0.00 C ATOM 840 CG1 ILE A 53 -12.829 -3.802 2.501 1.00 0.00 C ATOM 841 CG2 ILE A 53 -15.001 -2.656 1.998 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.777 -2.723 2.408 1.00 0.00 C ATOM 0 H ILE A 53 -12.964 -5.561 0.002 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.005 -5.420 2.111 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.540 -3.242 0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.252 -3.801 3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.356 -4.773 2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.526 -1.697 2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.778 -2.522 1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.447 -3.044 2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.006 -2.901 3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.327 -2.738 1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.237 -1.750 2.584 1.00 0.00 H new ATOM 854 N SER A 54 -16.946 -5.260 0.590 1.00 0.00 N ATOM 855 CA SER A 54 -18.127 -5.143 -0.260 1.00 0.00 C ATOM 856 C SER A 54 -18.584 -3.690 -0.361 1.00 0.00 C ATOM 857 O SER A 54 -17.998 -2.804 0.261 1.00 0.00 O ATOM 858 CB SER A 54 -19.262 -6.014 0.286 1.00 0.00 C ATOM 859 OG SER A 54 -20.392 -5.977 -0.569 1.00 0.00 O ATOM 0 H SER A 54 -17.118 -5.704 1.492 1.00 0.00 H new ATOM 0 HA SER A 54 -17.862 -5.490 -1.259 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.916 -7.042 0.392 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.543 -5.668 1.281 1.00 0.00 H new ATOM 0 HG SER A 54 -21.101 -6.543 -0.198 1.00 0.00 H new ATOM 865 N LYS A 55 -19.630 -3.451 -1.146 1.00 0.00 N ATOM 866 CA LYS A 55 -20.159 -2.104 -1.333 1.00 0.00 C ATOM 867 C LYS A 55 -20.666 -1.514 -0.019 1.00 0.00 C ATOM 868 O LYS A 55 -20.218 -0.450 0.410 1.00 0.00 O ATOM 869 CB LYS A 55 -21.298 -2.117 -2.357 1.00 0.00 C ATOM 870 CG LYS A 55 -20.906 -2.674 -3.720 1.00 0.00 C ATOM 871 CD LYS A 55 -21.076 -4.186 -3.785 1.00 0.00 C ATOM 872 CE LYS A 55 -22.542 -4.588 -3.719 1.00 0.00 C ATOM 873 NZ LYS A 55 -22.715 -6.067 -3.741 1.00 0.00 N ATOM 0 H LYS A 55 -20.129 -4.174 -1.664 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.343 -1.480 -1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -22.123 -2.708 -1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.668 -1.100 -2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -21.516 -2.206 -4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.869 -2.416 -3.933 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.636 -4.563 -4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.534 -4.650 -2.961 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.988 -4.184 -2.810 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -23.077 -4.148 -4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -23.728 -6.299 -3.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -22.312 -6.451 -4.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -22.226 -6.486 -2.924 1.00 0.00 H new ATOM 887 N GLN A 56 -21.602 -2.215 0.612 1.00 0.00 N ATOM 888 CA GLN A 56 -22.197 -1.763 1.867 1.00 0.00 C ATOM 889 C GLN A 56 -21.137 -1.519 2.940 1.00 0.00 C ATOM 890 O GLN A 56 -21.301 -0.649 3.796 1.00 0.00 O ATOM 891 CB GLN A 56 -23.215 -2.788 2.369 1.00 0.00 C ATOM 892 CG GLN A 56 -24.149 -2.243 3.437 1.00 0.00 C ATOM 893 CD GLN A 56 -24.962 -1.056 2.953 1.00 0.00 C ATOM 894 OE1 GLN A 56 -25.267 -1.029 1.658 1.00 0.00 O flip ATOM 895 NE2 GLN A 56 -25.316 -0.172 3.735 1.00 0.00 N flip ATOM 0 H GLN A 56 -21.968 -3.105 0.273 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.700 -0.816 1.669 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -23.808 -3.142 1.526 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -22.683 -3.651 2.769 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -24.826 -3.034 3.760 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -23.565 -1.947 4.308 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -25.061 -0.231 4.721 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -25.864 0.619 3.397 1.00 0.00 H new ATOM 904 N GLU A 57 -20.054 -2.289 2.894 1.00 0.00 N ATOM 905 CA GLU A 57 -18.979 -2.150 3.870 1.00 0.00 C ATOM 906 C GLU A 57 -18.180 -0.873 3.618 1.00 0.00 C ATOM 907 O GLU A 57 -17.927 -0.093 4.540 1.00 0.00 O ATOM 908 CB GLU A 57 -18.061 -3.373 3.826 1.00 0.00 C ATOM 909 CG GLU A 57 -18.736 -4.649 4.305 1.00 0.00 C ATOM 910 CD GLU A 57 -17.875 -5.880 4.100 1.00 0.00 C ATOM 911 OE1 GLU A 57 -17.085 -6.211 5.008 1.00 0.00 O ATOM 912 OE2 GLU A 57 -17.997 -6.517 3.033 1.00 0.00 O ATOM 0 H GLU A 57 -19.898 -3.014 2.193 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.423 -2.083 4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.709 -3.518 2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.182 -3.182 4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -18.977 -4.552 5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.679 -4.778 3.774 1.00 0.00 H new ATOM 919 N LEU A 58 -17.786 -0.662 2.368 1.00 0.00 N ATOM 920 CA LEU A 58 -17.028 0.529 2.005 1.00 0.00 C ATOM 921 C LEU A 58 -17.858 1.778 2.285 1.00 0.00 C ATOM 922 O LEU A 58 -17.319 2.874 2.440 1.00 0.00 O ATOM 923 CB LEU A 58 -16.638 0.491 0.527 1.00 0.00 C ATOM 924 CG LEU A 58 -15.636 1.566 0.097 1.00 0.00 C ATOM 925 CD1 LEU A 58 -14.213 1.048 0.230 1.00 0.00 C ATOM 926 CD2 LEU A 58 -15.912 2.019 -1.328 1.00 0.00 C ATOM 0 H LEU A 58 -17.977 -1.296 1.592 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.119 0.555 2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.216 -0.489 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.541 0.595 -0.075 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.752 2.427 0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.513 1.824 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -14.020 0.778 1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.085 0.170 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -15.189 2.783 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -15.826 1.168 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -16.919 2.432 -1.390 1.00 0.00 H new ATOM 938 N GLY A 59 -19.176 1.597 2.352 1.00 0.00 N ATOM 939 CA GLY A 59 -20.069 2.709 2.615 1.00 0.00 C ATOM 940 C GLY A 59 -19.876 3.269 4.007 1.00 0.00 C ATOM 941 O GLY A 59 -20.214 4.422 4.276 1.00 0.00 O ATOM 0 H GLY A 59 -19.640 0.697 2.228 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.896 3.495 1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.102 2.382 2.495 1.00 0.00 H new ATOM 945 N THR A 60 -19.331 2.444 4.893 1.00 0.00 N ATOM 946 CA THR A 60 -19.070 2.856 6.265 1.00 0.00 C ATOM 947 C THR A 60 -17.768 3.641 6.327 1.00 0.00 C ATOM 948 O THR A 60 -17.609 4.549 7.143 1.00 0.00 O ATOM 949 CB THR A 60 -18.979 1.645 7.212 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.199 0.894 7.165 1.00 0.00 O ATOM 951 CG2 THR A 60 -18.710 2.089 8.643 1.00 0.00 C ATOM 0 H THR A 60 -19.061 1.483 4.684 1.00 0.00 H new ATOM 0 HA THR A 60 -19.902 3.482 6.589 1.00 0.00 H new ATOM 0 HB THR A 60 -18.150 1.019 6.882 1.00 0.00 H new ATOM 0 HG1 THR A 60 -19.994 -0.064 7.182 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.651 1.214 9.290 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.768 2.635 8.683 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.519 2.736 8.981 1.00 0.00 H new ATOM 959 N ALA A 61 -16.839 3.278 5.449 1.00 0.00 N ATOM 960 CA ALA A 61 -15.545 3.944 5.380 1.00 0.00 C ATOM 961 C ALA A 61 -15.690 5.386 4.901 1.00 0.00 C ATOM 962 O ALA A 61 -15.107 6.303 5.479 1.00 0.00 O ATOM 963 CB ALA A 61 -14.609 3.178 4.457 1.00 0.00 C ATOM 0 H ALA A 61 -16.960 2.523 4.773 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.122 3.962 6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.645 3.685 4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.470 2.166 4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.041 3.133 3.457 1.00 0.00 H new ATOM 969 N MET A 62 -16.470 5.578 3.840 1.00 0.00 N ATOM 970 CA MET A 62 -16.686 6.906 3.273 1.00 0.00 C ATOM 971 C MET A 62 -17.437 7.821 4.239 1.00 0.00 C ATOM 972 O MET A 62 -16.999 8.941 4.506 1.00 0.00 O ATOM 973 CB MET A 62 -17.457 6.797 1.955 1.00 0.00 C ATOM 974 CG MET A 62 -16.695 6.059 0.866 1.00 0.00 C ATOM 975 SD MET A 62 -15.146 6.873 0.430 1.00 0.00 S ATOM 976 CE MET A 62 -14.478 5.715 -0.762 1.00 0.00 C ATOM 0 H MET A 62 -16.964 4.829 3.355 1.00 0.00 H new ATOM 0 HA MET A 62 -15.707 7.347 3.088 1.00 0.00 H new ATOM 0 HB2 MET A 62 -18.402 6.285 2.137 1.00 0.00 H new ATOM 0 HB3 MET A 62 -17.701 7.799 1.602 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.486 5.043 1.199 1.00 0.00 H new ATOM 0 HG3 MET A 62 -17.322 5.981 -0.022 1.00 0.00 H new ATOM 0 HE1 MET A 62 -13.838 6.246 -1.467 1.00 0.00 H new ATOM 0 HE2 MET A 62 -13.894 4.955 -0.243 1.00 0.00 H new ATOM 0 HE3 MET A 62 -15.295 5.238 -1.303 1.00 0.00 H new ATOM 986 N ARG A 63 -18.568 7.346 4.756 1.00 0.00 N ATOM 987 CA ARG A 63 -19.373 8.138 5.685 1.00 0.00 C ATOM 988 C ARG A 63 -18.543 8.583 6.885 1.00 0.00 C ATOM 989 O ARG A 63 -18.784 9.646 7.457 1.00 0.00 O ATOM 990 CB ARG A 63 -20.596 7.342 6.153 1.00 0.00 C ATOM 991 CG ARG A 63 -20.254 6.141 7.018 1.00 0.00 C ATOM 992 CD ARG A 63 -21.507 5.422 7.490 1.00 0.00 C ATOM 993 NE ARG A 63 -21.195 4.314 8.388 1.00 0.00 N ATOM 994 CZ ARG A 63 -22.106 3.469 8.862 1.00 0.00 C ATOM 995 NH1 ARG A 63 -23.380 3.598 8.516 1.00 0.00 N ATOM 996 NH2 ARG A 63 -21.741 2.491 9.680 1.00 0.00 N ATOM 0 H ARG A 63 -18.947 6.422 4.549 1.00 0.00 H new ATOM 0 HA ARG A 63 -19.716 9.028 5.157 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -21.256 8.005 6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -21.152 7.002 5.279 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.628 5.451 6.453 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -19.672 6.466 7.881 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -22.161 6.129 8.000 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -22.056 5.046 6.627 1.00 0.00 H new ATOM 0 HE ARG A 63 -20.223 4.180 8.668 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -23.664 4.347 7.884 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -24.076 2.948 8.881 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -20.762 2.387 9.946 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -22.440 1.843 10.044 1.00 0.00 H new ATOM 1010 N SER A 64 -17.573 7.756 7.266 1.00 0.00 N ATOM 1011 CA SER A 64 -16.698 8.070 8.390 1.00 0.00 C ATOM 1012 C SER A 64 -16.028 9.427 8.195 1.00 0.00 C ATOM 1013 O SER A 64 -15.799 10.163 9.156 1.00 0.00 O ATOM 1014 CB SER A 64 -15.633 6.985 8.560 1.00 0.00 C ATOM 1015 OG SER A 64 -14.799 7.260 9.672 1.00 0.00 O ATOM 0 H SER A 64 -17.374 6.864 6.813 1.00 0.00 H new ATOM 0 HA SER A 64 -17.311 8.110 9.291 1.00 0.00 H new ATOM 0 HB2 SER A 64 -16.114 6.016 8.693 1.00 0.00 H new ATOM 0 HB3 SER A 64 -15.029 6.919 7.655 1.00 0.00 H new ATOM 0 HG SER A 64 -14.128 6.552 9.761 1.00 0.00 H new ATOM 1021 N LEU A 65 -15.716 9.752 6.943 1.00 0.00 N ATOM 1022 CA LEU A 65 -15.072 11.020 6.616 1.00 0.00 C ATOM 1023 C LEU A 65 -16.087 12.159 6.608 1.00 0.00 C ATOM 1024 O LEU A 65 -15.723 13.330 6.709 1.00 0.00 O ATOM 1025 CB LEU A 65 -14.385 10.929 5.250 1.00 0.00 C ATOM 1026 CG LEU A 65 -13.594 9.641 5.003 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -13.006 9.638 3.600 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -12.492 9.477 6.041 1.00 0.00 C ATOM 0 H LEU A 65 -15.899 9.153 6.138 1.00 0.00 H new ATOM 0 HA LEU A 65 -14.324 11.227 7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -15.143 11.026 4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.709 11.778 5.144 1.00 0.00 H new ATOM 0 HG LEU A 65 -14.279 8.798 5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -12.447 8.716 3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.811 9.705 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -12.338 10.491 3.484 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.943 8.556 5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.810 10.325 5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.934 9.433 7.037 1.00 0.00 H new ATOM 1040 N GLY A 66 -17.364 11.804 6.489 1.00 0.00 N ATOM 1041 CA GLY A 66 -18.416 12.804 6.471 1.00 0.00 C ATOM 1042 C GLY A 66 -19.193 12.808 5.167 1.00 0.00 C ATOM 1043 O GLY A 66 -19.949 13.742 4.891 1.00 0.00 O ATOM 0 H GLY A 66 -17.688 10.841 6.405 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -19.102 12.620 7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.979 13.789 6.633 1.00 0.00 H new ATOM 1047 N TYR A 67 -19.006 11.765 4.364 1.00 0.00 N ATOM 1048 CA TYR A 67 -19.698 11.646 3.083 1.00 0.00 C ATOM 1049 C TYR A 67 -20.593 10.410 3.068 1.00 0.00 C ATOM 1050 O TYR A 67 -20.110 9.288 2.923 1.00 0.00 O ATOM 1051 CB TYR A 67 -18.687 11.570 1.937 1.00 0.00 C ATOM 1052 CG TYR A 67 -17.733 12.742 1.892 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -18.058 13.901 1.198 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -16.507 12.688 2.544 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -17.188 14.973 1.156 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -15.632 13.757 2.506 1.00 0.00 C ATOM 1057 CZ TYR A 67 -15.977 14.897 1.811 1.00 0.00 C ATOM 1058 OH TYR A 67 -15.110 15.963 1.772 1.00 0.00 O ATOM 0 H TYR A 67 -18.380 10.988 4.577 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.321 12.530 2.949 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.113 10.648 2.031 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -19.226 11.515 0.991 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -19.005 13.965 0.683 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -16.234 11.797 3.089 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -17.455 15.867 0.612 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.683 13.700 3.018 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.303 15.747 2.285 1.00 0.00 H new ATOM 1068 N MET A 68 -21.897 10.624 3.216 1.00 0.00 N ATOM 1069 CA MET A 68 -22.859 9.525 3.227 1.00 0.00 C ATOM 1070 C MET A 68 -23.318 9.181 1.807 1.00 0.00 C ATOM 1071 O MET A 68 -24.058 9.948 1.190 1.00 0.00 O ATOM 1072 CB MET A 68 -24.070 9.894 4.086 1.00 0.00 C ATOM 1073 CG MET A 68 -23.705 10.384 5.477 1.00 0.00 C ATOM 1074 SD MET A 68 -25.152 10.683 6.510 1.00 0.00 S ATOM 1075 CE MET A 68 -24.380 11.302 8.003 1.00 0.00 C ATOM 0 H MET A 68 -22.313 11.548 3.330 1.00 0.00 H new ATOM 0 HA MET A 68 -22.367 8.650 3.652 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.643 10.668 3.576 1.00 0.00 H new ATOM 0 HB3 MET A 68 -24.720 9.023 4.176 1.00 0.00 H new ATOM 0 HG2 MET A 68 -23.064 9.647 5.961 1.00 0.00 H new ATOM 0 HG3 MET A 68 -23.127 11.304 5.394 1.00 0.00 H new ATOM 0 HE1 MET A 68 -25.148 11.533 8.741 1.00 0.00 H new ATOM 0 HE2 MET A 68 -23.706 10.545 8.405 1.00 0.00 H new ATOM 0 HE3 MET A 68 -23.815 12.205 7.773 1.00 0.00 H new ATOM 1085 N PRO A 69 -22.890 8.020 1.268 1.00 0.00 N ATOM 1086 CA PRO A 69 -23.266 7.588 -0.073 1.00 0.00 C ATOM 1087 C PRO A 69 -24.548 6.763 -0.077 1.00 0.00 C ATOM 1088 O PRO A 69 -24.804 5.994 0.850 1.00 0.00 O ATOM 1089 CB PRO A 69 -22.078 6.726 -0.478 1.00 0.00 C ATOM 1090 CG PRO A 69 -21.625 6.090 0.795 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.999 7.036 1.914 1.00 0.00 C ATOM 0 HA PRO A 69 -23.469 8.423 -0.743 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -22.365 5.977 -1.216 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -21.286 7.327 -0.925 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -22.102 5.120 0.933 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -20.549 5.917 0.779 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -22.504 6.513 2.726 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -21.119 7.515 2.342 1.00 0.00 H new ATOM 1099 N ASN A 70 -25.351 6.924 -1.124 1.00 0.00 N ATOM 1100 CA ASN A 70 -26.601 6.183 -1.243 1.00 0.00 C ATOM 1101 C ASN A 70 -26.339 4.783 -1.783 1.00 0.00 C ATOM 1102 O ASN A 70 -25.222 4.468 -2.190 1.00 0.00 O ATOM 1103 CB ASN A 70 -27.581 6.917 -2.163 1.00 0.00 C ATOM 1104 CG ASN A 70 -27.820 8.350 -1.734 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -28.684 8.625 -0.901 1.00 0.00 O ATOM 1106 ND2 ASN A 70 -27.059 9.272 -2.309 1.00 0.00 N ATOM 0 H ASN A 70 -25.159 7.558 -1.899 1.00 0.00 H new ATOM 0 HA ASN A 70 -27.044 6.105 -0.250 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -27.194 6.906 -3.182 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -28.531 6.382 -2.177 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -27.178 10.255 -2.066 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -26.355 8.997 -2.994 1.00 0.00 H new ATOM 1113 N GLU A 71 -27.370 3.945 -1.785 1.00 0.00 N ATOM 1114 CA GLU A 71 -27.238 2.582 -2.285 1.00 0.00 C ATOM 1115 C GLU A 71 -26.842 2.590 -3.758 1.00 0.00 C ATOM 1116 O GLU A 71 -26.346 1.596 -4.284 1.00 0.00 O ATOM 1117 CB GLU A 71 -28.546 1.810 -2.098 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.726 2.422 -2.835 1.00 0.00 C ATOM 1119 CD GLU A 71 -30.961 1.543 -2.787 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -31.754 1.683 -1.832 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -31.136 0.714 -3.705 1.00 0.00 O ATOM 0 H GLU A 71 -28.302 4.184 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.455 2.084 -1.713 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -28.405 0.785 -2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -28.779 1.760 -1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -29.958 3.393 -2.399 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -29.449 2.598 -3.875 1.00 0.00 H new ATOM 1128 N VAL A 72 -27.078 3.717 -4.419 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.742 3.864 -5.830 1.00 0.00 C ATOM 1130 C VAL A 72 -25.335 4.430 -6.007 1.00 0.00 C ATOM 1131 O VAL A 72 -24.730 4.296 -7.071 1.00 0.00 O ATOM 1132 CB VAL A 72 -27.737 4.790 -6.563 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -28.196 4.156 -7.867 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -28.929 5.123 -5.674 1.00 0.00 C ATOM 0 H VAL A 72 -27.502 4.544 -3.999 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.796 2.865 -6.263 1.00 0.00 H new ATOM 0 HB VAL A 72 -27.223 5.722 -6.797 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -28.897 4.823 -8.369 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -27.334 3.984 -8.511 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -28.687 3.206 -7.657 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -29.614 5.776 -6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -29.445 4.204 -5.398 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -28.581 5.628 -4.773 1.00 0.00 H new ATOM 1144 N GLU A 73 -24.820 5.061 -4.954 1.00 0.00 N ATOM 1145 CA GLU A 73 -23.495 5.674 -4.997 1.00 0.00 C ATOM 1146 C GLU A 73 -22.387 4.685 -4.640 1.00 0.00 C ATOM 1147 O GLU A 73 -21.444 4.501 -5.407 1.00 0.00 O ATOM 1148 CB GLU A 73 -23.439 6.874 -4.051 1.00 0.00 C ATOM 1149 CG GLU A 73 -24.490 7.932 -4.343 1.00 0.00 C ATOM 1150 CD GLU A 73 -24.411 8.456 -5.764 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -23.635 9.405 -6.005 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -25.125 7.918 -6.636 1.00 0.00 O ATOM 0 H GLU A 73 -25.301 5.161 -4.060 1.00 0.00 H new ATOM 0 HA GLU A 73 -23.326 6.002 -6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -23.564 6.524 -3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -22.451 7.329 -4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -25.481 7.512 -4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -24.368 8.762 -3.646 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.497 4.052 -3.476 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.477 3.103 -3.030 1.00 0.00 C ATOM 1161 C LEU A 74 -21.265 1.989 -4.056 1.00 0.00 C ATOM 1162 O LEU A 74 -20.279 1.255 -3.990 1.00 0.00 O ATOM 1163 CB LEU A 74 -21.846 2.518 -1.660 1.00 0.00 C ATOM 1164 CG LEU A 74 -22.758 1.287 -1.676 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.052 0.828 -0.257 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -24.051 1.580 -2.413 1.00 0.00 C ATOM 0 H LEU A 74 -23.275 4.176 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.537 3.645 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -20.925 2.256 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -22.332 3.298 -1.074 1.00 0.00 H new ATOM 0 HG LEU A 74 -22.239 0.487 -2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -23.701 -0.047 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -22.118 0.572 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.548 1.630 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.681 0.690 -2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -24.575 2.397 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.827 1.863 -3.442 1.00 0.00 H new ATOM 1178 N GLU A 75 -22.193 1.867 -5.003 1.00 0.00 N ATOM 1179 CA GLU A 75 -22.095 0.848 -6.043 1.00 0.00 C ATOM 1180 C GLU A 75 -21.231 1.327 -7.209 1.00 0.00 C ATOM 1181 O GLU A 75 -20.529 0.533 -7.836 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.487 0.463 -6.554 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.324 -0.293 -5.537 1.00 0.00 C ATOM 1184 CD GLU A 75 -25.605 -0.843 -6.133 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -26.565 -0.063 -6.303 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -25.648 -2.056 -6.432 1.00 0.00 O ATOM 0 H GLU A 75 -23.020 2.461 -5.071 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.622 -0.029 -5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -24.019 1.368 -6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.379 -0.149 -7.449 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -23.736 -1.114 -5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -24.569 0.370 -4.707 1.00 0.00 H new ATOM 1193 N VAL A 76 -21.287 2.625 -7.498 1.00 0.00 N ATOM 1194 CA VAL A 76 -20.507 3.194 -8.594 1.00 0.00 C ATOM 1195 C VAL A 76 -19.084 3.524 -8.157 1.00 0.00 C ATOM 1196 O VAL A 76 -18.186 3.657 -8.986 1.00 0.00 O ATOM 1197 CB VAL A 76 -21.168 4.461 -9.174 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -22.569 4.150 -9.675 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -21.201 5.576 -8.140 1.00 0.00 C ATOM 0 H VAL A 76 -21.861 3.299 -6.992 1.00 0.00 H new ATOM 0 HA VAL A 76 -20.472 2.431 -9.372 1.00 0.00 H new ATOM 0 HB VAL A 76 -20.569 4.802 -10.019 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -23.020 5.056 -10.081 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -22.516 3.390 -10.455 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -23.177 3.781 -8.849 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -21.672 6.459 -8.572 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -21.772 5.249 -7.271 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.183 5.820 -7.835 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.888 3.664 -6.852 1.00 0.00 N ATOM 1210 CA ILE A 77 -17.572 3.973 -6.306 1.00 0.00 C ATOM 1211 C ILE A 77 -16.713 2.714 -6.209 1.00 0.00 C ATOM 1212 O ILE A 77 -15.484 2.781 -6.249 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.691 4.624 -4.914 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -18.506 5.914 -5.009 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -16.313 4.901 -4.331 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -19.438 6.124 -3.839 1.00 0.00 C ATOM 0 H ILE A 77 -19.623 3.569 -6.152 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.093 4.678 -6.986 1.00 0.00 H new ATOM 0 HB ILE A 77 -18.206 3.933 -4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.824 6.761 -5.077 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -19.089 5.899 -5.930 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.419 5.361 -3.348 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.763 3.965 -4.236 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.768 5.577 -4.990 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.984 7.058 -3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -20.144 5.295 -3.783 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.859 6.171 -2.917 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.373 1.565 -6.094 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.679 0.287 -5.984 1.00 0.00 C ATOM 1230 C ILE A 78 -16.101 -0.163 -7.326 1.00 0.00 C ATOM 1231 O ILE A 78 -15.074 -0.839 -7.365 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.619 -0.811 -5.431 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.849 -0.607 -3.929 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -17.057 -2.203 -5.704 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.619 -0.855 -3.082 1.00 0.00 C ATOM 0 H ILE A 78 -18.390 1.494 -6.075 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.854 0.436 -5.287 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.577 -0.730 -5.945 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -18.196 0.412 -3.759 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.646 -1.274 -3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -17.738 -2.955 -5.305 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -16.948 -2.347 -6.779 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -16.084 -2.303 -5.224 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.861 -0.691 -2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -16.283 -1.883 -3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.826 -0.170 -3.383 1.00 0.00 H new ATOM 1247 N GLN A 79 -16.746 0.224 -8.423 1.00 0.00 N ATOM 1248 CA GLN A 79 -16.283 -0.168 -9.752 1.00 0.00 C ATOM 1249 C GLN A 79 -15.100 0.683 -10.203 1.00 0.00 C ATOM 1250 O GLN A 79 -14.472 0.393 -11.222 1.00 0.00 O ATOM 1251 CB GLN A 79 -17.419 -0.055 -10.772 1.00 0.00 C ATOM 1252 CG GLN A 79 -17.941 1.361 -10.946 1.00 0.00 C ATOM 1253 CD GLN A 79 -18.960 1.477 -12.064 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -19.699 0.535 -12.346 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -19.002 2.639 -12.707 1.00 0.00 N ATOM 0 H GLN A 79 -17.585 0.804 -8.420 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.956 -1.206 -9.692 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.069 -0.425 -11.736 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.240 -0.701 -10.462 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.393 1.694 -10.012 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -17.105 2.029 -11.152 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.370 3.393 -12.439 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.666 2.777 -13.468 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.800 1.734 -9.448 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.693 2.622 -9.787 1.00 0.00 C ATOM 1266 C ARG A 80 -12.360 2.013 -9.367 1.00 0.00 C ATOM 1267 O ARG A 80 -11.342 2.204 -10.032 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.883 3.987 -9.121 1.00 0.00 C ATOM 1269 CG ARG A 80 -15.178 4.683 -9.514 1.00 0.00 C ATOM 1270 CD ARG A 80 -15.197 5.039 -10.993 1.00 0.00 C ATOM 1271 NE ARG A 80 -16.445 5.690 -11.386 1.00 0.00 N ATOM 1272 CZ ARG A 80 -16.778 5.949 -12.647 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -15.961 5.609 -13.635 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -17.929 6.549 -12.922 1.00 0.00 N ATOM 0 H ARG A 80 -15.305 1.992 -8.600 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.683 2.755 -10.869 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.863 3.859 -8.039 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.042 4.629 -9.382 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -16.024 4.035 -9.284 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.300 5.589 -8.920 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.358 5.698 -11.217 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.059 4.134 -11.585 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.098 5.961 -10.651 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -15.075 5.148 -13.428 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -16.219 5.809 -14.601 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -18.560 6.813 -12.165 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -18.183 6.747 -13.890 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.372 1.278 -8.258 1.00 0.00 N ATOM 1289 CA LEU A 81 -11.164 0.638 -7.751 1.00 0.00 C ATOM 1290 C LEU A 81 -11.134 -0.842 -8.125 1.00 0.00 C ATOM 1291 O LEU A 81 -10.075 -1.398 -8.414 1.00 0.00 O ATOM 1292 CB LEU A 81 -11.068 0.794 -6.230 1.00 0.00 C ATOM 1293 CG LEU A 81 -10.778 2.213 -5.733 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -11.994 3.110 -5.918 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -10.350 2.189 -4.274 1.00 0.00 C ATOM 0 H LEU A 81 -13.205 1.112 -7.694 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.307 1.130 -8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.005 0.456 -5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.285 0.131 -5.862 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.960 2.622 -6.327 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.764 4.113 -5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.255 3.155 -6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.834 2.705 -5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.148 3.206 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.147 1.758 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.448 1.586 -4.169 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.304 -1.476 -8.113 1.00 0.00 N ATOM 1308 CA ASP A 82 -12.413 -2.890 -8.452 1.00 0.00 C ATOM 1309 C ASP A 82 -12.240 -3.096 -9.955 1.00 0.00 C ATOM 1310 O ASP A 82 -13.213 -3.109 -10.710 1.00 0.00 O ATOM 1311 CB ASP A 82 -13.765 -3.443 -7.996 1.00 0.00 C ATOM 1312 CG ASP A 82 -13.794 -4.959 -7.962 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -12.899 -5.586 -8.565 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -14.714 -5.520 -7.331 1.00 0.00 O ATOM 0 H ASP A 82 -13.190 -1.031 -7.872 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.620 -3.430 -7.934 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -13.995 -3.057 -7.003 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.545 -3.083 -8.667 1.00 0.00 H new ATOM 1319 N MET A 83 -10.988 -3.253 -10.376 1.00 0.00 N ATOM 1320 CA MET A 83 -10.661 -3.449 -11.784 1.00 0.00 C ATOM 1321 C MET A 83 -11.431 -4.624 -12.382 1.00 0.00 C ATOM 1322 O MET A 83 -12.135 -4.470 -13.380 1.00 0.00 O ATOM 1323 CB MET A 83 -9.157 -3.674 -11.947 1.00 0.00 C ATOM 1324 CG MET A 83 -8.311 -2.546 -11.379 1.00 0.00 C ATOM 1325 SD MET A 83 -8.694 -0.950 -12.127 1.00 0.00 S ATOM 1326 CE MET A 83 -7.630 0.135 -11.180 1.00 0.00 C ATOM 0 H MET A 83 -10.178 -3.248 -9.756 1.00 0.00 H new ATOM 0 HA MET A 83 -10.955 -2.548 -12.322 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.882 -4.607 -11.456 1.00 0.00 H new ATOM 0 HB3 MET A 83 -8.928 -3.792 -13.006 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.468 -2.486 -10.302 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.256 -2.773 -11.535 1.00 0.00 H new ATOM 0 HE1 MET A 83 -7.755 1.161 -11.527 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.895 0.074 -10.125 1.00 0.00 H new ATOM 0 HE3 MET A 83 -6.591 -0.169 -11.311 1.00 0.00 H new ATOM 1336 N ASP A 84 -11.292 -5.796 -11.771 1.00 0.00 N ATOM 1337 CA ASP A 84 -11.975 -6.991 -12.257 1.00 0.00 C ATOM 1338 C ASP A 84 -13.484 -6.884 -12.046 1.00 0.00 C ATOM 1339 O ASP A 84 -14.265 -7.565 -12.710 1.00 0.00 O ATOM 1340 CB ASP A 84 -11.427 -8.240 -11.564 1.00 0.00 C ATOM 1341 CG ASP A 84 -11.602 -8.195 -10.060 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -11.014 -7.300 -9.420 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -12.323 -9.059 -9.523 1.00 0.00 O ATOM 0 H ASP A 84 -10.716 -5.944 -10.943 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.788 -7.075 -13.327 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.932 -9.121 -11.959 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.368 -8.347 -11.800 1.00 0.00 H new ATOM 1348 N GLY A 85 -13.882 -6.019 -11.115 1.00 0.00 N ATOM 1349 CA GLY A 85 -15.293 -5.814 -10.836 1.00 0.00 C ATOM 1350 C GLY A 85 -15.954 -7.004 -10.163 1.00 0.00 C ATOM 1351 O GLY A 85 -17.026 -7.440 -10.584 1.00 0.00 O ATOM 0 H GLY A 85 -13.249 -5.455 -10.548 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.406 -4.937 -10.199 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.813 -5.599 -11.770 1.00 0.00 H new ATOM 1355 N ASP A 86 -15.323 -7.526 -9.116 1.00 0.00 N ATOM 1356 CA ASP A 86 -15.874 -8.665 -8.386 1.00 0.00 C ATOM 1357 C ASP A 86 -16.821 -8.196 -7.286 1.00 0.00 C ATOM 1358 O ASP A 86 -17.199 -8.972 -6.408 1.00 0.00 O ATOM 1359 CB ASP A 86 -14.754 -9.510 -7.778 1.00 0.00 C ATOM 1360 CG ASP A 86 -13.952 -8.747 -6.739 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -12.971 -8.075 -7.122 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -14.305 -8.824 -5.544 1.00 0.00 O ATOM 0 H ASP A 86 -14.434 -7.181 -8.754 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.433 -9.277 -9.094 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.183 -10.401 -7.319 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.087 -9.849 -8.571 1.00 0.00 H new ATOM 1367 N GLY A 87 -17.199 -6.921 -7.340 1.00 0.00 N ATOM 1368 CA GLY A 87 -18.094 -6.370 -6.339 1.00 0.00 C ATOM 1369 C GLY A 87 -17.367 -5.968 -5.071 1.00 0.00 C ATOM 1370 O GLY A 87 -17.916 -5.251 -4.234 1.00 0.00 O ATOM 0 H GLY A 87 -16.901 -6.261 -8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.605 -5.501 -6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.861 -7.106 -6.097 1.00 0.00 H new ATOM 1374 N GLN A 88 -16.129 -6.432 -4.929 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.325 -6.119 -3.754 1.00 0.00 C ATOM 1376 C GLN A 88 -13.920 -5.679 -4.158 1.00 0.00 C ATOM 1377 O GLN A 88 -13.315 -6.251 -5.066 1.00 0.00 O ATOM 1378 CB GLN A 88 -15.248 -7.333 -2.828 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.608 -7.849 -2.387 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.508 -8.994 -1.399 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -16.459 -10.162 -1.787 1.00 0.00 O ATOM 1382 NE2 GLN A 88 -16.477 -8.666 -0.113 1.00 0.00 N ATOM 0 H GLN A 88 -15.661 -7.026 -5.614 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.804 -5.296 -3.223 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.712 -8.134 -3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.665 -7.070 -1.945 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -17.172 -7.033 -1.935 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -17.168 -8.178 -3.262 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.520 -7.685 0.164 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.410 -9.395 0.598 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.406 -4.660 -3.475 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.073 -4.141 -3.762 1.00 0.00 C ATOM 1393 C VAL A 89 -10.994 -4.997 -3.105 1.00 0.00 C ATOM 1394 O VAL A 89 -11.062 -5.293 -1.911 1.00 0.00 O ATOM 1395 CB VAL A 89 -11.923 -2.682 -3.285 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.533 -2.154 -3.602 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -12.991 -1.803 -3.914 1.00 0.00 C ATOM 0 H VAL A 89 -13.892 -4.178 -2.719 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.947 -4.175 -4.844 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.056 -2.659 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.448 -1.123 -3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.787 -2.768 -3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.366 -2.192 -4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.869 -0.777 -3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -12.893 -1.832 -4.999 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.977 -2.168 -3.629 1.00 0.00 H new ATOM 1407 N ASP A 90 -10.002 -5.395 -3.898 1.00 0.00 N ATOM 1408 CA ASP A 90 -8.905 -6.216 -3.400 1.00 0.00 C ATOM 1409 C ASP A 90 -7.743 -5.352 -2.916 1.00 0.00 C ATOM 1410 O ASP A 90 -7.529 -4.249 -3.419 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.422 -7.175 -4.491 1.00 0.00 C ATOM 1412 CG ASP A 90 -7.276 -8.052 -4.026 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -7.547 -9.126 -3.450 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -6.108 -7.663 -4.238 1.00 0.00 O ATOM 0 H ASP A 90 -9.937 -5.161 -4.889 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.277 -6.793 -2.553 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.252 -7.806 -4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.106 -6.600 -5.362 1.00 0.00 H new ATOM 1419 N PHE A 91 -7.004 -5.860 -1.936 1.00 0.00 N ATOM 1420 CA PHE A 91 -5.864 -5.141 -1.372 1.00 0.00 C ATOM 1421 C PHE A 91 -4.909 -4.649 -2.458 1.00 0.00 C ATOM 1422 O PHE A 91 -4.627 -3.454 -2.546 1.00 0.00 O ATOM 1423 CB PHE A 91 -5.113 -6.041 -0.388 1.00 0.00 C ATOM 1424 CG PHE A 91 -3.862 -5.417 0.164 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -3.930 -4.297 0.977 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.618 -5.950 -0.132 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -2.782 -3.721 1.484 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.465 -5.378 0.372 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.547 -4.262 1.182 1.00 0.00 C ATOM 0 H PHE A 91 -7.174 -6.772 -1.513 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.251 -4.267 -0.848 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.777 -6.296 0.438 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.853 -6.974 -0.888 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.892 -3.869 1.217 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.548 -6.823 -0.764 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.849 -2.848 2.116 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.501 -5.803 0.133 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.648 -3.813 1.578 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.419 -5.576 -3.278 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.480 -5.248 -4.351 1.00 0.00 C ATOM 1441 C GLU A 92 -3.922 -4.019 -5.142 1.00 0.00 C ATOM 1442 O GLU A 92 -3.173 -3.051 -5.268 1.00 0.00 O ATOM 1443 CB GLU A 92 -3.323 -6.442 -5.296 1.00 0.00 C ATOM 1444 CG GLU A 92 -2.733 -7.673 -4.628 1.00 0.00 C ATOM 1445 CD GLU A 92 -2.607 -8.848 -5.577 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -1.576 -8.940 -6.275 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -3.541 -9.676 -5.624 1.00 0.00 O ATOM 0 H GLU A 92 -4.658 -6.566 -3.220 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.521 -5.017 -3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.298 -6.697 -5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.686 -6.152 -6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.750 -7.428 -4.227 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.360 -7.959 -3.783 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.131 -4.067 -5.683 1.00 0.00 N ATOM 1455 CA GLU A 93 -5.665 -2.956 -6.466 1.00 0.00 C ATOM 1456 C GLU A 93 -5.486 -1.618 -5.744 1.00 0.00 C ATOM 1457 O GLU A 93 -5.240 -0.591 -6.378 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.147 -3.187 -6.763 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.430 -4.504 -7.467 1.00 0.00 C ATOM 1460 CD GLU A 93 -8.912 -4.738 -7.691 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.708 -4.408 -6.788 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -9.277 -5.250 -8.770 1.00 0.00 O ATOM 0 H GLU A 93 -5.763 -4.863 -5.595 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.106 -2.913 -7.401 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.705 -3.158 -5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.517 -2.368 -7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.915 -4.517 -8.427 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.022 -5.323 -6.875 1.00 0.00 H new ATOM 1469 N PHE A 94 -5.601 -1.639 -4.420 1.00 0.00 N ATOM 1470 CA PHE A 94 -5.467 -0.422 -3.624 1.00 0.00 C ATOM 1471 C PHE A 94 -4.021 -0.180 -3.185 1.00 0.00 C ATOM 1472 O PHE A 94 -3.650 0.946 -2.853 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.383 -0.491 -2.398 1.00 0.00 C ATOM 1474 CG PHE A 94 -6.374 0.759 -1.561 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -6.774 1.972 -2.098 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -5.966 0.717 -0.238 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -6.769 3.121 -1.329 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -5.960 1.863 0.536 1.00 0.00 C ATOM 1479 CZ PHE A 94 -6.360 3.067 -0.012 1.00 0.00 C ATOM 0 H PHE A 94 -5.786 -2.482 -3.876 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.764 0.416 -4.255 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.403 -0.688 -2.729 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.081 -1.335 -1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.093 2.021 -3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.649 -0.221 0.194 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.085 4.060 -1.759 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.643 1.817 1.567 1.00 0.00 H new ATOM 0 HZ PHE A 94 -6.353 3.964 0.589 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.203 -1.231 -3.190 1.00 0.00 N ATOM 1490 CA VAL A 95 -1.809 -1.100 -2.775 1.00 0.00 C ATOM 1491 C VAL A 95 -0.970 -0.426 -3.859 1.00 0.00 C ATOM 1492 O VAL A 95 0.030 0.227 -3.562 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.185 -2.468 -2.409 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -0.598 -3.160 -3.631 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -0.125 -2.295 -1.333 1.00 0.00 C ATOM 0 H VAL A 95 -3.477 -2.172 -3.473 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.807 -0.473 -1.883 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.981 -3.104 -2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.169 -4.117 -3.336 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.384 -3.326 -4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.180 -2.532 -4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.305 -3.266 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.660 -1.633 -1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.579 -1.862 -0.442 1.00 0.00 H new ATOM 1505 N THR A 96 -1.380 -0.589 -5.114 1.00 0.00 N ATOM 1506 CA THR A 96 -0.666 0.013 -6.234 1.00 0.00 C ATOM 1507 C THR A 96 -1.089 1.464 -6.435 1.00 0.00 C ATOM 1508 O THR A 96 -0.252 2.341 -6.645 1.00 0.00 O ATOM 1509 CB THR A 96 -0.910 -0.768 -7.539 1.00 0.00 C ATOM 1510 OG1 THR A 96 -0.574 -2.148 -7.353 1.00 0.00 O ATOM 1511 CG2 THR A 96 -0.085 -0.191 -8.681 1.00 0.00 C ATOM 0 H THR A 96 -2.202 -1.132 -5.380 1.00 0.00 H new ATOM 0 HA THR A 96 0.396 -0.023 -5.992 1.00 0.00 H new ATOM 0 HB THR A 96 -1.966 -0.681 -7.795 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.733 -2.639 -8.186 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.275 -0.760 -9.591 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.362 0.851 -8.840 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.974 -0.250 -8.431 1.00 0.00 H new ATOM 1519 N LEU A 97 -2.395 1.708 -6.372 1.00 0.00 N ATOM 1520 CA LEU A 97 -2.931 3.053 -6.546 1.00 0.00 C ATOM 1521 C LEU A 97 -2.461 3.977 -5.426 1.00 0.00 C ATOM 1522 O LEU A 97 -2.561 5.200 -5.534 1.00 0.00 O ATOM 1523 CB LEU A 97 -4.461 3.015 -6.582 1.00 0.00 C ATOM 1524 CG LEU A 97 -5.067 2.243 -7.757 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -6.576 2.132 -7.600 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -4.718 2.915 -9.077 1.00 0.00 C ATOM 0 H LEU A 97 -3.101 0.992 -6.202 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.561 3.443 -7.494 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.819 2.571 -5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.833 4.039 -6.610 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.645 1.238 -7.761 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.990 1.580 -8.444 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.808 1.606 -6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -7.013 3.130 -7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.158 2.351 -9.900 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.111 3.932 -9.083 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.635 2.944 -9.195 1.00 0.00 H new ATOM 1538 N LEU A 98 -1.948 3.386 -4.351 1.00 0.00 N ATOM 1539 CA LEU A 98 -1.461 4.158 -3.213 1.00 0.00 C ATOM 1540 C LEU A 98 0.055 4.041 -3.085 1.00 0.00 C ATOM 1541 O LEU A 98 0.714 4.935 -2.552 1.00 0.00 O ATOM 1542 CB LEU A 98 -2.141 3.679 -1.927 1.00 0.00 C ATOM 1543 CG LEU A 98 -1.857 4.522 -0.681 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -3.064 4.526 0.243 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -0.633 3.997 0.055 1.00 0.00 C ATOM 0 H LEU A 98 -1.859 2.376 -4.244 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.707 5.207 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.218 3.657 -2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.828 2.654 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.656 5.545 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.846 5.130 1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.922 4.946 -0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.291 3.505 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.448 4.610 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.807 2.965 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.234 4.040 -0.604 1.00 0.00 H new