USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 527 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 Set 1.1: A 72 TYR OH : rot 165:sc= 1.06 USER MOD Set 1.2: A 97 LYS NZ :NH3+ -146:sc= 0.711 (180deg=-1.81!) USER MOD Single : A 38 MET CE :methyl -171:sc=-0.00443 (180deg=-0.168) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -4.49! C(o=-4.5!,f=-3.4!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.581 K(o=-0.58,f=-4.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -46:sc= -0.18 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : A 76 MET CE :methyl 137:sc= -2.61 (180deg=-4.18!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -4.97! C(o=-5!,f=-6.2!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -164:sc= 0.0036 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0137) USER MOD ----------------------------------------------------------------- ATOM 524 N GLU A 37 16.155 1.418 6.578 1.00 0.00 N ATOM 525 CA GLU A 37 15.434 2.253 7.531 1.00 0.00 C ATOM 526 C GLU A 37 14.201 2.878 6.884 1.00 0.00 C ATOM 527 O GLU A 37 13.091 2.769 7.404 1.00 0.00 O ATOM 528 CB GLU A 37 16.349 3.351 8.077 1.00 0.00 C ATOM 529 CG GLU A 37 17.475 2.826 8.951 1.00 0.00 C ATOM 530 CD GLU A 37 18.233 3.935 9.655 1.00 0.00 C ATOM 531 OE1 GLU A 37 18.671 4.881 8.968 1.00 0.00 O ATOM 532 OE2 GLU A 37 18.388 3.856 10.892 1.00 0.00 O ATOM 0 HA GLU A 37 15.108 1.619 8.356 1.00 0.00 H new ATOM 0 HB2 GLU A 37 16.777 3.904 7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.751 4.057 8.654 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.064 2.143 9.695 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.168 2.250 8.337 1.00 0.00 H new ATOM 539 N MET A 38 14.406 3.534 5.746 1.00 0.00 N ATOM 540 CA MET A 38 13.312 4.176 5.027 1.00 0.00 C ATOM 541 C MET A 38 12.167 3.196 4.791 1.00 0.00 C ATOM 542 O MET A 38 11.004 3.516 5.038 1.00 0.00 O ATOM 543 CB MET A 38 13.808 4.730 3.690 1.00 0.00 C ATOM 544 CG MET A 38 14.560 3.710 2.851 1.00 0.00 C ATOM 545 SD MET A 38 15.562 4.474 1.561 1.00 0.00 S ATOM 546 CE MET A 38 14.309 5.366 0.643 1.00 0.00 C ATOM 0 H MET A 38 15.319 3.635 5.303 1.00 0.00 H new ATOM 0 HA MET A 38 12.942 4.999 5.639 1.00 0.00 H new ATOM 0 HB2 MET A 38 12.955 5.099 3.120 1.00 0.00 H new ATOM 0 HB3 MET A 38 14.459 5.584 3.879 1.00 0.00 H new ATOM 0 HG2 MET A 38 15.202 3.115 3.500 1.00 0.00 H new ATOM 0 HG3 MET A 38 13.846 3.025 2.393 1.00 0.00 H new ATOM 0 HE1 MET A 38 14.742 5.759 -0.277 1.00 0.00 H new ATOM 0 HE2 MET A 38 13.488 4.692 0.398 1.00 0.00 H new ATOM 0 HE3 MET A 38 13.933 6.191 1.248 1.00 0.00 H new ATOM 556 N ARG A 39 12.504 2.003 4.313 1.00 0.00 N ATOM 557 CA ARG A 39 11.504 0.978 4.043 1.00 0.00 C ATOM 558 C ARG A 39 10.783 0.570 5.325 1.00 0.00 C ATOM 559 O ARG A 39 9.564 0.411 5.339 1.00 0.00 O ATOM 560 CB ARG A 39 12.158 -0.247 3.401 1.00 0.00 C ATOM 561 CG ARG A 39 13.037 -1.039 4.355 1.00 0.00 C ATOM 562 CD ARG A 39 13.775 -2.156 3.635 1.00 0.00 C ATOM 563 NE ARG A 39 14.500 -3.020 4.564 1.00 0.00 N ATOM 564 CZ ARG A 39 15.265 -4.035 4.178 1.00 0.00 C ATOM 565 NH1 ARG A 39 15.406 -4.311 2.889 1.00 0.00 N ATOM 566 NH2 ARG A 39 15.893 -4.775 5.083 1.00 0.00 N ATOM 0 H ARG A 39 13.462 1.723 4.105 1.00 0.00 H new ATOM 0 HA ARG A 39 10.772 1.394 3.351 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.379 -0.901 3.011 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.759 0.076 2.551 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.757 -0.371 4.827 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.424 -1.461 5.151 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.063 -2.753 3.065 1.00 0.00 H new ATOM 0 HD3 ARG A 39 14.475 -1.725 2.919 1.00 0.00 H new ATOM 0 HE ARG A 39 14.414 -2.834 5.563 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.926 -3.743 2.190 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.994 -5.091 2.596 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.788 -4.565 6.076 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.480 -5.554 4.786 1.00 0.00 H new ATOM 580 N ASN A 40 11.548 0.401 6.399 1.00 0.00 N ATOM 581 CA ASN A 40 10.983 0.010 7.685 1.00 0.00 C ATOM 582 C ASN A 40 9.767 0.865 8.028 1.00 0.00 C ATOM 583 O ASN A 40 8.714 0.346 8.397 1.00 0.00 O ATOM 584 CB ASN A 40 12.036 0.137 8.788 1.00 0.00 C ATOM 585 CG ASN A 40 11.801 -0.837 9.926 1.00 0.00 C ATOM 586 OD1 ASN A 40 10.841 -0.702 10.685 1.00 0.00 O ATOM 587 ND2 ASN A 40 12.680 -1.825 10.051 1.00 0.00 N ATOM 0 H ASN A 40 12.560 0.529 6.404 1.00 0.00 H new ATOM 0 HA ASN A 40 10.665 -1.030 7.612 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.025 -0.036 8.364 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.029 1.155 9.177 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.574 -2.510 10.799 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.461 -1.898 9.399 1.00 0.00 H new ATOM 594 N SER A 41 9.920 2.180 7.902 1.00 0.00 N ATOM 595 CA SER A 41 8.836 3.108 8.201 1.00 0.00 C ATOM 596 C SER A 41 7.723 2.995 7.163 1.00 0.00 C ATOM 597 O SER A 41 6.558 2.791 7.507 1.00 0.00 O ATOM 598 CB SER A 41 9.363 4.543 8.246 1.00 0.00 C ATOM 599 OG SER A 41 9.887 4.854 9.526 1.00 0.00 O ATOM 0 H SER A 41 10.784 2.626 7.595 1.00 0.00 H new ATOM 0 HA SER A 41 8.427 2.848 9.177 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.138 4.673 7.491 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.559 5.237 8.000 1.00 0.00 H new ATOM 0 HG SER A 41 10.219 5.776 9.528 1.00 0.00 H new ATOM 605 N ILE A 42 8.091 3.129 5.894 1.00 0.00 N ATOM 606 CA ILE A 42 7.124 3.042 4.806 1.00 0.00 C ATOM 607 C ILE A 42 6.171 1.869 5.010 1.00 0.00 C ATOM 608 O ILE A 42 4.983 1.959 4.698 1.00 0.00 O ATOM 609 CB ILE A 42 7.824 2.888 3.442 1.00 0.00 C ATOM 610 CG1 ILE A 42 8.759 4.072 3.188 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.794 2.771 2.329 1.00 0.00 C ATOM 612 CD1 ILE A 42 9.893 3.753 2.239 1.00 0.00 C ATOM 0 H ILE A 42 9.051 3.298 5.593 1.00 0.00 H new ATOM 0 HA ILE A 42 6.557 3.973 4.812 1.00 0.00 H new ATOM 0 HB ILE A 42 8.420 1.975 3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.180 4.902 2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.175 4.407 4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.304 2.663 1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.165 1.899 2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.174 3.668 2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.515 4.638 2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.496 2.944 2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.486 3.447 1.275 1.00 0.00 H new ATOM 624 N LEU A 43 6.698 0.770 5.538 1.00 0.00 N ATOM 625 CA LEU A 43 5.894 -0.421 5.787 1.00 0.00 C ATOM 626 C LEU A 43 4.983 -0.221 6.994 1.00 0.00 C ATOM 627 O LEU A 43 3.853 -0.707 7.018 1.00 0.00 O ATOM 628 CB LEU A 43 6.799 -1.634 6.013 1.00 0.00 C ATOM 629 CG LEU A 43 7.296 -2.344 4.753 1.00 0.00 C ATOM 630 CD1 LEU A 43 8.389 -3.343 5.100 1.00 0.00 C ATOM 631 CD2 LEU A 43 6.143 -3.038 4.042 1.00 0.00 C ATOM 0 H LEU A 43 7.679 0.679 5.802 1.00 0.00 H new ATOM 0 HA LEU A 43 5.271 -0.598 4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.666 -1.313 6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.258 -2.357 6.624 1.00 0.00 H new ATOM 0 HG LEU A 43 7.715 -1.597 4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.731 -3.839 4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.225 -2.821 5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.996 -4.087 5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.515 -3.538 3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.694 -3.774 4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.393 -2.300 3.759 1.00 0.00 H new ATOM 643 N ALA A 44 5.482 0.500 7.992 1.00 0.00 N ATOM 644 CA ALA A 44 4.712 0.769 9.200 1.00 0.00 C ATOM 645 C ALA A 44 3.563 1.730 8.916 1.00 0.00 C ATOM 646 O ALA A 44 2.469 1.580 9.459 1.00 0.00 O ATOM 647 CB ALA A 44 5.615 1.331 10.288 1.00 0.00 C ATOM 0 H ALA A 44 6.417 0.909 7.988 1.00 0.00 H new ATOM 0 HA ALA A 44 4.287 -0.173 9.547 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.026 1.527 11.184 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.399 0.609 10.519 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.068 2.260 9.941 1.00 0.00 H new ATOM 653 N GLN A 45 3.819 2.716 8.062 1.00 0.00 N ATOM 654 CA GLN A 45 2.805 3.702 7.708 1.00 0.00 C ATOM 655 C GLN A 45 1.700 3.069 6.868 1.00 0.00 C ATOM 656 O GLN A 45 0.532 3.444 6.976 1.00 0.00 O ATOM 657 CB GLN A 45 3.439 4.865 6.944 1.00 0.00 C ATOM 658 CG GLN A 45 4.217 4.431 5.711 1.00 0.00 C ATOM 659 CD GLN A 45 4.878 5.595 4.999 1.00 0.00 C ATOM 660 OE1 GLN A 45 5.122 6.644 5.595 1.00 0.00 O ATOM 661 NE2 GLN A 45 5.172 5.414 3.717 1.00 0.00 N ATOM 0 H GLN A 45 4.719 2.853 7.603 1.00 0.00 H new ATOM 0 HA GLN A 45 2.364 4.080 8.631 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.656 5.561 6.643 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.107 5.407 7.613 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.979 3.708 6.003 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.543 3.923 5.021 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.951 4.527 3.263 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.618 6.162 3.186 1.00 0.00 H new ATOM 670 N VAL A 46 2.077 2.106 6.032 1.00 0.00 N ATOM 671 CA VAL A 46 1.118 1.420 5.175 1.00 0.00 C ATOM 672 C VAL A 46 0.443 0.270 5.914 1.00 0.00 C ATOM 673 O VAL A 46 -0.601 -0.228 5.491 1.00 0.00 O ATOM 674 CB VAL A 46 1.793 0.873 3.903 1.00 0.00 C ATOM 675 CG1 VAL A 46 2.374 2.009 3.075 1.00 0.00 C ATOM 676 CG2 VAL A 46 2.870 -0.138 4.266 1.00 0.00 C ATOM 0 H VAL A 46 3.039 1.784 5.930 1.00 0.00 H new ATOM 0 HA VAL A 46 0.366 2.156 4.891 1.00 0.00 H new ATOM 0 HB VAL A 46 1.038 0.367 3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.847 1.603 2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.576 2.693 2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.116 2.547 3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.337 -0.515 3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.625 0.342 4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.421 -0.967 4.813 1.00 0.00 H new ATOM 686 N LEU A 47 1.046 -0.147 7.022 1.00 0.00 N ATOM 687 CA LEU A 47 0.504 -1.240 7.823 1.00 0.00 C ATOM 688 C LEU A 47 0.107 -0.751 9.212 1.00 0.00 C ATOM 689 O LEU A 47 0.927 -0.195 9.943 1.00 0.00 O ATOM 690 CB LEU A 47 1.528 -2.370 7.940 1.00 0.00 C ATOM 691 CG LEU A 47 1.752 -3.205 6.679 1.00 0.00 C ATOM 692 CD1 LEU A 47 2.941 -4.136 6.860 1.00 0.00 C ATOM 693 CD2 LEU A 47 0.500 -3.998 6.335 1.00 0.00 C ATOM 0 H LEU A 47 1.910 0.255 7.386 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.387 -1.618 7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.483 -1.939 8.240 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.213 -3.037 8.742 1.00 0.00 H new ATOM 0 HG LEU A 47 1.968 -2.528 5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.085 -4.722 5.953 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.837 -3.548 7.058 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.754 -4.806 7.699 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.678 -4.586 5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.253 -4.665 7.161 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.329 -3.312 6.162 1.00 0.00 H new ATOM 705 N ASP A 48 -1.154 -0.965 9.571 1.00 0.00 N ATOM 706 CA ASP A 48 -1.659 -0.550 10.875 1.00 0.00 C ATOM 707 C ASP A 48 -1.252 -1.545 11.957 1.00 0.00 C ATOM 708 O ASP A 48 -0.977 -2.710 11.670 1.00 0.00 O ATOM 709 CB ASP A 48 -3.181 -0.413 10.836 1.00 0.00 C ATOM 710 CG ASP A 48 -3.887 -1.744 11.007 1.00 0.00 C ATOM 711 OD1 ASP A 48 -3.449 -2.732 10.381 1.00 0.00 O ATOM 712 OD2 ASP A 48 -4.877 -1.798 11.767 1.00 0.00 O ATOM 0 H ASP A 48 -1.845 -1.423 8.977 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.221 0.419 11.115 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.502 0.269 11.624 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.478 0.033 9.887 1.00 0.00 H new ATOM 717 N GLN A 49 -1.216 -1.077 13.201 1.00 0.00 N ATOM 718 CA GLN A 49 -0.841 -1.927 14.325 1.00 0.00 C ATOM 719 C GLN A 49 -1.339 -3.353 14.119 1.00 0.00 C ATOM 720 O GLN A 49 -0.548 -4.295 14.064 1.00 0.00 O ATOM 721 CB GLN A 49 -1.405 -1.360 15.630 1.00 0.00 C ATOM 722 CG GLN A 49 -1.212 -2.279 16.825 1.00 0.00 C ATOM 723 CD GLN A 49 -1.908 -1.768 18.072 1.00 0.00 C ATOM 724 OE1 GLN A 49 -3.032 -2.167 18.378 1.00 0.00 O ATOM 725 NE2 GLN A 49 -1.241 -0.880 18.800 1.00 0.00 N ATOM 0 H GLN A 49 -1.442 -0.115 13.455 1.00 0.00 H new ATOM 0 HA GLN A 49 0.247 -1.947 14.386 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.927 -0.403 15.837 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.469 -1.163 15.501 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.593 -3.271 16.581 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.146 -2.388 17.027 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.311 -0.577 18.509 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.658 -0.501 19.650 1.00 0.00 H new ATOM 734 N SER A 50 -2.655 -3.506 14.007 1.00 0.00 N ATOM 735 CA SER A 50 -3.259 -4.818 13.812 1.00 0.00 C ATOM 736 C SER A 50 -2.451 -5.645 12.816 1.00 0.00 C ATOM 737 O SER A 50 -1.843 -6.652 13.177 1.00 0.00 O ATOM 738 CB SER A 50 -4.700 -4.672 13.320 1.00 0.00 C ATOM 739 OG SER A 50 -5.558 -4.260 14.370 1.00 0.00 O ATOM 0 H SER A 50 -3.323 -2.736 14.048 1.00 0.00 H new ATOM 0 HA SER A 50 -3.261 -5.336 14.771 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.739 -3.946 12.508 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.047 -5.622 12.914 1.00 0.00 H new ATOM 0 HG SER A 50 -6.473 -4.172 14.030 1.00 0.00 H new ATOM 745 N ALA A 51 -2.450 -5.211 11.560 1.00 0.00 N ATOM 746 CA ALA A 51 -1.716 -5.909 10.511 1.00 0.00 C ATOM 747 C ALA A 51 -0.280 -6.189 10.940 1.00 0.00 C ATOM 748 O ALA A 51 0.167 -7.336 10.932 1.00 0.00 O ATOM 749 CB ALA A 51 -1.737 -5.098 9.224 1.00 0.00 C ATOM 0 H ALA A 51 -2.949 -4.380 11.244 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.207 -6.866 10.332 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.185 -5.631 8.449 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.768 -4.954 8.901 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.272 -4.127 9.398 1.00 0.00 H new ATOM 755 N ARG A 52 0.438 -5.134 11.311 1.00 0.00 N ATOM 756 CA ARG A 52 1.825 -5.267 11.741 1.00 0.00 C ATOM 757 C ARG A 52 2.035 -6.572 12.505 1.00 0.00 C ATOM 758 O ARG A 52 2.827 -7.421 12.097 1.00 0.00 O ATOM 759 CB ARG A 52 2.225 -4.080 12.619 1.00 0.00 C ATOM 760 CG ARG A 52 2.170 -2.743 11.897 1.00 0.00 C ATOM 761 CD ARG A 52 3.258 -2.636 10.840 1.00 0.00 C ATOM 762 NE ARG A 52 4.562 -2.336 11.424 1.00 0.00 N ATOM 763 CZ ARG A 52 5.418 -3.267 11.829 1.00 0.00 C ATOM 764 NH1 ARG A 52 5.110 -4.551 11.712 1.00 0.00 N ATOM 765 NH2 ARG A 52 6.586 -2.915 12.350 1.00 0.00 N ATOM 0 H ARG A 52 0.082 -4.178 11.323 1.00 0.00 H new ATOM 0 HA ARG A 52 2.455 -5.281 10.852 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.566 -4.042 13.487 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.236 -4.240 12.993 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.193 -2.621 11.429 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.281 -1.934 12.619 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.317 -3.572 10.284 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.993 -1.857 10.125 1.00 0.00 H new ATOM 0 HE ARG A 52 4.830 -1.357 11.527 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.214 -4.826 11.310 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.769 -5.264 12.024 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.828 -1.928 12.440 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.242 -3.631 12.661 1.00 0.00 H new ATOM 779 N ALA A 53 1.319 -6.723 13.614 1.00 0.00 N ATOM 780 CA ALA A 53 1.426 -7.924 14.434 1.00 0.00 C ATOM 781 C ALA A 53 1.123 -9.175 13.616 1.00 0.00 C ATOM 782 O ALA A 53 1.781 -10.204 13.773 1.00 0.00 O ATOM 783 CB ALA A 53 0.489 -7.832 15.629 1.00 0.00 C ATOM 0 H ALA A 53 0.659 -6.029 13.965 1.00 0.00 H new ATOM 0 HA ALA A 53 2.452 -7.998 14.796 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.579 -8.735 16.232 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.754 -6.964 16.233 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.538 -7.731 15.279 1.00 0.00 H new ATOM 789 N ARG A 54 0.124 -9.080 12.745 1.00 0.00 N ATOM 790 CA ARG A 54 -0.266 -10.205 11.905 1.00 0.00 C ATOM 791 C ARG A 54 0.853 -10.574 10.935 1.00 0.00 C ATOM 792 O ARG A 54 1.048 -11.747 10.613 1.00 0.00 O ATOM 793 CB ARG A 54 -1.540 -9.870 11.126 1.00 0.00 C ATOM 794 CG ARG A 54 -2.405 -11.082 10.823 1.00 0.00 C ATOM 795 CD ARG A 54 -1.824 -11.913 9.690 1.00 0.00 C ATOM 796 NE ARG A 54 -2.790 -12.871 9.162 1.00 0.00 N ATOM 797 CZ ARG A 54 -2.448 -13.990 8.533 1.00 0.00 C ATOM 798 NH1 ARG A 54 -1.168 -14.289 8.356 1.00 0.00 N ATOM 799 NH2 ARG A 54 -3.386 -14.813 8.082 1.00 0.00 N ATOM 0 H ARG A 54 -0.430 -8.235 12.603 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.458 -11.060 12.553 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.126 -9.150 11.697 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.266 -9.386 10.188 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.496 -11.698 11.718 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.410 -10.755 10.557 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.494 -11.252 8.888 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.943 -12.446 10.047 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.783 -12.670 9.283 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.444 -13.659 8.703 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.907 -15.149 7.873 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.371 -14.587 8.218 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.122 -15.672 7.599 1.00 0.00 H new ATOM 813 N LEU A 55 1.585 -9.566 10.474 1.00 0.00 N ATOM 814 CA LEU A 55 2.685 -9.784 9.541 1.00 0.00 C ATOM 815 C LEU A 55 3.829 -10.537 10.213 1.00 0.00 C ATOM 816 O LEU A 55 4.218 -11.618 9.772 1.00 0.00 O ATOM 817 CB LEU A 55 3.190 -8.447 8.997 1.00 0.00 C ATOM 818 CG LEU A 55 4.525 -8.487 8.251 1.00 0.00 C ATOM 819 CD1 LEU A 55 4.336 -9.043 6.848 1.00 0.00 C ATOM 820 CD2 LEU A 55 5.147 -7.099 8.197 1.00 0.00 C ATOM 0 H LEU A 55 1.437 -8.590 10.731 1.00 0.00 H new ATOM 0 HA LEU A 55 2.313 -10.389 8.714 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.433 -8.042 8.325 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.283 -7.750 9.830 1.00 0.00 H new ATOM 0 HG LEU A 55 5.203 -9.147 8.793 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.296 -9.064 6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.935 -10.055 6.909 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.642 -8.410 6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.096 -7.146 7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.472 -6.418 7.679 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.319 -6.738 9.211 1.00 0.00 H new ATOM 832 N SER A 56 4.362 -9.959 11.285 1.00 0.00 N ATOM 833 CA SER A 56 5.462 -10.574 12.018 1.00 0.00 C ATOM 834 C SER A 56 5.119 -12.009 12.408 1.00 0.00 C ATOM 835 O SER A 56 5.911 -12.927 12.197 1.00 0.00 O ATOM 836 CB SER A 56 5.788 -9.758 13.270 1.00 0.00 C ATOM 837 OG SER A 56 7.026 -10.159 13.831 1.00 0.00 O ATOM 0 H SER A 56 4.050 -9.065 11.665 1.00 0.00 H new ATOM 0 HA SER A 56 6.336 -10.591 11.366 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.826 -8.698 13.018 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.994 -9.883 14.006 1.00 0.00 H new ATOM 0 HG SER A 56 7.213 -9.622 14.629 1.00 0.00 H new ATOM 843 N ASN A 57 3.933 -12.194 12.978 1.00 0.00 N ATOM 844 CA ASN A 57 3.484 -13.516 13.398 1.00 0.00 C ATOM 845 C ASN A 57 3.795 -14.561 12.330 1.00 0.00 C ATOM 846 O ASN A 57 4.306 -15.641 12.631 1.00 0.00 O ATOM 847 CB ASN A 57 1.983 -13.500 13.690 1.00 0.00 C ATOM 848 CG ASN A 57 1.577 -14.561 14.694 1.00 0.00 C ATOM 849 OD1 ASN A 57 2.356 -15.459 15.014 1.00 0.00 O ATOM 850 ND2 ASN A 57 0.352 -14.461 15.197 1.00 0.00 N ATOM 0 H ASN A 57 3.265 -11.445 13.160 1.00 0.00 H new ATOM 0 HA ASN A 57 4.021 -13.782 14.309 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.700 -12.518 14.069 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.434 -13.654 12.761 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.023 -15.146 15.878 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.260 -13.700 14.903 1.00 0.00 H new ATOM 857 N LEU A 58 3.484 -14.232 11.081 1.00 0.00 N ATOM 858 CA LEU A 58 3.730 -15.141 9.967 1.00 0.00 C ATOM 859 C LEU A 58 5.192 -15.573 9.929 1.00 0.00 C ATOM 860 O LEU A 58 5.496 -16.761 9.824 1.00 0.00 O ATOM 861 CB LEU A 58 3.349 -14.473 8.644 1.00 0.00 C ATOM 862 CG LEU A 58 2.986 -15.416 7.496 1.00 0.00 C ATOM 863 CD1 LEU A 58 1.732 -16.208 7.832 1.00 0.00 C ATOM 864 CD2 LEU A 58 2.796 -14.634 6.205 1.00 0.00 C ATOM 0 H LEU A 58 3.061 -13.343 10.814 1.00 0.00 H new ATOM 0 HA LEU A 58 3.112 -16.027 10.111 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.502 -13.811 8.825 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.181 -13.846 8.324 1.00 0.00 H new ATOM 0 HG LEU A 58 3.807 -16.119 7.354 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.489 -16.873 7.004 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.904 -16.797 8.732 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.902 -15.521 8.001 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.538 -15.320 5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.993 -13.908 6.334 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.720 -14.113 5.956 1.00 0.00 H new ATOM 876 N ALA A 59 6.093 -14.601 10.019 1.00 0.00 N ATOM 877 CA ALA A 59 7.524 -14.881 9.999 1.00 0.00 C ATOM 878 C ALA A 59 7.835 -16.199 10.699 1.00 0.00 C ATOM 879 O ALA A 59 8.732 -16.936 10.288 1.00 0.00 O ATOM 880 CB ALA A 59 8.294 -13.741 10.650 1.00 0.00 C ATOM 0 H ALA A 59 5.858 -13.612 10.107 1.00 0.00 H new ATOM 0 HA ALA A 59 7.837 -14.969 8.959 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.361 -13.963 10.628 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.105 -12.816 10.105 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.969 -13.626 11.684 1.00 0.00 H new ATOM 886 N LEU A 60 7.089 -16.491 11.760 1.00 0.00 N ATOM 887 CA LEU A 60 7.286 -17.721 12.518 1.00 0.00 C ATOM 888 C LEU A 60 6.915 -18.942 11.682 1.00 0.00 C ATOM 889 O LEU A 60 7.729 -19.844 11.486 1.00 0.00 O ATOM 890 CB LEU A 60 6.449 -17.693 13.799 1.00 0.00 C ATOM 891 CG LEU A 60 6.679 -16.498 14.724 1.00 0.00 C ATOM 892 CD1 LEU A 60 5.469 -16.274 15.617 1.00 0.00 C ATOM 893 CD2 LEU A 60 7.932 -16.706 15.563 1.00 0.00 C ATOM 0 H LEU A 60 6.343 -15.892 12.114 1.00 0.00 H new ATOM 0 HA LEU A 60 8.341 -17.791 12.781 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.395 -17.715 13.521 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.650 -18.606 14.360 1.00 0.00 H new ATOM 0 HG LEU A 60 6.821 -15.609 14.109 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.651 -15.419 16.269 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.592 -16.079 15.000 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.295 -17.163 16.224 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.080 -15.845 16.215 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.819 -17.605 16.168 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.795 -16.816 14.907 1.00 0.00 H new ATOM 905 N VAL A 61 5.680 -18.962 11.189 1.00 0.00 N ATOM 906 CA VAL A 61 5.202 -20.070 10.371 1.00 0.00 C ATOM 907 C VAL A 61 6.033 -20.214 9.101 1.00 0.00 C ATOM 908 O VAL A 61 6.717 -21.219 8.904 1.00 0.00 O ATOM 909 CB VAL A 61 3.723 -19.885 9.984 1.00 0.00 C ATOM 910 CG1 VAL A 61 3.189 -21.133 9.299 1.00 0.00 C ATOM 911 CG2 VAL A 61 2.891 -19.543 11.211 1.00 0.00 C ATOM 0 H VAL A 61 4.993 -18.224 11.342 1.00 0.00 H new ATOM 0 HA VAL A 61 5.303 -20.973 10.973 1.00 0.00 H new ATOM 0 HB VAL A 61 3.651 -19.055 9.281 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.143 -20.983 9.033 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.768 -21.329 8.397 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.273 -21.984 9.975 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.848 -19.416 10.920 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.968 -20.350 11.939 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.260 -18.618 11.654 1.00 0.00 H new ATOM 921 N LYS A 62 5.971 -19.203 8.242 1.00 0.00 N ATOM 922 CA LYS A 62 6.719 -19.214 6.990 1.00 0.00 C ATOM 923 C LYS A 62 7.267 -17.827 6.671 1.00 0.00 C ATOM 924 O LYS A 62 6.521 -16.880 6.424 1.00 0.00 O ATOM 925 CB LYS A 62 5.828 -19.698 5.844 1.00 0.00 C ATOM 926 CG LYS A 62 4.388 -19.227 5.952 1.00 0.00 C ATOM 927 CD LYS A 62 3.500 -19.909 4.925 1.00 0.00 C ATOM 928 CE LYS A 62 2.048 -19.940 5.378 1.00 0.00 C ATOM 929 NZ LYS A 62 1.110 -20.030 4.225 1.00 0.00 N ATOM 0 H LYS A 62 5.410 -18.364 8.390 1.00 0.00 H new ATOM 0 HA LYS A 62 7.559 -19.900 7.104 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.245 -19.350 4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.844 -20.788 5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.011 -19.433 6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.346 -18.147 5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.574 -19.384 3.972 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.852 -20.927 4.757 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.892 -20.791 6.040 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.828 -19.042 5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.131 -20.049 4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.241 -19.205 3.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.302 -20.900 3.688 1.00 0.00 H new ATOM 943 N PRO A 63 8.603 -17.702 6.676 1.00 0.00 N ATOM 944 CA PRO A 63 9.280 -16.435 6.387 1.00 0.00 C ATOM 945 C PRO A 63 9.149 -16.028 4.923 1.00 0.00 C ATOM 946 O PRO A 63 8.890 -14.865 4.614 1.00 0.00 O ATOM 947 CB PRO A 63 10.743 -16.728 6.731 1.00 0.00 C ATOM 948 CG PRO A 63 10.882 -18.202 6.570 1.00 0.00 C ATOM 949 CD PRO A 63 9.554 -18.789 6.963 1.00 0.00 C ATOM 0 HA PRO A 63 8.852 -15.607 6.952 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.421 -16.192 6.067 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.981 -16.417 7.748 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.134 -18.460 5.541 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.682 -18.590 7.201 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.325 -19.686 6.388 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.535 -19.072 8.015 1.00 0.00 H new ATOM 957 N GLU A 64 9.329 -16.993 4.027 1.00 0.00 N ATOM 958 CA GLU A 64 9.231 -16.733 2.595 1.00 0.00 C ATOM 959 C GLU A 64 8.169 -15.676 2.306 1.00 0.00 C ATOM 960 O GLU A 64 8.443 -14.663 1.662 1.00 0.00 O ATOM 961 CB GLU A 64 8.901 -18.023 1.842 1.00 0.00 C ATOM 962 CG GLU A 64 9.349 -18.012 0.390 1.00 0.00 C ATOM 963 CD GLU A 64 9.621 -19.403 -0.147 1.00 0.00 C ATOM 964 OE1 GLU A 64 10.597 -20.035 0.309 1.00 0.00 O ATOM 965 OE2 GLU A 64 8.858 -19.861 -1.023 1.00 0.00 O ATOM 0 H GLU A 64 9.543 -17.961 4.267 1.00 0.00 H new ATOM 0 HA GLU A 64 10.195 -16.358 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.373 -18.863 2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.825 -18.191 1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.581 -17.535 -0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.251 -17.408 0.297 1.00 0.00 H new ATOM 972 N LYS A 65 6.954 -15.919 2.787 1.00 0.00 N ATOM 973 CA LYS A 65 5.850 -14.990 2.582 1.00 0.00 C ATOM 974 C LYS A 65 6.173 -13.621 3.173 1.00 0.00 C ATOM 975 O LYS A 65 6.280 -12.630 2.450 1.00 0.00 O ATOM 976 CB LYS A 65 4.569 -15.540 3.213 1.00 0.00 C ATOM 977 CG LYS A 65 4.156 -16.896 2.667 1.00 0.00 C ATOM 978 CD LYS A 65 3.223 -16.756 1.476 1.00 0.00 C ATOM 979 CE LYS A 65 3.993 -16.739 0.164 1.00 0.00 C ATOM 980 NZ LYS A 65 4.159 -18.108 -0.400 1.00 0.00 N ATOM 0 H LYS A 65 6.710 -16.752 3.322 1.00 0.00 H new ATOM 0 HA LYS A 65 5.699 -14.876 1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.710 -15.619 4.291 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.759 -14.829 3.049 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.043 -17.456 2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.663 -17.470 3.451 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.511 -17.582 1.471 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.644 -15.837 1.572 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.469 -16.111 -0.556 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.974 -16.291 0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.689 -18.054 -1.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.681 -18.701 0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.223 -18.526 -0.577 1.00 0.00 H new ATOM 994 N THR A 66 6.329 -13.573 4.492 1.00 0.00 N ATOM 995 CA THR A 66 6.640 -12.327 5.180 1.00 0.00 C ATOM 996 C THR A 66 7.561 -11.450 4.340 1.00 0.00 C ATOM 997 O THR A 66 7.363 -10.239 4.242 1.00 0.00 O ATOM 998 CB THR A 66 7.305 -12.590 6.545 1.00 0.00 C ATOM 999 OG1 THR A 66 6.843 -13.833 7.084 1.00 0.00 O ATOM 1000 CG2 THR A 66 7.000 -11.463 7.521 1.00 0.00 C ATOM 0 H THR A 66 6.245 -14.384 5.105 1.00 0.00 H new ATOM 0 HA THR A 66 5.694 -11.809 5.338 1.00 0.00 H new ATOM 0 HB THR A 66 8.384 -12.638 6.396 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.868 -13.886 6.996 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.480 -11.670 8.478 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.379 -10.523 7.121 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.922 -11.388 7.664 1.00 0.00 H new ATOM 1008 N LYS A 67 8.568 -12.069 3.733 1.00 0.00 N ATOM 1009 CA LYS A 67 9.519 -11.345 2.897 1.00 0.00 C ATOM 1010 C LYS A 67 8.826 -10.743 1.679 1.00 0.00 C ATOM 1011 O LYS A 67 8.844 -9.529 1.480 1.00 0.00 O ATOM 1012 CB LYS A 67 10.646 -12.277 2.447 1.00 0.00 C ATOM 1013 CG LYS A 67 11.790 -12.373 3.441 1.00 0.00 C ATOM 1014 CD LYS A 67 11.538 -13.453 4.480 1.00 0.00 C ATOM 1015 CE LYS A 67 12.492 -13.328 5.658 1.00 0.00 C ATOM 1016 NZ LYS A 67 13.804 -13.975 5.380 1.00 0.00 N ATOM 0 H LYS A 67 8.747 -13.071 3.804 1.00 0.00 H new ATOM 0 HA LYS A 67 9.941 -10.534 3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.237 -13.273 2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.035 -11.927 1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.717 -12.587 2.910 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.922 -11.412 3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.510 -13.385 4.835 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.652 -14.435 4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.648 -12.274 5.888 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.042 -13.784 6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.426 -13.868 6.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.658 -14.986 5.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.246 -13.523 4.554 1.00 0.00 H new ATOM 1030 N ALA A 68 8.214 -11.600 0.869 1.00 0.00 N ATOM 1031 CA ALA A 68 7.511 -11.152 -0.327 1.00 0.00 C ATOM 1032 C ALA A 68 6.593 -9.975 -0.016 1.00 0.00 C ATOM 1033 O ALA A 68 6.621 -8.954 -0.704 1.00 0.00 O ATOM 1034 CB ALA A 68 6.716 -12.299 -0.933 1.00 0.00 C ATOM 0 H ALA A 68 8.191 -12.609 1.019 1.00 0.00 H new ATOM 0 HA ALA A 68 8.254 -10.817 -1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.196 -11.950 -1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.394 -13.109 -1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.988 -12.660 -0.207 1.00 0.00 H new ATOM 1040 N VAL A 69 5.778 -10.125 1.024 1.00 0.00 N ATOM 1041 CA VAL A 69 4.852 -9.074 1.426 1.00 0.00 C ATOM 1042 C VAL A 69 5.580 -7.753 1.644 1.00 0.00 C ATOM 1043 O VAL A 69 5.328 -6.772 0.945 1.00 0.00 O ATOM 1044 CB VAL A 69 4.100 -9.452 2.716 1.00 0.00 C ATOM 1045 CG1 VAL A 69 3.119 -8.356 3.103 1.00 0.00 C ATOM 1046 CG2 VAL A 69 3.385 -10.784 2.545 1.00 0.00 C ATOM 0 H VAL A 69 5.741 -10.964 1.603 1.00 0.00 H new ATOM 0 HA VAL A 69 4.133 -8.959 0.615 1.00 0.00 H new ATOM 0 HB VAL A 69 4.826 -9.557 3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.597 -8.641 4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.661 -7.425 3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.395 -8.216 2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.859 -11.035 3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.669 -10.710 1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.114 -11.562 2.320 1.00 0.00 H new ATOM 1056 N GLU A 70 6.485 -7.735 2.617 1.00 0.00 N ATOM 1057 CA GLU A 70 7.250 -6.533 2.927 1.00 0.00 C ATOM 1058 C GLU A 70 7.656 -5.803 1.650 1.00 0.00 C ATOM 1059 O GLU A 70 7.651 -4.574 1.597 1.00 0.00 O ATOM 1060 CB GLU A 70 8.494 -6.890 3.742 1.00 0.00 C ATOM 1061 CG GLU A 70 8.180 -7.523 5.087 1.00 0.00 C ATOM 1062 CD GLU A 70 7.946 -6.494 6.176 1.00 0.00 C ATOM 1063 OE1 GLU A 70 6.830 -5.937 6.236 1.00 0.00 O ATOM 1064 OE2 GLU A 70 8.879 -6.248 6.969 1.00 0.00 O ATOM 0 H GLU A 70 6.706 -8.539 3.204 1.00 0.00 H new ATOM 0 HA GLU A 70 6.616 -5.871 3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.113 -7.576 3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.083 -5.987 3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.295 -8.152 4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.004 -8.174 5.379 1.00 0.00 H new ATOM 1071 N ASN A 71 8.009 -6.570 0.624 1.00 0.00 N ATOM 1072 CA ASN A 71 8.420 -5.997 -0.653 1.00 0.00 C ATOM 1073 C ASN A 71 7.207 -5.661 -1.514 1.00 0.00 C ATOM 1074 O ASN A 71 7.236 -4.717 -2.304 1.00 0.00 O ATOM 1075 CB ASN A 71 9.337 -6.968 -1.400 1.00 0.00 C ATOM 1076 CG ASN A 71 10.800 -6.759 -1.062 1.00 0.00 C ATOM 1077 OD1 ASN A 71 11.492 -5.972 -1.708 1.00 0.00 O ATOM 1078 ND2 ASN A 71 11.279 -7.464 -0.043 1.00 0.00 N ATOM 0 H ASN A 71 8.019 -7.590 0.652 1.00 0.00 H new ATOM 0 HA ASN A 71 8.966 -5.075 -0.450 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.053 -7.992 -1.156 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.194 -6.845 -2.474 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.256 -7.364 0.232 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.669 -8.105 0.465 1.00 0.00 H new ATOM 1085 N TYR A 72 6.142 -6.439 -1.355 1.00 0.00 N ATOM 1086 CA TYR A 72 4.918 -6.225 -2.118 1.00 0.00 C ATOM 1087 C TYR A 72 4.245 -4.917 -1.714 1.00 0.00 C ATOM 1088 O TYR A 72 3.710 -4.194 -2.555 1.00 0.00 O ATOM 1089 CB TYR A 72 3.953 -7.394 -1.913 1.00 0.00 C ATOM 1090 CG TYR A 72 2.703 -7.303 -2.759 1.00 0.00 C ATOM 1091 CD1 TYR A 72 1.721 -6.359 -2.483 1.00 0.00 C ATOM 1092 CD2 TYR A 72 2.503 -8.161 -3.833 1.00 0.00 C ATOM 1093 CE1 TYR A 72 0.577 -6.273 -3.253 1.00 0.00 C ATOM 1094 CE2 TYR A 72 1.363 -8.081 -4.609 1.00 0.00 C ATOM 1095 CZ TYR A 72 0.403 -7.135 -4.315 1.00 0.00 C ATOM 1096 OH TYR A 72 -0.735 -7.053 -5.084 1.00 0.00 O ATOM 0 H TYR A 72 6.102 -7.224 -0.705 1.00 0.00 H new ATOM 0 HA TYR A 72 5.184 -6.164 -3.173 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.470 -8.326 -2.143 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.668 -7.439 -0.862 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.854 -5.681 -1.653 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.252 -8.904 -4.065 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.177 -5.534 -3.024 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.224 -8.755 -5.441 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.603 -7.552 -5.917 1.00 0.00 H new ATOM 1106 N LEU A 73 4.275 -4.620 -0.419 1.00 0.00 N ATOM 1107 CA LEU A 73 3.668 -3.399 0.100 1.00 0.00 C ATOM 1108 C LEU A 73 4.436 -2.168 -0.371 1.00 0.00 C ATOM 1109 O LEU A 73 3.879 -1.295 -1.038 1.00 0.00 O ATOM 1110 CB LEU A 73 3.628 -3.436 1.628 1.00 0.00 C ATOM 1111 CG LEU A 73 2.519 -4.287 2.250 1.00 0.00 C ATOM 1112 CD1 LEU A 73 2.740 -4.439 3.747 1.00 0.00 C ATOM 1113 CD2 LEU A 73 1.156 -3.673 1.970 1.00 0.00 C ATOM 0 H LEU A 73 4.713 -5.208 0.290 1.00 0.00 H new ATOM 0 HA LEU A 73 2.649 -3.337 -0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.588 -3.806 1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.523 -2.415 1.994 1.00 0.00 H new ATOM 0 HG LEU A 73 2.549 -5.278 1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.942 -5.047 4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.700 -4.923 3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.737 -3.456 4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.379 -4.291 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.114 -2.671 2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.997 -3.616 0.893 1.00 0.00 H new ATOM 1125 N ILE A 74 5.716 -2.105 -0.020 1.00 0.00 N ATOM 1126 CA ILE A 74 6.560 -0.982 -0.409 1.00 0.00 C ATOM 1127 C ILE A 74 6.213 -0.494 -1.811 1.00 0.00 C ATOM 1128 O ILE A 74 5.804 0.652 -1.996 1.00 0.00 O ATOM 1129 CB ILE A 74 8.053 -1.358 -0.362 1.00 0.00 C ATOM 1130 CG1 ILE A 74 8.527 -1.473 1.088 1.00 0.00 C ATOM 1131 CG2 ILE A 74 8.882 -0.328 -1.116 1.00 0.00 C ATOM 1132 CD1 ILE A 74 9.836 -2.217 1.238 1.00 0.00 C ATOM 0 H ILE A 74 6.191 -2.818 0.533 1.00 0.00 H new ATOM 0 HA ILE A 74 6.373 -0.182 0.308 1.00 0.00 H new ATOM 0 HB ILE A 74 8.184 -2.326 -0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 74 8.637 -0.473 1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.760 -1.981 1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.935 -0.607 -1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.558 -0.291 -2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.748 0.652 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.111 -2.260 2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.726 -3.230 0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.616 -1.698 0.680 1.00 0.00 H new ATOM 1144 N GLN A 75 6.379 -1.372 -2.795 1.00 0.00 N ATOM 1145 CA GLN A 75 6.082 -1.030 -4.181 1.00 0.00 C ATOM 1146 C GLN A 75 4.785 -0.234 -4.280 1.00 0.00 C ATOM 1147 O GLN A 75 4.758 0.859 -4.844 1.00 0.00 O ATOM 1148 CB GLN A 75 5.983 -2.298 -5.031 1.00 0.00 C ATOM 1149 CG GLN A 75 7.250 -3.137 -5.023 1.00 0.00 C ATOM 1150 CD GLN A 75 8.219 -2.742 -6.120 1.00 0.00 C ATOM 1151 OE1 GLN A 75 8.387 -3.461 -7.105 1.00 0.00 O ATOM 1152 NE2 GLN A 75 8.864 -1.593 -5.955 1.00 0.00 N ATOM 0 H GLN A 75 6.717 -2.325 -2.658 1.00 0.00 H new ATOM 0 HA GLN A 75 6.896 -0.411 -4.558 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.153 -2.905 -4.668 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.748 -2.019 -6.058 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.742 -3.036 -4.056 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.986 -4.188 -5.138 1.00 0.00 H new ATOM 0 HE21 GLN A 75 8.694 -1.028 -5.123 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.529 -1.276 -6.660 1.00 0.00 H new ATOM 1161 N MET A 76 3.712 -0.791 -3.729 1.00 0.00 N ATOM 1162 CA MET A 76 2.411 -0.132 -3.755 1.00 0.00 C ATOM 1163 C MET A 76 2.505 1.279 -3.182 1.00 0.00 C ATOM 1164 O MET A 76 1.822 2.192 -3.642 1.00 0.00 O ATOM 1165 CB MET A 76 1.386 -0.949 -2.966 1.00 0.00 C ATOM 1166 CG MET A 76 0.983 -2.244 -3.652 1.00 0.00 C ATOM 1167 SD MET A 76 -0.594 -2.884 -3.056 1.00 0.00 S ATOM 1168 CE MET A 76 -0.270 -3.000 -1.298 1.00 0.00 C ATOM 0 H MET A 76 3.717 -1.696 -3.259 1.00 0.00 H new ATOM 0 HA MET A 76 2.087 -0.062 -4.793 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.797 -1.181 -1.983 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.496 -0.341 -2.804 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.920 -2.077 -4.727 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.759 -2.993 -3.491 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.133 -2.631 -0.744 1.00 0.00 H new ATOM 0 HE2 MET A 76 -0.085 -4.040 -1.030 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.605 -2.400 -1.049 1.00 0.00 H new ATOM 1178 N ALA A 77 3.355 1.448 -2.174 1.00 0.00 N ATOM 1179 CA ALA A 77 3.539 2.747 -1.540 1.00 0.00 C ATOM 1180 C ALA A 77 4.227 3.727 -2.484 1.00 0.00 C ATOM 1181 O ALA A 77 3.697 4.799 -2.776 1.00 0.00 O ATOM 1182 CB ALA A 77 4.340 2.598 -0.255 1.00 0.00 C ATOM 0 H ALA A 77 3.927 0.701 -1.779 1.00 0.00 H new ATOM 0 HA ALA A 77 2.555 3.148 -1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.470 3.576 0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.808 1.939 0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.317 2.172 -0.483 1.00 0.00 H new ATOM 1188 N ARG A 78 5.411 3.352 -2.958 1.00 0.00 N ATOM 1189 CA ARG A 78 6.173 4.198 -3.868 1.00 0.00 C ATOM 1190 C ARG A 78 5.264 4.809 -4.931 1.00 0.00 C ATOM 1191 O ARG A 78 5.177 6.030 -5.061 1.00 0.00 O ATOM 1192 CB ARG A 78 7.288 3.392 -4.536 1.00 0.00 C ATOM 1193 CG ARG A 78 8.382 2.954 -3.577 1.00 0.00 C ATOM 1194 CD ARG A 78 9.357 1.996 -4.244 1.00 0.00 C ATOM 1195 NE ARG A 78 10.405 2.704 -4.976 1.00 0.00 N ATOM 1196 CZ ARG A 78 10.261 3.147 -6.219 1.00 0.00 C ATOM 1197 NH1 ARG A 78 9.119 2.957 -6.866 1.00 0.00 N ATOM 1198 NH2 ARG A 78 11.260 3.781 -6.819 1.00 0.00 N ATOM 0 H ARG A 78 5.863 2.467 -2.727 1.00 0.00 H new ATOM 0 HA ARG A 78 6.618 5.006 -3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.855 2.510 -5.007 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.732 3.992 -5.331 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.921 3.829 -3.214 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.934 2.472 -2.708 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.812 1.356 -3.488 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.814 1.344 -4.928 1.00 0.00 H new ATOM 0 HE ARG A 78 11.296 2.867 -4.506 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.349 2.469 -6.409 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.011 3.298 -7.821 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.140 3.929 -6.325 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.148 4.121 -7.774 1.00 0.00 H new ATOM 1212 N TYR A 79 4.591 3.951 -5.690 1.00 0.00 N ATOM 1213 CA TYR A 79 3.692 4.406 -6.744 1.00 0.00 C ATOM 1214 C TYR A 79 2.561 5.252 -6.168 1.00 0.00 C ATOM 1215 O TYR A 79 2.026 6.133 -6.839 1.00 0.00 O ATOM 1216 CB TYR A 79 3.114 3.209 -7.501 1.00 0.00 C ATOM 1217 CG TYR A 79 4.092 2.570 -8.462 1.00 0.00 C ATOM 1218 CD1 TYR A 79 4.938 1.550 -8.046 1.00 0.00 C ATOM 1219 CD2 TYR A 79 4.168 2.987 -9.785 1.00 0.00 C ATOM 1220 CE1 TYR A 79 5.833 0.964 -8.920 1.00 0.00 C ATOM 1221 CE2 TYR A 79 5.060 2.406 -10.666 1.00 0.00 C ATOM 1222 CZ TYR A 79 5.890 1.395 -10.229 1.00 0.00 C ATOM 1223 OH TYR A 79 6.780 0.813 -11.103 1.00 0.00 O ATOM 0 H TYR A 79 4.651 2.937 -5.595 1.00 0.00 H new ATOM 0 HA TYR A 79 4.266 5.023 -7.436 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.783 2.460 -6.781 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.232 3.531 -8.054 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.895 1.209 -7.022 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.519 3.778 -10.131 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.485 0.173 -8.580 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.107 2.742 -11.691 1.00 0.00 H new ATOM 0 HH TYR A 79 6.692 1.230 -11.985 1.00 0.00 H new ATOM 1233 N GLY A 80 2.203 4.977 -4.917 1.00 0.00 N ATOM 1234 CA GLY A 80 1.138 5.720 -4.270 1.00 0.00 C ATOM 1235 C GLY A 80 -0.235 5.158 -4.582 1.00 0.00 C ATOM 1236 O GLY A 80 -1.218 5.897 -4.629 1.00 0.00 O ATOM 0 H GLY A 80 2.632 4.253 -4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.295 5.709 -3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.181 6.762 -4.588 1.00 0.00 H new ATOM 1240 N GLN A 81 -0.301 3.848 -4.796 1.00 0.00 N ATOM 1241 CA GLN A 81 -1.564 3.189 -5.107 1.00 0.00 C ATOM 1242 C GLN A 81 -2.338 2.866 -3.834 1.00 0.00 C ATOM 1243 O GLN A 81 -3.537 2.586 -3.877 1.00 0.00 O ATOM 1244 CB GLN A 81 -1.311 1.907 -5.903 1.00 0.00 C ATOM 1245 CG GLN A 81 -0.432 0.903 -5.176 1.00 0.00 C ATOM 1246 CD GLN A 81 -0.737 -0.530 -5.566 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -1.633 -1.162 -5.006 1.00 0.00 O ATOM 1248 NE2 GLN A 81 0.010 -1.052 -6.533 1.00 0.00 N ATOM 0 H GLN A 81 0.504 3.223 -4.760 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.162 3.872 -5.710 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.268 1.439 -6.135 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -0.844 2.165 -6.853 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.614 1.119 -5.391 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.567 1.019 -4.101 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.742 -0.492 -6.970 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.149 -2.012 -6.838 1.00 0.00 H new ATOM 1257 N LEU A 82 -1.647 2.907 -2.700 1.00 0.00 N ATOM 1258 CA LEU A 82 -2.270 2.619 -1.413 1.00 0.00 C ATOM 1259 C LEU A 82 -3.297 3.687 -1.054 1.00 0.00 C ATOM 1260 O LEU A 82 -3.066 4.879 -1.259 1.00 0.00 O ATOM 1261 CB LEU A 82 -1.205 2.531 -0.318 1.00 0.00 C ATOM 1262 CG LEU A 82 -0.320 1.284 -0.341 1.00 0.00 C ATOM 1263 CD1 LEU A 82 0.976 1.535 0.414 1.00 0.00 C ATOM 1264 CD2 LEU A 82 -1.061 0.093 0.248 1.00 0.00 C ATOM 0 H LEU A 82 -0.655 3.137 -2.646 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.783 1.660 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.563 3.409 -0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.703 2.581 0.650 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.074 1.056 -1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.593 0.637 0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.515 2.359 -0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.750 1.789 1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.416 -0.785 0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.338 0.311 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.961 -0.101 -0.336 1.00 0.00 H new ATOM 1276 N SER A 83 -4.432 3.253 -0.515 1.00 0.00 N ATOM 1277 CA SER A 83 -5.496 4.172 -0.129 1.00 0.00 C ATOM 1278 C SER A 83 -5.302 4.655 1.305 1.00 0.00 C ATOM 1279 O SER A 83 -5.237 5.857 1.562 1.00 0.00 O ATOM 1280 CB SER A 83 -6.860 3.494 -0.270 1.00 0.00 C ATOM 1281 OG SER A 83 -7.301 3.509 -1.617 1.00 0.00 O ATOM 0 H SER A 83 -4.638 2.270 -0.336 1.00 0.00 H new ATOM 0 HA SER A 83 -5.456 5.035 -0.794 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.796 2.465 0.083 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.589 4.003 0.360 1.00 0.00 H new ATOM 0 HG SER A 83 -8.174 3.068 -1.680 1.00 0.00 H new ATOM 1287 N GLU A 84 -5.210 3.710 2.235 1.00 0.00 N ATOM 1288 CA GLU A 84 -5.024 4.039 3.643 1.00 0.00 C ATOM 1289 C GLU A 84 -4.414 2.864 4.401 1.00 0.00 C ATOM 1290 O GLU A 84 -4.296 1.760 3.868 1.00 0.00 O ATOM 1291 CB GLU A 84 -6.359 4.432 4.278 1.00 0.00 C ATOM 1292 CG GLU A 84 -7.383 3.309 4.285 1.00 0.00 C ATOM 1293 CD GLU A 84 -8.406 3.459 5.396 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -8.000 3.490 6.576 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -9.612 3.546 5.083 1.00 0.00 O ATOM 0 H GLU A 84 -5.261 2.710 2.039 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.338 4.884 3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.182 4.758 5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.771 5.285 3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.897 3.285 3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.869 2.354 4.396 1.00 0.00 H new ATOM 1302 N LYS A 85 -4.026 3.109 5.648 1.00 0.00 N ATOM 1303 CA LYS A 85 -3.428 2.073 6.482 1.00 0.00 C ATOM 1304 C LYS A 85 -4.141 0.739 6.286 1.00 0.00 C ATOM 1305 O LYS A 85 -5.349 0.632 6.496 1.00 0.00 O ATOM 1306 CB LYS A 85 -3.482 2.481 7.956 1.00 0.00 C ATOM 1307 CG LYS A 85 -2.507 3.587 8.317 1.00 0.00 C ATOM 1308 CD LYS A 85 -2.343 3.717 9.822 1.00 0.00 C ATOM 1309 CE LYS A 85 -1.103 4.522 10.181 1.00 0.00 C ATOM 1310 NZ LYS A 85 0.105 3.658 10.294 1.00 0.00 N ATOM 0 H LYS A 85 -4.115 4.017 6.104 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.387 1.956 6.182 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.494 2.807 8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.273 1.608 8.574 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.538 3.382 7.861 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.860 4.533 7.906 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.225 4.198 10.245 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.276 2.725 10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.934 5.286 9.422 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.268 5.041 11.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.856 4.175 10.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.133 2.796 10.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.437 3.399 9.343 1.00 0.00 H new ATOM 1324 N VAL A 86 -3.384 -0.278 5.883 1.00 0.00 N ATOM 1325 CA VAL A 86 -3.943 -1.606 5.661 1.00 0.00 C ATOM 1326 C VAL A 86 -4.252 -2.300 6.984 1.00 0.00 C ATOM 1327 O VAL A 86 -3.424 -2.318 7.895 1.00 0.00 O ATOM 1328 CB VAL A 86 -2.984 -2.489 4.842 1.00 0.00 C ATOM 1329 CG1 VAL A 86 -3.543 -3.897 4.702 1.00 0.00 C ATOM 1330 CG2 VAL A 86 -2.726 -1.870 3.477 1.00 0.00 C ATOM 0 H VAL A 86 -2.382 -0.207 5.704 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.868 -1.471 5.100 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.034 -2.553 5.372 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.852 -4.507 4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.672 -4.337 5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.507 -3.857 4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.046 -2.507 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.668 -1.775 2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.279 -0.884 3.603 1.00 0.00 H new ATOM 1340 N SER A 87 -5.448 -2.871 7.081 1.00 0.00 N ATOM 1341 CA SER A 87 -5.868 -3.564 8.293 1.00 0.00 C ATOM 1342 C SER A 87 -5.672 -5.070 8.153 1.00 0.00 C ATOM 1343 O SER A 87 -5.533 -5.588 7.046 1.00 0.00 O ATOM 1344 CB SER A 87 -7.334 -3.255 8.601 1.00 0.00 C ATOM 1345 OG SER A 87 -7.475 -1.966 9.174 1.00 0.00 O ATOM 0 H SER A 87 -6.143 -2.867 6.335 1.00 0.00 H new ATOM 0 HA SER A 87 -5.249 -3.210 9.117 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.922 -3.315 7.685 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.731 -4.006 9.284 1.00 0.00 H new ATOM 0 HG SER A 87 -8.421 -1.792 9.360 1.00 0.00 H new ATOM 1351 N GLU A 88 -5.663 -5.767 9.285 1.00 0.00 N ATOM 1352 CA GLU A 88 -5.483 -7.214 9.289 1.00 0.00 C ATOM 1353 C GLU A 88 -6.138 -7.847 8.064 1.00 0.00 C ATOM 1354 O GLU A 88 -5.470 -8.485 7.251 1.00 0.00 O ATOM 1355 CB GLU A 88 -6.070 -7.820 10.565 1.00 0.00 C ATOM 1356 CG GLU A 88 -5.546 -9.212 10.875 1.00 0.00 C ATOM 1357 CD GLU A 88 -6.420 -9.957 11.866 1.00 0.00 C ATOM 1358 OE1 GLU A 88 -7.636 -10.078 11.611 1.00 0.00 O ATOM 1359 OE2 GLU A 88 -5.886 -10.420 12.896 1.00 0.00 O ATOM 0 H GLU A 88 -5.778 -5.353 10.210 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.413 -7.421 9.256 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.848 -7.162 11.405 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.155 -7.862 10.471 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.481 -9.786 9.951 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.535 -9.135 11.274 1.00 0.00 H new ATOM 1366 N GLN A 89 -7.449 -7.665 7.942 1.00 0.00 N ATOM 1367 CA GLN A 89 -8.195 -8.219 6.818 1.00 0.00 C ATOM 1368 C GLN A 89 -7.479 -7.941 5.500 1.00 0.00 C ATOM 1369 O GLN A 89 -7.198 -8.858 4.730 1.00 0.00 O ATOM 1370 CB GLN A 89 -9.608 -7.634 6.778 1.00 0.00 C ATOM 1371 CG GLN A 89 -10.479 -8.068 7.946 1.00 0.00 C ATOM 1372 CD GLN A 89 -11.933 -7.681 7.764 1.00 0.00 C ATOM 1373 OE1 GLN A 89 -12.380 -6.648 8.263 1.00 0.00 O ATOM 1374 NE2 GLN A 89 -12.682 -8.511 7.046 1.00 0.00 N ATOM 0 H GLN A 89 -8.016 -7.139 8.607 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.260 -9.298 6.954 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.542 -6.546 6.769 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.089 -7.931 5.846 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.407 -9.149 8.066 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.100 -7.619 8.864 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -12.271 -9.356 6.651 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.668 -8.303 6.890 1.00 0.00 H new ATOM 1383 N GLY A 90 -7.188 -6.669 5.247 1.00 0.00 N ATOM 1384 CA GLY A 90 -6.508 -6.293 4.021 1.00 0.00 C ATOM 1385 C GLY A 90 -5.197 -7.030 3.836 1.00 0.00 C ATOM 1386 O GLY A 90 -4.940 -7.601 2.775 1.00 0.00 O ATOM 0 H GLY A 90 -7.411 -5.892 5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.159 -6.497 3.171 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.320 -5.219 4.028 1.00 0.00 H new ATOM 1390 N LEU A 91 -4.362 -7.017 4.870 1.00 0.00 N ATOM 1391 CA LEU A 91 -3.068 -7.687 4.816 1.00 0.00 C ATOM 1392 C LEU A 91 -3.227 -9.146 4.399 1.00 0.00 C ATOM 1393 O LEU A 91 -2.755 -9.553 3.338 1.00 0.00 O ATOM 1394 CB LEU A 91 -2.373 -7.607 6.177 1.00 0.00 C ATOM 1395 CG LEU A 91 -1.052 -8.366 6.302 1.00 0.00 C ATOM 1396 CD1 LEU A 91 0.116 -7.471 5.918 1.00 0.00 C ATOM 1397 CD2 LEU A 91 -0.874 -8.900 7.716 1.00 0.00 C ATOM 0 H LEU A 91 -4.558 -6.550 5.755 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.455 -7.180 4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.189 -6.558 6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.059 -7.984 6.935 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.076 -9.213 5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.048 -8.028 6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.004 -7.138 4.887 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.143 -6.604 6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.072 -9.437 7.786 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.872 -8.069 8.421 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.694 -9.577 7.955 1.00 0.00 H new ATOM 1409 N ILE A 92 -3.897 -9.927 5.241 1.00 0.00 N ATOM 1410 CA ILE A 92 -4.121 -11.339 4.957 1.00 0.00 C ATOM 1411 C ILE A 92 -4.366 -11.569 3.470 1.00 0.00 C ATOM 1412 O ILE A 92 -3.774 -12.461 2.864 1.00 0.00 O ATOM 1413 CB ILE A 92 -5.318 -11.890 5.755 1.00 0.00 C ATOM 1414 CG1 ILE A 92 -4.974 -11.968 7.243 1.00 0.00 C ATOM 1415 CG2 ILE A 92 -5.722 -13.258 5.226 1.00 0.00 C ATOM 1416 CD1 ILE A 92 -6.180 -12.181 8.132 1.00 0.00 C ATOM 0 H ILE A 92 -4.293 -9.606 6.124 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.218 -11.869 5.259 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.162 -11.211 5.632 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.267 -12.782 7.402 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.472 -11.047 7.540 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.569 -13.634 5.800 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.004 -13.174 4.176 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.883 -13.948 5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.861 -12.226 9.173 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.878 -11.354 8.002 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.671 -13.116 7.862 1.00 0.00 H new ATOM 1428 N GLU A 93 -5.242 -10.756 2.887 1.00 0.00 N ATOM 1429 CA GLU A 93 -5.564 -10.871 1.470 1.00 0.00 C ATOM 1430 C GLU A 93 -4.313 -10.708 0.612 1.00 0.00 C ATOM 1431 O GLU A 93 -4.128 -11.419 -0.376 1.00 0.00 O ATOM 1432 CB GLU A 93 -6.607 -9.823 1.074 1.00 0.00 C ATOM 1433 CG GLU A 93 -7.974 -10.060 1.693 1.00 0.00 C ATOM 1434 CD GLU A 93 -9.085 -9.352 0.943 1.00 0.00 C ATOM 1435 OE1 GLU A 93 -9.454 -9.824 -0.153 1.00 0.00 O ATOM 1436 OE2 GLU A 93 -9.585 -8.327 1.451 1.00 0.00 O ATOM 0 H GLU A 93 -5.741 -10.011 3.374 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.975 -11.866 1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.249 -8.837 1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.706 -9.813 -0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.179 -11.130 1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.964 -9.718 2.728 1.00 0.00 H new ATOM 1443 N ILE A 94 -3.457 -9.768 0.998 1.00 0.00 N ATOM 1444 CA ILE A 94 -2.223 -9.512 0.265 1.00 0.00 C ATOM 1445 C ILE A 94 -1.368 -10.771 0.172 1.00 0.00 C ATOM 1446 O ILE A 94 -0.961 -11.180 -0.917 1.00 0.00 O ATOM 1447 CB ILE A 94 -1.397 -8.392 0.927 1.00 0.00 C ATOM 1448 CG1 ILE A 94 -2.138 -7.057 0.828 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.025 -8.292 0.278 1.00 0.00 C ATOM 1450 CD1 ILE A 94 -1.387 -5.902 1.454 1.00 0.00 C ATOM 0 H ILE A 94 -3.595 -9.171 1.814 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.511 -9.196 -0.738 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.262 -8.634 1.981 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.326 -6.832 -0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.110 -7.153 1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.547 -7.497 0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.503 -9.239 0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.140 -8.069 -0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.971 -4.988 1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.222 -6.106 2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.426 -5.779 0.954 1.00 0.00 H new ATOM 1462 N LEU A 95 -1.099 -11.383 1.320 1.00 0.00 N ATOM 1463 CA LEU A 95 -0.293 -12.598 1.369 1.00 0.00 C ATOM 1464 C LEU A 95 -0.615 -13.513 0.191 1.00 0.00 C ATOM 1465 O LEU A 95 0.284 -14.050 -0.456 1.00 0.00 O ATOM 1466 CB LEU A 95 -0.532 -13.340 2.685 1.00 0.00 C ATOM 1467 CG LEU A 95 -0.305 -12.530 3.962 1.00 0.00 C ATOM 1468 CD1 LEU A 95 -0.712 -13.337 5.185 1.00 0.00 C ATOM 1469 CD2 LEU A 95 1.150 -12.096 4.067 1.00 0.00 C ATOM 0 H LEU A 95 -1.427 -11.058 2.229 1.00 0.00 H new ATOM 0 HA LEU A 95 0.757 -12.311 1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.558 -13.709 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.121 -14.212 2.711 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.927 -11.636 3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.543 -12.745 6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.768 -13.597 5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.116 -14.249 5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.293 -11.521 4.982 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.792 -12.977 4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.409 -11.479 3.206 1.00 0.00 H new ATOM 1481 N LYS A 96 -1.904 -13.684 -0.083 1.00 0.00 N ATOM 1482 CA LYS A 96 -2.347 -14.530 -1.185 1.00 0.00 C ATOM 1483 C LYS A 96 -1.960 -13.920 -2.529 1.00 0.00 C ATOM 1484 O LYS A 96 -1.612 -14.634 -3.470 1.00 0.00 O ATOM 1485 CB LYS A 96 -3.862 -14.733 -1.123 1.00 0.00 C ATOM 1486 CG LYS A 96 -4.309 -15.629 0.020 1.00 0.00 C ATOM 1487 CD LYS A 96 -5.736 -15.324 0.442 1.00 0.00 C ATOM 1488 CE LYS A 96 -5.988 -15.728 1.887 1.00 0.00 C ATOM 1489 NZ LYS A 96 -5.824 -17.194 2.089 1.00 0.00 N ATOM 0 H LYS A 96 -2.661 -13.247 0.443 1.00 0.00 H new ATOM 0 HA LYS A 96 -1.853 -15.497 -1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.347 -13.762 -1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.201 -15.163 -2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.234 -16.673 -0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.641 -15.496 0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.933 -14.259 0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.431 -15.852 -0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.299 -15.192 2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.996 -15.432 2.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.086 -17.441 3.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.438 -17.707 1.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.833 -17.459 1.919 1.00 0.00 H new ATOM 1503 N LYS A 97 -2.021 -12.595 -2.612 1.00 0.00 N ATOM 1504 CA LYS A 97 -1.675 -11.888 -3.839 1.00 0.00 C ATOM 1505 C LYS A 97 -0.179 -11.988 -4.121 1.00 0.00 C ATOM 1506 O LYS A 97 0.234 -12.513 -5.156 1.00 0.00 O ATOM 1507 CB LYS A 97 -2.089 -10.418 -3.739 1.00 0.00 C ATOM 1508 CG LYS A 97 -3.564 -10.221 -3.438 1.00 0.00 C ATOM 1509 CD LYS A 97 -3.954 -8.753 -3.498 1.00 0.00 C ATOM 1510 CE LYS A 97 -4.342 -8.337 -4.908 1.00 0.00 C ATOM 1511 NZ LYS A 97 -3.148 -8.074 -5.758 1.00 0.00 N ATOM 0 H LYS A 97 -2.307 -11.989 -1.843 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.214 -12.356 -4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.500 -9.936 -2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.848 -9.917 -4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.161 -10.787 -4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.791 -10.619 -2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.788 -8.569 -2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.122 -8.140 -3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.947 -9.121 -5.364 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.961 -7.441 -4.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.360 -7.305 -6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.347 -7.798 -5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.903 -8.935 -6.288 1.00 0.00 H new ATOM 1525 N VAL A 98 0.628 -11.483 -3.194 1.00 0.00 N ATOM 1526 CA VAL A 98 2.078 -11.519 -3.342 1.00 0.00 C ATOM 1527 C VAL A 98 2.550 -12.892 -3.805 1.00 0.00 C ATOM 1528 O VAL A 98 3.644 -13.032 -4.353 1.00 0.00 O ATOM 1529 CB VAL A 98 2.786 -11.164 -2.021 1.00 0.00 C ATOM 1530 CG1 VAL A 98 1.991 -10.118 -1.253 1.00 0.00 C ATOM 1531 CG2 VAL A 98 2.995 -12.412 -1.177 1.00 0.00 C ATOM 0 H VAL A 98 0.303 -11.044 -2.333 1.00 0.00 H new ATOM 0 HA VAL A 98 2.337 -10.776 -4.096 1.00 0.00 H new ATOM 0 HB VAL A 98 3.764 -10.743 -2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.507 -9.880 -0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.898 -9.216 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.998 -10.508 -1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.496 -12.143 -0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.029 -12.864 -0.951 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.609 -13.125 -1.727 1.00 0.00 H new