USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 455 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 85 ASN : amide:sc= 0.485 K(o=1.4,f=-2.3) USER MOD Set 1.2: A 88 LYS NZ :NH3+ 168:sc= 0.943 (180deg=0) USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 77 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Set 3.1: A 56 ASN : amide:sc= 0.333 K(o=0.33,f=-5!) USER MOD Set 3.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 1.05 K(o=1.1,f=-9.4!) USER MOD Single : A 40 LYS NZ :NH3+ 159:sc= 1.27 (180deg=1.04) USER MOD Single : A 41 LYS NZ :NH3+ 176:sc= 0.0286 (180deg=0.0236) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 54 ASN : amide:sc= 0.509 K(o=0.51,f=0) USER MOD Single : A 61 SER OG : rot -39:sc= 1.2 USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0174) USER MOD Single : A 65 ASN : amide:sc= -0.0109 X(o=-0.011,f=-0.011) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 23:sc= 0.459 USER MOD Single : A 86 ASN : amide:sc= -0.205 X(o=-0.2,f=-0.2) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 623 N LEU A 35 -9.382 -5.642 2.939 1.00 0.00 N ATOM 624 CA LEU A 35 -8.945 -5.580 1.537 1.00 0.00 C ATOM 625 C LEU A 35 -9.844 -6.419 0.614 1.00 0.00 C ATOM 626 O LEU A 35 -9.774 -7.650 0.578 1.00 0.00 O ATOM 627 CB LEU A 35 -7.471 -6.021 1.411 1.00 0.00 C ATOM 628 CG LEU A 35 -6.463 -4.867 1.596 1.00 0.00 C ATOM 629 CD1 LEU A 35 -5.673 -5.001 2.897 1.00 0.00 C ATOM 630 CD2 LEU A 35 -5.485 -4.832 0.419 1.00 0.00 C ATOM 0 HA LEU A 35 -9.032 -4.543 1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.267 -6.793 2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.318 -6.472 0.431 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.036 -3.941 1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.976 -4.168 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.360 -4.991 3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.119 -5.939 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.777 -4.015 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.943 -5.776 0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.037 -4.680 -0.508 1.00 0.00 H new ATOM 642 N SER A 36 -10.629 -5.726 -0.209 1.00 0.00 N ATOM 643 CA SER A 36 -11.629 -6.297 -1.117 1.00 0.00 C ATOM 644 C SER A 36 -11.102 -6.405 -2.531 1.00 0.00 C ATOM 645 O SER A 36 -10.764 -7.495 -2.998 1.00 0.00 O ATOM 646 CB SER A 36 -12.954 -5.530 -1.002 1.00 0.00 C ATOM 647 OG SER A 36 -13.943 -6.120 -1.828 1.00 0.00 O ATOM 0 H SER A 36 -10.586 -4.708 -0.266 1.00 0.00 H new ATOM 0 HA SER A 36 -11.839 -7.323 -0.815 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.291 -5.529 0.035 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.805 -4.489 -1.290 1.00 0.00 H new ATOM 0 HG SER A 36 -14.782 -5.620 -1.742 1.00 0.00 H new ATOM 653 N GLU A 37 -10.964 -5.271 -3.200 1.00 0.00 N ATOM 654 CA GLU A 37 -10.572 -5.221 -4.599 1.00 0.00 C ATOM 655 C GLU A 37 -10.059 -3.835 -4.963 1.00 0.00 C ATOM 656 O GLU A 37 -8.963 -3.695 -5.497 1.00 0.00 O ATOM 657 CB GLU A 37 -11.789 -5.607 -5.457 1.00 0.00 C ATOM 658 CG GLU A 37 -11.310 -6.543 -6.562 1.00 0.00 C ATOM 659 CD GLU A 37 -12.352 -6.719 -7.680 1.00 0.00 C ATOM 660 OE1 GLU A 37 -13.364 -7.432 -7.472 1.00 0.00 O ATOM 661 OE2 GLU A 37 -12.144 -6.154 -8.783 1.00 0.00 O ATOM 0 H GLU A 37 -11.122 -4.353 -2.784 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.759 -5.923 -4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.547 -6.096 -4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.251 -4.717 -5.885 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.386 -6.152 -6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.075 -7.517 -6.132 1.00 0.00 H new ATOM 668 N GLU A 38 -10.796 -2.803 -4.551 1.00 0.00 N ATOM 669 CA GLU A 38 -10.386 -1.403 -4.675 1.00 0.00 C ATOM 670 C GLU A 38 -9.028 -1.178 -3.991 1.00 0.00 C ATOM 671 O GLU A 38 -8.160 -0.501 -4.533 1.00 0.00 O ATOM 672 CB GLU A 38 -11.480 -0.528 -4.040 1.00 0.00 C ATOM 673 CG GLU A 38 -11.310 0.977 -4.283 1.00 0.00 C ATOM 674 CD GLU A 38 -11.689 1.375 -5.724 1.00 0.00 C ATOM 675 OE1 GLU A 38 -12.858 1.768 -5.958 1.00 0.00 O ATOM 676 OE2 GLU A 38 -10.825 1.300 -6.629 1.00 0.00 O ATOM 0 H GLU A 38 -11.711 -2.918 -4.114 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.266 -1.135 -5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.449 -0.839 -4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.496 -0.710 -2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.931 1.531 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.276 1.261 -4.088 1.00 0.00 H new ATOM 683 N GLN A 39 -8.804 -1.831 -2.844 1.00 0.00 N ATOM 684 CA GLN A 39 -7.591 -1.703 -2.033 1.00 0.00 C ATOM 685 C GLN A 39 -6.361 -2.283 -2.750 1.00 0.00 C ATOM 686 O GLN A 39 -5.283 -1.691 -2.711 1.00 0.00 O ATOM 687 CB GLN A 39 -7.819 -2.360 -0.662 1.00 0.00 C ATOM 688 CG GLN A 39 -8.951 -1.715 0.166 1.00 0.00 C ATOM 689 CD GLN A 39 -10.365 -2.105 -0.272 1.00 0.00 C ATOM 690 OE1 GLN A 39 -10.588 -3.030 -1.044 1.00 0.00 O ATOM 691 NE2 GLN A 39 -11.383 -1.421 0.186 1.00 0.00 N ATOM 0 H GLN A 39 -9.482 -2.481 -2.445 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.382 -0.644 -1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.048 -3.415 -0.810 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.893 -2.312 -0.090 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.820 -1.991 1.212 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.853 -0.631 0.108 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.228 -0.646 0.830 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.331 -1.664 -0.101 1.00 0.00 H new ATOM 700 N LYS A 40 -6.526 -3.385 -3.496 1.00 0.00 N ATOM 701 CA LYS A 40 -5.488 -3.925 -4.402 1.00 0.00 C ATOM 702 C LYS A 40 -5.250 -3.020 -5.609 1.00 0.00 C ATOM 703 O LYS A 40 -4.101 -2.786 -5.979 1.00 0.00 O ATOM 704 CB LYS A 40 -5.885 -5.339 -4.848 1.00 0.00 C ATOM 705 CG LYS A 40 -5.610 -6.349 -3.725 1.00 0.00 C ATOM 706 CD LYS A 40 -6.684 -7.448 -3.609 1.00 0.00 C ATOM 707 CE LYS A 40 -7.336 -7.392 -2.220 1.00 0.00 C ATOM 708 NZ LYS A 40 -8.321 -8.486 -2.002 1.00 0.00 N ATOM 0 H LYS A 40 -7.386 -3.933 -3.492 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.547 -3.967 -3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.942 -5.360 -5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.325 -5.617 -5.741 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.640 -6.816 -3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.543 -5.816 -2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.441 -7.313 -4.382 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.234 -8.428 -3.771 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.560 -7.450 -1.457 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.834 -6.430 -2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.463 -8.627 -0.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.227 -8.231 -2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.963 -9.365 -2.427 1.00 0.00 H new ATOM 722 N LYS A 41 -6.314 -2.415 -6.145 1.00 0.00 N ATOM 723 CA LYS A 41 -6.232 -1.353 -7.174 1.00 0.00 C ATOM 724 C LYS A 41 -5.565 -0.052 -6.681 1.00 0.00 C ATOM 725 O LYS A 41 -5.345 0.854 -7.486 1.00 0.00 O ATOM 726 CB LYS A 41 -7.612 -1.084 -7.808 1.00 0.00 C ATOM 727 CG LYS A 41 -8.212 -2.338 -8.462 1.00 0.00 C ATOM 728 CD LYS A 41 -9.640 -2.091 -8.973 1.00 0.00 C ATOM 729 CE LYS A 41 -10.453 -3.389 -9.096 1.00 0.00 C ATOM 730 NZ LYS A 41 -9.876 -4.367 -10.056 1.00 0.00 N ATOM 0 H LYS A 41 -7.271 -2.646 -5.879 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.568 -1.738 -7.948 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.295 -0.715 -7.042 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.518 -0.297 -8.557 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.579 -2.653 -9.292 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.221 -3.155 -7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.152 -1.408 -8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.595 -1.601 -9.945 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.525 -3.857 -8.114 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.468 -3.143 -9.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.436 -5.243 -10.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.894 -3.964 -11.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.894 -4.579 -9.788 1.00 0.00 H new ATOM 744 N ILE A 42 -5.180 0.019 -5.401 1.00 0.00 N ATOM 745 CA ILE A 42 -4.215 0.987 -4.857 1.00 0.00 C ATOM 746 C ILE A 42 -2.855 0.312 -4.619 1.00 0.00 C ATOM 747 O ILE A 42 -1.880 0.713 -5.243 1.00 0.00 O ATOM 748 CB ILE A 42 -4.778 1.678 -3.594 1.00 0.00 C ATOM 749 CG1 ILE A 42 -6.062 2.478 -3.923 1.00 0.00 C ATOM 750 CG2 ILE A 42 -3.745 2.621 -2.940 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.175 2.187 -2.914 1.00 0.00 C ATOM 0 H ILE A 42 -5.543 -0.616 -4.690 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.051 1.778 -5.589 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.016 0.884 -2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.838 3.545 -3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.403 2.225 -4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.184 3.085 -2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.863 2.050 -2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.458 3.395 -3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.062 2.765 -3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.415 1.124 -2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.841 2.465 -1.914 1.00 0.00 H new ATOM 763 N VAL A 43 -2.762 -0.714 -3.761 1.00 0.00 N ATOM 764 CA VAL A 43 -1.463 -1.254 -3.298 1.00 0.00 C ATOM 765 C VAL A 43 -0.746 -2.089 -4.361 1.00 0.00 C ATOM 766 O VAL A 43 0.401 -1.797 -4.696 1.00 0.00 O ATOM 767 CB VAL A 43 -1.594 -2.060 -1.988 1.00 0.00 C ATOM 768 CG1 VAL A 43 -0.208 -2.461 -1.458 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.292 -1.240 -0.899 1.00 0.00 C ATOM 0 H VAL A 43 -3.572 -1.193 -3.368 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.847 -0.377 -3.100 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.185 -2.947 -2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.322 -3.028 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.302 -3.075 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.380 -1.564 -1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.369 -1.835 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.714 -0.339 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.290 -0.962 -1.237 1.00 0.00 H new ATOM 779 N ALA A 44 -1.406 -3.100 -4.933 1.00 0.00 N ATOM 780 CA ALA A 44 -0.819 -3.917 -5.999 1.00 0.00 C ATOM 781 C ALA A 44 -0.570 -3.072 -7.264 1.00 0.00 C ATOM 782 O ALA A 44 0.448 -3.234 -7.937 1.00 0.00 O ATOM 783 CB ALA A 44 -1.731 -5.119 -6.276 1.00 0.00 C ATOM 0 H ALA A 44 -2.354 -3.374 -4.673 1.00 0.00 H new ATOM 0 HA ALA A 44 0.153 -4.293 -5.680 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.298 -5.729 -7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.830 -5.717 -5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.714 -4.766 -6.586 1.00 0.00 H new ATOM 789 N ASP A 45 -1.447 -2.098 -7.528 1.00 0.00 N ATOM 790 CA ASP A 45 -1.238 -1.083 -8.571 1.00 0.00 C ATOM 791 C ASP A 45 0.007 -0.199 -8.324 1.00 0.00 C ATOM 792 O ASP A 45 0.708 0.153 -9.273 1.00 0.00 O ATOM 793 CB ASP A 45 -2.505 -0.231 -8.695 1.00 0.00 C ATOM 794 CG ASP A 45 -2.431 0.732 -9.893 1.00 0.00 C ATOM 795 OD1 ASP A 45 -2.239 1.953 -9.685 1.00 0.00 O ATOM 796 OD2 ASP A 45 -2.580 0.265 -11.047 1.00 0.00 O ATOM 0 H ASP A 45 -2.327 -1.989 -7.023 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.042 -1.603 -9.509 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.372 -0.883 -8.805 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.650 0.340 -7.778 1.00 0.00 H new ATOM 801 N TYR A 46 0.346 0.104 -7.064 1.00 0.00 N ATOM 802 CA TYR A 46 1.570 0.835 -6.698 1.00 0.00 C ATOM 803 C TYR A 46 2.835 -0.012 -6.923 1.00 0.00 C ATOM 804 O TYR A 46 3.840 0.468 -7.454 1.00 0.00 O ATOM 805 CB TYR A 46 1.486 1.308 -5.232 1.00 0.00 C ATOM 806 CG TYR A 46 2.046 2.691 -4.958 1.00 0.00 C ATOM 807 CD1 TYR A 46 1.424 3.517 -4.002 1.00 0.00 C ATOM 808 CD2 TYR A 46 3.172 3.163 -5.653 1.00 0.00 C ATOM 809 CE1 TYR A 46 1.918 4.811 -3.745 1.00 0.00 C ATOM 810 CE2 TYR A 46 3.645 4.468 -5.445 1.00 0.00 C ATOM 811 CZ TYR A 46 3.024 5.298 -4.482 1.00 0.00 C ATOM 812 OH TYR A 46 3.519 6.543 -4.245 1.00 0.00 O ATOM 0 H TYR A 46 -0.227 -0.154 -6.260 1.00 0.00 H new ATOM 0 HA TYR A 46 1.645 1.705 -7.351 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.441 1.290 -4.922 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.016 0.590 -4.606 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.562 3.156 -3.462 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.678 2.516 -6.354 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.455 5.428 -2.989 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.482 4.838 -6.019 1.00 0.00 H new ATOM 0 HH TYR A 46 4.279 6.712 -4.841 1.00 0.00 H new ATOM 822 N ILE A 47 2.776 -1.304 -6.599 1.00 0.00 N ATOM 823 CA ILE A 47 3.848 -2.271 -6.893 1.00 0.00 C ATOM 824 C ILE A 47 4.112 -2.348 -8.413 1.00 0.00 C ATOM 825 O ILE A 47 5.262 -2.457 -8.842 1.00 0.00 O ATOM 826 CB ILE A 47 3.495 -3.621 -6.215 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.980 -3.712 -4.748 1.00 0.00 C ATOM 828 CG2 ILE A 47 4.089 -4.839 -6.927 1.00 0.00 C ATOM 829 CD1 ILE A 47 3.790 -2.456 -3.896 1.00 0.00 C ATOM 0 H ILE A 47 1.977 -1.719 -6.120 1.00 0.00 H new ATOM 0 HA ILE A 47 4.801 -1.951 -6.471 1.00 0.00 H new ATOM 0 HB ILE A 47 2.406 -3.639 -6.269 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.457 -4.537 -4.264 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.040 -3.966 -4.752 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.801 -5.747 -6.397 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.714 -4.881 -7.950 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.176 -4.757 -6.942 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.166 -2.639 -2.889 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.338 -1.627 -4.343 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.730 -2.206 -3.847 1.00 0.00 H new ATOM 841 N SER A 48 3.083 -2.156 -9.241 1.00 0.00 N ATOM 842 CA SER A 48 3.219 -2.027 -10.702 1.00 0.00 C ATOM 843 C SER A 48 3.782 -0.674 -11.177 1.00 0.00 C ATOM 844 O SER A 48 4.130 -0.557 -12.355 1.00 0.00 O ATOM 845 CB SER A 48 1.874 -2.272 -11.395 1.00 0.00 C ATOM 846 OG SER A 48 1.411 -3.593 -11.151 1.00 0.00 O ATOM 0 H SER A 48 2.119 -2.084 -8.917 1.00 0.00 H new ATOM 0 HA SER A 48 3.948 -2.788 -10.981 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.139 -1.552 -11.035 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.979 -2.111 -12.468 1.00 0.00 H new ATOM 0 HG SER A 48 0.551 -3.727 -11.601 1.00 0.00 H new ATOM 852 N GLU A 49 3.887 0.353 -10.321 1.00 0.00 N ATOM 853 CA GLU A 49 4.260 1.716 -10.719 1.00 0.00 C ATOM 854 C GLU A 49 5.705 2.080 -10.329 1.00 0.00 C ATOM 855 O GLU A 49 6.404 2.725 -11.113 1.00 0.00 O ATOM 856 CB GLU A 49 3.235 2.680 -10.095 1.00 0.00 C ATOM 857 CG GLU A 49 3.337 4.124 -10.595 1.00 0.00 C ATOM 858 CD GLU A 49 2.937 4.265 -12.079 1.00 0.00 C ATOM 859 OE1 GLU A 49 3.829 4.281 -12.961 1.00 0.00 O ATOM 860 OE2 GLU A 49 1.722 4.379 -12.377 1.00 0.00 O ATOM 0 H GLU A 49 3.713 0.258 -9.320 1.00 0.00 H new ATOM 0 HA GLU A 49 4.239 1.793 -11.806 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.232 2.307 -10.301 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.361 2.674 -9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.696 4.762 -9.987 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.359 4.480 -10.462 1.00 0.00 H new ATOM 867 N VAL A 50 6.169 1.662 -9.141 1.00 0.00 N ATOM 868 CA VAL A 50 7.453 2.121 -8.561 1.00 0.00 C ATOM 869 C VAL A 50 8.394 1.001 -8.082 1.00 0.00 C ATOM 870 O VAL A 50 9.579 1.247 -7.852 1.00 0.00 O ATOM 871 CB VAL A 50 7.155 3.143 -7.449 1.00 0.00 C ATOM 872 CG1 VAL A 50 6.846 2.486 -6.104 1.00 0.00 C ATOM 873 CG2 VAL A 50 8.242 4.218 -7.350 1.00 0.00 C ATOM 0 H VAL A 50 5.669 0.997 -8.551 1.00 0.00 H new ATOM 0 HA VAL A 50 8.017 2.590 -9.367 1.00 0.00 H new ATOM 0 HB VAL A 50 6.238 3.656 -7.740 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.644 3.257 -5.360 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.972 1.842 -6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.701 1.889 -5.786 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.991 4.917 -6.553 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.200 3.747 -7.131 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.310 4.755 -8.296 1.00 0.00 H new ATOM 883 N GLY A 51 7.894 -0.226 -7.915 1.00 0.00 N ATOM 884 CA GLY A 51 8.696 -1.427 -7.647 1.00 0.00 C ATOM 885 C GLY A 51 8.058 -2.311 -6.584 1.00 0.00 C ATOM 886 O GLY A 51 7.347 -3.268 -6.880 1.00 0.00 O ATOM 0 H GLY A 51 6.894 -0.419 -7.963 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.816 -1.997 -8.569 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.694 -1.132 -7.323 1.00 0.00 H new ATOM 890 N LEU A 52 8.356 -1.977 -5.329 1.00 0.00 N ATOM 891 CA LEU A 52 7.884 -2.668 -4.123 1.00 0.00 C ATOM 892 C LEU A 52 8.130 -1.821 -2.868 1.00 0.00 C ATOM 893 O LEU A 52 7.288 -1.722 -1.979 1.00 0.00 O ATOM 894 CB LEU A 52 8.637 -4.016 -4.033 1.00 0.00 C ATOM 895 CG LEU A 52 8.207 -4.877 -2.834 1.00 0.00 C ATOM 896 CD1 LEU A 52 8.036 -6.333 -3.273 1.00 0.00 C ATOM 897 CD2 LEU A 52 9.219 -4.832 -1.688 1.00 0.00 C ATOM 0 H LEU A 52 8.959 -1.183 -5.112 1.00 0.00 H new ATOM 0 HA LEU A 52 6.809 -2.836 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.472 -4.578 -4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.707 -3.822 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 52 7.264 -4.466 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.731 -6.937 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.273 -6.392 -4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.982 -6.709 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.867 -5.457 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.182 -5.202 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.330 -3.805 -1.341 1.00 0.00 H new ATOM 909 N ASN A 53 9.314 -1.212 -2.836 1.00 0.00 N ATOM 910 CA ASN A 53 9.893 -0.524 -1.683 1.00 0.00 C ATOM 911 C ASN A 53 9.983 1.013 -1.808 1.00 0.00 C ATOM 912 O ASN A 53 10.337 1.672 -0.828 1.00 0.00 O ATOM 913 CB ASN A 53 11.251 -1.189 -1.377 1.00 0.00 C ATOM 914 CG ASN A 53 12.372 -0.784 -2.321 1.00 0.00 C ATOM 915 OD1 ASN A 53 13.018 0.240 -2.156 1.00 0.00 O ATOM 916 ND2 ASN A 53 12.645 -1.567 -3.343 1.00 0.00 N ATOM 0 H ASN A 53 9.925 -1.183 -3.652 1.00 0.00 H new ATOM 0 HA ASN A 53 9.212 -0.641 -0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.543 -0.940 -0.357 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.130 -2.271 -1.418 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.392 -1.318 -3.991 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.110 -2.423 -3.487 1.00 0.00 H new ATOM 923 N ASN A 54 9.668 1.597 -2.975 1.00 0.00 N ATOM 924 CA ASN A 54 9.864 3.036 -3.219 1.00 0.00 C ATOM 925 C ASN A 54 8.589 3.871 -2.973 1.00 0.00 C ATOM 926 O ASN A 54 8.654 5.099 -2.889 1.00 0.00 O ATOM 927 CB ASN A 54 10.416 3.229 -4.640 1.00 0.00 C ATOM 928 CG ASN A 54 11.685 2.438 -4.909 1.00 0.00 C ATOM 929 OD1 ASN A 54 12.743 2.706 -4.357 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.612 1.430 -5.750 1.00 0.00 N ATOM 0 H ASN A 54 9.274 1.092 -3.769 1.00 0.00 H new ATOM 0 HA ASN A 54 10.588 3.411 -2.495 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.653 2.934 -5.361 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.616 4.288 -4.803 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.440 0.867 -5.945 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.727 1.211 -6.208 1.00 0.00 H new ATOM 937 N LEU A 55 7.429 3.208 -2.867 1.00 0.00 N ATOM 938 CA LEU A 55 6.113 3.826 -2.657 1.00 0.00 C ATOM 939 C LEU A 55 5.943 4.531 -1.299 1.00 0.00 C ATOM 940 O LEU A 55 6.650 4.247 -0.330 1.00 0.00 O ATOM 941 CB LEU A 55 5.029 2.765 -2.898 1.00 0.00 C ATOM 942 CG LEU A 55 4.969 1.619 -1.874 1.00 0.00 C ATOM 943 CD1 LEU A 55 3.813 1.834 -0.901 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.723 0.297 -2.593 1.00 0.00 C ATOM 0 H LEU A 55 7.380 2.191 -2.927 1.00 0.00 H new ATOM 0 HA LEU A 55 6.014 4.637 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.059 3.262 -2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.184 2.334 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 55 5.917 1.599 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.784 1.014 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.954 2.776 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.874 1.865 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.681 -0.512 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.778 0.347 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.534 0.109 -3.297 1.00 0.00 H new ATOM 956 N ASN A 56 4.964 5.439 -1.231 1.00 0.00 N ATOM 957 CA ASN A 56 4.660 6.258 -0.057 1.00 0.00 C ATOM 958 C ASN A 56 3.452 5.703 0.720 1.00 0.00 C ATOM 959 O ASN A 56 2.344 5.599 0.190 1.00 0.00 O ATOM 960 CB ASN A 56 4.456 7.711 -0.525 1.00 0.00 C ATOM 961 CG ASN A 56 4.264 8.700 0.613 1.00 0.00 C ATOM 962 OD1 ASN A 56 4.250 8.362 1.787 1.00 0.00 O ATOM 963 ND2 ASN A 56 4.091 9.961 0.299 1.00 0.00 N ATOM 0 H ASN A 56 4.343 5.629 -2.017 1.00 0.00 H new ATOM 0 HA ASN A 56 5.491 6.231 0.648 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.318 8.016 -1.118 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.587 7.753 -1.181 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.946 10.654 1.033 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.102 10.249 -0.679 1.00 0.00 H new ATOM 970 N ALA A 57 3.659 5.406 2.002 1.00 0.00 N ATOM 971 CA ALA A 57 2.643 4.884 2.913 1.00 0.00 C ATOM 972 C ALA A 57 1.542 5.911 3.261 1.00 0.00 C ATOM 973 O ALA A 57 0.432 5.523 3.629 1.00 0.00 O ATOM 974 CB ALA A 57 3.382 4.391 4.160 1.00 0.00 C ATOM 0 H ALA A 57 4.568 5.526 2.449 1.00 0.00 H new ATOM 0 HA ALA A 57 2.102 4.071 2.429 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.663 3.990 4.874 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.089 3.610 3.879 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.921 5.222 4.616 1.00 0.00 H new ATOM 980 N THR A 58 1.807 7.213 3.098 1.00 0.00 N ATOM 981 CA THR A 58 0.807 8.279 3.283 1.00 0.00 C ATOM 982 C THR A 58 -0.300 8.200 2.226 1.00 0.00 C ATOM 983 O THR A 58 -1.476 8.307 2.562 1.00 0.00 O ATOM 984 CB THR A 58 1.484 9.661 3.272 1.00 0.00 C ATOM 985 OG1 THR A 58 2.432 9.731 4.318 1.00 0.00 O ATOM 986 CG2 THR A 58 0.501 10.810 3.481 1.00 0.00 C ATOM 0 H THR A 58 2.728 7.562 2.832 1.00 0.00 H new ATOM 0 HA THR A 58 0.338 8.134 4.256 1.00 0.00 H new ATOM 0 HB THR A 58 1.943 9.767 2.289 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.864 10.611 4.310 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.040 11.757 3.463 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.244 10.801 2.685 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.004 10.693 4.444 1.00 0.00 H new ATOM 994 N GLU A 59 0.033 7.930 0.962 1.00 0.00 N ATOM 995 CA GLU A 59 -0.953 7.728 -0.115 1.00 0.00 C ATOM 996 C GLU A 59 -1.861 6.518 0.164 1.00 0.00 C ATOM 997 O GLU A 59 -3.084 6.615 0.045 1.00 0.00 O ATOM 998 CB GLU A 59 -0.235 7.554 -1.463 1.00 0.00 C ATOM 999 CG GLU A 59 0.635 8.750 -1.880 1.00 0.00 C ATOM 1000 CD GLU A 59 -0.200 10.025 -2.111 1.00 0.00 C ATOM 1001 OE1 GLU A 59 -0.781 10.182 -3.212 1.00 0.00 O ATOM 1002 OE2 GLU A 59 -0.276 10.878 -1.195 1.00 0.00 O ATOM 0 H GLU A 59 1.000 7.844 0.649 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.587 8.614 -0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.392 6.664 -1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.981 7.376 -2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.381 8.941 -1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.177 8.502 -2.793 1.00 0.00 H new ATOM 1009 N LEU A 60 -1.284 5.403 0.633 1.00 0.00 N ATOM 1010 CA LEU A 60 -2.050 4.253 1.140 1.00 0.00 C ATOM 1011 C LEU A 60 -2.981 4.639 2.304 1.00 0.00 C ATOM 1012 O LEU A 60 -4.153 4.271 2.295 1.00 0.00 O ATOM 1013 CB LEU A 60 -1.101 3.122 1.578 1.00 0.00 C ATOM 1014 CG LEU A 60 -0.685 2.164 0.452 1.00 0.00 C ATOM 1015 CD1 LEU A 60 0.192 2.816 -0.611 1.00 0.00 C ATOM 1016 CD2 LEU A 60 0.087 0.992 1.056 1.00 0.00 C ATOM 0 H LEU A 60 -0.273 5.272 0.672 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.677 3.902 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.204 3.565 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.584 2.546 2.367 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.604 1.841 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.447 2.080 -1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.348 3.643 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.105 3.191 -0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.386 0.306 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.974 1.366 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.548 0.467 1.769 1.00 0.00 H new ATOM 1028 N SER A 61 -2.509 5.426 3.275 1.00 0.00 N ATOM 1029 CA SER A 61 -3.312 5.885 4.422 1.00 0.00 C ATOM 1030 C SER A 61 -4.515 6.745 4.015 1.00 0.00 C ATOM 1031 O SER A 61 -5.545 6.734 4.694 1.00 0.00 O ATOM 1032 CB SER A 61 -2.425 6.621 5.435 1.00 0.00 C ATOM 1033 OG SER A 61 -2.218 7.985 5.111 1.00 0.00 O ATOM 0 H SER A 61 -1.548 5.769 3.291 1.00 0.00 H new ATOM 0 HA SER A 61 -3.727 4.993 4.892 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.881 6.554 6.423 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.460 6.118 5.495 1.00 0.00 H new ATOM 0 HG SER A 61 -2.104 8.077 4.142 1.00 0.00 H new ATOM 1039 N LYS A 62 -4.412 7.429 2.869 1.00 0.00 N ATOM 1040 CA LYS A 62 -5.437 8.323 2.304 1.00 0.00 C ATOM 1041 C LYS A 62 -6.484 7.553 1.497 1.00 0.00 C ATOM 1042 O LYS A 62 -7.672 7.874 1.563 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.745 9.384 1.428 1.00 0.00 C ATOM 1044 CG LYS A 62 -4.005 10.449 2.253 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.999 11.214 1.377 1.00 0.00 C ATOM 1046 CE LYS A 62 -2.427 12.450 2.087 1.00 0.00 C ATOM 1047 NZ LYS A 62 -3.425 13.547 2.215 1.00 0.00 N ATOM 0 H LYS A 62 -3.578 7.374 2.284 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.967 8.808 3.124 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.037 8.892 0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.490 9.871 0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.724 11.146 2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.484 9.975 3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.183 10.547 1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.487 11.523 0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.076 12.165 3.079 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.561 12.814 1.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.963 14.392 2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.817 13.770 1.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.193 13.246 2.849 1.00 0.00 H new ATOM 1061 N ARG A 63 -6.048 6.531 0.751 1.00 0.00 N ATOM 1062 CA ARG A 63 -6.886 5.729 -0.158 1.00 0.00 C ATOM 1063 C ARG A 63 -7.509 4.484 0.491 1.00 0.00 C ATOM 1064 O ARG A 63 -8.644 4.147 0.159 1.00 0.00 O ATOM 1065 CB ARG A 63 -6.042 5.363 -1.389 1.00 0.00 C ATOM 1066 CG ARG A 63 -5.800 6.515 -2.377 1.00 0.00 C ATOM 1067 CD ARG A 63 -7.079 6.874 -3.150 1.00 0.00 C ATOM 1068 NE ARG A 63 -6.797 7.768 -4.292 1.00 0.00 N ATOM 1069 CZ ARG A 63 -6.907 9.085 -4.337 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -6.663 9.722 -5.447 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -7.258 9.795 -3.302 1.00 0.00 N ATOM 0 H ARG A 63 -5.074 6.228 0.761 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.744 6.337 -0.445 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.077 4.986 -1.050 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.534 4.547 -1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.443 7.391 -1.835 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.016 6.234 -3.080 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.554 5.962 -3.511 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.787 7.357 -2.477 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.479 7.315 -5.149 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.387 9.205 -6.282 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.748 10.738 -5.481 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.460 9.336 -2.414 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.331 10.809 -3.380 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.811 3.826 1.424 1.00 0.00 N ATOM 1086 CA LEU A 64 -7.330 2.686 2.202 1.00 0.00 C ATOM 1087 C LEU A 64 -7.958 3.111 3.545 1.00 0.00 C ATOM 1088 O LEU A 64 -8.652 2.302 4.163 1.00 0.00 O ATOM 1089 CB LEU A 64 -6.245 1.609 2.425 1.00 0.00 C ATOM 1090 CG LEU A 64 -5.839 0.809 1.172 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -4.766 1.514 0.344 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -5.272 -0.551 1.586 1.00 0.00 C ATOM 0 H LEU A 64 -5.851 4.073 1.667 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.129 2.252 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.356 2.092 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.601 0.910 3.182 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.741 0.706 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.519 0.905 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.139 2.483 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.873 1.657 0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.987 -1.112 0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.396 -0.403 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.029 -1.108 2.139 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.748 4.362 3.985 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.266 4.912 5.248 1.00 0.00 C ATOM 1106 C ASN A 65 -7.783 4.104 6.474 1.00 0.00 C ATOM 1107 O ASN A 65 -8.554 3.453 7.184 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.790 5.144 5.143 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.388 5.754 6.404 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -11.278 5.202 7.037 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -9.935 6.921 6.807 1.00 0.00 N ATOM 0 H ASN A 65 -7.197 5.038 3.456 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.840 5.900 5.424 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.995 5.800 4.297 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.283 4.194 4.937 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.325 7.359 7.641 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.193 7.388 6.285 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.468 4.152 6.690 1.00 0.00 N ATOM 1119 CA ILE A 66 -5.725 3.444 7.747 1.00 0.00 C ATOM 1120 C ILE A 66 -4.744 4.373 8.464 1.00 0.00 C ATOM 1121 O ILE A 66 -4.356 5.422 7.950 1.00 0.00 O ATOM 1122 CB ILE A 66 -4.966 2.206 7.196 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -4.183 2.513 5.899 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -5.936 1.031 7.059 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -3.423 1.331 5.295 1.00 0.00 C ATOM 0 H ILE A 66 -5.854 4.716 6.102 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.469 3.098 8.465 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.196 1.922 7.913 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.882 2.892 5.154 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.472 3.313 6.105 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.403 0.162 6.672 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.359 0.792 8.035 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.738 1.300 6.372 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.909 1.653 4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.693 0.962 6.015 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.125 0.534 5.049 1.00 0.00 H new ATOM 1137 N THR A 67 -4.293 3.938 9.636 1.00 0.00 N ATOM 1138 CA THR A 67 -3.112 4.461 10.326 1.00 0.00 C ATOM 1139 C THR A 67 -1.884 4.331 9.417 1.00 0.00 C ATOM 1140 O THR A 67 -1.653 3.268 8.838 1.00 0.00 O ATOM 1141 CB THR A 67 -2.931 3.652 11.622 1.00 0.00 C ATOM 1142 OG1 THR A 67 -4.014 3.916 12.490 1.00 0.00 O ATOM 1143 CG2 THR A 67 -1.646 3.959 12.375 1.00 0.00 C ATOM 0 H THR A 67 -4.752 3.187 10.151 1.00 0.00 H new ATOM 0 HA THR A 67 -3.234 5.517 10.568 1.00 0.00 H new ATOM 0 HB THR A 67 -2.886 2.607 11.317 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.904 3.401 13.317 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.597 3.347 13.275 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.789 3.738 11.738 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.629 5.013 12.652 1.00 0.00 H new ATOM 1151 N VAL A 68 -1.060 5.381 9.310 1.00 0.00 N ATOM 1152 CA VAL A 68 0.136 5.384 8.435 1.00 0.00 C ATOM 1153 C VAL A 68 1.110 4.264 8.816 1.00 0.00 C ATOM 1154 O VAL A 68 1.702 3.623 7.951 1.00 0.00 O ATOM 1155 CB VAL A 68 0.864 6.749 8.463 1.00 0.00 C ATOM 1156 CG1 VAL A 68 1.966 6.819 7.396 1.00 0.00 C ATOM 1157 CG2 VAL A 68 -0.082 7.930 8.208 1.00 0.00 C ATOM 0 H VAL A 68 -1.196 6.253 9.822 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.218 5.207 7.419 1.00 0.00 H new ATOM 0 HB VAL A 68 1.285 6.825 9.465 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.457 7.791 7.443 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.699 6.033 7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.525 6.683 6.408 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.483 8.862 8.239 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.546 7.819 7.228 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.856 7.949 8.976 1.00 0.00 H new ATOM 1167 N ASP A 69 1.214 3.945 10.105 1.00 0.00 N ATOM 1168 CA ASP A 69 2.075 2.864 10.597 1.00 0.00 C ATOM 1169 C ASP A 69 1.557 1.462 10.240 1.00 0.00 C ATOM 1170 O ASP A 69 2.361 0.559 9.990 1.00 0.00 O ATOM 1171 CB ASP A 69 2.293 3.030 12.107 1.00 0.00 C ATOM 1172 CG ASP A 69 3.341 2.044 12.651 1.00 0.00 C ATOM 1173 OD1 ASP A 69 2.966 1.122 13.416 1.00 0.00 O ATOM 1174 OD2 ASP A 69 4.544 2.210 12.338 1.00 0.00 O ATOM 0 H ASP A 69 0.703 4.429 10.843 1.00 0.00 H new ATOM 0 HA ASP A 69 3.034 2.947 10.086 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.613 4.051 12.317 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.348 2.878 12.628 1.00 0.00 H new ATOM 1179 N LYS A 70 0.231 1.289 10.100 1.00 0.00 N ATOM 1180 CA LYS A 70 -0.340 0.053 9.553 1.00 0.00 C ATOM 1181 C LYS A 70 -0.014 -0.087 8.072 1.00 0.00 C ATOM 1182 O LYS A 70 0.315 -1.188 7.654 1.00 0.00 O ATOM 1183 CB LYS A 70 -1.853 -0.043 9.810 1.00 0.00 C ATOM 1184 CG LYS A 70 -2.166 -0.341 11.283 1.00 0.00 C ATOM 1185 CD LYS A 70 -3.673 -0.543 11.498 1.00 0.00 C ATOM 1186 CE LYS A 70 -3.950 -0.958 12.948 1.00 0.00 C ATOM 1187 NZ LYS A 70 -5.400 -1.193 13.184 1.00 0.00 N ATOM 0 H LYS A 70 -0.462 1.991 10.359 1.00 0.00 H new ATOM 0 HA LYS A 70 0.122 -0.783 10.078 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.331 0.893 9.520 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.279 -0.826 9.183 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.627 -1.234 11.599 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.813 0.481 11.906 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.207 0.379 11.267 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.046 -1.307 10.816 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.392 -1.865 13.180 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.592 -0.181 13.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.550 -1.472 14.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.930 -0.320 12.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.735 -1.951 12.556 1.00 0.00 H new ATOM 1201 N ALA A 71 0.012 1.007 7.307 1.00 0.00 N ATOM 1202 CA ALA A 71 0.427 0.977 5.900 1.00 0.00 C ATOM 1203 C ALA A 71 1.915 0.609 5.777 1.00 0.00 C ATOM 1204 O ALA A 71 2.262 -0.343 5.078 1.00 0.00 O ATOM 1205 CB ALA A 71 0.103 2.329 5.243 1.00 0.00 C ATOM 0 H ALA A 71 -0.252 1.934 7.641 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.129 0.203 5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.411 2.309 4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.969 2.515 5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.638 3.124 5.763 1.00 0.00 H new ATOM 1211 N LYS A 72 2.781 1.295 6.535 1.00 0.00 N ATOM 1212 CA LYS A 72 4.243 1.096 6.548 1.00 0.00 C ATOM 1213 C LYS A 72 4.643 -0.357 6.834 1.00 0.00 C ATOM 1214 O LYS A 72 5.572 -0.858 6.199 1.00 0.00 O ATOM 1215 CB LYS A 72 4.886 2.039 7.581 1.00 0.00 C ATOM 1216 CG LYS A 72 4.932 3.510 7.137 1.00 0.00 C ATOM 1217 CD LYS A 72 5.296 4.480 8.274 1.00 0.00 C ATOM 1218 CE LYS A 72 6.625 4.188 8.988 1.00 0.00 C ATOM 1219 NZ LYS A 72 7.806 4.430 8.114 1.00 0.00 N ATOM 0 H LYS A 72 2.478 2.027 7.177 1.00 0.00 H new ATOM 0 HA LYS A 72 4.611 1.331 5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.332 1.969 8.517 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.901 1.700 7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.659 3.616 6.332 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.961 3.789 6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.335 5.491 7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.495 4.464 9.013 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.701 4.813 9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.633 3.152 9.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.677 4.219 8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.750 3.815 7.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.817 5.425 7.812 1.00 0.00 H new ATOM 1233 N THR A 73 3.940 -1.050 7.739 1.00 0.00 N ATOM 1234 CA THR A 73 4.219 -2.471 8.036 1.00 0.00 C ATOM 1235 C THR A 73 3.461 -3.447 7.127 1.00 0.00 C ATOM 1236 O THR A 73 4.018 -4.471 6.724 1.00 0.00 O ATOM 1237 CB THR A 73 4.034 -2.781 9.530 1.00 0.00 C ATOM 1238 OG1 THR A 73 4.735 -3.966 9.838 1.00 0.00 O ATOM 1239 CG2 THR A 73 2.583 -2.965 9.973 1.00 0.00 C ATOM 0 H THR A 73 3.172 -0.654 8.281 1.00 0.00 H new ATOM 0 HA THR A 73 5.271 -2.633 7.802 1.00 0.00 H new ATOM 0 HB THR A 73 4.415 -1.910 10.063 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.625 -4.173 10.790 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.553 -3.180 11.041 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.022 -2.052 9.771 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.137 -3.794 9.424 1.00 0.00 H new ATOM 1247 N TYR A 74 2.227 -3.127 6.722 1.00 0.00 N ATOM 1248 CA TYR A 74 1.429 -3.958 5.814 1.00 0.00 C ATOM 1249 C TYR A 74 2.108 -4.146 4.449 1.00 0.00 C ATOM 1250 O TYR A 74 2.097 -5.257 3.923 1.00 0.00 O ATOM 1251 CB TYR A 74 0.030 -3.349 5.648 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.791 -4.009 4.567 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -1.345 -5.285 4.779 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -0.918 -3.375 3.318 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -1.993 -5.952 3.721 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -1.561 -4.039 2.262 1.00 0.00 C ATOM 1257 CZ TYR A 74 -2.075 -5.339 2.451 1.00 0.00 C ATOM 1258 OH TYR A 74 -2.602 -6.018 1.397 1.00 0.00 O ATOM 0 H TYR A 74 1.750 -2.276 7.018 1.00 0.00 H new ATOM 0 HA TYR A 74 1.341 -4.949 6.259 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.504 -3.423 6.595 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.129 -2.288 5.420 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.274 -5.752 5.750 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.522 -2.381 3.172 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.426 -6.929 3.880 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.663 -3.554 1.303 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.584 -5.449 0.599 1.00 0.00 H new ATOM 1268 N ILE A 75 2.768 -3.105 3.920 1.00 0.00 N ATOM 1269 CA ILE A 75 3.560 -3.154 2.677 1.00 0.00 C ATOM 1270 C ILE A 75 4.507 -4.368 2.675 1.00 0.00 C ATOM 1271 O ILE A 75 4.367 -5.263 1.839 1.00 0.00 O ATOM 1272 CB ILE A 75 4.316 -1.811 2.504 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.338 -0.682 2.106 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.447 -1.883 1.460 1.00 0.00 C ATOM 1275 CD1 ILE A 75 3.890 0.717 2.430 1.00 0.00 C ATOM 0 H ILE A 75 2.767 -2.182 4.354 1.00 0.00 H new ATOM 0 HA ILE A 75 2.897 -3.284 1.821 1.00 0.00 H new ATOM 0 HB ILE A 75 4.770 -1.597 3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.127 -0.748 1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.391 -0.825 2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.936 -0.912 1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.176 -2.634 1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.030 -2.154 0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.164 1.473 2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.075 0.796 3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.822 0.875 1.888 1.00 0.00 H new ATOM 1287 N LYS A 76 5.423 -4.453 3.649 1.00 0.00 N ATOM 1288 CA LYS A 76 6.432 -5.527 3.716 1.00 0.00 C ATOM 1289 C LYS A 76 5.880 -6.882 4.175 1.00 0.00 C ATOM 1290 O LYS A 76 6.489 -7.905 3.874 1.00 0.00 O ATOM 1291 CB LYS A 76 7.637 -5.075 4.565 1.00 0.00 C ATOM 1292 CG LYS A 76 7.308 -4.875 6.055 1.00 0.00 C ATOM 1293 CD LYS A 76 8.569 -4.571 6.874 1.00 0.00 C ATOM 1294 CE LYS A 76 8.210 -4.464 8.362 1.00 0.00 C ATOM 1295 NZ LYS A 76 9.416 -4.229 9.199 1.00 0.00 N ATOM 0 H LYS A 76 5.488 -3.781 4.414 1.00 0.00 H new ATOM 0 HA LYS A 76 6.766 -5.702 2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.431 -5.816 4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.025 -4.140 4.160 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.596 -4.057 6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.827 -5.771 6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.309 -5.357 6.725 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.020 -3.640 6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.500 -3.650 8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.715 -5.380 8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.137 -4.162 10.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.082 -5.019 9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.874 -3.342 8.907 1.00 0.00 H new ATOM 1309 N ASN A 77 4.743 -6.915 4.875 1.00 0.00 N ATOM 1310 CA ASN A 77 4.093 -8.165 5.293 1.00 0.00 C ATOM 1311 C ASN A 77 3.233 -8.795 4.177 1.00 0.00 C ATOM 1312 O ASN A 77 3.136 -10.020 4.093 1.00 0.00 O ATOM 1313 CB ASN A 77 3.283 -7.921 6.579 1.00 0.00 C ATOM 1314 CG ASN A 77 4.160 -7.923 7.821 1.00 0.00 C ATOM 1315 OD1 ASN A 77 4.392 -8.952 8.442 1.00 0.00 O ATOM 1316 ND2 ASN A 77 4.690 -6.792 8.221 1.00 0.00 N ATOM 0 H ASN A 77 4.244 -6.075 5.170 1.00 0.00 H new ATOM 0 HA ASN A 77 4.873 -8.896 5.502 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.765 -6.965 6.504 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.518 -8.691 6.676 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.291 -6.774 9.045 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.501 -5.931 7.708 1.00 0.00 H new ATOM 1420 N THR A 84 5.831 -14.171 -4.404 1.00 0.00 N ATOM 1421 CA THR A 84 6.903 -15.144 -4.097 1.00 0.00 C ATOM 1422 C THR A 84 7.856 -15.421 -5.277 1.00 0.00 C ATOM 1423 O THR A 84 8.362 -16.533 -5.436 1.00 0.00 O ATOM 1424 CB THR A 84 6.339 -16.434 -3.454 1.00 0.00 C ATOM 1425 OG1 THR A 84 5.168 -16.167 -2.702 1.00 0.00 O ATOM 1426 CG2 THR A 84 7.329 -17.051 -2.462 1.00 0.00 C ATOM 0 HA THR A 84 7.535 -14.666 -3.348 1.00 0.00 H new ATOM 0 HB THR A 84 6.138 -17.109 -4.286 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.753 -15.340 -3.026 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.897 -17.955 -2.032 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.254 -17.302 -2.980 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.541 -16.336 -1.667 1.00 0.00 H new ATOM 1434 N ASN A 85 8.070 -14.423 -6.149 1.00 0.00 N ATOM 1435 CA ASN A 85 8.806 -14.535 -7.419 1.00 0.00 C ATOM 1436 C ASN A 85 8.300 -15.653 -8.373 1.00 0.00 C ATOM 1437 O ASN A 85 9.024 -16.089 -9.261 1.00 0.00 O ATOM 1438 CB ASN A 85 10.322 -14.559 -7.104 1.00 0.00 C ATOM 1439 CG ASN A 85 11.224 -14.493 -8.327 1.00 0.00 C ATOM 1440 OD1 ASN A 85 11.870 -15.462 -8.707 1.00 0.00 O ATOM 1441 ND2 ASN A 85 11.310 -13.355 -8.978 1.00 0.00 N ATOM 0 H ASN A 85 7.722 -13.479 -5.982 1.00 0.00 H new ATOM 0 HA ASN A 85 8.600 -13.653 -8.025 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.557 -13.720 -6.450 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.550 -15.469 -6.549 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.913 -13.280 -9.797 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.773 -12.546 -8.664 1.00 0.00 H new ATOM 1448 N ASN A 86 7.054 -16.120 -8.235 1.00 0.00 N ATOM 1449 CA ASN A 86 6.491 -17.280 -8.949 1.00 0.00 C ATOM 1450 C ASN A 86 5.573 -16.878 -10.133 1.00 0.00 C ATOM 1451 O ASN A 86 4.653 -17.596 -10.510 1.00 0.00 O ATOM 1452 CB ASN A 86 5.932 -18.300 -7.922 1.00 0.00 C ATOM 1453 CG ASN A 86 4.421 -18.311 -7.746 1.00 0.00 C ATOM 1454 OD1 ASN A 86 3.751 -19.325 -7.877 1.00 0.00 O ATOM 1455 ND2 ASN A 86 3.842 -17.186 -7.413 1.00 0.00 N ATOM 0 H ASN A 86 6.383 -15.687 -7.601 1.00 0.00 H new ATOM 0 HA ASN A 86 7.278 -17.817 -9.478 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.250 -19.299 -8.222 1.00 0.00 H new ATOM 0 HB3 ASN A 86 6.389 -18.097 -6.953 1.00 0.00 H new ATOM 0 HD21 ASN A 86 2.833 -17.156 -7.263 1.00 0.00 H new ATOM 0 HD22 ASN A 86 4.399 -16.339 -7.303 1.00 0.00 H new ATOM 1462 N PHE A 87 5.818 -15.707 -10.724 1.00 0.00 N ATOM 1463 CA PHE A 87 4.979 -15.079 -11.761 1.00 0.00 C ATOM 1464 C PHE A 87 5.673 -14.959 -13.137 1.00 0.00 C ATOM 1465 O PHE A 87 5.196 -14.271 -14.041 1.00 0.00 O ATOM 1466 CB PHE A 87 4.512 -13.728 -11.200 1.00 0.00 C ATOM 1467 CG PHE A 87 5.625 -12.721 -10.944 1.00 0.00 C ATOM 1468 CD1 PHE A 87 6.117 -11.920 -11.995 1.00 0.00 C ATOM 1469 CD2 PHE A 87 6.181 -12.586 -9.655 1.00 0.00 C ATOM 1470 CE1 PHE A 87 7.156 -11.002 -11.765 1.00 0.00 C ATOM 1471 CE2 PHE A 87 7.214 -11.658 -9.424 1.00 0.00 C ATOM 1472 CZ PHE A 87 7.705 -10.870 -10.478 1.00 0.00 C ATOM 0 H PHE A 87 6.636 -15.144 -10.489 1.00 0.00 H new ATOM 0 HA PHE A 87 4.122 -15.717 -11.975 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.798 -13.289 -11.897 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.979 -13.904 -10.266 1.00 0.00 H new ATOM 0 HD1 PHE A 87 5.692 -12.013 -12.984 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.813 -13.196 -8.843 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.533 -10.398 -12.577 1.00 0.00 H new ATOM 0 HE2 PHE A 87 7.630 -11.552 -8.433 1.00 0.00 H new ATOM 0 HZ PHE A 87 8.503 -10.164 -10.300 1.00 0.00 H new ATOM 1482 N LYS A 88 6.836 -15.607 -13.281 1.00 0.00 N ATOM 1483 CA LYS A 88 7.885 -15.315 -14.281 1.00 0.00 C ATOM 1484 C LYS A 88 7.798 -16.137 -15.571 1.00 0.00 C ATOM 1485 O LYS A 88 8.351 -15.741 -16.598 1.00 0.00 O ATOM 1486 CB LYS A 88 9.249 -15.492 -13.580 1.00 0.00 C ATOM 1487 CG LYS A 88 9.462 -16.903 -12.983 1.00 0.00 C ATOM 1488 CD LYS A 88 10.603 -16.938 -11.960 1.00 0.00 C ATOM 1489 CE LYS A 88 10.377 -18.084 -10.960 1.00 0.00 C ATOM 1490 NZ LYS A 88 11.411 -18.066 -9.894 1.00 0.00 N ATOM 0 H LYS A 88 7.089 -16.389 -12.676 1.00 0.00 H new ATOM 0 HA LYS A 88 7.744 -14.292 -14.629 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.045 -15.286 -14.296 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.337 -14.753 -12.784 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.540 -17.236 -12.506 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.677 -17.606 -13.787 1.00 0.00 H new ATOM 0 HD2 LYS A 88 11.556 -17.073 -12.471 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.657 -15.987 -11.430 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.387 -17.993 -10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.404 -19.040 -11.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.130 -18.709 -9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.322 -18.376 -10.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.506 -17.101 -9.519 1.00 0.00 H new ATOM 1504 N THR A 89 7.108 -17.274 -15.495 1.00 0.00 N ATOM 1505 CA THR A 89 7.064 -18.337 -16.512 1.00 0.00 C ATOM 1506 C THR A 89 5.762 -19.133 -16.399 1.00 0.00 C ATOM 1507 O THR A 89 5.045 -19.304 -17.382 1.00 0.00 O ATOM 1508 CB THR A 89 8.275 -19.274 -16.313 1.00 0.00 C ATOM 1509 OG1 THR A 89 9.446 -18.678 -16.829 1.00 0.00 O ATOM 1510 CG2 THR A 89 8.106 -20.629 -16.990 1.00 0.00 C ATOM 0 H THR A 89 6.533 -17.495 -14.682 1.00 0.00 H new ATOM 0 HA THR A 89 7.105 -17.888 -17.504 1.00 0.00 H new ATOM 0 HB THR A 89 8.350 -19.434 -15.237 1.00 0.00 H new ATOM 0 HG1 THR A 89 10.207 -19.281 -16.695 1.00 0.00 H new ATOM 0 HG21 THR A 89 8.992 -21.238 -16.811 1.00 0.00 H new ATOM 0 HG22 THR A 89 7.230 -21.133 -16.581 1.00 0.00 H new ATOM 0 HG23 THR A 89 7.975 -20.486 -18.063 1.00 0.00 H new ATOM 1518 N ILE A 90 5.448 -19.606 -15.189 1.00 0.00 N ATOM 1519 CA ILE A 90 4.177 -20.239 -14.819 1.00 0.00 C ATOM 1520 C ILE A 90 3.036 -19.207 -14.746 1.00 0.00 C ATOM 1521 O ILE A 90 3.212 -18.045 -15.119 1.00 0.00 O ATOM 1522 CB ILE A 90 4.379 -21.054 -13.525 1.00 0.00 C ATOM 1523 CG1 ILE A 90 4.876 -20.172 -12.365 1.00 0.00 C ATOM 1524 CG2 ILE A 90 5.327 -22.240 -13.780 1.00 0.00 C ATOM 1525 CD1 ILE A 90 4.608 -20.802 -10.999 1.00 0.00 C ATOM 0 H ILE A 90 6.100 -19.556 -14.406 1.00 0.00 H new ATOM 0 HA ILE A 90 3.864 -20.939 -15.594 1.00 0.00 H new ATOM 0 HB ILE A 90 3.410 -21.451 -13.224 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.946 -19.997 -12.478 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.387 -19.199 -12.416 1.00 0.00 H new ATOM 0 HG21 ILE A 90 5.459 -22.805 -12.857 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.900 -22.889 -14.545 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.294 -21.867 -14.119 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.977 -20.141 -10.215 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.536 -20.953 -10.872 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.120 -21.762 -10.935 1.00 0.00 H new ATOM 1537 N LYS A 91 1.845 -19.634 -14.312 1.00 0.00 N ATOM 1538 CA LYS A 91 0.574 -18.882 -14.289 1.00 0.00 C ATOM 1539 C LYS A 91 -0.014 -18.490 -15.657 1.00 0.00 C ATOM 1540 O LYS A 91 -1.236 -18.390 -15.761 1.00 0.00 O ATOM 1541 CB LYS A 91 0.658 -17.655 -13.345 1.00 0.00 C ATOM 1542 CG LYS A 91 1.188 -17.901 -11.914 1.00 0.00 C ATOM 1543 CD LYS A 91 0.123 -18.296 -10.880 1.00 0.00 C ATOM 1544 CE LYS A 91 -0.547 -19.641 -11.177 1.00 0.00 C ATOM 1545 NZ LYS A 91 -1.486 -20.033 -10.094 1.00 0.00 N ATOM 0 H LYS A 91 1.730 -20.577 -13.941 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.141 -19.603 -13.893 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.295 -16.908 -13.818 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.338 -17.220 -13.266 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.942 -18.687 -11.953 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.688 -16.996 -11.569 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.584 -18.339 -9.893 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.641 -17.519 -10.842 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.086 -19.579 -12.122 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.216 -20.411 -11.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.922 -20.948 -10.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.966 -20.116 -9.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.228 -19.310 -9.999 1.00 0.00 H new ATOM 1559 N MET A 92 0.796 -18.320 -16.708 1.00 0.00 N ATOM 1560 CA MET A 92 0.318 -17.914 -18.045 1.00 0.00 C ATOM 1561 C MET A 92 -0.107 -19.091 -18.943 1.00 0.00 C ATOM 1562 O MET A 92 -0.843 -18.883 -19.909 1.00 0.00 O ATOM 1563 CB MET A 92 1.350 -17.001 -18.731 1.00 0.00 C ATOM 1564 CG MET A 92 2.595 -17.736 -19.240 1.00 0.00 C ATOM 1565 SD MET A 92 3.828 -16.641 -19.997 1.00 0.00 S ATOM 1566 CE MET A 92 4.990 -17.880 -20.634 1.00 0.00 C ATOM 0 H MET A 92 1.805 -18.459 -16.661 1.00 0.00 H new ATOM 0 HA MET A 92 -0.598 -17.345 -17.888 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.871 -16.496 -19.570 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.660 -16.228 -18.028 1.00 0.00 H new ATOM 0 HG2 MET A 92 3.057 -18.269 -18.409 1.00 0.00 H new ATOM 0 HG3 MET A 92 2.291 -18.486 -19.970 1.00 0.00 H new ATOM 0 HE1 MET A 92 5.818 -17.379 -21.135 1.00 0.00 H new ATOM 0 HE2 MET A 92 5.374 -18.478 -19.807 1.00 0.00 H new ATOM 0 HE3 MET A 92 4.477 -18.529 -21.343 1.00 0.00 H new ATOM 1576 N PHE A 93 0.331 -20.316 -18.622 1.00 0.00 N ATOM 1577 CA PHE A 93 -0.001 -21.548 -19.360 1.00 0.00 C ATOM 1578 C PHE A 93 -0.802 -22.582 -18.536 1.00 0.00 C ATOM 1579 O PHE A 93 -1.078 -23.683 -19.017 1.00 0.00 O ATOM 1580 CB PHE A 93 1.281 -22.136 -19.981 1.00 0.00 C ATOM 1581 CG PHE A 93 2.287 -22.738 -19.012 1.00 0.00 C ATOM 1582 CD1 PHE A 93 3.397 -21.984 -18.583 1.00 0.00 C ATOM 1583 CD2 PHE A 93 2.154 -24.074 -18.584 1.00 0.00 C ATOM 1584 CE1 PHE A 93 4.360 -22.561 -17.738 1.00 0.00 C ATOM 1585 CE2 PHE A 93 3.109 -24.645 -17.724 1.00 0.00 C ATOM 1586 CZ PHE A 93 4.215 -23.889 -17.302 1.00 0.00 C ATOM 0 H PHE A 93 0.941 -20.485 -17.822 1.00 0.00 H new ATOM 0 HA PHE A 93 -0.687 -21.275 -20.162 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.992 -22.906 -20.696 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.780 -21.348 -20.546 1.00 0.00 H new ATOM 0 HD1 PHE A 93 3.508 -20.959 -18.905 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.313 -24.663 -18.919 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.215 -21.982 -17.422 1.00 0.00 H new ATOM 0 HE2 PHE A 93 2.992 -25.665 -17.388 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.952 -24.327 -16.645 1.00 0.00 H new ATOM 1596 N GLU A 94 -1.175 -22.248 -17.297 1.00 0.00 N ATOM 1597 CA GLU A 94 -1.812 -23.158 -16.331 1.00 0.00 C ATOM 1598 C GLU A 94 -3.338 -22.957 -16.238 1.00 0.00 C ATOM 1599 O GLU A 94 -3.839 -21.836 -16.363 1.00 0.00 O ATOM 1600 CB GLU A 94 -1.159 -22.990 -14.949 1.00 0.00 C ATOM 1601 CG GLU A 94 0.339 -23.330 -14.950 1.00 0.00 C ATOM 1602 CD GLU A 94 0.925 -23.198 -13.535 1.00 0.00 C ATOM 1603 OE1 GLU A 94 0.973 -22.055 -13.022 1.00 0.00 O ATOM 1604 OE2 GLU A 94 1.353 -24.220 -12.944 1.00 0.00 O ATOM 0 H GLU A 94 -1.039 -21.308 -16.924 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.655 -24.175 -16.690 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.293 -21.962 -14.612 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.671 -23.630 -14.231 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.487 -24.346 -15.317 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.868 -22.664 -15.632 1.00 0.00 H new