USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=10 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+ -146:sc= 0.72 (180deg=-0.209) USER MOD Single : A 50 ASN : amide:sc= -0.126 K(o=-0.13,f=-5.4!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.134 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.61 K(o=-1.6,f=-7.5!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 142:sc= -0.0443 (180deg=-2.2!) USER MOD Single : A 64 SER OG : rot 170:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -158:sc= -0.125 (180deg=-0.674) USER MOD Single : A 70 ASN : amide:sc= -0.0682 X(o=-0.068,f=0) USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-2!,f=0) USER MOD Single : A 83 MET CE :methyl 157:sc= -0.183 (180deg=-0.814) USER MOD Single : A 88 GLN : amide:sc= -1.19 K(o=-1.2,f=-6.2!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 544 N LEU A 35 2.983 0.222 5.288 1.00 0.00 N ATOM 545 CA LEU A 35 1.928 -0.609 4.720 1.00 0.00 C ATOM 546 C LEU A 35 0.840 -0.881 5.755 1.00 0.00 C ATOM 547 O LEU A 35 -0.328 -1.058 5.410 1.00 0.00 O ATOM 548 CB LEU A 35 2.505 -1.932 4.213 1.00 0.00 C ATOM 549 CG LEU A 35 1.555 -2.759 3.344 1.00 0.00 C ATOM 550 CD1 LEU A 35 1.447 -2.158 1.951 1.00 0.00 C ATOM 551 CD2 LEU A 35 2.019 -4.203 3.271 1.00 0.00 C ATOM 0 HA LEU A 35 1.486 -0.070 3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.408 -1.722 3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.805 -2.533 5.071 1.00 0.00 H new ATOM 0 HG LEU A 35 0.566 -2.741 3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.767 -2.759 1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.065 -1.140 2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.432 -2.144 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.331 -4.775 2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.018 -4.243 2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.041 -4.629 4.274 1.00 0.00 H new ATOM 563 N GLU A 36 1.236 -0.914 7.025 1.00 0.00 N ATOM 564 CA GLU A 36 0.299 -1.163 8.115 1.00 0.00 C ATOM 565 C GLU A 36 -0.805 -0.111 8.129 1.00 0.00 C ATOM 566 O GLU A 36 -1.952 -0.404 8.469 1.00 0.00 O ATOM 567 CB GLU A 36 1.037 -1.167 9.455 1.00 0.00 C ATOM 568 CG GLU A 36 0.127 -1.389 10.653 1.00 0.00 C ATOM 569 CD GLU A 36 0.887 -1.416 11.964 1.00 0.00 C ATOM 570 OE1 GLU A 36 1.148 -0.330 12.522 1.00 0.00 O ATOM 571 OE2 GLU A 36 1.223 -2.524 12.433 1.00 0.00 O ATOM 0 H GLU A 36 2.201 -0.771 7.324 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.158 -2.140 7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.798 -1.947 9.438 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.557 -0.217 9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.622 -0.598 10.687 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.409 -2.330 10.528 1.00 0.00 H new ATOM 578 N GLU A 37 -0.448 1.114 7.758 1.00 0.00 N ATOM 579 CA GLU A 37 -1.406 2.212 7.722 1.00 0.00 C ATOM 580 C GLU A 37 -2.459 1.966 6.647 1.00 0.00 C ATOM 581 O GLU A 37 -3.629 2.313 6.818 1.00 0.00 O ATOM 582 CB GLU A 37 -0.678 3.536 7.461 1.00 0.00 C ATOM 583 CG GLU A 37 -1.538 4.771 7.681 1.00 0.00 C ATOM 584 CD GLU A 37 -2.507 5.026 6.544 1.00 0.00 C ATOM 585 OE1 GLU A 37 -2.043 5.298 5.417 1.00 0.00 O ATOM 586 OE2 GLU A 37 -3.732 4.957 6.781 1.00 0.00 O ATOM 0 H GLU A 37 0.498 1.371 7.478 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.907 2.270 8.688 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.194 3.593 8.112 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.311 3.540 6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.097 4.657 8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.892 5.640 7.803 1.00 0.00 H new ATOM 593 N ILE A 38 -2.038 1.358 5.543 1.00 0.00 N ATOM 594 CA ILE A 38 -2.942 1.062 4.439 1.00 0.00 C ATOM 595 C ILE A 38 -3.950 -0.013 4.832 1.00 0.00 C ATOM 596 O ILE A 38 -5.145 0.109 4.557 1.00 0.00 O ATOM 597 CB ILE A 38 -2.170 0.590 3.189 1.00 0.00 C ATOM 598 CG1 ILE A 38 -1.030 1.564 2.875 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.117 0.459 2.002 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.254 1.221 1.620 1.00 0.00 C ATOM 0 H ILE A 38 -1.075 1.060 5.389 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.469 1.987 4.204 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.737 -0.391 3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.442 2.568 2.772 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.342 1.587 3.720 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.559 0.125 1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.895 -0.268 2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.575 1.426 1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.535 1.957 1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.189 0.231 1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.927 1.227 0.763 1.00 0.00 H new ATOM 612 N ARG A 39 -3.457 -1.062 5.482 1.00 0.00 N ATOM 613 CA ARG A 39 -4.304 -2.168 5.911 1.00 0.00 C ATOM 614 C ARG A 39 -5.246 -1.744 7.029 1.00 0.00 C ATOM 615 O ARG A 39 -6.449 -1.646 6.821 1.00 0.00 O ATOM 616 CB ARG A 39 -3.442 -3.344 6.368 1.00 0.00 C ATOM 617 CG ARG A 39 -2.630 -3.959 5.244 1.00 0.00 C ATOM 618 CD ARG A 39 -1.293 -4.487 5.738 1.00 0.00 C ATOM 619 NE ARG A 39 -1.432 -5.765 6.432 1.00 0.00 N ATOM 620 CZ ARG A 39 -0.491 -6.704 6.441 1.00 0.00 C ATOM 621 NH1 ARG A 39 0.651 -6.510 5.794 1.00 0.00 N ATOM 622 NH2 ARG A 39 -0.691 -7.840 7.095 1.00 0.00 N ATOM 0 H ARG A 39 -2.472 -1.169 5.724 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.910 -2.476 5.059 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.766 -3.007 7.154 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.084 -4.109 6.805 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.196 -4.772 4.789 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.462 -3.213 4.467 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.615 -4.605 4.893 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.841 -3.757 6.409 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.299 -5.947 6.938 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.809 -5.639 5.288 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.371 -7.232 5.803 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.568 -7.995 7.592 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.032 -8.559 7.101 1.00 0.00 H new ATOM 636 N GLU A 40 -4.689 -1.468 8.203 1.00 0.00 N ATOM 637 CA GLU A 40 -5.486 -1.070 9.363 1.00 0.00 C ATOM 638 C GLU A 40 -6.638 -0.141 8.972 1.00 0.00 C ATOM 639 O GLU A 40 -7.701 -0.172 9.585 1.00 0.00 O ATOM 640 CB GLU A 40 -4.595 -0.379 10.399 1.00 0.00 C ATOM 641 CG GLU A 40 -5.339 0.052 11.654 1.00 0.00 C ATOM 642 CD GLU A 40 -4.451 0.803 12.628 1.00 0.00 C ATOM 643 OE1 GLU A 40 -4.365 2.044 12.516 1.00 0.00 O ATOM 644 OE2 GLU A 40 -3.843 0.150 13.502 1.00 0.00 O ATOM 0 H GLU A 40 -3.685 -1.512 8.379 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.917 -1.975 9.791 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.788 -1.055 10.680 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.133 0.496 9.942 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.181 0.685 11.374 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.752 -0.828 12.148 1.00 0.00 H new ATOM 651 N ALA A 41 -6.431 0.664 7.938 1.00 0.00 N ATOM 652 CA ALA A 41 -7.451 1.602 7.483 1.00 0.00 C ATOM 653 C ALA A 41 -8.679 0.897 6.898 1.00 0.00 C ATOM 654 O ALA A 41 -9.687 0.710 7.582 1.00 0.00 O ATOM 655 CB ALA A 41 -6.862 2.564 6.462 1.00 0.00 C ATOM 0 H ALA A 41 -5.566 0.687 7.398 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.787 2.158 8.358 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.633 3.259 6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.043 3.121 6.917 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.487 2.002 5.606 1.00 0.00 H new ATOM 661 N PHE A 42 -8.587 0.494 5.635 1.00 0.00 N ATOM 662 CA PHE A 42 -9.706 -0.151 4.953 1.00 0.00 C ATOM 663 C PHE A 42 -9.930 -1.588 5.416 1.00 0.00 C ATOM 664 O PHE A 42 -11.060 -2.076 5.409 1.00 0.00 O ATOM 665 CB PHE A 42 -9.478 -0.109 3.440 1.00 0.00 C ATOM 666 CG PHE A 42 -9.913 1.183 2.806 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.479 2.401 3.308 1.00 0.00 C ATOM 668 CD2 PHE A 42 -10.759 1.180 1.709 1.00 0.00 C ATOM 669 CE1 PHE A 42 -9.882 3.589 2.729 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.164 2.366 1.125 1.00 0.00 C ATOM 671 CZ PHE A 42 -10.725 3.571 1.635 1.00 0.00 C ATOM 0 H PHE A 42 -7.750 0.602 5.062 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.608 0.404 5.209 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.419 -0.267 3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.019 -0.933 2.976 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.818 2.421 4.162 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -11.106 0.240 1.305 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.538 4.530 3.131 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.824 2.349 0.270 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.040 4.498 1.180 1.00 0.00 H new ATOM 681 N LYS A 43 -8.861 -2.261 5.821 1.00 0.00 N ATOM 682 CA LYS A 43 -8.962 -3.645 6.271 1.00 0.00 C ATOM 683 C LYS A 43 -9.927 -3.787 7.449 1.00 0.00 C ATOM 684 O LYS A 43 -10.681 -4.758 7.516 1.00 0.00 O ATOM 685 CB LYS A 43 -7.583 -4.198 6.647 1.00 0.00 C ATOM 686 CG LYS A 43 -7.389 -5.663 6.281 1.00 0.00 C ATOM 687 CD LYS A 43 -7.565 -5.901 4.784 1.00 0.00 C ATOM 688 CE LYS A 43 -6.625 -5.036 3.957 1.00 0.00 C ATOM 689 NZ LYS A 43 -6.791 -5.277 2.498 1.00 0.00 N ATOM 0 H LYS A 43 -7.918 -1.874 5.848 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.359 -4.227 5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.816 -3.604 6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.434 -4.078 7.720 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.393 -5.985 6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.104 -6.273 6.833 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.383 -6.952 4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.596 -5.689 4.502 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.812 -3.985 4.175 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.594 -5.242 4.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.871 -5.176 2.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.157 -6.238 2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.461 -4.585 2.106 1.00 0.00 H new ATOM 703 N VAL A 44 -9.911 -2.830 8.380 1.00 0.00 N ATOM 704 CA VAL A 44 -10.810 -2.901 9.531 1.00 0.00 C ATOM 705 C VAL A 44 -12.252 -2.619 9.121 1.00 0.00 C ATOM 706 O VAL A 44 -13.183 -3.201 9.680 1.00 0.00 O ATOM 707 CB VAL A 44 -10.407 -1.938 10.667 1.00 0.00 C ATOM 708 CG1 VAL A 44 -9.005 -2.250 11.166 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.518 -0.490 10.218 1.00 0.00 C ATOM 0 H VAL A 44 -9.299 -2.014 8.361 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.728 -3.919 9.911 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.100 -2.083 11.496 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.742 -1.559 11.967 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.972 -3.272 11.543 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.295 -2.143 10.346 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.228 0.168 11.037 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.859 -0.321 9.367 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.547 -0.277 9.928 1.00 0.00 H new ATOM 719 N PHE A 45 -12.442 -1.727 8.146 1.00 0.00 N ATOM 720 CA PHE A 45 -13.790 -1.407 7.679 1.00 0.00 C ATOM 721 C PHE A 45 -14.475 -2.650 7.125 1.00 0.00 C ATOM 722 O PHE A 45 -15.697 -2.687 6.983 1.00 0.00 O ATOM 723 CB PHE A 45 -13.768 -0.299 6.618 1.00 0.00 C ATOM 724 CG PHE A 45 -13.425 1.056 7.174 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.199 1.626 8.174 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.332 1.760 6.697 1.00 0.00 C ATOM 727 CE1 PHE A 45 -13.887 2.870 8.686 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.015 3.005 7.206 1.00 0.00 C ATOM 729 CZ PHE A 45 -12.794 3.561 8.201 1.00 0.00 C ATOM 0 H PHE A 45 -11.693 -1.222 7.672 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.357 -1.043 8.536 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.044 -0.560 5.846 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.744 -0.249 6.136 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -15.055 1.091 8.557 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -11.720 1.331 5.918 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.497 3.302 9.465 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.159 3.542 6.826 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.549 4.535 8.599 1.00 0.00 H new ATOM 739 N ASP A 46 -13.678 -3.668 6.811 1.00 0.00 N ATOM 740 CA ASP A 46 -14.207 -4.919 6.284 1.00 0.00 C ATOM 741 C ASP A 46 -14.829 -5.744 7.406 1.00 0.00 C ATOM 742 O ASP A 46 -14.133 -6.448 8.138 1.00 0.00 O ATOM 743 CB ASP A 46 -13.101 -5.713 5.587 1.00 0.00 C ATOM 744 CG ASP A 46 -13.622 -6.973 4.924 1.00 0.00 C ATOM 745 OD1 ASP A 46 -14.791 -6.973 4.488 1.00 0.00 O ATOM 746 OD2 ASP A 46 -12.858 -7.957 4.836 1.00 0.00 O ATOM 0 H ASP A 46 -12.663 -3.649 6.913 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.981 -4.689 5.552 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.623 -5.083 4.837 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.335 -5.979 6.315 1.00 0.00 H new ATOM 751 N ARG A 47 -16.147 -5.639 7.531 1.00 0.00 N ATOM 752 CA ARG A 47 -16.894 -6.348 8.564 1.00 0.00 C ATOM 753 C ARG A 47 -16.630 -7.850 8.529 1.00 0.00 C ATOM 754 O ARG A 47 -16.512 -8.491 9.574 1.00 0.00 O ATOM 755 CB ARG A 47 -18.389 -6.078 8.393 1.00 0.00 C ATOM 756 CG ARG A 47 -18.732 -4.598 8.341 1.00 0.00 C ATOM 757 CD ARG A 47 -19.252 -4.095 9.679 1.00 0.00 C ATOM 758 NE ARG A 47 -19.626 -2.685 9.626 1.00 0.00 N ATOM 759 CZ ARG A 47 -20.102 -2.007 10.666 1.00 0.00 C ATOM 760 NH1 ARG A 47 -20.264 -2.610 11.838 1.00 0.00 N ATOM 761 NH2 ARG A 47 -20.420 -0.727 10.535 1.00 0.00 N ATOM 0 H ARG A 47 -16.727 -5.062 6.921 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.558 -5.978 9.533 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.735 -6.556 7.476 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.931 -6.540 9.218 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.847 -4.029 8.057 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -19.483 -4.425 7.570 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.116 -4.688 9.978 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -18.487 -4.239 10.442 1.00 0.00 H new ATOM 0 HE ARG A 47 -19.516 -2.191 8.740 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -20.023 -3.596 11.942 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -20.629 -2.087 12.634 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -20.300 -0.261 9.636 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -20.785 -0.208 11.334 1.00 0.00 H new ATOM 775 N ASP A 48 -16.541 -8.412 7.328 1.00 0.00 N ATOM 776 CA ASP A 48 -16.299 -9.843 7.176 1.00 0.00 C ATOM 777 C ASP A 48 -14.829 -10.189 7.394 1.00 0.00 C ATOM 778 O ASP A 48 -14.485 -11.342 7.659 1.00 0.00 O ATOM 779 CB ASP A 48 -16.744 -10.311 5.790 1.00 0.00 C ATOM 780 CG ASP A 48 -18.213 -10.040 5.533 1.00 0.00 C ATOM 781 OD1 ASP A 48 -18.535 -8.944 5.030 1.00 0.00 O ATOM 782 OD2 ASP A 48 -19.042 -10.924 5.839 1.00 0.00 O ATOM 0 H ASP A 48 -16.632 -7.902 6.450 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.884 -10.360 7.937 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -16.146 -9.808 5.030 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -16.552 -11.379 5.691 1.00 0.00 H new ATOM 787 N GLY A 49 -13.965 -9.184 7.281 1.00 0.00 N ATOM 788 CA GLY A 49 -12.541 -9.398 7.473 1.00 0.00 C ATOM 789 C GLY A 49 -11.966 -10.423 6.514 1.00 0.00 C ATOM 790 O GLY A 49 -10.860 -10.921 6.720 1.00 0.00 O ATOM 0 H GLY A 49 -14.226 -8.223 7.059 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.015 -8.452 7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.362 -9.725 8.497 1.00 0.00 H new ATOM 794 N ASN A 50 -12.716 -10.734 5.461 1.00 0.00 N ATOM 795 CA ASN A 50 -12.273 -11.707 4.467 1.00 0.00 C ATOM 796 C ASN A 50 -11.192 -11.122 3.565 1.00 0.00 C ATOM 797 O ASN A 50 -10.742 -11.773 2.621 1.00 0.00 O ATOM 798 CB ASN A 50 -13.456 -12.184 3.622 1.00 0.00 C ATOM 799 CG ASN A 50 -14.331 -11.040 3.147 1.00 0.00 C ATOM 800 OD1 ASN A 50 -13.861 -9.918 2.965 1.00 0.00 O ATOM 801 ND2 ASN A 50 -15.614 -11.321 2.944 1.00 0.00 N ATOM 0 H ASN A 50 -13.632 -10.327 5.274 1.00 0.00 H new ATOM 0 HA ASN A 50 -11.849 -12.558 5.000 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.083 -12.734 2.758 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.059 -12.879 4.206 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -16.251 -10.592 2.625 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.961 -12.266 3.108 1.00 0.00 H new ATOM 808 N GLY A 51 -10.773 -9.896 3.861 1.00 0.00 N ATOM 809 CA GLY A 51 -9.747 -9.250 3.063 1.00 0.00 C ATOM 810 C GLY A 51 -10.325 -8.430 1.927 1.00 0.00 C ATOM 811 O GLY A 51 -9.636 -7.591 1.346 1.00 0.00 O ATOM 0 H GLY A 51 -11.125 -9.338 4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.146 -8.604 3.703 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.077 -10.008 2.656 1.00 0.00 H new ATOM 815 N PHE A 52 -11.591 -8.674 1.609 1.00 0.00 N ATOM 816 CA PHE A 52 -12.264 -7.953 0.535 1.00 0.00 C ATOM 817 C PHE A 52 -13.367 -7.064 1.100 1.00 0.00 C ATOM 818 O PHE A 52 -14.131 -7.489 1.965 1.00 0.00 O ATOM 819 CB PHE A 52 -12.856 -8.937 -0.474 1.00 0.00 C ATOM 820 CG PHE A 52 -11.970 -10.118 -0.754 1.00 0.00 C ATOM 821 CD1 PHE A 52 -10.940 -10.027 -1.678 1.00 0.00 C ATOM 822 CD2 PHE A 52 -12.167 -11.319 -0.092 1.00 0.00 C ATOM 823 CE1 PHE A 52 -10.125 -11.114 -1.935 1.00 0.00 C ATOM 824 CE2 PHE A 52 -11.355 -12.408 -0.345 1.00 0.00 C ATOM 825 CZ PHE A 52 -10.333 -12.305 -1.268 1.00 0.00 C ATOM 0 H PHE A 52 -12.173 -9.367 2.080 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.530 -7.325 0.030 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.816 -9.294 -0.100 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.053 -8.412 -1.408 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.773 -9.098 -2.202 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -12.965 -11.405 0.631 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.326 -11.032 -2.657 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.519 -13.338 0.178 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.697 -13.155 -1.468 1.00 0.00 H new ATOM 835 N ILE A 53 -13.448 -5.834 0.606 1.00 0.00 N ATOM 836 CA ILE A 53 -14.458 -4.895 1.079 1.00 0.00 C ATOM 837 C ILE A 53 -15.541 -4.660 0.030 1.00 0.00 C ATOM 838 O ILE A 53 -15.316 -3.980 -0.971 1.00 0.00 O ATOM 839 CB ILE A 53 -13.827 -3.543 1.464 1.00 0.00 C ATOM 840 CG1 ILE A 53 -12.732 -3.747 2.514 1.00 0.00 C ATOM 841 CG2 ILE A 53 -14.891 -2.587 1.984 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.672 -2.670 2.494 1.00 0.00 C ATOM 0 H ILE A 53 -12.831 -5.465 -0.117 1.00 0.00 H new ATOM 0 HA ILE A 53 -14.913 -5.344 1.962 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.377 -3.105 0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.189 -3.778 3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.259 -4.715 2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.428 -1.637 2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.640 -2.420 1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.369 -3.018 2.864 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.928 -2.877 3.263 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.189 -2.653 1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.134 -1.702 2.687 1.00 0.00 H new ATOM 854 N SER A 54 -16.718 -5.232 0.272 1.00 0.00 N ATOM 855 CA SER A 54 -17.846 -5.082 -0.641 1.00 0.00 C ATOM 856 C SER A 54 -18.318 -3.631 -0.673 1.00 0.00 C ATOM 857 O SER A 54 -17.739 -2.771 -0.012 1.00 0.00 O ATOM 858 CB SER A 54 -18.994 -6.002 -0.219 1.00 0.00 C ATOM 859 OG SER A 54 -20.062 -5.947 -1.148 1.00 0.00 O ATOM 0 H SER A 54 -16.915 -5.804 1.093 1.00 0.00 H new ATOM 0 HA SER A 54 -17.520 -5.363 -1.643 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.631 -7.027 -0.138 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.352 -5.712 0.769 1.00 0.00 H new ATOM 0 HG SER A 54 -20.781 -6.545 -0.855 1.00 0.00 H new ATOM 865 N LYS A 55 -19.369 -3.360 -1.440 1.00 0.00 N ATOM 866 CA LYS A 55 -19.904 -2.006 -1.551 1.00 0.00 C ATOM 867 C LYS A 55 -20.460 -1.521 -0.216 1.00 0.00 C ATOM 868 O LYS A 55 -20.054 -0.477 0.295 1.00 0.00 O ATOM 869 CB LYS A 55 -21.007 -1.948 -2.612 1.00 0.00 C ATOM 870 CG LYS A 55 -20.528 -2.237 -4.029 1.00 0.00 C ATOM 871 CD LYS A 55 -20.343 -3.727 -4.278 1.00 0.00 C ATOM 872 CE LYS A 55 -21.660 -4.480 -4.171 1.00 0.00 C ATOM 873 NZ LYS A 55 -21.488 -5.937 -4.426 1.00 0.00 N ATOM 0 H LYS A 55 -19.867 -4.058 -1.993 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.083 -1.353 -1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -21.785 -2.665 -2.350 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.465 -0.959 -2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -21.248 -1.837 -4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.584 -1.721 -4.205 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -19.915 -3.881 -5.269 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -19.632 -4.131 -3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.083 -4.333 -3.177 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.373 -4.068 -4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.408 -6.415 -4.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.108 -6.079 -5.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -20.827 -6.336 -3.729 1.00 0.00 H new ATOM 887 N GLN A 56 -21.388 -2.294 0.344 1.00 0.00 N ATOM 888 CA GLN A 56 -22.022 -1.949 1.613 1.00 0.00 C ATOM 889 C GLN A 56 -20.987 -1.636 2.691 1.00 0.00 C ATOM 890 O GLN A 56 -21.143 -0.684 3.455 1.00 0.00 O ATOM 891 CB GLN A 56 -22.928 -3.093 2.076 1.00 0.00 C ATOM 892 CG GLN A 56 -23.891 -3.585 1.003 1.00 0.00 C ATOM 893 CD GLN A 56 -24.984 -2.581 0.680 1.00 0.00 C ATOM 894 OE1 GLN A 56 -24.796 -1.371 0.808 1.00 0.00 O ATOM 895 NE2 GLN A 56 -26.136 -3.083 0.250 1.00 0.00 N ATOM 0 H GLN A 56 -21.719 -3.168 -0.064 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.621 -1.053 1.453 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.307 -3.927 2.404 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.501 -2.763 2.942 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -23.331 -3.809 0.095 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -24.348 -4.518 1.333 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -26.250 -4.092 0.158 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -26.907 -2.459 0.011 1.00 0.00 H new ATOM 904 N GLU A 57 -19.931 -2.442 2.749 1.00 0.00 N ATOM 905 CA GLU A 57 -18.874 -2.249 3.738 1.00 0.00 C ATOM 906 C GLU A 57 -18.067 -0.989 3.439 1.00 0.00 C ATOM 907 O GLU A 57 -17.785 -0.190 4.336 1.00 0.00 O ATOM 908 CB GLU A 57 -17.953 -3.471 3.771 1.00 0.00 C ATOM 909 CG GLU A 57 -18.686 -4.771 4.054 1.00 0.00 C ATOM 910 CD GLU A 57 -17.775 -5.982 4.000 1.00 0.00 C ATOM 911 OE1 GLU A 57 -17.513 -6.478 2.885 1.00 0.00 O ATOM 912 OE2 GLU A 57 -17.323 -6.433 5.073 1.00 0.00 O ATOM 0 H GLU A 57 -19.784 -3.234 2.124 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.341 -2.129 4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.437 -3.554 2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.189 -3.320 4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.150 -4.714 5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.491 -4.895 3.329 1.00 0.00 H new ATOM 919 N LEU A 58 -17.697 -0.815 2.174 1.00 0.00 N ATOM 920 CA LEU A 58 -16.924 0.349 1.754 1.00 0.00 C ATOM 921 C LEU A 58 -17.723 1.626 2.007 1.00 0.00 C ATOM 922 O LEU A 58 -17.156 2.697 2.223 1.00 0.00 O ATOM 923 CB LEU A 58 -16.568 0.229 0.264 1.00 0.00 C ATOM 924 CG LEU A 58 -15.303 0.971 -0.197 1.00 0.00 C ATOM 925 CD1 LEU A 58 -15.515 2.476 -0.181 1.00 0.00 C ATOM 926 CD2 LEU A 58 -14.106 0.590 0.663 1.00 0.00 C ATOM 0 H LEU A 58 -17.920 -1.466 1.421 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.002 0.394 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.451 -0.828 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.412 0.597 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.096 0.669 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -14.604 2.975 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.335 2.735 -0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -15.758 2.798 0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.223 1.128 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.306 0.852 1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.930 -0.483 0.587 1.00 0.00 H new ATOM 938 N GLY A 59 -19.048 1.497 1.999 1.00 0.00 N ATOM 939 CA GLY A 59 -19.906 2.645 2.226 1.00 0.00 C ATOM 940 C GLY A 59 -19.740 3.211 3.621 1.00 0.00 C ATOM 941 O GLY A 59 -20.059 4.373 3.871 1.00 0.00 O ATOM 0 H GLY A 59 -19.541 0.618 1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.679 3.418 1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -20.946 2.356 2.073 1.00 0.00 H new ATOM 945 N THR A 60 -19.238 2.381 4.531 1.00 0.00 N ATOM 946 CA THR A 60 -19.016 2.797 5.908 1.00 0.00 C ATOM 947 C THR A 60 -17.627 3.406 6.058 1.00 0.00 C ATOM 948 O THR A 60 -17.363 4.166 6.990 1.00 0.00 O ATOM 949 CB THR A 60 -19.160 1.613 6.884 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.396 0.930 6.646 1.00 0.00 O ATOM 951 CG2 THR A 60 -19.113 2.088 8.329 1.00 0.00 C ATOM 0 H THR A 60 -18.977 1.414 4.337 1.00 0.00 H new ATOM 0 HA THR A 60 -19.773 3.542 6.152 1.00 0.00 H new ATOM 0 HB THR A 60 -18.326 0.932 6.715 1.00 0.00 H new ATOM 0 HG1 THR A 60 -20.479 0.178 7.269 1.00 0.00 H new ATOM 0 HG21 THR A 60 -19.217 1.233 8.997 1.00 0.00 H new ATOM 0 HG22 THR A 60 -18.160 2.583 8.519 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.928 2.789 8.508 1.00 0.00 H new ATOM 959 N ALA A 61 -16.740 3.062 5.129 1.00 0.00 N ATOM 960 CA ALA A 61 -15.376 3.576 5.141 1.00 0.00 C ATOM 961 C ALA A 61 -15.336 5.037 4.702 1.00 0.00 C ATOM 962 O ALA A 61 -14.688 5.869 5.336 1.00 0.00 O ATOM 963 CB ALA A 61 -14.489 2.729 4.242 1.00 0.00 C ATOM 0 H ALA A 61 -16.943 2.428 4.357 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.000 3.521 6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.473 3.122 4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.486 1.699 4.600 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.872 2.757 3.222 1.00 0.00 H new ATOM 969 N MET A 62 -16.029 5.337 3.607 1.00 0.00 N ATOM 970 CA MET A 62 -16.077 6.696 3.074 1.00 0.00 C ATOM 971 C MET A 62 -16.745 7.658 4.052 1.00 0.00 C ATOM 972 O MET A 62 -16.208 8.725 4.348 1.00 0.00 O ATOM 973 CB MET A 62 -16.824 6.715 1.739 1.00 0.00 C ATOM 974 CG MET A 62 -16.109 5.962 0.629 1.00 0.00 C ATOM 975 SD MET A 62 -14.529 6.712 0.192 1.00 0.00 S ATOM 976 CE MET A 62 -14.003 5.642 -1.144 1.00 0.00 C ATOM 0 H MET A 62 -16.566 4.656 3.070 1.00 0.00 H new ATOM 0 HA MET A 62 -15.050 7.027 2.921 1.00 0.00 H new ATOM 0 HB2 MET A 62 -17.814 6.282 1.880 1.00 0.00 H new ATOM 0 HB3 MET A 62 -16.970 7.750 1.429 1.00 0.00 H new ATOM 0 HG2 MET A 62 -15.944 4.931 0.942 1.00 0.00 H new ATOM 0 HG3 MET A 62 -16.748 5.929 -0.253 1.00 0.00 H new ATOM 0 HE1 MET A 62 -13.513 6.237 -1.915 1.00 0.00 H new ATOM 0 HE2 MET A 62 -13.305 4.898 -0.761 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.871 5.139 -1.571 1.00 0.00 H new ATOM 986 N ARG A 63 -17.920 7.276 4.550 1.00 0.00 N ATOM 987 CA ARG A 63 -18.662 8.115 5.489 1.00 0.00 C ATOM 988 C ARG A 63 -17.814 8.455 6.712 1.00 0.00 C ATOM 989 O ARG A 63 -17.960 9.527 7.299 1.00 0.00 O ATOM 990 CB ARG A 63 -19.959 7.423 5.916 1.00 0.00 C ATOM 991 CG ARG A 63 -19.745 6.128 6.681 1.00 0.00 C ATOM 992 CD ARG A 63 -19.744 6.357 8.184 1.00 0.00 C ATOM 993 NE ARG A 63 -21.015 6.903 8.653 1.00 0.00 N ATOM 994 CZ ARG A 63 -21.205 7.384 9.877 1.00 0.00 C ATOM 995 NH1 ARG A 63 -20.213 7.384 10.757 1.00 0.00 N ATOM 996 NH2 ARG A 63 -22.390 7.867 10.224 1.00 0.00 N ATOM 0 H ARG A 63 -18.377 6.394 4.320 1.00 0.00 H new ATOM 0 HA ARG A 63 -18.912 9.047 4.982 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.537 8.108 6.536 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -20.557 7.214 5.029 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -20.530 5.418 6.422 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -18.798 5.680 6.380 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -19.543 5.415 8.695 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -18.936 7.040 8.447 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.802 6.916 8.004 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -19.299 7.014 10.495 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -20.364 7.754 11.695 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -23.157 7.870 9.551 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -22.535 8.236 11.164 1.00 0.00 H new ATOM 1010 N SER A 64 -16.935 7.532 7.093 1.00 0.00 N ATOM 1011 CA SER A 64 -16.059 7.741 8.241 1.00 0.00 C ATOM 1012 C SER A 64 -15.249 9.022 8.074 1.00 0.00 C ATOM 1013 O SER A 64 -14.992 9.739 9.042 1.00 0.00 O ATOM 1014 CB SER A 64 -15.118 6.548 8.419 1.00 0.00 C ATOM 1015 OG SER A 64 -14.276 6.725 9.545 1.00 0.00 O ATOM 0 H SER A 64 -16.811 6.634 6.625 1.00 0.00 H new ATOM 0 HA SER A 64 -16.682 7.836 9.131 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.702 5.635 8.538 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.510 6.424 7.523 1.00 0.00 H new ATOM 0 HG SER A 64 -13.801 5.889 9.733 1.00 0.00 H new ATOM 1021 N LEU A 65 -14.848 9.303 6.836 1.00 0.00 N ATOM 1022 CA LEU A 65 -14.069 10.499 6.535 1.00 0.00 C ATOM 1023 C LEU A 65 -14.982 11.715 6.415 1.00 0.00 C ATOM 1024 O LEU A 65 -14.526 12.858 6.477 1.00 0.00 O ATOM 1025 CB LEU A 65 -13.285 10.306 5.233 1.00 0.00 C ATOM 1026 CG LEU A 65 -12.560 8.964 5.102 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -11.875 8.860 3.748 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.550 8.787 6.226 1.00 0.00 C ATOM 0 H LEU A 65 -15.050 8.718 6.026 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.367 10.667 7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -13.973 10.413 4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.551 11.107 5.147 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.299 8.166 5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.364 7.900 3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.620 8.939 2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.149 9.666 3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.046 7.827 6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.814 9.590 6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.065 8.817 7.186 1.00 0.00 H new ATOM 1040 N GLY A 66 -16.276 11.458 6.243 1.00 0.00 N ATOM 1041 CA GLY A 66 -17.241 12.534 6.115 1.00 0.00 C ATOM 1042 C GLY A 66 -17.943 12.522 4.772 1.00 0.00 C ATOM 1043 O GLY A 66 -18.518 13.528 4.355 1.00 0.00 O ATOM 0 H GLY A 66 -16.673 10.520 6.190 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.982 12.451 6.910 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.735 13.490 6.249 1.00 0.00 H new ATOM 1047 N TYR A 67 -17.896 11.378 4.095 1.00 0.00 N ATOM 1048 CA TYR A 67 -18.532 11.229 2.791 1.00 0.00 C ATOM 1049 C TYR A 67 -19.471 10.027 2.788 1.00 0.00 C ATOM 1050 O TYR A 67 -19.060 8.907 2.486 1.00 0.00 O ATOM 1051 CB TYR A 67 -17.474 11.066 1.699 1.00 0.00 C ATOM 1052 CG TYR A 67 -16.418 12.149 1.711 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -16.621 13.353 1.048 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -15.219 11.968 2.389 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -15.657 14.343 1.057 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -14.251 12.953 2.404 1.00 0.00 C ATOM 1057 CZ TYR A 67 -14.475 14.140 1.737 1.00 0.00 C ATOM 1058 OH TYR A 67 -13.514 15.125 1.750 1.00 0.00 O ATOM 0 H TYR A 67 -17.422 10.539 4.430 1.00 0.00 H new ATOM 0 HA TYR A 67 -19.114 12.129 2.589 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -16.989 10.097 1.816 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -17.966 11.061 0.726 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -17.547 13.518 0.517 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -15.041 11.041 2.913 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -15.829 15.272 0.534 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.324 12.795 2.935 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.743 14.823 2.274 1.00 0.00 H new ATOM 1068 N MET A 68 -20.734 10.268 3.127 1.00 0.00 N ATOM 1069 CA MET A 68 -21.735 9.206 3.173 1.00 0.00 C ATOM 1070 C MET A 68 -22.369 8.976 1.797 1.00 0.00 C ATOM 1071 O MET A 68 -23.123 9.818 1.310 1.00 0.00 O ATOM 1072 CB MET A 68 -22.821 9.553 4.195 1.00 0.00 C ATOM 1073 CG MET A 68 -23.326 10.984 4.089 1.00 0.00 C ATOM 1074 SD MET A 68 -24.720 11.313 5.186 1.00 0.00 S ATOM 1075 CE MET A 68 -25.968 10.241 4.479 1.00 0.00 C ATOM 0 H MET A 68 -21.090 11.191 3.374 1.00 0.00 H new ATOM 0 HA MET A 68 -21.234 8.286 3.473 1.00 0.00 H new ATOM 0 HB2 MET A 68 -23.661 8.870 4.065 1.00 0.00 H new ATOM 0 HB3 MET A 68 -22.429 9.389 5.199 1.00 0.00 H new ATOM 0 HG2 MET A 68 -22.513 11.670 4.325 1.00 0.00 H new ATOM 0 HG3 MET A 68 -23.624 11.185 3.060 1.00 0.00 H new ATOM 0 HE1 MET A 68 -26.958 10.596 4.767 1.00 0.00 H new ATOM 0 HE2 MET A 68 -25.881 10.249 3.392 1.00 0.00 H new ATOM 0 HE3 MET A 68 -25.826 9.225 4.847 1.00 0.00 H new ATOM 1085 N PRO A 69 -22.072 7.832 1.149 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.621 7.502 -0.164 1.00 0.00 C ATOM 1087 C PRO A 69 -23.952 6.765 -0.065 1.00 0.00 C ATOM 1088 O PRO A 69 -24.212 6.063 0.913 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.547 6.590 -0.744 1.00 0.00 C ATOM 1090 CG PRO A 69 -21.002 5.856 0.437 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.169 6.767 1.633 1.00 0.00 C ATOM 0 HA PRO A 69 -22.835 8.385 -0.766 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.965 5.903 -1.480 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.769 7.163 -1.248 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.535 4.917 0.589 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.952 5.605 0.286 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.598 6.236 2.482 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.213 7.174 1.961 1.00 0.00 H new ATOM 1099 N ASN A 70 -24.793 6.926 -1.083 1.00 0.00 N ATOM 1100 CA ASN A 70 -26.095 6.269 -1.109 1.00 0.00 C ATOM 1101 C ASN A 70 -25.977 4.862 -1.685 1.00 0.00 C ATOM 1102 O ASN A 70 -24.923 4.482 -2.194 1.00 0.00 O ATOM 1103 CB ASN A 70 -27.091 7.087 -1.935 1.00 0.00 C ATOM 1104 CG ASN A 70 -27.293 8.484 -1.382 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -28.176 8.716 -0.556 1.00 0.00 O ATOM 1106 ND2 ASN A 70 -26.473 9.424 -1.836 1.00 0.00 N ATOM 0 H ASN A 70 -24.596 7.505 -1.899 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.459 6.198 -0.084 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -26.736 7.154 -2.964 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -28.049 6.568 -1.962 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -26.561 10.383 -1.500 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -25.755 9.187 -2.521 1.00 0.00 H new ATOM 1113 N GLU A 71 -27.060 4.096 -1.606 1.00 0.00 N ATOM 1114 CA GLU A 71 -27.070 2.729 -2.121 1.00 0.00 C ATOM 1115 C GLU A 71 -26.771 2.708 -3.617 1.00 0.00 C ATOM 1116 O GLU A 71 -26.317 1.699 -4.156 1.00 0.00 O ATOM 1117 CB GLU A 71 -28.422 2.066 -1.849 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.595 2.781 -2.503 1.00 0.00 C ATOM 1119 CD GLU A 71 -30.914 2.071 -2.271 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -31.238 1.150 -3.050 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -31.624 2.434 -1.309 1.00 0.00 O ATOM 0 H GLU A 71 -27.942 4.397 -1.191 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.290 2.169 -1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -28.390 1.037 -2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -28.587 2.025 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -29.660 3.797 -2.113 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -29.414 2.862 -3.575 1.00 0.00 H new ATOM 1128 N VAL A 72 -27.036 3.823 -4.283 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.791 3.935 -5.717 1.00 0.00 C ATOM 1130 C VAL A 72 -25.390 4.476 -5.999 1.00 0.00 C ATOM 1131 O VAL A 72 -24.856 4.306 -7.096 1.00 0.00 O ATOM 1132 CB VAL A 72 -27.835 4.852 -6.386 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -27.753 6.263 -5.821 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -27.655 4.861 -7.896 1.00 0.00 C ATOM 0 H VAL A 72 -27.421 4.665 -3.854 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.874 2.932 -6.136 1.00 0.00 H new ATOM 0 HB VAL A 72 -28.827 4.457 -6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -28.498 6.893 -6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -27.944 6.237 -4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -26.759 6.671 -6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -28.402 5.514 -8.348 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -26.658 5.226 -8.141 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -27.776 3.849 -8.283 1.00 0.00 H new ATOM 1144 N GLU A 73 -24.796 5.119 -4.999 1.00 0.00 N ATOM 1145 CA GLU A 73 -23.467 5.705 -5.146 1.00 0.00 C ATOM 1146 C GLU A 73 -22.355 4.706 -4.827 1.00 0.00 C ATOM 1147 O GLU A 73 -21.465 4.479 -5.648 1.00 0.00 O ATOM 1148 CB GLU A 73 -23.334 6.930 -4.240 1.00 0.00 C ATOM 1149 CG GLU A 73 -24.349 8.020 -4.541 1.00 0.00 C ATOM 1150 CD GLU A 73 -24.258 8.526 -5.967 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -23.436 9.430 -6.226 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -25.009 8.017 -6.827 1.00 0.00 O ATOM 0 H GLU A 73 -25.214 5.248 -4.077 1.00 0.00 H new ATOM 0 HA GLU A 73 -23.356 5.999 -6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -23.445 6.618 -3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -22.330 7.341 -4.343 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -25.353 7.636 -4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -24.197 8.852 -3.854 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.402 4.112 -3.637 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.377 3.157 -3.215 1.00 0.00 C ATOM 1161 C LEU A 74 -21.209 2.021 -4.225 1.00 0.00 C ATOM 1162 O LEU A 74 -20.215 1.294 -4.192 1.00 0.00 O ATOM 1163 CB LEU A 74 -21.705 2.590 -1.825 1.00 0.00 C ATOM 1164 CG LEU A 74 -22.594 1.342 -1.800 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -22.783 0.849 -0.376 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.939 1.619 -2.440 1.00 0.00 C ATOM 0 H LEU A 74 -23.137 4.274 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.431 3.697 -3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -20.768 2.354 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -22.193 3.371 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 74 -22.094 0.564 -2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -23.417 -0.038 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -21.813 0.600 0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.255 1.630 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.550 0.717 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -24.443 2.417 -1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.793 1.923 -3.477 1.00 0.00 H new ATOM 1178 N GLU A 75 -22.180 1.870 -5.122 1.00 0.00 N ATOM 1179 CA GLU A 75 -22.126 0.818 -6.133 1.00 0.00 C ATOM 1180 C GLU A 75 -21.275 1.235 -7.331 1.00 0.00 C ATOM 1181 O GLU A 75 -20.627 0.396 -7.958 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.535 0.449 -6.600 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.371 -0.237 -5.532 1.00 0.00 C ATOM 1184 CD GLU A 75 -25.678 -0.781 -6.077 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -26.652 -0.006 -6.167 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -25.725 -1.983 -6.415 1.00 0.00 O ATOM 0 H GLU A 75 -23.011 2.460 -5.170 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.661 -0.054 -5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -24.049 1.353 -6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.461 -0.206 -7.468 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -23.796 -1.053 -5.094 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -24.582 0.471 -4.730 1.00 0.00 H new ATOM 1193 N VAL A 76 -21.278 2.527 -7.650 1.00 0.00 N ATOM 1194 CA VAL A 76 -20.505 3.029 -8.782 1.00 0.00 C ATOM 1195 C VAL A 76 -19.090 3.427 -8.373 1.00 0.00 C ATOM 1196 O VAL A 76 -18.167 3.393 -9.188 1.00 0.00 O ATOM 1197 CB VAL A 76 -21.195 4.232 -9.457 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -22.588 3.848 -9.932 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -21.255 5.424 -8.513 1.00 0.00 C ATOM 0 H VAL A 76 -21.803 3.241 -7.145 1.00 0.00 H new ATOM 0 HA VAL A 76 -20.447 2.208 -9.496 1.00 0.00 H new ATOM 0 HB VAL A 76 -20.604 4.522 -10.325 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -23.061 4.708 -10.406 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -22.515 3.032 -10.651 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -23.188 3.528 -9.080 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -21.746 6.259 -9.012 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -21.819 5.153 -7.620 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.244 5.715 -8.229 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.923 3.800 -7.111 1.00 0.00 N ATOM 1210 CA ILE A 77 -17.617 4.203 -6.601 1.00 0.00 C ATOM 1211 C ILE A 77 -16.697 2.998 -6.432 1.00 0.00 C ATOM 1212 O ILE A 77 -15.499 3.077 -6.704 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.750 4.941 -5.254 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -18.509 6.254 -5.448 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -16.380 5.198 -4.643 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -19.535 6.521 -4.371 1.00 0.00 C ATOM 0 H ILE A 77 -19.674 3.832 -6.422 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.180 4.881 -7.334 1.00 0.00 H new ATOM 0 HB ILE A 77 -18.313 4.310 -4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.795 7.077 -5.471 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -19.007 6.237 -6.417 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.497 5.720 -3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.873 4.248 -4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.788 5.811 -5.323 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -20.035 7.468 -4.572 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -20.271 5.717 -4.362 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -19.040 6.570 -3.401 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.267 1.886 -5.984 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.502 0.662 -5.775 1.00 0.00 C ATOM 1230 C ILE A 78 -15.801 0.216 -7.055 1.00 0.00 C ATOM 1231 O ILE A 78 -14.634 -0.174 -7.023 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.407 -0.475 -5.245 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.364 -0.511 -3.713 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -17.006 -1.827 -5.829 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.010 -0.888 -3.144 1.00 0.00 C ATOM 0 H ILE A 78 -18.258 1.806 -5.758 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.741 0.882 -5.026 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.429 -0.272 -5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -17.649 0.468 -3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.108 -1.223 -3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -17.663 -2.603 -5.435 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -17.093 -1.795 -6.915 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -15.975 -2.051 -5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.061 -0.891 -2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -15.730 -1.881 -3.497 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.264 -0.163 -3.470 1.00 0.00 H new ATOM 1247 N GLN A 79 -16.512 0.273 -8.178 1.00 0.00 N ATOM 1248 CA GLN A 79 -15.951 -0.135 -9.463 1.00 0.00 C ATOM 1249 C GLN A 79 -14.621 0.562 -9.737 1.00 0.00 C ATOM 1250 O GLN A 79 -13.681 -0.056 -10.235 1.00 0.00 O ATOM 1251 CB GLN A 79 -16.938 0.172 -10.590 1.00 0.00 C ATOM 1252 CG GLN A 79 -18.247 -0.593 -10.481 1.00 0.00 C ATOM 1253 CD GLN A 79 -19.157 -0.364 -11.671 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -20.002 0.656 -11.582 1.00 0.00 O flip ATOM 1255 NE2 GLN A 79 -19.102 -1.097 -12.659 1.00 0.00 N flip ATOM 0 H GLN A 79 -17.478 0.598 -8.224 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.770 -1.209 -9.421 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.151 1.241 -10.593 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -16.469 -0.062 -11.546 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.034 -1.658 -10.391 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -18.764 -0.293 -9.570 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.437 -1.870 -12.684 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.722 -0.931 -13.452 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.557 1.854 -9.418 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.343 2.641 -9.628 1.00 0.00 C ATOM 1266 C ARG A 80 -12.103 1.900 -9.138 1.00 0.00 C ATOM 1267 O ARG A 80 -11.048 1.956 -9.770 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.458 3.990 -8.919 1.00 0.00 C ATOM 1269 CG ARG A 80 -14.571 4.864 -9.467 1.00 0.00 C ATOM 1270 CD ARG A 80 -14.385 6.319 -9.072 1.00 0.00 C ATOM 1271 NE ARG A 80 -14.502 6.519 -7.629 1.00 0.00 N ATOM 1272 CZ ARG A 80 -14.423 7.710 -7.042 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -14.231 8.801 -7.771 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -14.537 7.810 -5.725 1.00 0.00 N ATOM 0 H ARG A 80 -15.333 2.378 -9.013 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.236 2.804 -10.700 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.629 3.820 -7.856 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.511 4.522 -9.009 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.597 4.782 -10.554 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.532 4.506 -9.097 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -13.406 6.662 -9.406 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.129 6.930 -9.583 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.653 5.700 -7.040 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.144 8.728 -8.785 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.171 9.713 -7.318 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -14.685 6.973 -5.161 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.476 8.724 -5.276 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.233 1.206 -8.013 1.00 0.00 N ATOM 1289 CA LEU A 81 -11.117 0.456 -7.449 1.00 0.00 C ATOM 1290 C LEU A 81 -11.113 -0.981 -7.960 1.00 0.00 C ATOM 1291 O LEU A 81 -10.057 -1.543 -8.255 1.00 0.00 O ATOM 1292 CB LEU A 81 -11.180 0.463 -5.919 1.00 0.00 C ATOM 1293 CG LEU A 81 -11.013 1.837 -5.265 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -12.318 2.618 -5.310 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -10.529 1.687 -3.830 1.00 0.00 C ATOM 0 H LEU A 81 -13.097 1.147 -7.475 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.195 0.942 -7.767 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.138 0.045 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.404 -0.200 -5.537 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.264 2.395 -5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.176 3.591 -4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.623 2.757 -6.347 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.091 2.066 -4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.415 2.673 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.256 1.109 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.569 1.172 -3.822 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.299 -1.571 -8.061 1.00 0.00 N ATOM 1308 CA ASP A 82 -12.437 -2.942 -8.535 1.00 0.00 C ATOM 1309 C ASP A 82 -12.253 -3.013 -10.049 1.00 0.00 C ATOM 1310 O ASP A 82 -13.226 -2.993 -10.804 1.00 0.00 O ATOM 1311 CB ASP A 82 -13.808 -3.498 -8.147 1.00 0.00 C ATOM 1312 CG ASP A 82 -13.818 -5.011 -8.070 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.207 -5.652 -8.948 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -14.436 -5.553 -7.132 1.00 0.00 O ATOM 0 H ASP A 82 -13.181 -1.119 -7.820 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.661 -3.547 -8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.104 -3.086 -7.182 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.550 -3.169 -8.875 1.00 0.00 H new ATOM 1319 N MET A 83 -10.999 -3.093 -10.484 1.00 0.00 N ATOM 1320 CA MET A 83 -10.682 -3.160 -11.908 1.00 0.00 C ATOM 1321 C MET A 83 -11.318 -4.385 -12.563 1.00 0.00 C ATOM 1322 O MET A 83 -11.945 -4.276 -13.617 1.00 0.00 O ATOM 1323 CB MET A 83 -9.167 -3.187 -12.116 1.00 0.00 C ATOM 1324 CG MET A 83 -8.462 -1.943 -11.600 1.00 0.00 C ATOM 1325 SD MET A 83 -6.695 -1.943 -11.964 1.00 0.00 S ATOM 1326 CE MET A 83 -6.714 -1.941 -13.756 1.00 0.00 C ATOM 0 H MET A 83 -10.184 -3.113 -9.870 1.00 0.00 H new ATOM 0 HA MET A 83 -11.094 -2.268 -12.381 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.755 -4.063 -11.615 1.00 0.00 H new ATOM 0 HB3 MET A 83 -8.956 -3.300 -13.179 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.920 -1.060 -12.045 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.607 -1.869 -10.522 1.00 0.00 H new ATOM 0 HE1 MET A 83 -5.772 -1.539 -14.129 1.00 0.00 H new ATOM 0 HE2 MET A 83 -6.843 -2.960 -14.120 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.538 -1.322 -14.110 1.00 0.00 H new ATOM 1336 N ASP A 84 -11.153 -5.544 -11.936 1.00 0.00 N ATOM 1337 CA ASP A 84 -11.710 -6.783 -12.470 1.00 0.00 C ATOM 1338 C ASP A 84 -13.235 -6.777 -12.396 1.00 0.00 C ATOM 1339 O ASP A 84 -13.905 -7.516 -13.118 1.00 0.00 O ATOM 1340 CB ASP A 84 -11.150 -7.990 -11.715 1.00 0.00 C ATOM 1341 CG ASP A 84 -11.201 -7.806 -10.213 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -12.260 -8.086 -9.618 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -10.180 -7.382 -9.631 1.00 0.00 O ATOM 0 H ASP A 84 -10.640 -5.653 -11.061 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.420 -6.857 -13.518 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.716 -8.881 -11.989 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.118 -8.161 -12.023 1.00 0.00 H new ATOM 1348 N GLY A 85 -13.774 -5.936 -11.519 1.00 0.00 N ATOM 1349 CA GLY A 85 -15.215 -5.825 -11.373 1.00 0.00 C ATOM 1350 C GLY A 85 -15.855 -7.040 -10.725 1.00 0.00 C ATOM 1351 O GLY A 85 -16.947 -7.448 -11.118 1.00 0.00 O ATOM 0 H GLY A 85 -13.236 -5.326 -10.904 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.445 -4.942 -10.776 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.661 -5.670 -12.356 1.00 0.00 H new ATOM 1355 N ASP A 86 -15.185 -7.618 -9.732 1.00 0.00 N ATOM 1356 CA ASP A 86 -15.720 -8.785 -9.037 1.00 0.00 C ATOM 1357 C ASP A 86 -16.738 -8.359 -7.983 1.00 0.00 C ATOM 1358 O ASP A 86 -17.520 -9.176 -7.494 1.00 0.00 O ATOM 1359 CB ASP A 86 -14.595 -9.590 -8.382 1.00 0.00 C ATOM 1360 CG ASP A 86 -14.069 -8.933 -7.122 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -13.158 -8.087 -7.230 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -14.568 -9.265 -6.027 1.00 0.00 O ATOM 0 H ASP A 86 -14.277 -7.300 -9.392 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.217 -9.417 -9.772 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.960 -10.589 -8.142 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.778 -9.711 -9.093 1.00 0.00 H new ATOM 1367 N GLY A 87 -16.719 -7.074 -7.637 1.00 0.00 N ATOM 1368 CA GLY A 87 -17.643 -6.554 -6.644 1.00 0.00 C ATOM 1369 C GLY A 87 -16.956 -6.172 -5.349 1.00 0.00 C ATOM 1370 O GLY A 87 -17.480 -5.372 -4.574 1.00 0.00 O ATOM 0 H GLY A 87 -16.079 -6.383 -8.028 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.154 -5.681 -7.051 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.407 -7.303 -6.438 1.00 0.00 H new ATOM 1374 N GLN A 88 -15.778 -6.743 -5.111 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.020 -6.459 -3.898 1.00 0.00 C ATOM 1376 C GLN A 88 -13.582 -6.070 -4.235 1.00 0.00 C ATOM 1377 O GLN A 88 -12.923 -6.725 -5.041 1.00 0.00 O ATOM 1378 CB GLN A 88 -15.040 -7.680 -2.976 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.443 -8.193 -2.689 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.451 -9.571 -2.053 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -15.525 -9.941 -1.335 1.00 0.00 O ATOM 1382 NE2 GLN A 88 -17.502 -10.338 -2.319 1.00 0.00 N ATOM 0 H GLN A 88 -15.328 -7.405 -5.743 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.486 -5.618 -3.385 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.454 -8.479 -3.430 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.554 -7.424 -2.034 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -16.953 -7.491 -2.029 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -17.010 -8.225 -3.619 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -18.248 -9.990 -2.921 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -17.563 -11.275 -1.921 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.103 -4.997 -3.612 1.00 0.00 N ATOM 1392 CA VAL A 89 -11.749 -4.510 -3.855 1.00 0.00 C ATOM 1393 C VAL A 89 -10.709 -5.338 -3.109 1.00 0.00 C ATOM 1394 O VAL A 89 -10.803 -5.530 -1.896 1.00 0.00 O ATOM 1395 CB VAL A 89 -11.603 -3.032 -3.444 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.214 -2.514 -3.789 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -12.675 -2.183 -4.113 1.00 0.00 C ATOM 0 H VAL A 89 -13.633 -4.448 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.574 -4.605 -4.927 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.735 -2.961 -2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.131 -1.469 -3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.464 -3.103 -3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.050 -2.599 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.556 -1.142 -3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -12.577 -2.260 -5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.661 -2.538 -3.812 1.00 0.00 H new ATOM 1407 N ASP A 90 -9.714 -5.825 -3.846 1.00 0.00 N ATOM 1408 CA ASP A 90 -8.645 -6.628 -3.262 1.00 0.00 C ATOM 1409 C ASP A 90 -7.517 -5.742 -2.741 1.00 0.00 C ATOM 1410 O ASP A 90 -7.326 -4.624 -3.219 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.099 -7.618 -4.293 1.00 0.00 C ATOM 1412 CG ASP A 90 -7.023 -8.518 -3.718 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -5.835 -8.136 -3.774 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -7.368 -9.607 -3.212 1.00 0.00 O ATOM 0 H ASP A 90 -9.626 -5.677 -4.851 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.062 -7.183 -2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.917 -8.231 -4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.693 -7.067 -5.142 1.00 0.00 H new ATOM 1419 N PHE A 91 -6.780 -6.250 -1.756 1.00 0.00 N ATOM 1420 CA PHE A 91 -5.669 -5.513 -1.156 1.00 0.00 C ATOM 1421 C PHE A 91 -4.772 -4.869 -2.214 1.00 0.00 C ATOM 1422 O PHE A 91 -4.586 -3.653 -2.218 1.00 0.00 O ATOM 1423 CB PHE A 91 -4.843 -6.450 -0.268 1.00 0.00 C ATOM 1424 CG PHE A 91 -3.701 -5.775 0.444 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -3.882 -4.561 1.088 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.448 -6.364 0.475 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -2.835 -3.949 1.748 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.396 -5.755 1.133 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.590 -4.546 1.771 1.00 0.00 C ATOM 0 H PHE A 91 -6.933 -7.175 -1.354 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.092 -4.710 -0.552 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.501 -6.905 0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.447 -7.259 -0.882 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.853 -4.088 1.073 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.291 -7.310 -0.021 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.990 -3.003 2.246 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.423 -6.224 1.148 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.770 -4.068 2.287 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.225 -5.690 -3.106 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.335 -5.205 -4.161 1.00 0.00 C ATOM 1441 C GLU A 92 -3.956 -4.045 -4.938 1.00 0.00 C ATOM 1442 O GLU A 92 -3.334 -2.998 -5.109 1.00 0.00 O ATOM 1443 CB GLU A 92 -2.983 -6.344 -5.119 1.00 0.00 C ATOM 1444 CG GLU A 92 -2.226 -7.483 -4.455 1.00 0.00 C ATOM 1445 CD GLU A 92 -1.865 -8.589 -5.426 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -2.681 -9.518 -5.599 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -0.765 -8.526 -6.014 1.00 0.00 O ATOM 0 H GLU A 92 -4.382 -6.698 -3.121 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.427 -4.838 -3.682 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.901 -6.735 -5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.382 -5.947 -5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.315 -7.093 -4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.833 -7.896 -3.649 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.177 -4.236 -5.418 1.00 0.00 N ATOM 1455 CA GLU A 93 -5.867 -3.198 -6.176 1.00 0.00 C ATOM 1456 C GLU A 93 -5.912 -1.883 -5.400 1.00 0.00 C ATOM 1457 O GLU A 93 -5.997 -0.804 -5.991 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.289 -3.648 -6.516 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.343 -4.931 -7.333 1.00 0.00 C ATOM 1460 CD GLU A 93 -8.761 -5.407 -7.581 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.397 -4.911 -8.534 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -9.237 -6.275 -6.819 1.00 0.00 O ATOM 0 H GLU A 93 -5.710 -5.097 -5.297 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.310 -3.032 -7.098 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.846 -3.793 -5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.790 -2.854 -7.069 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.846 -4.769 -8.289 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.788 -5.712 -6.813 1.00 0.00 H new ATOM 1469 N PHE A 94 -5.837 -1.974 -4.076 1.00 0.00 N ATOM 1470 CA PHE A 94 -5.891 -0.790 -3.226 1.00 0.00 C ATOM 1471 C PHE A 94 -4.502 -0.215 -2.957 1.00 0.00 C ATOM 1472 O PHE A 94 -4.335 1.004 -2.890 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.583 -1.120 -1.902 1.00 0.00 C ATOM 1474 CG PHE A 94 -6.821 0.084 -1.036 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.812 0.998 -1.355 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.055 0.299 0.098 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -8.034 2.106 -0.561 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.271 1.406 0.896 1.00 0.00 C ATOM 1479 CZ PHE A 94 -7.263 2.310 0.567 1.00 0.00 C ATOM 0 H PHE A 94 -5.739 -2.854 -3.569 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.466 -0.033 -3.759 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.538 -1.603 -2.110 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.975 -1.839 -1.353 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -8.418 0.842 -2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.281 -0.406 0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.809 2.812 -0.821 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.665 1.565 1.776 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.435 3.175 1.191 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.506 -1.085 -2.804 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.146 -0.630 -2.527 1.00 0.00 C ATOM 1491 C VAL A 95 -1.594 0.213 -3.671 1.00 0.00 C ATOM 1492 O VAL A 95 -0.781 1.111 -3.451 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.177 -1.801 -2.255 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -1.709 -2.688 -1.145 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -0.921 -2.613 -3.515 1.00 0.00 C ATOM 0 H VAL A 95 -3.613 -2.097 -2.866 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.215 -0.020 -1.626 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.225 -1.378 -1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.012 -3.507 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.819 -2.102 -0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.678 -3.093 -1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.235 -3.429 -3.289 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.863 -3.021 -3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.482 -1.971 -4.279 1.00 0.00 H new ATOM 1505 N THR A 96 -2.035 -0.078 -4.893 1.00 0.00 N ATOM 1506 CA THR A 96 -1.572 0.657 -6.064 1.00 0.00 C ATOM 1507 C THR A 96 -2.278 2.002 -6.194 1.00 0.00 C ATOM 1508 O THR A 96 -1.637 3.029 -6.422 1.00 0.00 O ATOM 1509 CB THR A 96 -1.792 -0.153 -7.356 1.00 0.00 C ATOM 1510 OG1 THR A 96 -1.087 -1.398 -7.278 1.00 0.00 O ATOM 1511 CG2 THR A 96 -1.319 0.626 -8.575 1.00 0.00 C ATOM 0 H THR A 96 -2.710 -0.815 -5.096 1.00 0.00 H new ATOM 0 HA THR A 96 -0.505 0.828 -5.924 1.00 0.00 H new ATOM 0 HB THR A 96 -2.860 -0.344 -7.460 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.233 -1.909 -8.102 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.486 0.032 -9.474 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.876 1.560 -8.649 1.00 0.00 H new ATOM 0 HG23 THR A 96 -0.256 0.845 -8.477 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.600 1.994 -6.052 1.00 0.00 N ATOM 1520 CA LEU A 97 -4.383 3.220 -6.161 1.00 0.00 C ATOM 1521 C LEU A 97 -4.013 4.203 -5.055 1.00 0.00 C ATOM 1522 O LEU A 97 -4.221 5.409 -5.186 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.878 2.906 -6.101 1.00 0.00 C ATOM 1524 CG LEU A 97 -6.403 2.025 -7.236 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -7.863 1.677 -7.003 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -6.229 2.720 -8.579 1.00 0.00 C ATOM 0 H LEU A 97 -4.149 1.156 -5.862 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.155 3.680 -7.123 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.092 2.415 -5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.431 3.845 -6.106 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.824 1.102 -7.251 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.222 1.050 -7.819 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.963 1.139 -6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.453 2.592 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.608 2.077 -9.373 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.782 3.659 -8.577 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.172 2.922 -8.750 1.00 0.00 H new ATOM 1538 N LEU A 98 -3.465 3.676 -3.965 1.00 0.00 N ATOM 1539 CA LEU A 98 -3.064 4.504 -2.833 1.00 0.00 C ATOM 1540 C LEU A 98 -1.554 4.723 -2.832 1.00 0.00 C ATOM 1541 O LEU A 98 -1.053 5.662 -2.212 1.00 0.00 O ATOM 1542 CB LEU A 98 -3.508 3.849 -1.521 1.00 0.00 C ATOM 1543 CG LEU A 98 -3.211 4.653 -0.254 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -4.336 4.491 0.755 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -1.887 4.217 0.357 1.00 0.00 C ATOM 0 H LEU A 98 -3.288 2.679 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.549 5.476 -2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.581 3.665 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.022 2.877 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.137 5.706 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.108 5.070 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.269 4.848 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.439 3.439 1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.692 4.800 1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.936 3.159 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.084 4.380 -0.361 1.00 0.00 H new