USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 872 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 52 THR OG1 : rot -97:sc= 1.23 USER MOD Set 1.2: A 156 GLN : amide:sc= 2.51 K(o=3.7,f=-2.5) USER MOD Set 2.1: A 115 TYR OH : rot 170:sc= 0.321 USER MOD Set 2.2: A 143 THR OG1 : rot 123:sc= 1.39 USER MOD Set 3.1: A 131 LYS NZ :NH3+ 159:sc= 1.14 (180deg=0) USER MOD Set 3.2: A 133 GLN : amide:sc= 0.31 K(o=1.5,f=-5.7!) USER MOD Set 4.1: A 122 SER OG : rot 125:sc= 1.56 USER MOD Set 4.2: A 142 LYS NZ :NH3+ 145:sc= 2.11 (180deg=1.04) USER MOD Set 5.1: A 86 LYS NZ :NH3+ 171:sc= 1.3 (180deg=0) USER MOD Set 5.2: A 87 SER OG : rot -166:sc= 1.11 USER MOD Set 6.1: A 76 LYS NZ :NH3+ -156:sc= 2.3 (180deg=0.303) USER MOD Set 6.2: A 106 HIS : no HE2:sc= -3.91 K(o=-1.6,f=-18!) USER MOD Single : A 39 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.092) USER MOD Single : A 40 THR OG1 : rot -80:sc= 1.02 USER MOD Single : A 41 SER OG : rot -22:sc= 0.937 USER MOD Single : A 44 LYS NZ :NH3+ 168:sc= 1.3 (180deg=1.18) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.212 USER MOD Single : A 56 THR OG1 : rot -37:sc= 0.639 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -136:sc= 0.87 (180deg=0.268) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.319 USER MOD Single : A 77 GLN :FLIP amide:sc= -0.321 F(o=-1.4,f=-0.32) USER MOD Single : A 79 ASN : amide:sc= -0.135 K(o=-0.14,f=-4.8!) USER MOD Single : A 81 LYS NZ :NH3+ 164:sc= -0.795 (180deg=-2.58!) USER MOD Single : A 84 HIS : no HE2:sc= -0.959 X(o=-0.96,f=-0.9) USER MOD Single : A 91 ASN : amide:sc= 2.89 K(o=2.9,f=-6.4!) USER MOD Single : A 100 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.09) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 12:sc= 0.527 USER MOD Single : A 116 ASN : amide:sc=-0.00385 X(o=-0.0039,f=-0.045) USER MOD Single : A 117 GLN : amide:sc= 1.38 K(o=1.4,f=-0.1) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= -0.109 USER MOD Single : A 124 SER OG : rot 26:sc= 0.0353 USER MOD Single : A 138 SER OG : rot -5:sc= 0.36 USER MOD Single : A 145 ASN :FLIP amide:sc= 0.387 F(o=-0.26,f=0.39) USER MOD Single : A 149 HIS : no HE2:sc= 0.0768 K(o=0.077,f=-5.5!) USER MOD Single : A 155 LYS NZ :NH3+ 137:sc= 0.77 (180deg=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 560 N GLY A 37 -10.570 -14.870 -2.807 1.00 2.71 N ATOM 561 CA GLY A 37 -10.582 -13.876 -3.869 1.00 2.17 C ATOM 562 C GLY A 37 -11.971 -13.272 -4.070 1.00 2.06 C ATOM 563 O GLY A 37 -12.159 -12.085 -3.802 1.00 2.43 O ATOM 0 HA2 GLY A 37 -9.872 -13.083 -3.632 1.00 2.17 H new ATOM 0 HA3 GLY A 37 -10.248 -14.335 -4.799 1.00 2.17 H new ATOM 567 N GLU A 38 -12.918 -14.076 -4.571 1.00 2.04 N ATOM 568 CA GLU A 38 -14.292 -13.715 -4.917 1.00 2.05 C ATOM 569 C GLU A 38 -14.459 -12.248 -5.324 1.00 1.70 C ATOM 570 O GLU A 38 -14.298 -11.915 -6.500 1.00 1.59 O ATOM 571 CB GLU A 38 -15.258 -14.134 -3.791 1.00 2.37 C ATOM 572 CG GLU A 38 -15.917 -15.491 -4.074 1.00 3.24 C ATOM 573 CD GLU A 38 -17.180 -15.338 -4.918 1.00 4.61 C ATOM 574 OE1 GLU A 38 -17.186 -14.445 -5.796 1.00 5.66 O ATOM 575 OE2 GLU A 38 -18.153 -16.068 -4.642 1.00 5.27 O ATOM 0 H GLU A 38 -12.728 -15.061 -4.756 1.00 2.04 H new ATOM 0 HA GLU A 38 -14.553 -14.277 -5.814 1.00 2.05 H new ATOM 0 HB2 GLU A 38 -14.715 -14.185 -2.847 1.00 2.37 H new ATOM 0 HB3 GLU A 38 -16.030 -13.373 -3.674 1.00 2.37 H new ATOM 0 HG2 GLU A 38 -15.209 -16.139 -4.591 1.00 3.24 H new ATOM 0 HG3 GLU A 38 -16.166 -15.979 -3.132 1.00 3.24 H new ATOM 582 N HIS A 39 -14.784 -11.373 -4.369 1.00 1.65 N ATOM 583 CA HIS A 39 -15.209 -10.019 -4.614 1.00 1.61 C ATOM 584 C HIS A 39 -14.087 -9.218 -5.268 1.00 1.38 C ATOM 585 O HIS A 39 -14.369 -8.393 -6.135 1.00 1.44 O ATOM 586 CB HIS A 39 -15.686 -9.405 -3.302 1.00 1.89 C ATOM 587 CG HIS A 39 -16.913 -10.067 -2.727 1.00 2.72 C ATOM 588 ND1 HIS A 39 -18.208 -9.624 -2.875 1.00 3.84 N ATOM 589 CD2 HIS A 39 -16.946 -11.184 -1.935 1.00 3.65 C ATOM 590 CE1 HIS A 39 -19.002 -10.460 -2.182 1.00 4.46 C ATOM 591 NE2 HIS A 39 -18.280 -11.424 -1.593 1.00 4.38 N ATOM 0 H HIS A 39 -14.753 -11.608 -3.377 1.00 1.65 H new ATOM 0 HA HIS A 39 -16.044 -10.004 -5.314 1.00 1.61 H new ATOM 0 HB2 HIS A 39 -14.879 -9.461 -2.571 1.00 1.89 H new ATOM 0 HB3 HIS A 39 -15.897 -8.348 -3.463 1.00 1.89 H new ATOM 0 HD2 HIS A 39 -16.094 -11.774 -1.630 1.00 3.65 H new ATOM 0 HE1 HIS A 39 -20.076 -10.367 -2.110 1.00 4.46 H new ATOM 0 HE2 HIS A 39 -18.634 -12.183 -1.010 1.00 4.38 H new ATOM 599 N THR A 40 -12.828 -9.496 -4.911 1.00 1.32 N ATOM 600 CA THR A 40 -11.695 -8.879 -5.580 1.00 1.32 C ATOM 601 C THR A 40 -11.755 -9.210 -7.064 1.00 1.32 C ATOM 602 O THR A 40 -12.032 -8.352 -7.895 1.00 1.60 O ATOM 603 CB THR A 40 -10.362 -9.342 -4.972 1.00 1.55 C ATOM 604 OG1 THR A 40 -10.193 -10.741 -5.049 1.00 3.05 O ATOM 605 CG2 THR A 40 -10.271 -8.960 -3.506 1.00 2.56 C ATOM 0 H THR A 40 -12.576 -10.143 -4.164 1.00 1.32 H new ATOM 0 HA THR A 40 -11.750 -7.799 -5.444 1.00 1.32 H new ATOM 0 HB THR A 40 -9.585 -8.847 -5.555 1.00 1.55 H new ATOM 0 HG1 THR A 40 -10.704 -11.172 -4.332 1.00 3.05 H new ATOM 0 HG21 THR A 40 -9.318 -9.299 -3.100 1.00 2.56 H new ATOM 0 HG22 THR A 40 -10.342 -7.877 -3.407 1.00 2.56 H new ATOM 0 HG23 THR A 40 -11.087 -9.429 -2.956 1.00 2.56 H new ATOM 613 N SER A 41 -11.505 -10.478 -7.381 1.00 1.24 N ATOM 614 CA SER A 41 -11.487 -10.972 -8.749 1.00 1.29 C ATOM 615 C SER A 41 -12.690 -10.438 -9.542 1.00 1.16 C ATOM 616 O SER A 41 -12.521 -9.830 -10.599 1.00 1.13 O ATOM 617 CB SER A 41 -11.371 -12.500 -8.755 1.00 1.61 C ATOM 618 OG SER A 41 -12.479 -13.135 -8.136 1.00 3.60 O ATOM 0 H SER A 41 -11.307 -11.197 -6.685 1.00 1.24 H new ATOM 0 HA SER A 41 -10.605 -10.592 -9.264 1.00 1.29 H new ATOM 0 HB2 SER A 41 -11.285 -12.850 -9.784 1.00 1.61 H new ATOM 0 HB3 SER A 41 -10.456 -12.793 -8.241 1.00 1.61 H new ATOM 0 HG SER A 41 -12.918 -12.506 -7.526 1.00 3.60 H new ATOM 624 N PHE A 42 -13.886 -10.606 -8.972 1.00 1.31 N ATOM 625 CA PHE A 42 -15.169 -10.124 -9.466 1.00 1.56 C ATOM 626 C PHE A 42 -15.170 -8.623 -9.789 1.00 1.66 C ATOM 627 O PHE A 42 -15.719 -8.234 -10.819 1.00 1.94 O ATOM 628 CB PHE A 42 -16.231 -10.481 -8.418 1.00 1.83 C ATOM 629 CG PHE A 42 -17.634 -9.948 -8.638 1.00 1.99 C ATOM 630 CD1 PHE A 42 -18.272 -10.099 -9.882 1.00 2.54 C ATOM 631 CD2 PHE A 42 -18.294 -9.271 -7.593 1.00 2.71 C ATOM 632 CE1 PHE A 42 -19.535 -9.519 -10.100 1.00 2.76 C ATOM 633 CE2 PHE A 42 -19.569 -8.721 -7.802 1.00 2.91 C ATOM 634 CZ PHE A 42 -20.181 -8.824 -9.063 1.00 2.52 C ATOM 0 H PHE A 42 -13.985 -11.117 -8.095 1.00 1.31 H new ATOM 0 HA PHE A 42 -15.389 -10.609 -10.417 1.00 1.56 H new ATOM 0 HB2 PHE A 42 -16.289 -11.568 -8.354 1.00 1.83 H new ATOM 0 HB3 PHE A 42 -15.882 -10.123 -7.449 1.00 1.83 H new ATOM 0 HD1 PHE A 42 -17.792 -10.660 -10.670 1.00 2.54 H new ATOM 0 HD2 PHE A 42 -17.818 -9.175 -6.628 1.00 2.71 H new ATOM 0 HE1 PHE A 42 -20.009 -9.608 -11.066 1.00 2.76 H new ATOM 0 HE2 PHE A 42 -20.079 -8.219 -6.994 1.00 2.91 H new ATOM 0 HZ PHE A 42 -21.146 -8.370 -9.235 1.00 2.52 H new ATOM 644 N ASP A 43 -14.558 -7.775 -8.950 1.00 1.64 N ATOM 645 CA ASP A 43 -14.437 -6.341 -9.233 1.00 1.99 C ATOM 646 C ASP A 43 -13.661 -6.066 -10.530 1.00 2.24 C ATOM 647 O ASP A 43 -13.804 -4.987 -11.097 1.00 3.11 O ATOM 648 CB ASP A 43 -13.812 -5.598 -8.044 1.00 2.17 C ATOM 649 CG ASP A 43 -13.860 -4.087 -8.244 1.00 2.40 C ATOM 650 OD1 ASP A 43 -12.778 -3.498 -8.465 1.00 3.64 O ATOM 651 OD2 ASP A 43 -14.984 -3.543 -8.159 1.00 2.59 O ATOM 0 H ASP A 43 -14.138 -8.061 -8.066 1.00 1.64 H new ATOM 0 HA ASP A 43 -15.446 -5.958 -9.383 1.00 1.99 H new ATOM 0 HB2 ASP A 43 -14.342 -5.862 -7.129 1.00 2.17 H new ATOM 0 HB3 ASP A 43 -12.777 -5.917 -7.917 1.00 2.17 H new ATOM 656 N LYS A 44 -12.899 -7.062 -11.009 1.00 1.75 N ATOM 657 CA LYS A 44 -12.218 -7.194 -12.300 1.00 1.95 C ATOM 658 C LYS A 44 -10.710 -7.183 -12.091 1.00 2.22 C ATOM 659 O LYS A 44 -9.989 -6.339 -12.620 1.00 2.68 O ATOM 660 CB LYS A 44 -12.695 -6.228 -13.394 1.00 2.13 C ATOM 661 CG LYS A 44 -14.156 -6.540 -13.758 1.00 2.11 C ATOM 662 CD LYS A 44 -14.964 -5.275 -14.069 1.00 2.35 C ATOM 663 CE LYS A 44 -14.400 -4.496 -15.263 1.00 3.29 C ATOM 664 NZ LYS A 44 -14.942 -3.125 -15.298 1.00 3.78 N ATOM 0 H LYS A 44 -12.728 -7.886 -10.433 1.00 1.75 H new ATOM 0 HA LYS A 44 -12.505 -8.163 -12.708 1.00 1.95 H new ATOM 0 HB2 LYS A 44 -12.608 -5.198 -13.047 1.00 2.13 H new ATOM 0 HB3 LYS A 44 -12.062 -6.321 -14.277 1.00 2.13 H new ATOM 0 HG2 LYS A 44 -14.178 -7.204 -14.622 1.00 2.11 H new ATOM 0 HG3 LYS A 44 -14.627 -7.075 -12.933 1.00 2.11 H new ATOM 0 HD2 LYS A 44 -15.998 -5.550 -14.275 1.00 2.35 H new ATOM 0 HD3 LYS A 44 -14.975 -4.630 -13.191 1.00 2.35 H new ATOM 0 HE2 LYS A 44 -13.313 -4.460 -15.198 1.00 3.29 H new ATOM 0 HE3 LYS A 44 -14.647 -5.013 -16.190 1.00 3.29 H new ATOM 0 HZ1 LYS A 44 -14.403 -2.556 -15.981 1.00 3.78 H new ATOM 0 HZ2 LYS A 44 -15.941 -3.154 -15.584 1.00 3.78 H new ATOM 0 HZ3 LYS A 44 -14.865 -2.697 -14.353 1.00 3.78 H new ATOM 678 N LEU A 45 -10.252 -8.176 -11.331 1.00 2.13 N ATOM 679 CA LEU A 45 -8.848 -8.472 -11.102 1.00 2.47 C ATOM 680 C LEU A 45 -8.551 -9.884 -11.635 1.00 2.35 C ATOM 681 O LEU A 45 -8.928 -10.861 -10.992 1.00 2.95 O ATOM 682 CB LEU A 45 -8.509 -8.314 -9.610 1.00 2.80 C ATOM 683 CG LEU A 45 -8.506 -6.839 -9.164 1.00 2.82 C ATOM 684 CD1 LEU A 45 -9.842 -6.375 -8.580 1.00 2.18 C ATOM 685 CD2 LEU A 45 -7.428 -6.639 -8.093 1.00 4.35 C ATOM 0 H LEU A 45 -10.876 -8.818 -10.842 1.00 2.13 H new ATOM 0 HA LEU A 45 -8.212 -7.768 -11.638 1.00 2.47 H new ATOM 0 HB2 LEU A 45 -9.233 -8.870 -9.014 1.00 2.80 H new ATOM 0 HB3 LEU A 45 -7.531 -8.753 -9.414 1.00 2.80 H new ATOM 0 HG LEU A 45 -8.312 -6.247 -10.058 1.00 2.82 H new ATOM 0 HD11 LEU A 45 -9.767 -5.328 -8.287 1.00 2.18 H new ATOM 0 HD12 LEU A 45 -10.625 -6.487 -9.330 1.00 2.18 H new ATOM 0 HD13 LEU A 45 -10.087 -6.979 -7.706 1.00 2.18 H new ATOM 0 HD21 LEU A 45 -7.421 -5.597 -7.774 1.00 4.35 H new ATOM 0 HD22 LEU A 45 -7.642 -7.279 -7.237 1.00 4.35 H new ATOM 0 HD23 LEU A 45 -6.453 -6.898 -8.505 1.00 4.35 H new ATOM 697 N PRO A 46 -7.929 -10.014 -12.822 1.00 1.85 N ATOM 698 CA PRO A 46 -7.677 -11.306 -13.454 1.00 1.95 C ATOM 699 C PRO A 46 -6.438 -11.985 -12.861 1.00 1.94 C ATOM 700 O PRO A 46 -5.846 -11.497 -11.904 1.00 1.98 O ATOM 701 CB PRO A 46 -7.469 -10.965 -14.933 1.00 1.97 C ATOM 702 CG PRO A 46 -6.818 -9.585 -14.887 1.00 1.82 C ATOM 703 CD PRO A 46 -7.524 -8.927 -13.704 1.00 1.71 C ATOM 0 HA PRO A 46 -8.495 -12.010 -13.300 1.00 1.95 H new ATOM 0 HB2 PRO A 46 -6.829 -11.695 -15.428 1.00 1.97 H new ATOM 0 HB3 PRO A 46 -8.413 -10.947 -15.478 1.00 1.97 H new ATOM 0 HG2 PRO A 46 -5.741 -9.649 -14.732 1.00 1.82 H new ATOM 0 HG3 PRO A 46 -6.975 -9.031 -15.813 1.00 1.82 H new ATOM 0 HD2 PRO A 46 -6.859 -8.234 -13.189 1.00 1.71 H new ATOM 0 HD3 PRO A 46 -8.388 -8.352 -14.036 1.00 1.71 H new ATOM 711 N GLU A 47 -5.972 -13.067 -13.487 1.00 2.42 N ATOM 712 CA GLU A 47 -4.729 -13.751 -13.144 1.00 2.79 C ATOM 713 C GLU A 47 -3.488 -12.976 -13.639 1.00 2.21 C ATOM 714 O GLU A 47 -2.529 -13.558 -14.137 1.00 2.92 O ATOM 715 CB GLU A 47 -4.794 -15.193 -13.682 1.00 3.71 C ATOM 716 CG GLU A 47 -5.202 -15.295 -15.165 1.00 3.96 C ATOM 717 CD GLU A 47 -4.977 -16.696 -15.721 1.00 5.06 C ATOM 718 OE1 GLU A 47 -4.722 -16.782 -16.941 1.00 5.66 O ATOM 719 OE2 GLU A 47 -5.084 -17.651 -14.922 1.00 5.80 O ATOM 0 H GLU A 47 -6.464 -13.502 -14.268 1.00 2.42 H new ATOM 0 HA GLU A 47 -4.621 -13.792 -12.060 1.00 2.79 H new ATOM 0 HB2 GLU A 47 -3.819 -15.662 -13.552 1.00 3.71 H new ATOM 0 HB3 GLU A 47 -5.504 -15.762 -13.081 1.00 3.71 H new ATOM 0 HG2 GLU A 47 -6.253 -15.027 -15.272 1.00 3.96 H new ATOM 0 HG3 GLU A 47 -4.628 -14.576 -15.750 1.00 3.96 H new ATOM 726 N GLY A 48 -3.497 -11.646 -13.506 1.00 1.51 N ATOM 727 CA GLY A 48 -2.454 -10.761 -14.000 1.00 1.45 C ATOM 728 C GLY A 48 -1.381 -10.503 -12.939 1.00 1.07 C ATOM 729 O GLY A 48 -1.661 -10.506 -11.743 1.00 2.19 O ATOM 0 H GLY A 48 -4.254 -11.148 -13.038 1.00 1.51 H new ATOM 0 HA2 GLY A 48 -1.993 -11.200 -14.885 1.00 1.45 H new ATOM 0 HA3 GLY A 48 -2.896 -9.814 -14.308 1.00 1.45 H new ATOM 733 N GLY A 49 -0.156 -10.235 -13.394 1.00 1.02 N ATOM 734 CA GLY A 49 1.039 -10.162 -12.555 1.00 1.05 C ATOM 735 C GLY A 49 1.306 -8.788 -11.927 1.00 1.03 C ATOM 736 O GLY A 49 1.816 -8.708 -10.818 1.00 1.62 O ATOM 0 H GLY A 49 0.036 -10.059 -14.380 1.00 1.02 H new ATOM 0 HA2 GLY A 49 0.950 -10.899 -11.757 1.00 1.05 H new ATOM 0 HA3 GLY A 49 1.904 -10.445 -13.155 1.00 1.05 H new ATOM 740 N ARG A 50 1.033 -7.689 -12.627 1.00 0.77 N ATOM 741 CA ARG A 50 1.281 -6.331 -12.144 1.00 0.76 C ATOM 742 C ARG A 50 0.180 -5.425 -12.690 1.00 0.93 C ATOM 743 O ARG A 50 0.105 -5.229 -13.901 1.00 1.37 O ATOM 744 CB ARG A 50 2.672 -5.814 -12.574 1.00 0.86 C ATOM 745 CG ARG A 50 3.751 -5.920 -11.479 1.00 2.15 C ATOM 746 CD ARG A 50 4.555 -7.231 -11.509 1.00 2.87 C ATOM 747 NE ARG A 50 5.305 -7.466 -10.258 1.00 3.94 N ATOM 748 CZ ARG A 50 4.766 -7.825 -9.076 1.00 5.15 C ATOM 749 NH1 ARG A 50 3.448 -7.864 -8.921 1.00 5.83 N ATOM 750 NH2 ARG A 50 5.547 -8.137 -8.037 1.00 6.39 N ATOM 0 H ARG A 50 0.626 -7.717 -13.562 1.00 0.77 H new ATOM 0 HA ARG A 50 1.270 -6.330 -11.054 1.00 0.76 H new ATOM 0 HB2 ARG A 50 3.001 -6.375 -13.449 1.00 0.86 H new ATOM 0 HB3 ARG A 50 2.581 -4.772 -12.880 1.00 0.86 H new ATOM 0 HG2 ARG A 50 4.440 -5.082 -11.582 1.00 2.15 H new ATOM 0 HG3 ARG A 50 3.274 -5.822 -10.504 1.00 2.15 H new ATOM 0 HD2 ARG A 50 3.876 -8.066 -11.683 1.00 2.87 H new ATOM 0 HD3 ARG A 50 5.252 -7.207 -12.347 1.00 2.87 H new ATOM 0 HE ARG A 50 6.317 -7.346 -10.292 1.00 3.94 H new ATOM 0 HH11 ARG A 50 2.836 -7.621 -9.700 1.00 5.83 H new ATOM 0 HH12 ARG A 50 3.048 -8.137 -8.023 1.00 5.83 H new ATOM 0 HH21 ARG A 50 6.562 -8.105 -8.134 1.00 6.39 H new ATOM 0 HH22 ARG A 50 5.128 -8.407 -7.147 1.00 6.39 H new ATOM 764 N ALA A 51 -0.665 -4.875 -11.813 1.00 1.00 N ATOM 765 CA ALA A 51 -1.590 -3.819 -12.204 1.00 1.14 C ATOM 766 C ALA A 51 -0.884 -2.466 -12.268 1.00 0.89 C ATOM 767 O ALA A 51 0.286 -2.342 -11.915 1.00 1.05 O ATOM 768 CB ALA A 51 -2.781 -3.737 -11.250 1.00 1.62 C ATOM 0 H ALA A 51 -0.724 -5.146 -10.831 1.00 1.00 H new ATOM 0 HA ALA A 51 -1.961 -4.070 -13.198 1.00 1.14 H new ATOM 0 HB1 ALA A 51 -3.450 -2.939 -11.571 1.00 1.62 H new ATOM 0 HB2 ALA A 51 -3.318 -4.686 -11.256 1.00 1.62 H new ATOM 0 HB3 ALA A 51 -2.425 -3.528 -10.241 1.00 1.62 H new ATOM 774 N THR A 52 -1.630 -1.453 -12.707 1.00 0.93 N ATOM 775 CA THR A 52 -1.168 -0.095 -12.931 1.00 0.91 C ATOM 776 C THR A 52 -1.758 0.819 -11.853 1.00 1.10 C ATOM 777 O THR A 52 -2.963 0.782 -11.619 1.00 1.74 O ATOM 778 CB THR A 52 -1.574 0.318 -14.360 1.00 1.17 C ATOM 779 OG1 THR A 52 -1.274 1.677 -14.587 1.00 1.42 O ATOM 780 CG2 THR A 52 -3.048 0.032 -14.707 1.00 1.39 C ATOM 0 H THR A 52 -2.620 -1.569 -12.925 1.00 0.93 H new ATOM 0 HA THR A 52 -0.084 -0.016 -12.854 1.00 0.91 H new ATOM 0 HB THR A 52 -0.982 -0.310 -15.026 1.00 1.17 H new ATOM 0 HG1 THR A 52 -2.080 2.217 -14.449 1.00 1.42 H new ATOM 0 HG21 THR A 52 -3.250 0.352 -15.729 1.00 1.39 H new ATOM 0 HG22 THR A 52 -3.242 -1.037 -14.617 1.00 1.39 H new ATOM 0 HG23 THR A 52 -3.696 0.578 -14.021 1.00 1.39 H new ATOM 788 N TYR A 53 -0.917 1.627 -11.195 1.00 1.49 N ATOM 789 CA TYR A 53 -1.332 2.737 -10.338 1.00 1.97 C ATOM 790 C TYR A 53 -0.300 3.861 -10.435 1.00 2.10 C ATOM 791 O TYR A 53 0.799 3.645 -10.940 1.00 2.96 O ATOM 792 CB TYR A 53 -1.492 2.304 -8.874 1.00 2.17 C ATOM 793 CG TYR A 53 -2.541 1.239 -8.660 1.00 2.25 C ATOM 794 CD1 TYR A 53 -3.907 1.558 -8.786 1.00 3.56 C ATOM 795 CD2 TYR A 53 -2.143 -0.100 -8.507 1.00 2.34 C ATOM 796 CE1 TYR A 53 -4.869 0.533 -8.792 1.00 4.06 C ATOM 797 CE2 TYR A 53 -3.109 -1.116 -8.498 1.00 2.94 C ATOM 798 CZ TYR A 53 -4.464 -0.805 -8.660 1.00 3.49 C ATOM 799 OH TYR A 53 -5.383 -1.810 -8.674 1.00 4.30 O ATOM 0 H TYR A 53 0.096 1.521 -11.247 1.00 1.49 H new ATOM 0 HA TYR A 53 -2.305 3.085 -10.684 1.00 1.97 H new ATOM 0 HB2 TYR A 53 -0.534 1.935 -8.508 1.00 2.17 H new ATOM 0 HB3 TYR A 53 -1.747 3.177 -8.273 1.00 2.17 H new ATOM 0 HD1 TYR A 53 -4.215 2.589 -8.878 1.00 3.56 H new ATOM 0 HD2 TYR A 53 -1.097 -0.345 -8.397 1.00 2.34 H new ATOM 0 HE1 TYR A 53 -5.916 0.774 -8.898 1.00 4.06 H new ATOM 0 HE2 TYR A 53 -2.806 -2.144 -8.365 1.00 2.94 H new ATOM 0 HH TYR A 53 -4.927 -2.672 -8.572 1.00 4.30 H new ATOM 809 N ARG A 54 -0.632 5.039 -9.901 1.00 1.52 N ATOM 810 CA ARG A 54 0.333 6.040 -9.473 1.00 1.29 C ATOM 811 C ARG A 54 -0.198 6.573 -8.146 1.00 1.00 C ATOM 812 O ARG A 54 -1.406 6.798 -8.035 1.00 1.10 O ATOM 813 CB ARG A 54 0.470 7.173 -10.500 1.00 1.60 C ATOM 814 CG ARG A 54 0.950 6.659 -11.864 1.00 1.79 C ATOM 815 CD ARG A 54 1.466 7.794 -12.757 1.00 2.51 C ATOM 816 NE ARG A 54 0.401 8.740 -13.145 1.00 3.90 N ATOM 817 CZ ARG A 54 0.588 9.899 -13.795 1.00 4.87 C ATOM 818 NH1 ARG A 54 1.823 10.297 -14.122 1.00 4.69 N ATOM 819 NH2 ARG A 54 -0.469 10.645 -14.119 1.00 6.35 N ATOM 0 H ARG A 54 -1.600 5.324 -9.753 1.00 1.52 H new ATOM 0 HA ARG A 54 1.329 5.609 -9.372 1.00 1.29 H new ATOM 0 HB2 ARG A 54 -0.492 7.672 -10.619 1.00 1.60 H new ATOM 0 HB3 ARG A 54 1.172 7.918 -10.126 1.00 1.60 H new ATOM 0 HG2 ARG A 54 1.742 5.925 -11.716 1.00 1.79 H new ATOM 0 HG3 ARG A 54 0.130 6.146 -12.367 1.00 1.79 H new ATOM 0 HD2 ARG A 54 2.254 8.335 -12.232 1.00 2.51 H new ATOM 0 HD3 ARG A 54 1.915 7.369 -13.655 1.00 2.51 H new ATOM 0 HE ARG A 54 -0.557 8.492 -12.898 1.00 3.90 H new ATOM 0 HH11 ARG A 54 2.627 9.719 -13.877 1.00 4.69 H new ATOM 0 HH12 ARG A 54 1.961 11.179 -14.616 1.00 4.69 H new ATOM 0 HH21 ARG A 54 -1.408 10.333 -13.873 1.00 6.35 H new ATOM 0 HH22 ARG A 54 -0.338 11.528 -14.613 1.00 6.35 H new ATOM 833 N GLY A 55 0.652 6.736 -7.127 1.00 0.96 N ATOM 834 CA GLY A 55 0.163 7.204 -5.850 1.00 0.76 C ATOM 835 C GLY A 55 1.259 7.583 -4.873 1.00 0.54 C ATOM 836 O GLY A 55 2.452 7.442 -5.146 1.00 0.59 O ATOM 0 H GLY A 55 1.655 6.553 -7.169 1.00 0.96 H new ATOM 0 HA2 GLY A 55 -0.480 8.069 -6.013 1.00 0.76 H new ATOM 0 HA3 GLY A 55 -0.456 6.427 -5.402 1.00 0.76 H new ATOM 840 N THR A 56 0.806 8.103 -3.736 1.00 0.50 N ATOM 841 CA THR A 56 1.598 8.753 -2.717 1.00 0.60 C ATOM 842 C THR A 56 1.165 8.214 -1.359 1.00 0.54 C ATOM 843 O THR A 56 -0.018 7.954 -1.142 1.00 0.69 O ATOM 844 CB THR A 56 1.376 10.271 -2.800 1.00 0.87 C ATOM 845 OG1 THR A 56 0.001 10.599 -2.687 1.00 2.14 O ATOM 846 CG2 THR A 56 1.913 10.846 -4.114 1.00 1.51 C ATOM 0 H THR A 56 -0.185 8.076 -3.495 1.00 0.50 H new ATOM 0 HA THR A 56 2.660 8.552 -2.860 1.00 0.60 H new ATOM 0 HB THR A 56 1.923 10.710 -1.966 1.00 0.87 H new ATOM 0 HG1 THR A 56 -0.536 9.925 -3.154 1.00 2.14 H new ATOM 0 HG21 THR A 56 1.739 11.922 -4.138 1.00 1.51 H new ATOM 0 HG22 THR A 56 2.983 10.650 -4.187 1.00 1.51 H new ATOM 0 HG23 THR A 56 1.400 10.376 -4.953 1.00 1.51 H new ATOM 854 N ALA A 57 2.137 8.049 -0.466 1.00 0.59 N ATOM 855 CA ALA A 57 1.979 7.754 0.944 1.00 0.61 C ATOM 856 C ALA A 57 2.612 8.918 1.705 1.00 0.66 C ATOM 857 O ALA A 57 3.680 8.773 2.300 1.00 0.93 O ATOM 858 CB ALA A 57 2.678 6.428 1.246 1.00 0.63 C ATOM 0 H ALA A 57 3.119 8.124 -0.732 1.00 0.59 H new ATOM 0 HA ALA A 57 0.935 7.649 1.239 1.00 0.61 H new ATOM 0 HB1 ALA A 57 2.568 6.192 2.304 1.00 0.63 H new ATOM 0 HB2 ALA A 57 2.228 5.635 0.648 1.00 0.63 H new ATOM 0 HB3 ALA A 57 3.737 6.511 1.001 1.00 0.63 H new ATOM 864 N PHE A 58 1.970 10.086 1.625 1.00 0.63 N ATOM 865 CA PHE A 58 2.491 11.334 2.178 1.00 0.72 C ATOM 866 C PHE A 58 2.174 11.410 3.664 1.00 0.67 C ATOM 867 O PHE A 58 1.135 10.931 4.107 1.00 0.64 O ATOM 868 CB PHE A 58 1.989 12.544 1.387 1.00 0.96 C ATOM 869 CG PHE A 58 0.515 12.863 1.545 1.00 1.06 C ATOM 870 CD1 PHE A 58 -0.437 12.345 0.647 1.00 2.03 C ATOM 871 CD2 PHE A 58 0.102 13.708 2.591 1.00 2.00 C ATOM 872 CE1 PHE A 58 -1.798 12.661 0.809 1.00 2.26 C ATOM 873 CE2 PHE A 58 -1.259 14.004 2.767 1.00 2.08 C ATOM 874 CZ PHE A 58 -2.210 13.489 1.869 1.00 1.56 C ATOM 0 H PHE A 58 1.064 10.191 1.169 1.00 0.63 H new ATOM 0 HA PHE A 58 3.576 11.350 2.079 1.00 0.72 H new ATOM 0 HB2 PHE A 58 2.566 13.418 1.689 1.00 0.96 H new ATOM 0 HB3 PHE A 58 2.195 12.376 0.330 1.00 0.96 H new ATOM 0 HD1 PHE A 58 -0.123 11.706 -0.165 1.00 2.03 H new ATOM 0 HD2 PHE A 58 0.835 14.131 3.262 1.00 2.00 H new ATOM 0 HE1 PHE A 58 -2.528 12.267 0.118 1.00 2.26 H new ATOM 0 HE2 PHE A 58 -1.575 14.626 3.591 1.00 2.08 H new ATOM 0 HZ PHE A 58 -3.256 13.729 1.993 1.00 1.56 H new ATOM 884 N GLY A 59 3.075 11.993 4.447 1.00 0.75 N ATOM 885 CA GLY A 59 2.890 12.087 5.886 1.00 0.86 C ATOM 886 C GLY A 59 1.906 13.212 6.200 1.00 1.00 C ATOM 887 O GLY A 59 1.884 14.222 5.501 1.00 1.08 O ATOM 0 H GLY A 59 3.942 12.408 4.106 1.00 0.75 H new ATOM 0 HA2 GLY A 59 2.515 11.141 6.278 1.00 0.86 H new ATOM 0 HA3 GLY A 59 3.845 12.278 6.375 1.00 0.86 H new ATOM 891 N SER A 60 1.143 13.114 7.294 1.00 1.25 N ATOM 892 CA SER A 60 0.452 14.290 7.820 1.00 1.51 C ATOM 893 C SER A 60 1.440 15.436 8.094 1.00 1.33 C ATOM 894 O SER A 60 1.018 16.589 8.125 1.00 1.48 O ATOM 895 CB SER A 60 -0.337 13.945 9.088 1.00 1.96 C ATOM 896 OG SER A 60 -1.098 15.058 9.519 1.00 2.66 O ATOM 0 H SER A 60 0.992 12.253 7.820 1.00 1.25 H new ATOM 0 HA SER A 60 -0.254 14.624 7.060 1.00 1.51 H new ATOM 0 HB2 SER A 60 -0.997 13.100 8.894 1.00 1.96 H new ATOM 0 HB3 SER A 60 0.349 13.639 9.878 1.00 1.96 H new ATOM 0 HG SER A 60 -1.596 14.820 10.328 1.00 2.66 H new ATOM 902 N ASP A 61 2.721 15.111 8.315 1.00 1.18 N ATOM 903 CA ASP A 61 3.818 16.061 8.471 1.00 1.22 C ATOM 904 C ASP A 61 4.733 16.033 7.231 1.00 1.01 C ATOM 905 O ASP A 61 5.934 16.251 7.344 1.00 1.28 O ATOM 906 CB ASP A 61 4.584 15.650 9.741 1.00 1.70 C ATOM 907 CG ASP A 61 5.600 16.689 10.201 1.00 2.08 C ATOM 908 OD1 ASP A 61 6.677 16.252 10.661 1.00 2.31 O ATOM 909 OD2 ASP A 61 5.259 17.889 10.144 1.00 3.04 O ATOM 0 H ASP A 61 3.028 14.141 8.392 1.00 1.18 H new ATOM 0 HA ASP A 61 3.448 17.082 8.565 1.00 1.22 H new ATOM 0 HB2 ASP A 61 3.870 15.471 10.545 1.00 1.70 H new ATOM 0 HB3 ASP A 61 5.099 14.707 9.556 1.00 1.70 H new ATOM 914 N ASP A 62 4.180 15.665 6.062 1.00 0.98 N ATOM 915 CA ASP A 62 4.873 15.025 4.958 1.00 1.02 C ATOM 916 C ASP A 62 6.376 14.799 5.066 1.00 1.14 C ATOM 917 O ASP A 62 7.185 15.470 4.427 1.00 1.47 O ATOM 918 CB ASP A 62 4.434 15.501 3.572 1.00 1.16 C ATOM 919 CG ASP A 62 4.821 14.455 2.529 1.00 1.91 C ATOM 920 OD1 ASP A 62 5.022 13.285 2.938 1.00 2.95 O ATOM 921 OD2 ASP A 62 4.842 14.813 1.334 1.00 2.46 O ATOM 0 H ASP A 62 3.191 15.818 5.864 1.00 0.98 H new ATOM 0 HA ASP A 62 4.499 14.009 5.084 1.00 1.02 H new ATOM 0 HB2 ASP A 62 3.356 15.665 3.556 1.00 1.16 H new ATOM 0 HB3 ASP A 62 4.905 16.456 3.337 1.00 1.16 H new ATOM 926 N ALA A 63 6.711 13.737 5.797 1.00 0.98 N ATOM 927 CA ALA A 63 7.938 12.997 5.594 1.00 1.01 C ATOM 928 C ALA A 63 7.534 11.599 5.130 1.00 0.85 C ATOM 929 O ALA A 63 7.947 10.597 5.707 1.00 0.90 O ATOM 930 CB ALA A 63 8.655 12.956 6.938 1.00 1.14 C ATOM 0 H ALA A 63 6.129 13.370 6.550 1.00 0.98 H new ATOM 0 HA ALA A 63 8.601 13.442 4.852 1.00 1.01 H new ATOM 0 HB1 ALA A 63 9.590 12.406 6.835 1.00 1.14 H new ATOM 0 HB2 ALA A 63 8.867 13.973 7.269 1.00 1.14 H new ATOM 0 HB3 ALA A 63 8.021 12.460 7.673 1.00 1.14 H new ATOM 936 N GLY A 64 6.735 11.550 4.067 1.00 0.81 N ATOM 937 CA GLY A 64 6.150 10.350 3.509 1.00 0.73 C ATOM 938 C GLY A 64 6.844 9.987 2.196 1.00 0.74 C ATOM 939 O GLY A 64 7.819 10.626 1.802 1.00 1.13 O ATOM 0 H GLY A 64 6.470 12.390 3.552 1.00 0.81 H new ATOM 0 HA2 GLY A 64 6.243 9.527 4.218 1.00 0.73 H new ATOM 0 HA3 GLY A 64 5.085 10.502 3.336 1.00 0.73 H new ATOM 943 N GLY A 65 6.401 8.896 1.571 1.00 0.67 N ATOM 944 CA GLY A 65 7.026 8.291 0.404 1.00 0.71 C ATOM 945 C GLY A 65 6.018 8.108 -0.725 1.00 0.58 C ATOM 946 O GLY A 65 4.849 8.464 -0.601 1.00 0.71 O ATOM 0 H GLY A 65 5.567 8.395 1.878 1.00 0.67 H new ATOM 0 HA2 GLY A 65 7.849 8.918 0.062 1.00 0.71 H new ATOM 0 HA3 GLY A 65 7.452 7.325 0.675 1.00 0.71 H new ATOM 950 N LYS A 66 6.478 7.563 -1.849 1.00 0.58 N ATOM 951 CA LYS A 66 5.619 7.229 -2.979 1.00 0.61 C ATOM 952 C LYS A 66 4.858 5.936 -2.677 1.00 0.83 C ATOM 953 O LYS A 66 5.222 5.206 -1.757 1.00 1.49 O ATOM 954 CB LYS A 66 6.508 6.971 -4.201 1.00 0.92 C ATOM 955 CG LYS A 66 7.273 8.222 -4.634 1.00 1.21 C ATOM 956 CD LYS A 66 8.365 7.887 -5.667 1.00 1.85 C ATOM 957 CE LYS A 66 9.642 7.286 -5.045 1.00 2.39 C ATOM 958 NZ LYS A 66 9.676 5.808 -4.957 1.00 3.84 N ATOM 0 H LYS A 66 7.462 7.340 -2.001 1.00 0.58 H new ATOM 0 HA LYS A 66 4.920 8.045 -3.161 1.00 0.61 H new ATOM 0 HB2 LYS A 66 7.217 6.175 -3.971 1.00 0.92 H new ATOM 0 HB3 LYS A 66 5.892 6.620 -5.029 1.00 0.92 H new ATOM 0 HG2 LYS A 66 6.578 8.946 -5.060 1.00 1.21 H new ATOM 0 HG3 LYS A 66 7.728 8.692 -3.762 1.00 1.21 H new ATOM 0 HD2 LYS A 66 7.961 7.184 -6.395 1.00 1.85 H new ATOM 0 HD3 LYS A 66 8.629 8.794 -6.211 1.00 1.85 H new ATOM 0 HE2 LYS A 66 10.500 7.617 -5.630 1.00 2.39 H new ATOM 0 HE3 LYS A 66 9.763 7.695 -4.042 1.00 2.39 H new ATOM 0 HZ1 LYS A 66 10.037 5.524 -4.024 1.00 3.84 H new ATOM 0 HZ2 LYS A 66 8.716 5.430 -5.086 1.00 3.84 H new ATOM 0 HZ3 LYS A 66 10.299 5.430 -5.699 1.00 3.84 H new ATOM 972 N LEU A 67 3.863 5.613 -3.507 1.00 0.57 N ATOM 973 CA LEU A 67 3.387 4.248 -3.663 1.00 0.59 C ATOM 974 C LEU A 67 3.580 3.856 -5.127 1.00 0.69 C ATOM 975 O LEU A 67 2.835 4.303 -6.000 1.00 0.98 O ATOM 976 CB LEU A 67 1.921 4.116 -3.227 1.00 0.61 C ATOM 977 CG LEU A 67 1.493 2.636 -3.202 1.00 0.62 C ATOM 978 CD1 LEU A 67 1.975 1.940 -1.923 1.00 0.69 C ATOM 979 CD2 LEU A 67 -0.031 2.526 -3.290 1.00 0.71 C ATOM 0 H LEU A 67 3.370 6.293 -4.086 1.00 0.57 H new ATOM 0 HA LEU A 67 3.954 3.573 -3.022 1.00 0.59 H new ATOM 0 HB2 LEU A 67 1.789 4.555 -2.238 1.00 0.61 H new ATOM 0 HB3 LEU A 67 1.281 4.674 -3.911 1.00 0.61 H new ATOM 0 HG LEU A 67 1.949 2.144 -4.061 1.00 0.62 H new ATOM 0 HD11 LEU A 67 1.658 0.897 -1.935 1.00 0.69 H new ATOM 0 HD12 LEU A 67 3.063 1.988 -1.871 1.00 0.69 H new ATOM 0 HD13 LEU A 67 1.548 2.440 -1.054 1.00 0.69 H new ATOM 0 HD21 LEU A 67 -0.322 1.476 -3.271 1.00 0.71 H new ATOM 0 HD22 LEU A 67 -0.483 3.042 -2.443 1.00 0.71 H new ATOM 0 HD23 LEU A 67 -0.376 2.981 -4.218 1.00 0.71 H new ATOM 991 N THR A 68 4.586 3.024 -5.397 1.00 0.68 N ATOM 992 CA THR A 68 4.829 2.485 -6.726 1.00 0.78 C ATOM 993 C THR A 68 3.853 1.337 -6.990 1.00 0.82 C ATOM 994 O THR A 68 3.420 0.652 -6.064 1.00 0.99 O ATOM 995 CB THR A 68 6.301 2.059 -6.824 1.00 0.94 C ATOM 996 OG1 THR A 68 7.106 3.128 -6.356 1.00 2.24 O ATOM 997 CG2 THR A 68 6.709 1.736 -8.265 1.00 1.72 C ATOM 0 H THR A 68 5.255 2.707 -4.695 1.00 0.68 H new ATOM 0 HA THR A 68 4.654 3.234 -7.498 1.00 0.78 H new ATOM 0 HB THR A 68 6.438 1.159 -6.225 1.00 0.94 H new ATOM 0 HG1 THR A 68 8.051 2.874 -6.409 1.00 2.24 H new ATOM 0 HG21 THR A 68 7.758 1.439 -8.288 1.00 1.72 H new ATOM 0 HG22 THR A 68 6.093 0.921 -8.644 1.00 1.72 H new ATOM 0 HG23 THR A 68 6.567 2.618 -8.890 1.00 1.72 H new ATOM 1005 N TYR A 69 3.475 1.144 -8.255 1.00 0.78 N ATOM 1006 CA TYR A 69 2.456 0.180 -8.622 1.00 0.76 C ATOM 1007 C TYR A 69 3.056 -1.221 -8.614 1.00 0.71 C ATOM 1008 O TYR A 69 3.967 -1.525 -9.382 1.00 0.77 O ATOM 1009 CB TYR A 69 1.844 0.547 -9.975 1.00 0.78 C ATOM 1010 CG TYR A 69 2.800 0.673 -11.151 1.00 0.82 C ATOM 1011 CD1 TYR A 69 3.031 -0.428 -11.996 1.00 1.73 C ATOM 1012 CD2 TYR A 69 3.416 1.907 -11.435 1.00 2.05 C ATOM 1013 CE1 TYR A 69 3.882 -0.304 -13.108 1.00 1.77 C ATOM 1014 CE2 TYR A 69 4.276 2.028 -12.540 1.00 2.14 C ATOM 1015 CZ TYR A 69 4.504 0.925 -13.379 1.00 1.09 C ATOM 1016 OH TYR A 69 5.338 1.054 -14.448 1.00 1.34 O ATOM 0 H TYR A 69 3.870 1.653 -9.046 1.00 0.78 H new ATOM 0 HA TYR A 69 1.646 0.197 -7.893 1.00 0.76 H new ATOM 0 HB2 TYR A 69 1.096 -0.206 -10.225 1.00 0.78 H new ATOM 0 HB3 TYR A 69 1.317 1.495 -9.863 1.00 0.78 H new ATOM 0 HD1 TYR A 69 2.552 -1.374 -11.789 1.00 1.73 H new ATOM 0 HD2 TYR A 69 3.227 2.762 -10.803 1.00 2.05 H new ATOM 0 HE1 TYR A 69 4.057 -1.153 -13.753 1.00 1.77 H new ATOM 0 HE2 TYR A 69 4.762 2.970 -12.744 1.00 2.14 H new ATOM 0 HH TYR A 69 5.680 1.971 -14.487 1.00 1.34 H new ATOM 1026 N THR A 70 2.586 -2.071 -7.702 1.00 0.66 N ATOM 1027 CA THR A 70 3.078 -3.430 -7.574 1.00 0.67 C ATOM 1028 C THR A 70 1.987 -4.282 -6.926 1.00 0.64 C ATOM 1029 O THR A 70 1.978 -4.440 -5.706 1.00 0.68 O ATOM 1030 CB THR A 70 4.373 -3.432 -6.738 1.00 0.86 C ATOM 1031 OG1 THR A 70 5.326 -2.521 -7.256 1.00 1.21 O ATOM 1032 CG2 THR A 70 5.026 -4.817 -6.709 1.00 1.03 C ATOM 0 H THR A 70 1.853 -1.831 -7.034 1.00 0.66 H new ATOM 0 HA THR A 70 3.315 -3.851 -8.551 1.00 0.67 H new ATOM 0 HB THR A 70 4.079 -3.137 -5.730 1.00 0.86 H new ATOM 0 HG1 THR A 70 6.135 -2.544 -6.703 1.00 1.21 H new ATOM 0 HG21 THR A 70 5.936 -4.778 -6.110 1.00 1.03 H new ATOM 0 HG22 THR A 70 4.334 -5.536 -6.271 1.00 1.03 H new ATOM 0 HG23 THR A 70 5.273 -5.124 -7.725 1.00 1.03 H new ATOM 1040 N ILE A 71 1.044 -4.790 -7.732 1.00 0.68 N ATOM 1041 CA ILE A 71 -0.019 -5.670 -7.263 1.00 0.74 C ATOM 1042 C ILE A 71 -0.229 -6.774 -8.300 1.00 0.75 C ATOM 1043 O ILE A 71 -0.484 -6.463 -9.464 1.00 0.99 O ATOM 1044 CB ILE A 71 -1.314 -4.880 -6.921 1.00 0.87 C ATOM 1045 CG1 ILE A 71 -2.428 -4.900 -7.979 1.00 0.99 C ATOM 1046 CG2 ILE A 71 -1.058 -3.372 -6.683 1.00 1.07 C ATOM 1047 CD1 ILE A 71 -3.139 -6.216 -8.297 1.00 1.38 C ATOM 0 H ILE A 71 1.003 -4.597 -8.733 1.00 0.68 H new ATOM 0 HA ILE A 71 0.271 -6.140 -6.323 1.00 0.74 H new ATOM 0 HB ILE A 71 -1.637 -5.416 -6.028 1.00 0.87 H new ATOM 0 HG12 ILE A 71 -3.189 -4.185 -7.666 1.00 0.99 H new ATOM 0 HG13 ILE A 71 -2.002 -4.526 -8.910 1.00 0.99 H new ATOM 0 HG21 ILE A 71 -2.000 -2.876 -6.449 1.00 1.07 H new ATOM 0 HG22 ILE A 71 -0.365 -3.247 -5.851 1.00 1.07 H new ATOM 0 HG23 ILE A 71 -0.629 -2.930 -7.582 1.00 1.07 H new ATOM 0 HD11 ILE A 71 -3.894 -6.045 -9.064 1.00 1.38 H new ATOM 0 HD12 ILE A 71 -2.413 -6.944 -8.658 1.00 1.38 H new ATOM 0 HD13 ILE A 71 -3.618 -6.598 -7.395 1.00 1.38 H new ATOM 1059 N ASP A 72 -0.123 -8.043 -7.894 1.00 0.65 N ATOM 1060 CA ASP A 72 -0.476 -9.200 -8.703 1.00 0.64 C ATOM 1061 C ASP A 72 -1.973 -9.444 -8.538 1.00 0.70 C ATOM 1062 O ASP A 72 -2.439 -9.777 -7.448 1.00 0.92 O ATOM 1063 CB ASP A 72 0.344 -10.444 -8.311 1.00 0.77 C ATOM 1064 CG ASP A 72 1.820 -10.183 -8.036 1.00 2.36 C ATOM 1065 OD1 ASP A 72 2.666 -10.800 -8.713 1.00 3.18 O ATOM 1066 OD2 ASP A 72 2.106 -9.316 -7.175 1.00 3.65 O ATOM 0 H ASP A 72 0.221 -8.294 -6.967 1.00 0.65 H new ATOM 0 HA ASP A 72 -0.241 -9.004 -9.749 1.00 0.64 H new ATOM 0 HB2 ASP A 72 -0.102 -10.889 -7.422 1.00 0.77 H new ATOM 0 HB3 ASP A 72 0.264 -11.180 -9.111 1.00 0.77 H new ATOM 1071 N PHE A 73 -2.735 -9.235 -9.605 1.00 0.71 N ATOM 1072 CA PHE A 73 -4.191 -9.254 -9.611 1.00 0.79 C ATOM 1073 C PHE A 73 -4.756 -10.561 -9.069 1.00 0.98 C ATOM 1074 O PHE A 73 -5.788 -10.538 -8.403 1.00 1.29 O ATOM 1075 CB PHE A 73 -4.695 -9.023 -11.025 1.00 0.75 C ATOM 1076 CG PHE A 73 -4.440 -7.650 -11.595 1.00 0.86 C ATOM 1077 CD1 PHE A 73 -3.365 -7.449 -12.474 1.00 2.21 C ATOM 1078 CD2 PHE A 73 -5.431 -6.666 -11.475 1.00 1.60 C ATOM 1079 CE1 PHE A 73 -3.396 -6.381 -13.379 1.00 2.58 C ATOM 1080 CE2 PHE A 73 -5.454 -5.582 -12.362 1.00 1.68 C ATOM 1081 CZ PHE A 73 -4.466 -5.467 -13.356 1.00 1.67 C ATOM 0 H PHE A 73 -2.339 -9.040 -10.525 1.00 0.71 H new ATOM 0 HA PHE A 73 -4.534 -8.456 -8.953 1.00 0.79 H new ATOM 0 HB2 PHE A 73 -4.232 -9.760 -11.681 1.00 0.75 H new ATOM 0 HB3 PHE A 73 -5.769 -9.210 -11.043 1.00 0.75 H new ATOM 0 HD1 PHE A 73 -2.516 -8.116 -12.453 1.00 2.21 H new ATOM 0 HD2 PHE A 73 -6.177 -6.744 -10.698 1.00 1.60 H new ATOM 0 HE1 PHE A 73 -2.598 -6.258 -14.096 1.00 2.58 H new ATOM 0 HE2 PHE A 73 -6.230 -4.835 -12.282 1.00 1.68 H new ATOM 0 HZ PHE A 73 -4.528 -4.683 -14.096 1.00 1.67 H new ATOM 1091 N ALA A 74 -4.066 -11.677 -9.328 1.00 0.97 N ATOM 1092 CA ALA A 74 -4.466 -13.016 -8.906 1.00 1.15 C ATOM 1093 C ALA A 74 -4.930 -13.073 -7.444 1.00 1.13 C ATOM 1094 O ALA A 74 -5.802 -13.876 -7.110 1.00 1.26 O ATOM 1095 CB ALA A 74 -3.305 -13.986 -9.140 1.00 1.26 C ATOM 0 H ALA A 74 -3.191 -11.669 -9.851 1.00 0.97 H new ATOM 0 HA ALA A 74 -5.327 -13.307 -9.508 1.00 1.15 H new ATOM 0 HB1 ALA A 74 -3.599 -14.988 -8.826 1.00 1.26 H new ATOM 0 HB2 ALA A 74 -3.049 -13.998 -10.199 1.00 1.26 H new ATOM 0 HB3 ALA A 74 -2.439 -13.664 -8.561 1.00 1.26 H new ATOM 1101 N ALA A 75 -4.345 -12.228 -6.580 1.00 1.06 N ATOM 1102 CA ALA A 75 -4.821 -12.068 -5.194 1.00 1.14 C ATOM 1103 C ALA A 75 -4.539 -10.692 -4.564 1.00 1.06 C ATOM 1104 O ALA A 75 -4.676 -10.533 -3.352 1.00 1.28 O ATOM 1105 CB ALA A 75 -4.245 -13.178 -4.310 1.00 1.24 C ATOM 0 H ALA A 75 -3.542 -11.645 -6.815 1.00 1.06 H new ATOM 0 HA ALA A 75 -5.907 -12.142 -5.251 1.00 1.14 H new ATOM 0 HB1 ALA A 75 -4.602 -13.051 -3.288 1.00 1.24 H new ATOM 0 HB2 ALA A 75 -4.566 -14.148 -4.689 1.00 1.24 H new ATOM 0 HB3 ALA A 75 -3.156 -13.125 -4.323 1.00 1.24 H new ATOM 1111 N LYS A 76 -4.146 -9.707 -5.373 1.00 1.00 N ATOM 1112 CA LYS A 76 -3.857 -8.339 -4.999 1.00 0.96 C ATOM 1113 C LYS A 76 -2.985 -8.196 -3.755 1.00 0.92 C ATOM 1114 O LYS A 76 -3.405 -7.708 -2.710 1.00 1.15 O ATOM 1115 CB LYS A 76 -5.159 -7.555 -5.017 1.00 1.19 C ATOM 1116 CG LYS A 76 -5.023 -6.035 -5.198 1.00 1.93 C ATOM 1117 CD LYS A 76 -4.607 -5.330 -3.907 1.00 3.27 C ATOM 1118 CE LYS A 76 -4.971 -3.839 -3.910 1.00 4.40 C ATOM 1119 NZ LYS A 76 -6.029 -3.525 -2.925 1.00 5.49 N ATOM 0 H LYS A 76 -4.015 -9.864 -6.372 1.00 1.00 H new ATOM 0 HA LYS A 76 -3.199 -7.883 -5.739 1.00 0.96 H new ATOM 0 HB2 LYS A 76 -5.784 -7.943 -5.822 1.00 1.19 H new ATOM 0 HB3 LYS A 76 -5.688 -7.745 -4.083 1.00 1.19 H new ATOM 0 HG2 LYS A 76 -4.287 -5.829 -5.975 1.00 1.93 H new ATOM 0 HG3 LYS A 76 -5.973 -5.626 -5.542 1.00 1.93 H new ATOM 0 HD2 LYS A 76 -5.089 -5.817 -3.059 1.00 3.27 H new ATOM 0 HD3 LYS A 76 -3.531 -5.438 -3.768 1.00 3.27 H new ATOM 0 HE2 LYS A 76 -4.082 -3.248 -3.688 1.00 4.40 H new ATOM 0 HE3 LYS A 76 -5.306 -3.549 -4.906 1.00 4.40 H new ATOM 0 HZ1 LYS A 76 -6.526 -2.658 -3.214 1.00 5.49 H new ATOM 0 HZ2 LYS A 76 -6.706 -4.313 -2.879 1.00 5.49 H new ATOM 0 HZ3 LYS A 76 -5.600 -3.382 -1.988 1.00 5.49 H new ATOM 1133 N GLN A 77 -1.704 -8.503 -3.940 1.00 0.77 N ATOM 1134 CA GLN A 77 -0.661 -8.253 -2.961 1.00 0.83 C ATOM 1135 C GLN A 77 -0.098 -6.877 -3.287 1.00 1.04 C ATOM 1136 O GLN A 77 1.024 -6.724 -3.764 1.00 1.83 O ATOM 1137 CB GLN A 77 0.385 -9.381 -2.932 1.00 0.98 C ATOM 1138 CG GLN A 77 0.559 -10.139 -4.256 1.00 1.11 C ATOM 1139 CD GLN A 77 -0.467 -11.265 -4.402 1.00 1.02 C ATOM 1140 OE1 GLN A 77 -1.465 -11.140 -5.275 1.00 1.63 O flip ATOM 1141 NE2 GLN A 77 -0.375 -12.271 -3.708 1.00 0.99 N flip ATOM 0 H GLN A 77 -1.359 -8.942 -4.794 1.00 0.77 H new ATOM 0 HA GLN A 77 -1.049 -8.252 -1.943 1.00 0.83 H new ATOM 0 HB2 GLN A 77 1.347 -8.957 -2.645 1.00 0.98 H new ATOM 0 HB3 GLN A 77 0.107 -10.094 -2.156 1.00 0.98 H new ATOM 0 HG2 GLN A 77 0.458 -9.444 -5.089 1.00 1.11 H new ATOM 0 HG3 GLN A 77 1.565 -10.554 -4.308 1.00 1.11 H new ATOM 0 HE21 GLN A 77 0.391 -12.362 -3.041 1.00 0.99 H new ATOM 0 HE22 GLN A 77 -1.065 -13.017 -3.798 1.00 0.99 H new ATOM 1150 N GLY A 78 -0.962 -5.878 -3.118 1.00 1.02 N ATOM 1151 CA GLY A 78 -0.716 -4.523 -3.567 1.00 1.28 C ATOM 1152 C GLY A 78 0.170 -3.777 -2.593 1.00 1.04 C ATOM 1153 O GLY A 78 -0.329 -3.139 -1.670 1.00 1.29 O ATOM 0 H GLY A 78 -1.864 -5.996 -2.657 1.00 1.02 H new ATOM 0 HA2 GLY A 78 -0.245 -4.542 -4.550 1.00 1.28 H new ATOM 0 HA3 GLY A 78 -1.664 -3.996 -3.678 1.00 1.28 H new ATOM 1157 N ASN A 79 1.484 -3.882 -2.793 1.00 0.81 N ATOM 1158 CA ASN A 79 2.469 -3.499 -1.796 1.00 0.75 C ATOM 1159 C ASN A 79 3.606 -2.758 -2.495 1.00 0.98 C ATOM 1160 O ASN A 79 4.491 -3.376 -3.080 1.00 1.82 O ATOM 1161 CB ASN A 79 2.914 -4.763 -1.041 1.00 0.78 C ATOM 1162 CG ASN A 79 1.739 -5.389 -0.281 1.00 1.17 C ATOM 1163 OD1 ASN A 79 1.280 -6.487 -0.589 1.00 2.54 O ATOM 1164 ND2 ASN A 79 1.200 -4.671 0.699 1.00 0.97 N ATOM 0 H ASN A 79 1.891 -4.238 -3.658 1.00 0.81 H new ATOM 0 HA ASN A 79 2.063 -2.815 -1.051 1.00 0.75 H new ATOM 0 HB2 ASN A 79 3.323 -5.487 -1.746 1.00 0.78 H new ATOM 0 HB3 ASN A 79 3.712 -4.512 -0.342 1.00 0.78 H new ATOM 0 HD21 ASN A 79 0.392 -5.029 1.209 1.00 0.97 H new ATOM 0 HD22 ASN A 79 1.594 -3.762 0.941 1.00 0.97 H new ATOM 1171 N GLY A 80 3.540 -1.422 -2.471 1.00 0.61 N ATOM 1172 CA GLY A 80 4.450 -0.523 -3.166 1.00 0.65 C ATOM 1173 C GLY A 80 5.396 0.146 -2.172 1.00 0.68 C ATOM 1174 O GLY A 80 4.974 0.536 -1.088 1.00 0.83 O ATOM 0 H GLY A 80 2.821 -0.925 -1.945 1.00 0.61 H new ATOM 0 HA2 GLY A 80 5.024 -1.078 -3.908 1.00 0.65 H new ATOM 0 HA3 GLY A 80 3.882 0.235 -3.705 1.00 0.65 H new ATOM 1178 N LYS A 81 6.674 0.267 -2.530 1.00 0.73 N ATOM 1179 CA LYS A 81 7.717 0.648 -1.585 1.00 0.71 C ATOM 1180 C LYS A 81 7.776 2.158 -1.310 1.00 0.74 C ATOM 1181 O LYS A 81 7.916 2.975 -2.225 1.00 0.98 O ATOM 1182 CB LYS A 81 9.051 0.016 -1.991 1.00 0.87 C ATOM 1183 CG LYS A 81 9.633 0.383 -3.368 1.00 1.63 C ATOM 1184 CD LYS A 81 10.207 -0.850 -4.098 1.00 2.02 C ATOM 1185 CE LYS A 81 11.550 -1.398 -3.566 1.00 2.50 C ATOM 1186 NZ LYS A 81 11.612 -1.450 -2.094 1.00 3.40 N ATOM 0 H LYS A 81 7.012 0.104 -3.479 1.00 0.73 H new ATOM 0 HA LYS A 81 7.459 0.237 -0.609 1.00 0.71 H new ATOM 0 HB2 LYS A 81 9.790 0.280 -1.235 1.00 0.87 H new ATOM 0 HB3 LYS A 81 8.932 -1.067 -1.956 1.00 0.87 H new ATOM 0 HG2 LYS A 81 8.855 0.838 -3.981 1.00 1.63 H new ATOM 0 HG3 LYS A 81 10.418 1.129 -3.243 1.00 1.63 H new ATOM 0 HD2 LYS A 81 9.468 -1.650 -4.050 1.00 2.02 H new ATOM 0 HD3 LYS A 81 10.334 -0.596 -5.150 1.00 2.02 H new ATOM 0 HE2 LYS A 81 11.711 -2.399 -3.966 1.00 2.50 H new ATOM 0 HE3 LYS A 81 12.363 -0.773 -3.936 1.00 2.50 H new ATOM 0 HZ1 LYS A 81 12.400 -2.062 -1.801 1.00 3.40 H new ATOM 0 HZ2 LYS A 81 11.760 -0.491 -1.719 1.00 3.40 H new ATOM 0 HZ3 LYS A 81 10.719 -1.833 -1.722 1.00 3.40 H new ATOM 1200 N ILE A 82 7.689 2.520 -0.026 1.00 0.78 N ATOM 1201 CA ILE A 82 7.685 3.893 0.471 1.00 1.01 C ATOM 1202 C ILE A 82 9.144 4.359 0.522 1.00 1.02 C ATOM 1203 O ILE A 82 9.764 4.424 1.583 1.00 1.29 O ATOM 1204 CB ILE A 82 6.950 3.960 1.829 1.00 1.13 C ATOM 1205 CG1 ILE A 82 5.503 3.450 1.682 1.00 1.63 C ATOM 1206 CG2 ILE A 82 6.926 5.373 2.434 1.00 1.62 C ATOM 1207 CD1 ILE A 82 4.687 3.604 2.971 1.00 2.07 C ATOM 0 H ILE A 82 7.617 1.833 0.724 1.00 0.78 H new ATOM 0 HA ILE A 82 7.137 4.571 -0.183 1.00 1.01 H new ATOM 0 HB ILE A 82 7.512 3.321 2.510 1.00 1.13 H new ATOM 0 HG12 ILE A 82 5.010 3.996 0.877 1.00 1.63 H new ATOM 0 HG13 ILE A 82 5.520 2.400 1.391 1.00 1.63 H new ATOM 0 HG21 ILE A 82 6.396 5.352 3.386 1.00 1.62 H new ATOM 0 HG22 ILE A 82 7.948 5.717 2.595 1.00 1.62 H new ATOM 0 HG23 ILE A 82 6.418 6.053 1.750 1.00 1.62 H new ATOM 0 HD11 ILE A 82 3.677 3.229 2.809 1.00 2.07 H new ATOM 0 HD12 ILE A 82 5.161 3.036 3.772 1.00 2.07 H new ATOM 0 HD13 ILE A 82 4.643 4.657 3.250 1.00 2.07 H new ATOM 1219 N GLU A 83 9.694 4.623 -0.668 1.00 0.93 N ATOM 1220 CA GLU A 83 11.127 4.664 -0.910 1.00 0.86 C ATOM 1221 C GLU A 83 11.522 5.873 -1.763 1.00 0.98 C ATOM 1222 O GLU A 83 11.474 5.798 -2.994 1.00 1.58 O ATOM 1223 CB GLU A 83 11.451 3.349 -1.615 1.00 1.19 C ATOM 1224 CG GLU A 83 12.935 3.142 -1.908 1.00 1.20 C ATOM 1225 CD GLU A 83 13.130 1.749 -2.476 1.00 1.80 C ATOM 1226 OE1 GLU A 83 13.462 1.649 -3.675 1.00 2.11 O ATOM 1227 OE2 GLU A 83 12.839 0.793 -1.725 1.00 2.91 O ATOM 0 H GLU A 83 9.139 4.817 -1.501 1.00 0.93 H new ATOM 0 HA GLU A 83 11.688 4.773 0.018 1.00 0.86 H new ATOM 0 HB2 GLU A 83 11.096 2.523 -0.999 1.00 1.19 H new ATOM 0 HB3 GLU A 83 10.898 3.308 -2.553 1.00 1.19 H new ATOM 0 HG2 GLU A 83 13.288 3.891 -2.616 1.00 1.20 H new ATOM 0 HG3 GLU A 83 13.520 3.264 -0.997 1.00 1.20 H new ATOM 1234 N HIS A 84 11.863 7.000 -1.126 1.00 0.74 N ATOM 1235 CA HIS A 84 12.807 7.988 -1.657 1.00 0.77 C ATOM 1236 C HIS A 84 13.366 8.881 -0.541 1.00 0.78 C ATOM 1237 O HIS A 84 13.573 10.075 -0.756 1.00 1.15 O ATOM 1238 CB HIS A 84 12.193 8.830 -2.786 1.00 1.30 C ATOM 1239 CG HIS A 84 11.017 9.681 -2.374 1.00 1.45 C ATOM 1240 ND1 HIS A 84 10.953 11.054 -2.448 1.00 2.71 N ATOM 1241 CD2 HIS A 84 9.801 9.237 -1.929 1.00 1.90 C ATOM 1242 CE1 HIS A 84 9.712 11.422 -2.083 1.00 3.64 C ATOM 1243 NE2 HIS A 84 8.968 10.346 -1.783 1.00 3.16 N ATOM 0 H HIS A 84 11.484 7.254 -0.213 1.00 0.74 H new ATOM 0 HA HIS A 84 13.637 7.431 -2.090 1.00 0.77 H new ATOM 0 HB2 HIS A 84 12.966 9.479 -3.198 1.00 1.30 H new ATOM 0 HB3 HIS A 84 11.877 8.162 -3.587 1.00 1.30 H new ATOM 0 HD1 HIS A 84 11.709 11.679 -2.729 1.00 2.71 H new ATOM 0 HD2 HIS A 84 9.534 8.210 -1.727 1.00 1.90 H new ATOM 0 HE1 HIS A 84 9.362 12.443 -2.038 1.00 3.64 H new ATOM 1251 N LEU A 85 13.539 8.349 0.670 1.00 0.75 N ATOM 1252 CA LEU A 85 13.737 9.177 1.854 1.00 0.84 C ATOM 1253 C LEU A 85 15.217 9.276 2.212 1.00 1.10 C ATOM 1254 O LEU A 85 15.962 8.302 2.116 1.00 1.47 O ATOM 1255 CB LEU A 85 12.871 8.661 3.009 1.00 0.79 C ATOM 1256 CG LEU A 85 11.377 8.804 2.649 1.00 0.82 C ATOM 1257 CD1 LEU A 85 10.709 7.441 2.453 1.00 1.42 C ATOM 1258 CD2 LEU A 85 10.619 9.591 3.721 1.00 1.23 C ATOM 0 H LEU A 85 13.545 7.346 0.854 1.00 0.75 H new ATOM 0 HA LEU A 85 13.411 10.195 1.640 1.00 0.84 H new ATOM 0 HB2 LEU A 85 13.107 7.617 3.213 1.00 0.79 H new ATOM 0 HB3 LEU A 85 13.090 9.221 3.918 1.00 0.79 H new ATOM 0 HG LEU A 85 11.335 9.352 1.708 1.00 0.82 H new ATOM 0 HD11 LEU A 85 9.658 7.584 2.201 1.00 1.42 H new ATOM 0 HD12 LEU A 85 11.207 6.905 1.645 1.00 1.42 H new ATOM 0 HD13 LEU A 85 10.786 6.862 3.374 1.00 1.42 H new ATOM 0 HD21 LEU A 85 9.570 9.674 3.438 1.00 1.23 H new ATOM 0 HD22 LEU A 85 10.697 9.072 4.676 1.00 1.23 H new ATOM 0 HD23 LEU A 85 11.050 10.588 3.813 1.00 1.23 H new ATOM 1270 N LYS A 86 15.640 10.473 2.632 1.00 1.21 N ATOM 1271 CA LYS A 86 17.010 10.836 2.904 1.00 1.52 C ATOM 1272 C LYS A 86 17.640 9.950 3.983 1.00 1.35 C ATOM 1273 O LYS A 86 18.824 9.630 3.933 1.00 1.81 O ATOM 1274 CB LYS A 86 17.003 12.323 3.280 1.00 1.81 C ATOM 1275 CG LYS A 86 16.265 12.673 4.585 1.00 1.82 C ATOM 1276 CD LYS A 86 14.725 12.609 4.639 1.00 2.07 C ATOM 1277 CE LYS A 86 14.200 13.151 5.981 1.00 2.45 C ATOM 1278 NZ LYS A 86 14.306 12.163 7.081 1.00 3.30 N ATOM 0 H LYS A 86 14.993 11.245 2.796 1.00 1.21 H new ATOM 0 HA LYS A 86 17.636 10.675 2.026 1.00 1.52 H new ATOM 0 HB2 LYS A 86 18.035 12.663 3.364 1.00 1.81 H new ATOM 0 HB3 LYS A 86 16.548 12.884 2.464 1.00 1.81 H new ATOM 0 HG2 LYS A 86 16.645 12.008 5.361 1.00 1.82 H new ATOM 0 HG3 LYS A 86 16.558 13.686 4.862 1.00 1.82 H new ATOM 0 HD2 LYS A 86 14.304 13.189 3.818 1.00 2.07 H new ATOM 0 HD3 LYS A 86 14.395 11.579 4.504 1.00 2.07 H new ATOM 0 HE2 LYS A 86 14.759 14.048 6.249 1.00 2.45 H new ATOM 0 HE3 LYS A 86 13.158 13.448 5.865 1.00 2.45 H new ATOM 0 HZ1 LYS A 86 14.084 12.625 7.986 1.00 3.30 H new ATOM 0 HZ2 LYS A 86 13.635 11.386 6.915 1.00 3.30 H new ATOM 0 HZ3 LYS A 86 15.274 11.784 7.115 1.00 3.30 H new ATOM 1292 N SER A 87 16.839 9.584 4.984 1.00 0.95 N ATOM 1293 CA SER A 87 17.259 8.766 6.102 1.00 1.03 C ATOM 1294 C SER A 87 17.060 7.310 5.671 1.00 0.98 C ATOM 1295 O SER A 87 15.915 6.941 5.417 1.00 0.94 O ATOM 1296 CB SER A 87 16.392 9.132 7.313 1.00 1.19 C ATOM 1297 OG SER A 87 16.400 10.543 7.506 1.00 1.43 O ATOM 0 H SER A 87 15.858 9.859 5.033 1.00 0.95 H new ATOM 0 HA SER A 87 18.301 8.921 6.381 1.00 1.03 H new ATOM 0 HB2 SER A 87 15.371 8.783 7.159 1.00 1.19 H new ATOM 0 HB3 SER A 87 16.769 8.632 8.205 1.00 1.19 H new ATOM 0 HG SER A 87 16.038 10.754 8.392 1.00 1.43 H new ATOM 1303 N PRO A 88 18.118 6.491 5.553 1.00 1.08 N ATOM 1304 CA PRO A 88 18.041 5.192 4.899 1.00 1.07 C ATOM 1305 C PRO A 88 16.888 4.356 5.455 1.00 1.06 C ATOM 1306 O PRO A 88 16.027 3.911 4.698 1.00 1.36 O ATOM 1307 CB PRO A 88 19.415 4.535 5.080 1.00 1.35 C ATOM 1308 CG PRO A 88 20.091 5.350 6.184 1.00 1.49 C ATOM 1309 CD PRO A 88 19.462 6.735 6.044 1.00 1.34 C ATOM 0 HA PRO A 88 17.819 5.287 3.836 1.00 1.07 H new ATOM 0 HB2 PRO A 88 19.319 3.487 5.364 1.00 1.35 H new ATOM 0 HB3 PRO A 88 19.993 4.564 4.156 1.00 1.35 H new ATOM 0 HG2 PRO A 88 19.905 4.923 7.169 1.00 1.49 H new ATOM 0 HG3 PRO A 88 21.172 5.385 6.051 1.00 1.49 H new ATOM 0 HD2 PRO A 88 19.444 7.258 7.000 1.00 1.34 H new ATOM 0 HD3 PRO A 88 20.028 7.357 5.351 1.00 1.34 H new ATOM 1317 N GLU A 89 16.835 4.215 6.778 1.00 1.09 N ATOM 1318 CA GLU A 89 15.826 3.448 7.492 1.00 1.25 C ATOM 1319 C GLU A 89 14.387 3.819 7.116 1.00 1.18 C ATOM 1320 O GLU A 89 13.504 2.964 7.141 1.00 1.60 O ATOM 1321 CB GLU A 89 16.033 3.631 8.997 1.00 1.50 C ATOM 1322 CG GLU A 89 17.507 3.508 9.407 1.00 2.22 C ATOM 1323 CD GLU A 89 17.598 3.133 10.872 1.00 3.64 C ATOM 1324 OE1 GLU A 89 17.939 4.026 11.676 1.00 3.86 O ATOM 1325 OE2 GLU A 89 17.281 1.956 11.142 1.00 5.27 O ATOM 0 H GLU A 89 17.518 4.648 7.400 1.00 1.09 H new ATOM 0 HA GLU A 89 15.955 2.405 7.202 1.00 1.25 H new ATOM 0 HB2 GLU A 89 15.657 4.609 9.296 1.00 1.50 H new ATOM 0 HB3 GLU A 89 15.446 2.886 9.534 1.00 1.50 H new ATOM 0 HG2 GLU A 89 18.003 2.753 8.797 1.00 2.22 H new ATOM 0 HG3 GLU A 89 18.024 4.451 9.230 1.00 2.22 H new ATOM 1332 N LEU A 90 14.135 5.091 6.785 1.00 0.95 N ATOM 1333 CA LEU A 90 12.792 5.548 6.449 1.00 0.91 C ATOM 1334 C LEU A 90 12.327 4.970 5.115 1.00 0.77 C ATOM 1335 O LEU A 90 11.134 5.028 4.829 1.00 0.90 O ATOM 1336 CB LEU A 90 12.720 7.085 6.408 1.00 0.92 C ATOM 1337 CG LEU A 90 12.471 7.762 7.764 1.00 1.14 C ATOM 1338 CD1 LEU A 90 10.985 7.685 8.137 1.00 1.54 C ATOM 1339 CD2 LEU A 90 13.348 7.203 8.890 1.00 2.00 C ATOM 0 H LEU A 90 14.848 5.819 6.744 1.00 0.95 H new ATOM 0 HA LEU A 90 12.125 5.189 7.233 1.00 0.91 H new ATOM 0 HB2 LEU A 90 13.654 7.466 5.995 1.00 0.92 H new ATOM 0 HB3 LEU A 90 11.925 7.378 5.722 1.00 0.92 H new ATOM 0 HG LEU A 90 12.757 8.807 7.648 1.00 1.14 H new ATOM 0 HD11 LEU A 90 10.826 8.169 9.100 1.00 1.54 H new ATOM 0 HD12 LEU A 90 10.392 8.190 7.375 1.00 1.54 H new ATOM 0 HD13 LEU A 90 10.680 6.641 8.201 1.00 1.54 H new ATOM 0 HD21 LEU A 90 13.122 7.724 9.820 1.00 2.00 H new ATOM 0 HD22 LEU A 90 13.148 6.139 9.013 1.00 2.00 H new ATOM 0 HD23 LEU A 90 14.399 7.348 8.639 1.00 2.00 H new ATOM 1351 N ASN A 91 13.235 4.438 4.289 1.00 0.65 N ATOM 1352 CA ASN A 91 12.846 3.815 3.032 1.00 0.63 C ATOM 1353 C ASN A 91 12.139 2.509 3.362 1.00 0.66 C ATOM 1354 O ASN A 91 12.767 1.464 3.520 1.00 0.96 O ATOM 1355 CB ASN A 91 14.044 3.633 2.102 1.00 0.75 C ATOM 1356 CG ASN A 91 14.556 5.003 1.680 1.00 0.88 C ATOM 1357 OD1 ASN A 91 14.085 5.588 0.706 1.00 1.77 O ATOM 1358 ND2 ASN A 91 15.470 5.562 2.461 1.00 0.97 N ATOM 0 H ASN A 91 14.238 4.429 4.473 1.00 0.65 H new ATOM 0 HA ASN A 91 12.160 4.458 2.481 1.00 0.63 H new ATOM 0 HB2 ASN A 91 14.832 3.076 2.608 1.00 0.75 H new ATOM 0 HB3 ASN A 91 13.756 3.052 1.226 1.00 0.75 H new ATOM 0 HD21 ASN A 91 15.803 6.505 2.262 1.00 0.97 H new ATOM 0 HD22 ASN A 91 15.840 5.049 3.261 1.00 0.97 H new ATOM 1365 N VAL A 92 10.826 2.612 3.533 1.00 0.58 N ATOM 1366 CA VAL A 92 9.990 1.568 4.075 1.00 0.56 C ATOM 1367 C VAL A 92 9.524 0.684 2.924 1.00 0.52 C ATOM 1368 O VAL A 92 8.842 1.162 2.018 1.00 0.69 O ATOM 1369 CB VAL A 92 8.840 2.219 4.870 1.00 0.60 C ATOM 1370 CG1 VAL A 92 7.579 1.355 4.921 1.00 0.87 C ATOM 1371 CG2 VAL A 92 9.289 2.472 6.309 1.00 1.07 C ATOM 0 H VAL A 92 10.306 3.454 3.288 1.00 0.58 H new ATOM 0 HA VAL A 92 10.526 0.926 4.774 1.00 0.56 H new ATOM 0 HB VAL A 92 8.597 3.147 4.351 1.00 0.60 H new ATOM 0 HG11 VAL A 92 6.808 1.870 5.495 1.00 0.87 H new ATOM 0 HG12 VAL A 92 7.219 1.177 3.908 1.00 0.87 H new ATOM 0 HG13 VAL A 92 7.810 0.402 5.397 1.00 0.87 H new ATOM 0 HG21 VAL A 92 8.475 2.932 6.869 1.00 1.07 H new ATOM 0 HG22 VAL A 92 9.562 1.526 6.777 1.00 1.07 H new ATOM 0 HG23 VAL A 92 10.151 3.139 6.309 1.00 1.07 H new ATOM 1381 N ASP A 93 9.856 -0.605 2.964 1.00 0.55 N ATOM 1382 CA ASP A 93 9.220 -1.571 2.081 1.00 0.52 C ATOM 1383 C ASP A 93 7.952 -2.039 2.783 1.00 0.53 C ATOM 1384 O ASP A 93 7.901 -2.082 4.010 1.00 0.62 O ATOM 1385 CB ASP A 93 10.167 -2.755 1.795 1.00 0.56 C ATOM 1386 CG ASP A 93 10.681 -2.741 0.368 1.00 1.03 C ATOM 1387 OD1 ASP A 93 11.912 -2.752 0.152 1.00 2.01 O ATOM 1388 OD2 ASP A 93 9.844 -2.654 -0.557 1.00 1.82 O ATOM 0 H ASP A 93 10.556 -0.999 3.593 1.00 0.55 H new ATOM 0 HA ASP A 93 8.981 -1.122 1.117 1.00 0.52 H new ATOM 0 HB2 ASP A 93 11.011 -2.719 2.484 1.00 0.56 H new ATOM 0 HB3 ASP A 93 9.642 -3.692 1.982 1.00 0.56 H new ATOM 1393 N LEU A 94 6.920 -2.385 2.017 1.00 0.62 N ATOM 1394 CA LEU A 94 5.699 -2.970 2.554 1.00 0.70 C ATOM 1395 C LEU A 94 5.754 -4.472 2.286 1.00 0.67 C ATOM 1396 O LEU A 94 6.187 -4.882 1.210 1.00 0.78 O ATOM 1397 CB LEU A 94 4.463 -2.333 1.907 1.00 0.96 C ATOM 1398 CG LEU A 94 4.472 -0.800 1.852 1.00 0.91 C ATOM 1399 CD1 LEU A 94 3.141 -0.299 1.287 1.00 1.09 C ATOM 1400 CD2 LEU A 94 4.671 -0.194 3.233 1.00 1.77 C ATOM 0 H LEU A 94 6.909 -2.266 1.004 1.00 0.62 H new ATOM 0 HA LEU A 94 5.623 -2.785 3.625 1.00 0.70 H new ATOM 0 HB2 LEU A 94 4.366 -2.717 0.891 1.00 0.96 H new ATOM 0 HB3 LEU A 94 3.578 -2.656 2.456 1.00 0.96 H new ATOM 0 HG LEU A 94 5.301 -0.496 1.213 1.00 0.91 H new ATOM 0 HD11 LEU A 94 3.149 0.790 1.249 1.00 1.09 H new ATOM 0 HD12 LEU A 94 3.000 -0.697 0.282 1.00 1.09 H new ATOM 0 HD13 LEU A 94 2.325 -0.633 1.927 1.00 1.09 H new ATOM 0 HD21 LEU A 94 4.672 0.893 3.156 1.00 1.77 H new ATOM 0 HD22 LEU A 94 3.861 -0.511 3.890 1.00 1.77 H new ATOM 0 HD23 LEU A 94 5.623 -0.530 3.644 1.00 1.77 H new ATOM 1412 N ALA A 95 5.308 -5.297 3.233 1.00 0.70 N ATOM 1413 CA ALA A 95 5.377 -6.742 3.072 1.00 0.79 C ATOM 1414 C ALA A 95 4.266 -7.186 2.118 1.00 0.74 C ATOM 1415 O ALA A 95 3.236 -6.521 2.020 1.00 0.78 O ATOM 1416 CB ALA A 95 5.221 -7.412 4.440 1.00 0.93 C ATOM 0 H ALA A 95 4.898 -4.988 4.114 1.00 0.70 H new ATOM 0 HA ALA A 95 6.340 -7.034 2.653 1.00 0.79 H new ATOM 0 HB1 ALA A 95 5.272 -8.494 4.323 1.00 0.93 H new ATOM 0 HB2 ALA A 95 6.022 -7.080 5.101 1.00 0.93 H new ATOM 0 HB3 ALA A 95 4.258 -7.139 4.871 1.00 0.93 H new ATOM 1422 N ALA A 96 4.462 -8.306 1.415 1.00 0.77 N ATOM 1423 CA ALA A 96 3.488 -8.775 0.438 1.00 0.79 C ATOM 1424 C ALA A 96 2.330 -9.398 1.210 1.00 0.72 C ATOM 1425 O ALA A 96 2.557 -10.321 1.991 1.00 1.12 O ATOM 1426 CB ALA A 96 4.119 -9.795 -0.514 1.00 0.95 C ATOM 0 H ALA A 96 5.286 -8.900 1.508 1.00 0.77 H new ATOM 0 HA ALA A 96 3.134 -7.945 -0.174 1.00 0.79 H new ATOM 0 HB1 ALA A 96 3.373 -10.131 -1.234 1.00 0.95 H new ATOM 0 HB2 ALA A 96 4.952 -9.332 -1.043 1.00 0.95 H new ATOM 0 HB3 ALA A 96 4.482 -10.649 0.057 1.00 0.95 H new ATOM 1432 N ALA A 97 1.117 -8.863 1.046 1.00 0.58 N ATOM 1433 CA ALA A 97 -0.007 -9.210 1.904 1.00 0.59 C ATOM 1434 C ALA A 97 -1.310 -9.206 1.114 1.00 0.71 C ATOM 1435 O ALA A 97 -1.589 -8.265 0.374 1.00 1.14 O ATOM 1436 CB ALA A 97 -0.076 -8.227 3.072 1.00 0.90 C ATOM 0 H ALA A 97 0.893 -8.183 0.319 1.00 0.58 H new ATOM 0 HA ALA A 97 0.139 -10.217 2.295 1.00 0.59 H new ATOM 0 HB1 ALA A 97 -0.917 -8.485 3.716 1.00 0.90 H new ATOM 0 HB2 ALA A 97 0.849 -8.278 3.646 1.00 0.90 H new ATOM 0 HB3 ALA A 97 -0.210 -7.215 2.689 1.00 0.90 H new ATOM 1442 N ASP A 98 -2.093 -10.270 1.274 1.00 0.67 N ATOM 1443 CA ASP A 98 -3.233 -10.600 0.438 1.00 0.78 C ATOM 1444 C ASP A 98 -4.463 -9.768 0.792 1.00 0.87 C ATOM 1445 O ASP A 98 -4.521 -9.096 1.824 1.00 1.21 O ATOM 1446 CB ASP A 98 -3.619 -12.079 0.659 1.00 1.05 C ATOM 1447 CG ASP A 98 -2.456 -13.057 0.695 1.00 2.15 C ATOM 1448 OD1 ASP A 98 -1.543 -12.832 1.518 1.00 3.16 O ATOM 1449 OD2 ASP A 98 -2.556 -14.056 -0.051 1.00 3.01 O ATOM 0 H ASP A 98 -1.941 -10.949 2.020 1.00 0.67 H new ATOM 0 HA ASP A 98 -2.940 -10.399 -0.592 1.00 0.78 H new ATOM 0 HB2 ASP A 98 -4.167 -12.158 1.598 1.00 1.05 H new ATOM 0 HB3 ASP A 98 -4.302 -12.381 -0.135 1.00 1.05 H new ATOM 1454 N ILE A 99 -5.500 -9.932 -0.030 1.00 0.75 N ATOM 1455 CA ILE A 99 -6.880 -9.657 0.303 1.00 0.75 C ATOM 1456 C ILE A 99 -7.700 -10.878 -0.119 1.00 0.95 C ATOM 1457 O ILE A 99 -7.741 -11.227 -1.297 1.00 1.58 O ATOM 1458 CB ILE A 99 -7.338 -8.364 -0.382 1.00 0.79 C ATOM 1459 CG1 ILE A 99 -8.870 -8.274 -0.350 1.00 1.04 C ATOM 1460 CG2 ILE A 99 -6.779 -8.222 -1.803 1.00 1.03 C ATOM 1461 CD1 ILE A 99 -9.323 -6.899 -0.815 1.00 1.14 C ATOM 0 H ILE A 99 -5.386 -10.275 -0.984 1.00 0.75 H new ATOM 0 HA ILE A 99 -7.014 -9.494 1.372 1.00 0.75 H new ATOM 0 HB ILE A 99 -6.930 -7.522 0.177 1.00 0.79 H new ATOM 0 HG12 ILE A 99 -9.301 -9.043 -0.991 1.00 1.04 H new ATOM 0 HG13 ILE A 99 -9.232 -8.462 0.661 1.00 1.04 H new ATOM 0 HG21 ILE A 99 -7.134 -7.290 -2.242 1.00 1.03 H new ATOM 0 HG22 ILE A 99 -5.690 -8.214 -1.766 1.00 1.03 H new ATOM 0 HG23 ILE A 99 -7.115 -9.061 -2.412 1.00 1.03 H new ATOM 0 HD11 ILE A 99 -10.411 -6.846 -0.788 1.00 1.14 H new ATOM 0 HD12 ILE A 99 -8.907 -6.137 -0.157 1.00 1.14 H new ATOM 0 HD13 ILE A 99 -8.976 -6.727 -1.834 1.00 1.14 H new ATOM 1473 N LYS A 100 -8.298 -11.565 0.857 1.00 1.10 N ATOM 1474 CA LYS A 100 -9.178 -12.708 0.652 1.00 1.42 C ATOM 1475 C LYS A 100 -10.585 -12.547 1.266 1.00 1.32 C ATOM 1476 O LYS A 100 -11.539 -12.983 0.625 1.00 2.42 O ATOM 1477 CB LYS A 100 -8.469 -13.969 1.160 1.00 2.36 C ATOM 1478 CG LYS A 100 -7.289 -14.340 0.248 1.00 4.02 C ATOM 1479 CD LYS A 100 -6.358 -15.305 0.989 1.00 5.09 C ATOM 1480 CE LYS A 100 -5.506 -16.165 0.041 1.00 6.86 C ATOM 1481 NZ LYS A 100 -4.642 -15.367 -0.853 1.00 8.23 N ATOM 0 H LYS A 100 -8.176 -11.330 1.842 1.00 1.10 H new ATOM 0 HA LYS A 100 -9.369 -12.790 -0.418 1.00 1.42 H new ATOM 0 HB2 LYS A 100 -8.111 -13.805 2.176 1.00 2.36 H new ATOM 0 HB3 LYS A 100 -9.176 -14.797 1.201 1.00 2.36 H new ATOM 0 HG2 LYS A 100 -7.655 -14.802 -0.669 1.00 4.02 H new ATOM 0 HG3 LYS A 100 -6.744 -13.442 -0.043 1.00 4.02 H new ATOM 0 HD2 LYS A 100 -5.699 -14.735 1.644 1.00 5.09 H new ATOM 0 HD3 LYS A 100 -6.954 -15.958 1.627 1.00 5.09 H new ATOM 0 HE2 LYS A 100 -4.884 -16.837 0.632 1.00 6.86 H new ATOM 0 HE3 LYS A 100 -6.165 -16.789 -0.563 1.00 6.86 H new ATOM 0 HZ1 LYS A 100 -4.021 -16.002 -1.394 1.00 8.23 H new ATOM 0 HZ2 LYS A 100 -5.234 -14.819 -1.510 1.00 8.23 H new ATOM 0 HZ3 LYS A 100 -4.062 -14.717 -0.285 1.00 8.23 H new ATOM 1495 N PRO A 101 -10.766 -12.013 2.492 1.00 1.52 N ATOM 1496 CA PRO A 101 -12.042 -12.123 3.196 1.00 2.18 C ATOM 1497 C PRO A 101 -12.960 -10.911 2.968 1.00 1.53 C ATOM 1498 O PRO A 101 -13.849 -10.651 3.779 1.00 2.38 O ATOM 1499 CB PRO A 101 -11.639 -12.238 4.670 1.00 3.67 C ATOM 1500 CG PRO A 101 -10.450 -11.283 4.749 1.00 3.91 C ATOM 1501 CD PRO A 101 -9.753 -11.493 3.403 1.00 2.73 C ATOM 0 HA PRO A 101 -12.623 -12.973 2.838 1.00 2.18 H new ATOM 0 HB2 PRO A 101 -12.447 -11.940 5.338 1.00 3.67 H new ATOM 0 HB3 PRO A 101 -11.362 -13.257 4.939 1.00 3.67 H new ATOM 0 HG2 PRO A 101 -10.770 -10.249 4.881 1.00 3.91 H new ATOM 0 HG3 PRO A 101 -9.794 -11.523 5.586 1.00 3.91 H new ATOM 0 HD2 PRO A 101 -9.339 -10.556 3.030 1.00 2.73 H new ATOM 0 HD3 PRO A 101 -8.923 -12.192 3.500 1.00 2.73 H new ATOM 1509 N ASP A 102 -12.768 -10.144 1.892 1.00 1.34 N ATOM 1510 CA ASP A 102 -13.600 -8.992 1.604 1.00 1.71 C ATOM 1511 C ASP A 102 -14.962 -9.464 1.093 1.00 1.67 C ATOM 1512 O ASP A 102 -15.165 -9.654 -0.101 1.00 3.05 O ATOM 1513 CB ASP A 102 -12.896 -8.050 0.614 1.00 2.69 C ATOM 1514 CG ASP A 102 -12.489 -8.737 -0.684 1.00 4.49 C ATOM 1515 OD1 ASP A 102 -11.787 -9.767 -0.562 1.00 5.34 O ATOM 1516 OD2 ASP A 102 -12.829 -8.191 -1.758 1.00 5.61 O ATOM 0 H ASP A 102 -12.033 -10.310 1.204 1.00 1.34 H new ATOM 0 HA ASP A 102 -13.765 -8.418 2.516 1.00 1.71 H new ATOM 0 HB2 ASP A 102 -13.558 -7.215 0.383 1.00 2.69 H new ATOM 0 HB3 ASP A 102 -12.009 -7.631 1.089 1.00 2.69 H new ATOM 1521 N GLY A 103 -15.932 -9.616 1.995 1.00 1.88 N ATOM 1522 CA GLY A 103 -17.313 -9.933 1.636 1.00 2.63 C ATOM 1523 C GLY A 103 -18.043 -8.730 1.022 1.00 2.35 C ATOM 1524 O GLY A 103 -19.115 -8.354 1.491 1.00 3.27 O ATOM 0 H GLY A 103 -15.780 -9.522 2.999 1.00 1.88 H new ATOM 0 HA2 GLY A 103 -17.322 -10.761 0.928 1.00 2.63 H new ATOM 0 HA3 GLY A 103 -17.850 -10.267 2.524 1.00 2.63 H new ATOM 1528 N LYS A 104 -17.445 -8.104 0.004 1.00 1.57 N ATOM 1529 CA LYS A 104 -17.810 -6.842 -0.631 1.00 1.54 C ATOM 1530 C LYS A 104 -16.656 -6.512 -1.577 1.00 1.77 C ATOM 1531 O LYS A 104 -15.539 -6.906 -1.273 1.00 3.18 O ATOM 1532 CB LYS A 104 -18.005 -5.715 0.399 1.00 1.74 C ATOM 1533 CG LYS A 104 -16.757 -5.504 1.271 1.00 3.09 C ATOM 1534 CD LYS A 104 -17.051 -4.680 2.532 1.00 3.53 C ATOM 1535 CE LYS A 104 -17.521 -3.257 2.198 1.00 3.78 C ATOM 1536 NZ LYS A 104 -17.728 -2.445 3.416 1.00 4.90 N ATOM 0 H LYS A 104 -16.617 -8.508 -0.434 1.00 1.57 H new ATOM 0 HA LYS A 104 -18.761 -6.932 -1.156 1.00 1.54 H new ATOM 0 HB2 LYS A 104 -18.244 -4.787 -0.121 1.00 1.74 H new ATOM 0 HB3 LYS A 104 -18.856 -5.951 1.037 1.00 1.74 H new ATOM 0 HG2 LYS A 104 -16.353 -6.474 1.561 1.00 3.09 H new ATOM 0 HG3 LYS A 104 -15.989 -5.001 0.684 1.00 3.09 H new ATOM 0 HD2 LYS A 104 -17.816 -5.184 3.123 1.00 3.53 H new ATOM 0 HD3 LYS A 104 -16.153 -4.629 3.148 1.00 3.53 H new ATOM 0 HE2 LYS A 104 -16.783 -2.772 1.559 1.00 3.78 H new ATOM 0 HE3 LYS A 104 -18.451 -3.305 1.631 1.00 3.78 H new ATOM 0 HZ1 LYS A 104 -18.045 -1.491 3.148 1.00 4.90 H new ATOM 0 HZ2 LYS A 104 -18.450 -2.894 4.014 1.00 4.90 H new ATOM 0 HZ3 LYS A 104 -16.835 -2.377 3.944 1.00 4.90 H new ATOM 1550 N ARG A 105 -16.900 -5.827 -2.701 1.00 1.46 N ATOM 1551 CA ARG A 105 -15.861 -5.503 -3.682 1.00 1.64 C ATOM 1552 C ARG A 105 -14.616 -4.871 -3.053 1.00 1.74 C ATOM 1553 O ARG A 105 -14.539 -3.649 -2.951 1.00 2.84 O ATOM 1554 CB ARG A 105 -16.384 -4.590 -4.805 1.00 1.91 C ATOM 1555 CG ARG A 105 -17.594 -5.170 -5.546 1.00 2.72 C ATOM 1556 CD ARG A 105 -17.652 -4.560 -6.954 1.00 3.60 C ATOM 1557 NE ARG A 105 -18.986 -4.673 -7.562 1.00 4.44 N ATOM 1558 CZ ARG A 105 -19.997 -3.818 -7.340 1.00 4.76 C ATOM 1559 NH1 ARG A 105 -19.852 -2.841 -6.436 1.00 4.62 N ATOM 1560 NH2 ARG A 105 -21.147 -3.942 -8.013 1.00 5.93 N ATOM 0 H ARG A 105 -17.826 -5.482 -2.955 1.00 1.46 H new ATOM 0 HA ARG A 105 -15.572 -6.463 -4.111 1.00 1.64 H new ATOM 0 HB2 ARG A 105 -16.656 -3.624 -4.381 1.00 1.91 H new ATOM 0 HB3 ARG A 105 -15.581 -4.410 -5.520 1.00 1.91 H new ATOM 0 HG2 ARG A 105 -17.514 -6.255 -5.608 1.00 2.72 H new ATOM 0 HG3 ARG A 105 -18.512 -4.949 -5.001 1.00 2.72 H new ATOM 0 HD2 ARG A 105 -17.367 -3.509 -6.903 1.00 3.60 H new ATOM 0 HD3 ARG A 105 -16.922 -5.058 -7.592 1.00 3.60 H new ATOM 0 HE ARG A 105 -19.155 -5.454 -8.196 1.00 4.44 H new ATOM 0 HH11 ARG A 105 -18.977 -2.749 -5.920 1.00 4.62 H new ATOM 0 HH12 ARG A 105 -20.617 -2.188 -6.263 1.00 4.62 H new ATOM 0 HH21 ARG A 105 -21.259 -4.689 -8.699 1.00 5.93 H new ATOM 0 HH22 ARG A 105 -21.912 -3.290 -7.840 1.00 5.93 H new ATOM 1574 N HIS A 106 -13.621 -5.692 -2.706 1.00 1.56 N ATOM 1575 CA HIS A 106 -12.245 -5.266 -2.591 1.00 1.74 C ATOM 1576 C HIS A 106 -12.080 -4.190 -1.530 1.00 1.73 C ATOM 1577 O HIS A 106 -11.678 -3.062 -1.805 1.00 2.92 O ATOM 1578 CB HIS A 106 -11.724 -4.902 -3.978 1.00 2.19 C ATOM 1579 CG HIS A 106 -10.239 -5.072 -4.089 1.00 3.32 C ATOM 1580 ND1 HIS A 106 -9.634 -6.001 -4.895 1.00 4.67 N ATOM 1581 CD2 HIS A 106 -9.289 -4.592 -3.225 1.00 4.15 C ATOM 1582 CE1 HIS A 106 -8.361 -6.107 -4.500 1.00 5.80 C ATOM 1583 NE2 HIS A 106 -8.083 -5.242 -3.505 1.00 5.51 N ATOM 0 H HIS A 106 -13.762 -6.680 -2.497 1.00 1.56 H new ATOM 0 HA HIS A 106 -11.618 -6.080 -2.228 1.00 1.74 H new ATOM 0 HB2 HIS A 106 -12.216 -5.526 -4.724 1.00 2.19 H new ATOM 0 HB3 HIS A 106 -11.987 -3.869 -4.203 1.00 2.19 H new ATOM 0 HD1 HIS A 106 -10.074 -6.517 -5.657 1.00 4.67 H new ATOM 0 HD2 HIS A 106 -9.445 -3.843 -2.462 1.00 4.15 H new ATOM 0 HE1 HIS A 106 -7.647 -6.797 -4.924 1.00 5.80 H new ATOM 1591 N ALA A 107 -12.367 -4.584 -0.291 1.00 1.10 N ATOM 1592 CA ALA A 107 -12.251 -3.725 0.868 1.00 1.55 C ATOM 1593 C ALA A 107 -10.831 -3.173 1.001 1.00 1.30 C ATOM 1594 O ALA A 107 -10.613 -1.994 0.754 1.00 1.55 O ATOM 1595 CB ALA A 107 -12.666 -4.509 2.107 1.00 2.43 C ATOM 0 H ALA A 107 -12.691 -5.525 -0.069 1.00 1.10 H new ATOM 0 HA ALA A 107 -12.913 -2.867 0.754 1.00 1.55 H new ATOM 0 HB1 ALA A 107 -12.582 -3.871 2.987 1.00 2.43 H new ATOM 0 HB2 ALA A 107 -13.698 -4.843 1.998 1.00 2.43 H new ATOM 0 HB3 ALA A 107 -12.015 -5.375 2.224 1.00 2.43 H new ATOM 1601 N VAL A 108 -9.873 -4.013 1.402 1.00 1.05 N ATOM 1602 CA VAL A 108 -8.489 -3.623 1.618 1.00 0.95 C ATOM 1603 C VAL A 108 -7.607 -4.856 1.768 1.00 0.84 C ATOM 1604 O VAL A 108 -8.090 -5.940 2.091 1.00 0.93 O ATOM 1605 CB VAL A 108 -8.287 -2.771 2.890 1.00 1.17 C ATOM 1606 CG1 VAL A 108 -8.701 -1.312 2.771 1.00 1.38 C ATOM 1607 CG2 VAL A 108 -8.910 -3.395 4.147 1.00 1.36 C ATOM 0 H VAL A 108 -10.047 -5.001 1.587 1.00 1.05 H new ATOM 0 HA VAL A 108 -8.216 -3.030 0.745 1.00 0.95 H new ATOM 0 HB VAL A 108 -7.203 -2.772 3.002 1.00 1.17 H new ATOM 0 HG11 VAL A 108 -8.518 -0.804 3.718 1.00 1.38 H new ATOM 0 HG12 VAL A 108 -8.120 -0.832 1.983 1.00 1.38 H new ATOM 0 HG13 VAL A 108 -9.762 -1.254 2.526 1.00 1.38 H new ATOM 0 HG21 VAL A 108 -8.731 -2.745 5.003 1.00 1.36 H new ATOM 0 HG22 VAL A 108 -9.983 -3.514 4.000 1.00 1.36 H new ATOM 0 HG23 VAL A 108 -8.459 -4.370 4.331 1.00 1.36 H new ATOM 1617 N ILE A 109 -6.300 -4.631 1.627 1.00 0.82 N ATOM 1618 CA ILE A 109 -5.267 -5.518 2.136 1.00 0.73 C ATOM 1619 C ILE A 109 -5.131 -5.305 3.648 1.00 0.70 C ATOM 1620 O ILE A 109 -5.537 -4.262 4.159 1.00 0.92 O ATOM 1621 CB ILE A 109 -3.941 -5.174 1.425 1.00 0.97 C ATOM 1622 CG1 ILE A 109 -4.011 -5.475 -0.072 1.00 1.52 C ATOM 1623 CG2 ILE A 109 -2.711 -5.847 2.048 1.00 2.15 C ATOM 1624 CD1 ILE A 109 -2.830 -4.823 -0.792 1.00 2.08 C ATOM 0 H ILE A 109 -5.929 -3.811 1.147 1.00 0.82 H new ATOM 0 HA ILE A 109 -5.522 -6.561 1.948 1.00 0.73 H new ATOM 0 HB ILE A 109 -3.812 -4.101 1.566 1.00 0.97 H new ATOM 0 HG12 ILE A 109 -3.997 -6.553 -0.236 1.00 1.52 H new ATOM 0 HG13 ILE A 109 -4.949 -5.102 -0.483 1.00 1.52 H new ATOM 0 HG21 ILE A 109 -1.818 -5.557 1.494 1.00 2.15 H new ATOM 0 HG22 ILE A 109 -2.611 -5.533 3.087 1.00 2.15 H new ATOM 0 HG23 ILE A 109 -2.828 -6.930 2.006 1.00 2.15 H new ATOM 0 HD11 ILE A 109 -2.888 -5.043 -1.858 1.00 2.08 H new ATOM 0 HD12 ILE A 109 -2.863 -3.744 -0.641 1.00 2.08 H new ATOM 0 HD13 ILE A 109 -1.896 -5.217 -0.390 1.00 2.08 H new ATOM 1636 N SER A 110 -4.524 -6.265 4.356 1.00 0.70 N ATOM 1637 CA SER A 110 -4.024 -6.086 5.714 1.00 0.79 C ATOM 1638 C SER A 110 -2.524 -6.408 5.712 1.00 0.68 C ATOM 1639 O SER A 110 -2.136 -7.562 5.876 1.00 0.94 O ATOM 1640 CB SER A 110 -4.825 -6.973 6.677 1.00 1.03 C ATOM 1641 OG SER A 110 -4.586 -6.602 8.020 1.00 1.68 O ATOM 0 H SER A 110 -4.366 -7.204 3.989 1.00 0.70 H new ATOM 0 HA SER A 110 -4.151 -5.060 6.058 1.00 0.79 H new ATOM 0 HB2 SER A 110 -5.889 -6.889 6.456 1.00 1.03 H new ATOM 0 HB3 SER A 110 -4.551 -8.018 6.529 1.00 1.03 H new ATOM 0 HG SER A 110 -5.107 -7.179 8.616 1.00 1.68 H new ATOM 1647 N GLY A 111 -1.691 -5.395 5.451 1.00 0.55 N ATOM 1648 CA GLY A 111 -0.239 -5.500 5.334 1.00 0.54 C ATOM 1649 C GLY A 111 0.491 -4.871 6.526 1.00 0.49 C ATOM 1650 O GLY A 111 -0.123 -4.358 7.463 1.00 0.85 O ATOM 0 H GLY A 111 -2.027 -4.442 5.310 1.00 0.55 H new ATOM 0 HA2 GLY A 111 0.041 -6.550 5.253 1.00 0.54 H new ATOM 0 HA3 GLY A 111 0.085 -5.012 4.415 1.00 0.54 H new ATOM 1654 N SER A 112 1.822 -4.954 6.525 1.00 0.76 N ATOM 1655 CA SER A 112 2.694 -4.345 7.524 1.00 0.73 C ATOM 1656 C SER A 112 4.006 -3.943 6.845 1.00 0.53 C ATOM 1657 O SER A 112 4.220 -4.314 5.685 1.00 0.60 O ATOM 1658 CB SER A 112 2.868 -5.298 8.712 1.00 1.03 C ATOM 1659 OG SER A 112 1.647 -5.365 9.435 1.00 2.06 O ATOM 0 H SER A 112 2.336 -5.463 5.806 1.00 0.76 H new ATOM 0 HA SER A 112 2.257 -3.436 7.937 1.00 0.73 H new ATOM 0 HB2 SER A 112 3.152 -6.290 8.360 1.00 1.03 H new ATOM 0 HB3 SER A 112 3.671 -4.948 9.361 1.00 1.03 H new ATOM 0 HG SER A 112 0.932 -4.951 8.908 1.00 2.06 H new ATOM 1665 N VAL A 113 4.790 -3.067 7.492 1.00 0.53 N ATOM 1666 CA VAL A 113 5.821 -2.279 6.826 1.00 0.54 C ATOM 1667 C VAL A 113 7.184 -2.397 7.519 1.00 0.60 C ATOM 1668 O VAL A 113 7.265 -2.308 8.742 1.00 0.81 O ATOM 1669 CB VAL A 113 5.356 -0.816 6.676 1.00 0.64 C ATOM 1670 CG1 VAL A 113 3.828 -0.645 6.670 1.00 0.80 C ATOM 1671 CG2 VAL A 113 5.953 0.126 7.720 1.00 0.81 C ATOM 0 H VAL A 113 4.721 -2.890 8.494 1.00 0.53 H new ATOM 0 HA VAL A 113 5.968 -2.687 5.826 1.00 0.54 H new ATOM 0 HB VAL A 113 5.737 -0.537 5.694 1.00 0.64 H new ATOM 0 HG11 VAL A 113 3.580 0.411 6.561 1.00 0.80 H new ATOM 0 HG12 VAL A 113 3.402 -1.205 5.837 1.00 0.80 H new ATOM 0 HG13 VAL A 113 3.416 -1.019 7.607 1.00 0.80 H new ATOM 0 HG21 VAL A 113 5.582 1.137 7.553 1.00 0.81 H new ATOM 0 HG22 VAL A 113 5.664 -0.206 8.717 1.00 0.81 H new ATOM 0 HG23 VAL A 113 7.040 0.120 7.636 1.00 0.81 H new ATOM 1681 N LEU A 114 8.248 -2.535 6.722 1.00 0.63 N ATOM 1682 CA LEU A 114 9.622 -2.794 7.127 1.00 0.95 C ATOM 1683 C LEU A 114 10.503 -1.587 6.792 1.00 1.14 C ATOM 1684 O LEU A 114 10.734 -1.257 5.629 1.00 1.23 O ATOM 1685 CB LEU A 114 10.059 -4.083 6.426 1.00 1.23 C ATOM 1686 CG LEU A 114 11.500 -4.596 6.535 1.00 1.19 C ATOM 1687 CD1 LEU A 114 12.370 -4.151 5.355 1.00 2.04 C ATOM 1688 CD2 LEU A 114 12.163 -4.321 7.879 1.00 2.49 C ATOM 0 H LEU A 114 8.160 -2.463 5.708 1.00 0.63 H new ATOM 0 HA LEU A 114 9.716 -2.934 8.204 1.00 0.95 H new ATOM 0 HB2 LEU A 114 9.409 -4.879 6.789 1.00 1.23 H new ATOM 0 HB3 LEU A 114 9.845 -3.957 5.365 1.00 1.23 H new ATOM 0 HG LEU A 114 11.415 -5.681 6.480 1.00 1.19 H new ATOM 0 HD11 LEU A 114 13.380 -4.540 5.481 1.00 2.04 H new ATOM 0 HD12 LEU A 114 11.947 -4.533 4.426 1.00 2.04 H new ATOM 0 HD13 LEU A 114 12.403 -3.062 5.318 1.00 2.04 H new ATOM 0 HD21 LEU A 114 13.179 -4.716 7.871 1.00 2.49 H new ATOM 0 HD22 LEU A 114 12.193 -3.246 8.057 1.00 2.49 H new ATOM 0 HD23 LEU A 114 11.592 -4.804 8.672 1.00 2.49 H new ATOM 1700 N TYR A 115 11.022 -0.958 7.844 1.00 1.30 N ATOM 1701 CA TYR A 115 11.917 0.200 7.841 1.00 1.51 C ATOM 1702 C TYR A 115 13.337 -0.264 7.533 1.00 1.56 C ATOM 1703 O TYR A 115 14.250 -0.109 8.349 1.00 1.71 O ATOM 1704 CB TYR A 115 11.875 0.871 9.228 1.00 1.78 C ATOM 1705 CG TYR A 115 10.802 1.916 9.416 1.00 1.82 C ATOM 1706 CD1 TYR A 115 9.455 1.547 9.591 1.00 3.17 C ATOM 1707 CD2 TYR A 115 11.187 3.262 9.540 1.00 2.20 C ATOM 1708 CE1 TYR A 115 8.493 2.535 9.867 1.00 4.36 C ATOM 1709 CE2 TYR A 115 10.237 4.234 9.870 1.00 3.14 C ATOM 1710 CZ TYR A 115 8.894 3.870 10.037 1.00 4.15 C ATOM 1711 OH TYR A 115 7.992 4.824 10.386 1.00 5.45 O ATOM 0 H TYR A 115 10.813 -1.267 8.793 1.00 1.30 H new ATOM 0 HA TYR A 115 11.600 0.916 7.082 1.00 1.51 H new ATOM 0 HB2 TYR A 115 11.738 0.096 9.982 1.00 1.78 H new ATOM 0 HB3 TYR A 115 12.844 1.333 9.418 1.00 1.78 H new ATOM 0 HD1 TYR A 115 9.162 0.510 9.514 1.00 3.17 H new ATOM 0 HD2 TYR A 115 12.217 3.546 9.380 1.00 2.20 H new ATOM 0 HE1 TYR A 115 7.450 2.268 9.948 1.00 4.36 H new ATOM 0 HE2 TYR A 115 10.538 5.264 9.996 1.00 3.14 H new ATOM 0 HH TYR A 115 8.464 5.652 10.616 1.00 5.45 H new ATOM 1721 N ASN A 116 13.522 -0.896 6.373 1.00 1.54 N ATOM 1722 CA ASN A 116 14.780 -1.505 5.939 1.00 1.66 C ATOM 1723 C ASN A 116 15.204 -2.714 6.799 1.00 1.42 C ATOM 1724 O ASN A 116 15.661 -3.711 6.250 1.00 1.51 O ATOM 1725 CB ASN A 116 15.876 -0.432 5.808 1.00 2.02 C ATOM 1726 CG ASN A 116 17.213 -0.998 5.338 1.00 2.77 C ATOM 1727 OD1 ASN A 116 17.277 -1.776 4.394 1.00 3.68 O ATOM 1728 ND2 ASN A 116 18.303 -0.599 5.990 1.00 3.42 N ATOM 0 H ASN A 116 12.775 -1.001 5.687 1.00 1.54 H new ATOM 0 HA ASN A 116 14.616 -1.930 4.949 1.00 1.66 H new ATOM 0 HB2 ASN A 116 15.545 0.333 5.106 1.00 2.02 H new ATOM 0 HB3 ASN A 116 16.014 0.058 6.772 1.00 2.02 H new ATOM 0 HD21 ASN A 116 19.221 -0.942 5.707 1.00 3.42 H new ATOM 0 HD22 ASN A 116 18.220 0.050 6.773 1.00 3.42 H new ATOM 1735 N GLN A 117 15.079 -2.645 8.133 1.00 1.29 N ATOM 1736 CA GLN A 117 15.598 -3.620 9.085 1.00 1.21 C ATOM 1737 C GLN A 117 14.573 -4.045 10.148 1.00 1.31 C ATOM 1738 O GLN A 117 14.737 -5.103 10.749 1.00 1.59 O ATOM 1739 CB GLN A 117 16.802 -3.012 9.821 1.00 1.16 C ATOM 1740 CG GLN A 117 17.830 -2.293 8.929 1.00 1.46 C ATOM 1741 CD GLN A 117 18.035 -0.837 9.348 1.00 1.45 C ATOM 1742 OE1 GLN A 117 19.142 -0.476 9.735 1.00 2.44 O ATOM 1743 NE2 GLN A 117 17.005 0.009 9.294 1.00 1.62 N ATOM 0 H GLN A 117 14.592 -1.874 8.590 1.00 1.29 H new ATOM 0 HA GLN A 117 15.866 -4.503 8.505 1.00 1.21 H new ATOM 0 HB2 GLN A 117 16.432 -2.304 10.563 1.00 1.16 H new ATOM 0 HB3 GLN A 117 17.312 -3.807 10.365 1.00 1.16 H new ATOM 0 HG2 GLN A 117 18.782 -2.821 8.976 1.00 1.46 H new ATOM 0 HG3 GLN A 117 17.497 -2.328 7.892 1.00 1.46 H new ATOM 0 HE21 GLN A 117 16.095 -0.316 8.968 1.00 1.62 H new ATOM 0 HE22 GLN A 117 17.128 0.981 9.578 1.00 1.62 H new ATOM 1752 N ALA A 118 13.561 -3.215 10.434 1.00 1.27 N ATOM 1753 CA ALA A 118 12.633 -3.410 11.544 1.00 1.34 C ATOM 1754 C ALA A 118 11.215 -3.246 11.022 1.00 1.18 C ATOM 1755 O ALA A 118 10.972 -2.328 10.245 1.00 1.44 O ATOM 1756 CB ALA A 118 12.886 -2.355 12.625 1.00 1.52 C ATOM 0 H ALA A 118 13.365 -2.376 9.888 1.00 1.27 H new ATOM 0 HA ALA A 118 12.774 -4.404 11.969 1.00 1.34 H new ATOM 0 HB1 ALA A 118 12.190 -2.506 13.451 1.00 1.52 H new ATOM 0 HB2 ALA A 118 13.909 -2.447 12.991 1.00 1.52 H new ATOM 0 HB3 ALA A 118 12.739 -1.360 12.204 1.00 1.52 H new ATOM 1762 N GLU A 119 10.289 -4.106 11.447 1.00 1.05 N ATOM 1763 CA GLU A 119 8.893 -4.036 11.059 1.00 1.06 C ATOM 1764 C GLU A 119 8.079 -3.907 12.334 1.00 1.19 C ATOM 1765 O GLU A 119 7.959 -4.876 13.083 1.00 1.73 O ATOM 1766 CB GLU A 119 8.514 -5.281 10.240 1.00 1.58 C ATOM 1767 CG GLU A 119 7.002 -5.394 9.982 1.00 1.72 C ATOM 1768 CD GLU A 119 6.682 -6.330 8.824 1.00 2.76 C ATOM 1769 OE1 GLU A 119 5.642 -6.084 8.175 1.00 3.75 O ATOM 1770 OE2 GLU A 119 7.475 -7.272 8.611 1.00 3.53 O ATOM 0 H GLU A 119 10.497 -4.879 12.079 1.00 1.05 H new ATOM 0 HA GLU A 119 8.693 -3.176 10.420 1.00 1.06 H new ATOM 0 HB2 GLU A 119 9.039 -5.254 9.285 1.00 1.58 H new ATOM 0 HB3 GLU A 119 8.855 -6.173 10.766 1.00 1.58 H new ATOM 0 HG2 GLU A 119 6.508 -5.754 10.884 1.00 1.72 H new ATOM 0 HG3 GLU A 119 6.597 -4.405 9.769 1.00 1.72 H new ATOM 1777 N LYS A 120 7.543 -2.713 12.614 1.00 0.95 N ATOM 1778 CA LYS A 120 6.624 -2.548 13.714 1.00 1.20 C ATOM 1779 C LYS A 120 5.530 -1.539 13.370 1.00 1.28 C ATOM 1780 O LYS A 120 5.076 -0.780 14.225 1.00 1.99 O ATOM 1781 CB LYS A 120 7.428 -2.223 14.984 1.00 1.55 C ATOM 1782 CG LYS A 120 7.137 -3.309 16.013 1.00 1.98 C ATOM 1783 CD LYS A 120 5.678 -3.280 16.446 1.00 1.90 C ATOM 1784 CE LYS A 120 5.441 -2.153 17.456 1.00 2.88 C ATOM 1785 NZ LYS A 120 4.144 -2.290 18.146 1.00 3.93 N ATOM 0 H LYS A 120 7.737 -1.860 12.090 1.00 0.95 H new ATOM 0 HA LYS A 120 6.082 -3.473 13.912 1.00 1.20 H new ATOM 0 HB2 LYS A 120 8.494 -2.184 14.761 1.00 1.55 H new ATOM 0 HB3 LYS A 120 7.148 -1.244 15.373 1.00 1.55 H new ATOM 0 HG2 LYS A 120 7.375 -4.286 15.592 1.00 1.98 H new ATOM 0 HG3 LYS A 120 7.780 -3.172 16.882 1.00 1.98 H new ATOM 0 HD2 LYS A 120 5.037 -3.137 15.576 1.00 1.90 H new ATOM 0 HD3 LYS A 120 5.405 -4.237 16.890 1.00 1.90 H new ATOM 0 HE2 LYS A 120 6.245 -2.152 18.192 1.00 2.88 H new ATOM 0 HE3 LYS A 120 5.478 -1.192 16.942 1.00 2.88 H new ATOM 0 HZ1 LYS A 120 4.025 -1.507 18.820 1.00 3.93 H new ATOM 0 HZ2 LYS A 120 3.374 -2.265 17.447 1.00 3.93 H new ATOM 0 HZ3 LYS A 120 4.117 -3.195 18.658 1.00 3.93 H new ATOM 1799 N GLY A 121 5.076 -1.590 12.119 1.00 0.78 N ATOM 1800 CA GLY A 121 4.098 -0.686 11.531 1.00 0.72 C ATOM 1801 C GLY A 121 3.196 -1.445 10.566 1.00 0.44 C ATOM 1802 O GLY A 121 3.603 -2.465 10.013 1.00 0.52 O ATOM 0 H GLY A 121 5.398 -2.298 11.459 1.00 0.78 H new ATOM 0 HA2 GLY A 121 3.498 -0.226 12.316 1.00 0.72 H new ATOM 0 HA3 GLY A 121 4.608 0.122 11.005 1.00 0.72 H new ATOM 1806 N SER A 122 1.964 -0.960 10.412 1.00 0.53 N ATOM 1807 CA SER A 122 0.840 -1.640 9.780 1.00 0.53 C ATOM 1808 C SER A 122 0.429 -0.914 8.494 1.00 0.50 C ATOM 1809 O SER A 122 0.812 0.236 8.296 1.00 0.91 O ATOM 1810 CB SER A 122 -0.304 -1.748 10.801 1.00 0.85 C ATOM 1811 OG SER A 122 -0.247 -0.752 11.820 1.00 1.03 O ATOM 0 H SER A 122 1.712 -0.029 10.745 1.00 0.53 H new ATOM 0 HA SER A 122 1.120 -2.650 9.480 1.00 0.53 H new ATOM 0 HB2 SER A 122 -1.257 -1.669 10.278 1.00 0.85 H new ATOM 0 HB3 SER A 122 -0.276 -2.734 11.265 1.00 0.85 H new ATOM 0 HG SER A 122 -1.097 -0.266 11.850 1.00 1.03 H new ATOM 1817 N TYR A 123 -0.331 -1.560 7.603 1.00 0.49 N ATOM 1818 CA TYR A 123 -0.836 -0.928 6.388 1.00 0.61 C ATOM 1819 C TYR A 123 -2.090 -1.638 5.888 1.00 0.59 C ATOM 1820 O TYR A 123 -2.272 -2.827 6.135 1.00 0.60 O ATOM 1821 CB TYR A 123 0.279 -0.898 5.330 1.00 0.98 C ATOM 1822 CG TYR A 123 -0.141 -0.707 3.882 1.00 0.65 C ATOM 1823 CD1 TYR A 123 -0.330 0.589 3.371 1.00 1.80 C ATOM 1824 CD2 TYR A 123 -0.173 -1.807 3.002 1.00 1.67 C ATOM 1825 CE1 TYR A 123 -0.345 0.806 1.984 1.00 2.32 C ATOM 1826 CE2 TYR A 123 -0.251 -1.593 1.615 1.00 1.73 C ATOM 1827 CZ TYR A 123 -0.237 -0.284 1.107 1.00 1.66 C ATOM 1828 OH TYR A 123 -0.073 -0.075 -0.228 1.00 2.27 O ATOM 0 H TYR A 123 -0.611 -2.535 7.707 1.00 0.49 H new ATOM 0 HA TYR A 123 -1.127 0.100 6.603 1.00 0.61 H new ATOM 0 HB2 TYR A 123 0.969 -0.096 5.590 1.00 0.98 H new ATOM 0 HB3 TYR A 123 0.836 -1.833 5.400 1.00 0.98 H new ATOM 0 HD1 TYR A 123 -0.464 1.420 4.047 1.00 1.80 H new ATOM 0 HD2 TYR A 123 -0.138 -2.813 3.393 1.00 1.67 H new ATOM 0 HE1 TYR A 123 -0.439 1.808 1.593 1.00 2.32 H new ATOM 0 HE2 TYR A 123 -0.322 -2.434 0.941 1.00 1.73 H new ATOM 0 HH TYR A 123 -0.015 -0.938 -0.689 1.00 2.27 H new ATOM 1838 N SER A 124 -2.952 -0.923 5.164 1.00 0.77 N ATOM 1839 CA SER A 124 -4.132 -1.501 4.544 1.00 0.95 C ATOM 1840 C SER A 124 -4.484 -0.694 3.300 1.00 0.84 C ATOM 1841 O SER A 124 -4.450 0.536 3.364 1.00 0.88 O ATOM 1842 CB SER A 124 -5.283 -1.508 5.555 1.00 1.14 C ATOM 1843 OG SER A 124 -5.403 -0.233 6.162 1.00 1.57 O ATOM 0 H SER A 124 -2.846 0.077 4.994 1.00 0.77 H new ATOM 0 HA SER A 124 -3.942 -2.531 4.242 1.00 0.95 H new ATOM 0 HB2 SER A 124 -6.215 -1.771 5.055 1.00 1.14 H new ATOM 0 HB3 SER A 124 -5.104 -2.267 6.317 1.00 1.14 H new ATOM 0 HG SER A 124 -5.046 0.452 5.558 1.00 1.57 H new ATOM 1849 N LEU A 125 -4.785 -1.372 2.185 1.00 0.79 N ATOM 1850 CA LEU A 125 -4.922 -0.730 0.873 1.00 0.75 C ATOM 1851 C LEU A 125 -5.946 -1.438 -0.027 1.00 0.88 C ATOM 1852 O LEU A 125 -5.793 -2.623 -0.347 1.00 1.26 O ATOM 1853 CB LEU A 125 -3.522 -0.663 0.248 1.00 0.71 C ATOM 1854 CG LEU A 125 -3.373 0.041 -1.111 1.00 0.70 C ATOM 1855 CD1 LEU A 125 -3.862 -0.791 -2.295 1.00 0.89 C ATOM 1856 CD2 LEU A 125 -3.983 1.437 -1.106 1.00 0.70 C ATOM 0 H LEU A 125 -4.940 -2.380 2.168 1.00 0.79 H new ATOM 0 HA LEU A 125 -5.322 0.277 0.989 1.00 0.75 H new ATOM 0 HB2 LEU A 125 -2.863 -0.163 0.958 1.00 0.71 H new ATOM 0 HB3 LEU A 125 -3.156 -1.684 0.138 1.00 0.71 H new ATOM 0 HG LEU A 125 -2.299 0.154 -1.258 1.00 0.70 H new ATOM 0 HD11 LEU A 125 -3.724 -0.227 -3.218 1.00 0.89 H new ATOM 0 HD12 LEU A 125 -3.292 -1.719 -2.348 1.00 0.89 H new ATOM 0 HD13 LEU A 125 -4.919 -1.022 -2.165 1.00 0.89 H new ATOM 0 HD21 LEU A 125 -3.853 1.894 -2.087 1.00 0.70 H new ATOM 0 HD22 LEU A 125 -5.046 1.369 -0.875 1.00 0.70 H new ATOM 0 HD23 LEU A 125 -3.487 2.048 -0.352 1.00 0.70 H new ATOM 1868 N GLY A 126 -6.978 -0.708 -0.470 1.00 0.70 N ATOM 1869 CA GLY A 126 -8.075 -1.177 -1.314 1.00 0.74 C ATOM 1870 C GLY A 126 -8.039 -0.487 -2.677 1.00 0.72 C ATOM 1871 O GLY A 126 -7.540 0.632 -2.772 1.00 1.06 O ATOM 0 H GLY A 126 -7.071 0.280 -0.234 1.00 0.70 H new ATOM 0 HA2 GLY A 126 -8.004 -2.257 -1.445 1.00 0.74 H new ATOM 0 HA3 GLY A 126 -9.028 -0.977 -0.825 1.00 0.74 H new ATOM 1875 N ILE A 127 -8.527 -1.166 -3.725 1.00 0.81 N ATOM 1876 CA ILE A 127 -8.647 -0.608 -5.083 1.00 0.77 C ATOM 1877 C ILE A 127 -10.103 -0.270 -5.333 1.00 0.72 C ATOM 1878 O ILE A 127 -10.971 -1.022 -4.895 1.00 0.97 O ATOM 1879 CB ILE A 127 -8.099 -1.544 -6.190 1.00 1.19 C ATOM 1880 CG1 ILE A 127 -8.530 -1.145 -7.617 1.00 1.45 C ATOM 1881 CG2 ILE A 127 -8.413 -3.015 -5.964 1.00 1.64 C ATOM 1882 CD1 ILE A 127 -9.864 -1.727 -8.118 1.00 2.49 C ATOM 0 H ILE A 127 -8.854 -2.130 -3.654 1.00 0.81 H new ATOM 0 HA ILE A 127 -8.027 0.287 -5.133 1.00 0.77 H new ATOM 0 HB ILE A 127 -7.020 -1.410 -6.110 1.00 1.19 H new ATOM 0 HG12 ILE A 127 -8.593 -0.058 -7.663 1.00 1.45 H new ATOM 0 HG13 ILE A 127 -7.744 -1.448 -8.308 1.00 1.45 H new ATOM 0 HG21 ILE A 127 -7.997 -3.605 -6.780 1.00 1.64 H new ATOM 0 HG22 ILE A 127 -7.974 -3.340 -5.021 1.00 1.64 H new ATOM 0 HG23 ILE A 127 -9.493 -3.155 -5.929 1.00 1.64 H new ATOM 0 HD11 ILE A 127 -10.057 -1.375 -9.131 1.00 2.49 H new ATOM 0 HD12 ILE A 127 -9.809 -2.816 -8.117 1.00 2.49 H new ATOM 0 HD13 ILE A 127 -10.672 -1.403 -7.461 1.00 2.49 H new ATOM 1894 N PHE A 128 -10.355 0.823 -6.064 1.00 0.64 N ATOM 1895 CA PHE A 128 -11.702 1.233 -6.408 1.00 0.70 C ATOM 1896 C PHE A 128 -11.779 1.802 -7.821 1.00 1.11 C ATOM 1897 O PHE A 128 -10.769 2.010 -8.501 1.00 1.47 O ATOM 1898 CB PHE A 128 -12.198 2.244 -5.360 1.00 1.67 C ATOM 1899 CG PHE A 128 -12.132 1.719 -3.939 1.00 3.07 C ATOM 1900 CD1 PHE A 128 -13.047 0.730 -3.532 1.00 4.25 C ATOM 1901 CD2 PHE A 128 -11.012 2.008 -3.134 1.00 4.52 C ATOM 1902 CE1 PHE A 128 -12.846 0.034 -2.329 1.00 6.06 C ATOM 1903 CE2 PHE A 128 -10.826 1.329 -1.917 1.00 6.44 C ATOM 1904 CZ PHE A 128 -11.748 0.349 -1.512 1.00 7.01 C ATOM 0 H PHE A 128 -9.627 1.439 -6.427 1.00 0.64 H new ATOM 0 HA PHE A 128 -12.353 0.359 -6.399 1.00 0.70 H new ATOM 0 HB2 PHE A 128 -11.601 3.153 -5.432 1.00 1.67 H new ATOM 0 HB3 PHE A 128 -13.227 2.520 -5.590 1.00 1.67 H new ATOM 0 HD1 PHE A 128 -13.906 0.506 -4.147 1.00 4.25 H new ATOM 0 HD2 PHE A 128 -10.296 2.751 -3.452 1.00 4.52 H new ATOM 0 HE1 PHE A 128 -13.535 -0.743 -2.032 1.00 6.06 H new ATOM 0 HE2 PHE A 128 -9.975 1.561 -1.294 1.00 6.44 H new ATOM 0 HZ PHE A 128 -11.612 -0.163 -0.571 1.00 7.01 H new ATOM 1914 N GLY A 129 -13.021 2.013 -8.264 1.00 1.88 N ATOM 1915 CA GLY A 129 -13.344 2.559 -9.572 1.00 2.85 C ATOM 1916 C GLY A 129 -13.746 1.455 -10.552 1.00 2.09 C ATOM 1917 O GLY A 129 -14.345 1.739 -11.587 1.00 2.80 O ATOM 0 H GLY A 129 -13.847 1.801 -7.704 1.00 1.88 H new ATOM 0 HA2 GLY A 129 -14.158 3.278 -9.477 1.00 2.85 H new ATOM 0 HA3 GLY A 129 -12.484 3.101 -9.965 1.00 2.85 H new ATOM 1921 N GLY A 130 -13.390 0.203 -10.260 1.00 1.19 N ATOM 1922 CA GLY A 130 -13.974 -0.958 -10.931 1.00 1.49 C ATOM 1923 C GLY A 130 -13.321 -1.242 -12.281 1.00 1.62 C ATOM 1924 O GLY A 130 -13.893 -1.926 -13.133 1.00 2.53 O ATOM 0 H GLY A 130 -12.692 -0.034 -9.555 1.00 1.19 H new ATOM 0 HA2 GLY A 130 -13.872 -1.834 -10.290 1.00 1.49 H new ATOM 0 HA3 GLY A 130 -15.042 -0.792 -11.075 1.00 1.49 H new ATOM 1928 N LYS A 131 -12.110 -0.715 -12.469 1.00 1.28 N ATOM 1929 CA LYS A 131 -11.140 -1.152 -13.457 1.00 1.36 C ATOM 1930 C LYS A 131 -9.778 -0.578 -13.061 1.00 1.26 C ATOM 1931 O LYS A 131 -9.095 -0.010 -13.903 1.00 1.61 O ATOM 1932 CB LYS A 131 -11.571 -0.803 -14.898 1.00 1.67 C ATOM 1933 CG LYS A 131 -11.936 0.670 -15.145 1.00 1.83 C ATOM 1934 CD LYS A 131 -12.272 0.860 -16.635 1.00 2.25 C ATOM 1935 CE LYS A 131 -12.868 2.234 -16.988 1.00 2.96 C ATOM 1936 NZ LYS A 131 -11.931 3.353 -16.766 1.00 3.10 N ATOM 0 H LYS A 131 -11.769 0.065 -11.907 1.00 1.28 H new ATOM 0 HA LYS A 131 -11.071 -2.240 -13.464 1.00 1.36 H new ATOM 0 HB2 LYS A 131 -10.763 -1.077 -15.576 1.00 1.67 H new ATOM 0 HB3 LYS A 131 -12.430 -1.420 -15.161 1.00 1.67 H new ATOM 0 HG2 LYS A 131 -12.788 0.955 -14.528 1.00 1.83 H new ATOM 0 HG3 LYS A 131 -11.106 1.316 -14.861 1.00 1.83 H new ATOM 0 HD2 LYS A 131 -11.365 0.711 -17.220 1.00 2.25 H new ATOM 0 HD3 LYS A 131 -12.976 0.085 -16.937 1.00 2.25 H new ATOM 0 HE2 LYS A 131 -13.177 2.230 -18.033 1.00 2.96 H new ATOM 0 HE3 LYS A 131 -13.765 2.397 -16.391 1.00 2.96 H new ATOM 0 HZ1 LYS A 131 -12.230 4.173 -17.331 1.00 3.10 H new ATOM 0 HZ2 LYS A 131 -11.929 3.609 -15.758 1.00 3.10 H new ATOM 0 HZ3 LYS A 131 -10.973 3.066 -17.052 1.00 3.10 H new ATOM 1950 N ALA A 132 -9.430 -0.707 -11.767 1.00 1.08 N ATOM 1951 CA ALA A 132 -8.200 -0.222 -11.148 1.00 1.06 C ATOM 1952 C ALA A 132 -7.830 1.175 -11.621 1.00 1.17 C ATOM 1953 O ALA A 132 -7.091 1.327 -12.589 1.00 1.67 O ATOM 1954 CB ALA A 132 -7.053 -1.194 -11.389 1.00 1.19 C ATOM 0 H ALA A 132 -10.037 -1.179 -11.097 1.00 1.08 H new ATOM 0 HA ALA A 132 -8.385 -0.160 -10.076 1.00 1.06 H new ATOM 0 HB1 ALA A 132 -6.147 -0.812 -10.919 1.00 1.19 H new ATOM 0 HB2 ALA A 132 -7.302 -2.165 -10.960 1.00 1.19 H new ATOM 0 HB3 ALA A 132 -6.887 -1.303 -12.461 1.00 1.19 H new ATOM 1960 N GLN A 133 -8.335 2.193 -10.923 1.00 0.91 N ATOM 1961 CA GLN A 133 -8.089 3.580 -11.273 1.00 0.98 C ATOM 1962 C GLN A 133 -7.335 4.220 -10.120 1.00 0.99 C ATOM 1963 O GLN A 133 -6.195 4.667 -10.286 1.00 1.27 O ATOM 1964 CB GLN A 133 -9.412 4.265 -11.630 1.00 1.07 C ATOM 1965 CG GLN A 133 -9.786 3.827 -13.059 1.00 1.69 C ATOM 1966 CD GLN A 133 -11.269 3.571 -13.254 1.00 1.58 C ATOM 1967 OE1 GLN A 133 -11.882 4.084 -14.186 1.00 1.98 O ATOM 1968 NE2 GLN A 133 -11.834 2.690 -12.442 1.00 2.30 N ATOM 0 H GLN A 133 -8.925 2.072 -10.100 1.00 0.91 H new ATOM 0 HA GLN A 133 -7.467 3.681 -12.162 1.00 0.98 H new ATOM 0 HB2 GLN A 133 -10.193 3.982 -10.925 1.00 1.07 H new ATOM 0 HB3 GLN A 133 -9.310 5.349 -11.575 1.00 1.07 H new ATOM 0 HG2 GLN A 133 -9.465 4.597 -13.761 1.00 1.69 H new ATOM 0 HG3 GLN A 133 -9.235 2.920 -13.307 1.00 1.69 H new ATOM 0 HE21 GLN A 133 -11.296 2.283 -11.677 1.00 2.30 H new ATOM 0 HE22 GLN A 133 -12.807 2.419 -12.582 1.00 2.30 H new ATOM 1977 N GLU A 134 -7.978 4.186 -8.953 1.00 0.84 N ATOM 1978 CA GLU A 134 -7.513 4.747 -7.706 1.00 0.83 C ATOM 1979 C GLU A 134 -7.431 3.629 -6.668 1.00 0.77 C ATOM 1980 O GLU A 134 -8.208 2.669 -6.726 1.00 1.19 O ATOM 1981 CB GLU A 134 -8.493 5.853 -7.282 1.00 1.02 C ATOM 1982 CG GLU A 134 -8.896 6.709 -8.497 1.00 1.19 C ATOM 1983 CD GLU A 134 -9.336 8.115 -8.142 1.00 1.67 C ATOM 1984 OE1 GLU A 134 -9.502 8.439 -6.944 1.00 1.98 O ATOM 1985 OE2 GLU A 134 -9.371 8.955 -9.068 1.00 2.72 O ATOM 0 H GLU A 134 -8.889 3.738 -8.858 1.00 0.84 H new ATOM 0 HA GLU A 134 -6.520 5.186 -7.807 1.00 0.83 H new ATOM 0 HB2 GLU A 134 -9.381 5.408 -6.832 1.00 1.02 H new ATOM 0 HB3 GLU A 134 -8.032 6.484 -6.522 1.00 1.02 H new ATOM 0 HG2 GLU A 134 -8.052 6.766 -9.184 1.00 1.19 H new ATOM 0 HG3 GLU A 134 -9.706 6.209 -9.028 1.00 1.19 H new ATOM 1992 N VAL A 135 -6.498 3.759 -5.721 1.00 0.55 N ATOM 1993 CA VAL A 135 -6.453 2.927 -4.527 1.00 0.54 C ATOM 1994 C VAL A 135 -6.518 3.849 -3.313 1.00 0.67 C ATOM 1995 O VAL A 135 -5.936 4.935 -3.331 1.00 1.12 O ATOM 1996 CB VAL A 135 -5.246 1.960 -4.496 1.00 0.58 C ATOM 1997 CG1 VAL A 135 -5.370 0.844 -5.531 1.00 0.87 C ATOM 1998 CG2 VAL A 135 -3.869 2.601 -4.660 1.00 0.79 C ATOM 0 H VAL A 135 -5.750 4.451 -5.766 1.00 0.55 H new ATOM 0 HA VAL A 135 -7.313 2.257 -4.522 1.00 0.54 H new ATOM 0 HB VAL A 135 -5.296 1.564 -3.482 1.00 0.58 H new ATOM 0 HG11 VAL A 135 -4.499 0.192 -5.469 1.00 0.87 H new ATOM 0 HG12 VAL A 135 -6.272 0.264 -5.334 1.00 0.87 H new ATOM 0 HG13 VAL A 135 -5.428 1.278 -6.529 1.00 0.87 H new ATOM 0 HG21 VAL A 135 -3.101 1.828 -4.622 1.00 0.79 H new ATOM 0 HG22 VAL A 135 -3.819 3.116 -5.620 1.00 0.79 H new ATOM 0 HG23 VAL A 135 -3.703 3.317 -3.855 1.00 0.79 H new ATOM 2008 N ALA A 136 -7.260 3.427 -2.288 1.00 0.58 N ATOM 2009 CA ALA A 136 -7.455 4.165 -1.051 1.00 0.70 C ATOM 2010 C ALA A 136 -7.028 3.248 0.087 1.00 0.69 C ATOM 2011 O ALA A 136 -7.348 2.057 0.078 1.00 0.73 O ATOM 2012 CB ALA A 136 -8.915 4.605 -0.913 1.00 0.84 C ATOM 0 H ALA A 136 -7.754 2.535 -2.302 1.00 0.58 H new ATOM 0 HA ALA A 136 -6.858 5.077 -1.036 1.00 0.70 H new ATOM 0 HB1 ALA A 136 -9.042 5.156 0.019 1.00 0.84 H new ATOM 0 HB2 ALA A 136 -9.183 5.246 -1.753 1.00 0.84 H new ATOM 0 HB3 ALA A 136 -9.561 3.727 -0.906 1.00 0.84 H new ATOM 2018 N GLY A 137 -6.227 3.775 1.009 1.00 0.70 N ATOM 2019 CA GLY A 137 -5.546 2.987 2.012 1.00 0.71 C ATOM 2020 C GLY A 137 -5.173 3.847 3.203 1.00 0.73 C ATOM 2021 O GLY A 137 -5.449 5.046 3.241 1.00 0.87 O ATOM 0 H GLY A 137 -6.035 4.775 1.075 1.00 0.70 H new ATOM 0 HA2 GLY A 137 -6.187 2.167 2.335 1.00 0.71 H new ATOM 0 HA3 GLY A 137 -4.649 2.540 1.584 1.00 0.71 H new ATOM 2025 N SER A 138 -4.526 3.231 4.184 1.00 0.71 N ATOM 2026 CA SER A 138 -3.718 3.951 5.148 1.00 0.72 C ATOM 2027 C SER A 138 -2.504 3.082 5.454 1.00 0.73 C ATOM 2028 O SER A 138 -2.645 1.866 5.584 1.00 0.83 O ATOM 2029 CB SER A 138 -4.542 4.255 6.402 1.00 0.91 C ATOM 2030 OG SER A 138 -5.696 4.999 6.053 1.00 1.47 O ATOM 0 H SER A 138 -4.549 2.222 4.330 1.00 0.71 H new ATOM 0 HA SER A 138 -3.387 4.912 4.755 1.00 0.72 H new ATOM 0 HB2 SER A 138 -4.832 3.325 6.891 1.00 0.91 H new ATOM 0 HB3 SER A 138 -3.939 4.816 7.116 1.00 0.91 H new ATOM 0 HG SER A 138 -5.666 5.221 5.099 1.00 1.47 H new ATOM 2036 N ALA A 139 -1.322 3.695 5.549 1.00 0.84 N ATOM 2037 CA ALA A 139 -0.185 3.094 6.217 1.00 0.94 C ATOM 2038 C ALA A 139 -0.114 3.703 7.604 1.00 0.89 C ATOM 2039 O ALA A 139 -0.156 4.920 7.735 1.00 1.01 O ATOM 2040 CB ALA A 139 1.124 3.361 5.482 1.00 1.00 C ATOM 0 H ALA A 139 -1.135 4.620 5.163 1.00 0.84 H new ATOM 0 HA ALA A 139 -0.317 2.012 6.248 1.00 0.94 H new ATOM 0 HB1 ALA A 139 1.946 2.891 6.021 1.00 1.00 H new ATOM 0 HB2 ALA A 139 1.067 2.948 4.475 1.00 1.00 H new ATOM 0 HB3 ALA A 139 1.296 4.436 5.424 1.00 1.00 H new ATOM 2046 N GLU A 140 0.032 2.853 8.611 1.00 0.83 N ATOM 2047 CA GLU A 140 0.461 3.237 9.936 1.00 0.85 C ATOM 2048 C GLU A 140 1.916 2.843 10.057 1.00 0.88 C ATOM 2049 O GLU A 140 2.269 1.817 10.644 1.00 1.01 O ATOM 2050 CB GLU A 140 -0.303 2.507 11.015 1.00 1.20 C ATOM 2051 CG GLU A 140 -1.686 3.059 11.289 1.00 2.08 C ATOM 2052 CD GLU A 140 -2.206 2.364 12.538 1.00 2.23 C ATOM 2053 OE1 GLU A 140 -1.922 1.149 12.672 1.00 2.95 O ATOM 2054 OE2 GLU A 140 -2.687 3.091 13.436 1.00 2.80 O ATOM 0 H GLU A 140 -0.151 1.854 8.520 1.00 0.83 H new ATOM 0 HA GLU A 140 0.292 4.306 10.066 1.00 0.85 H new ATOM 0 HB2 GLU A 140 -0.394 1.458 10.732 1.00 1.20 H new ATOM 0 HB3 GLU A 140 0.276 2.539 11.938 1.00 1.20 H new ATOM 0 HG2 GLU A 140 -1.648 4.138 11.437 1.00 2.08 H new ATOM 0 HG3 GLU A 140 -2.348 2.876 10.443 1.00 2.08 H new ATOM 2061 N VAL A 141 2.756 3.708 9.525 1.00 1.17 N ATOM 2062 CA VAL A 141 4.178 3.603 9.767 1.00 1.16 C ATOM 2063 C VAL A 141 4.394 4.254 11.129 1.00 1.07 C ATOM 2064 O VAL A 141 4.081 5.430 11.294 1.00 1.28 O ATOM 2065 CB VAL A 141 4.979 4.184 8.593 1.00 1.23 C ATOM 2066 CG1 VAL A 141 4.399 3.668 7.267 1.00 2.55 C ATOM 2067 CG2 VAL A 141 5.033 5.714 8.539 1.00 2.36 C ATOM 0 H VAL A 141 2.480 4.486 8.926 1.00 1.17 H new ATOM 0 HA VAL A 141 4.551 2.580 9.812 1.00 1.16 H new ATOM 0 HB VAL A 141 6.003 3.847 8.751 1.00 1.23 H new ATOM 0 HG11 VAL A 141 4.969 4.082 6.435 1.00 2.55 H new ATOM 0 HG12 VAL A 141 4.459 2.580 7.243 1.00 2.55 H new ATOM 0 HG13 VAL A 141 3.357 3.976 7.181 1.00 2.55 H new ATOM 0 HG21 VAL A 141 5.621 6.027 7.676 1.00 2.36 H new ATOM 0 HG22 VAL A 141 4.022 6.111 8.453 1.00 2.36 H new ATOM 0 HG23 VAL A 141 5.495 6.094 9.450 1.00 2.36 H new ATOM 2077 N LYS A 142 4.783 3.472 12.141 1.00 1.09 N ATOM 2078 CA LYS A 142 4.823 3.935 13.523 1.00 1.27 C ATOM 2079 C LYS A 142 6.189 3.570 14.079 1.00 1.30 C ATOM 2080 O LYS A 142 6.537 2.394 14.175 1.00 1.57 O ATOM 2081 CB LYS A 142 3.644 3.358 14.327 1.00 1.73 C ATOM 2082 CG LYS A 142 3.765 1.850 14.564 1.00 2.00 C ATOM 2083 CD LYS A 142 2.465 1.141 14.996 1.00 2.33 C ATOM 2084 CE LYS A 142 1.310 1.422 14.022 1.00 4.00 C ATOM 2085 NZ LYS A 142 0.196 0.452 14.087 1.00 4.77 N ATOM 0 H LYS A 142 5.078 2.503 12.021 1.00 1.09 H new ATOM 0 HA LYS A 142 4.700 5.016 13.592 1.00 1.27 H new ATOM 0 HB2 LYS A 142 3.582 3.868 15.288 1.00 1.73 H new ATOM 0 HB3 LYS A 142 2.714 3.564 13.797 1.00 1.73 H new ATOM 0 HG2 LYS A 142 4.126 1.383 13.647 1.00 2.00 H new ATOM 0 HG3 LYS A 142 4.523 1.679 15.328 1.00 2.00 H new ATOM 0 HD2 LYS A 142 2.639 0.066 15.053 1.00 2.33 H new ATOM 0 HD3 LYS A 142 2.186 1.472 15.996 1.00 2.33 H new ATOM 0 HE2 LYS A 142 0.918 2.419 14.223 1.00 4.00 H new ATOM 0 HE3 LYS A 142 1.705 1.434 13.006 1.00 4.00 H new ATOM 0 HZ1 LYS A 142 -0.704 0.945 13.916 1.00 4.77 H new ATOM 0 HZ2 LYS A 142 0.332 -0.282 13.363 1.00 4.77 H new ATOM 0 HZ3 LYS A 142 0.175 0.010 15.028 1.00 4.77 H new ATOM 2099 N THR A 143 6.997 4.576 14.386 1.00 1.33 N ATOM 2100 CA THR A 143 8.348 4.383 14.887 1.00 1.48 C ATOM 2101 C THR A 143 8.681 5.672 15.641 1.00 1.57 C ATOM 2102 O THR A 143 7.905 6.628 15.575 1.00 1.53 O ATOM 2103 CB THR A 143 9.304 4.087 13.706 1.00 1.51 C ATOM 2104 OG1 THR A 143 8.860 2.966 12.973 1.00 2.77 O ATOM 2105 CG2 THR A 143 10.755 3.785 14.098 1.00 2.20 C ATOM 0 H THR A 143 6.730 5.556 14.293 1.00 1.33 H new ATOM 0 HA THR A 143 8.450 3.529 15.557 1.00 1.48 H new ATOM 0 HB THR A 143 9.288 5.012 13.129 1.00 1.51 H new ATOM 0 HG1 THR A 143 8.729 3.219 12.035 1.00 2.77 H new ATOM 0 HG21 THR A 143 11.342 3.592 13.200 1.00 2.20 H new ATOM 0 HG22 THR A 143 11.174 4.640 14.628 1.00 2.20 H new ATOM 0 HG23 THR A 143 10.782 2.908 14.745 1.00 2.20 H new ATOM 2113 N VAL A 144 9.855 5.738 16.276 1.00 1.74 N ATOM 2114 CA VAL A 144 10.468 6.995 16.707 1.00 1.79 C ATOM 2115 C VAL A 144 10.367 8.049 15.593 1.00 1.62 C ATOM 2116 O VAL A 144 10.256 9.241 15.868 1.00 1.67 O ATOM 2117 CB VAL A 144 11.935 6.738 17.108 1.00 1.94 C ATOM 2118 CG1 VAL A 144 12.647 8.033 17.528 1.00 2.29 C ATOM 2119 CG2 VAL A 144 12.024 5.743 18.274 1.00 2.52 C ATOM 0 H VAL A 144 10.410 4.914 16.506 1.00 1.74 H new ATOM 0 HA VAL A 144 9.935 7.383 17.575 1.00 1.79 H new ATOM 0 HB VAL A 144 12.425 6.326 16.226 1.00 1.94 H new ATOM 0 HG11 VAL A 144 13.678 7.809 17.803 1.00 2.29 H new ATOM 0 HG12 VAL A 144 12.638 8.739 16.697 1.00 2.29 H new ATOM 0 HG13 VAL A 144 12.131 8.471 18.382 1.00 2.29 H new ATOM 0 HG21 VAL A 144 13.070 5.581 18.535 1.00 2.52 H new ATOM 0 HG22 VAL A 144 11.493 6.145 19.137 1.00 2.52 H new ATOM 0 HG23 VAL A 144 11.573 4.796 17.979 1.00 2.52 H new ATOM 2129 N ASN A 145 10.375 7.599 14.333 1.00 1.51 N ATOM 2130 CA ASN A 145 10.084 8.414 13.165 1.00 1.43 C ATOM 2131 C ASN A 145 9.070 7.652 12.315 1.00 1.50 C ATOM 2132 O ASN A 145 9.399 7.070 11.285 1.00 1.88 O ATOM 2133 CB ASN A 145 11.373 8.747 12.402 1.00 1.68 C ATOM 2134 CG ASN A 145 12.367 7.591 12.417 1.00 2.43 C ATOM 2135 OD1 ASN A 145 13.526 7.810 13.024 1.00 4.36 O flip ATOM 2136 ND2 ASN A 145 12.092 6.494 11.945 1.00 1.68 N flip ATOM 0 H ASN A 145 10.591 6.630 14.099 1.00 1.51 H new ATOM 0 HA ASN A 145 9.655 9.375 13.450 1.00 1.43 H new ATOM 0 HB2 ASN A 145 11.128 8.999 11.370 1.00 1.68 H new ATOM 0 HB3 ASN A 145 11.837 9.629 12.844 1.00 1.68 H new ATOM 0 HD21 ASN A 145 11.195 6.348 11.483 1.00 1.68 H new ATOM 0 HD22 ASN A 145 12.760 5.727 12.015 1.00 1.68 H new ATOM 2143 N GLY A 146 7.806 7.658 12.737 1.00 1.42 N ATOM 2144 CA GLY A 146 6.740 7.020 11.987 1.00 1.49 C ATOM 2145 C GLY A 146 5.460 7.820 12.088 1.00 1.34 C ATOM 2146 O GLY A 146 4.780 7.828 13.114 1.00 1.53 O ATOM 0 H GLY A 146 7.500 8.103 13.602 1.00 1.42 H new ATOM 0 HA2 GLY A 146 7.032 6.923 10.941 1.00 1.49 H new ATOM 0 HA3 GLY A 146 6.575 6.012 12.367 1.00 1.49 H new ATOM 2150 N ILE A 147 5.142 8.493 10.987 1.00 1.13 N ATOM 2151 CA ILE A 147 3.961 9.301 10.853 1.00 1.16 C ATOM 2152 C ILE A 147 2.768 8.385 10.578 1.00 1.16 C ATOM 2153 O ILE A 147 2.343 8.240 9.436 1.00 1.64 O ATOM 2154 CB ILE A 147 4.157 10.335 9.719 1.00 1.17 C ATOM 2155 CG1 ILE A 147 4.803 9.719 8.458 1.00 1.38 C ATOM 2156 CG2 ILE A 147 4.916 11.572 10.215 1.00 1.55 C ATOM 2157 CD1 ILE A 147 6.319 9.897 8.342 1.00 1.31 C ATOM 0 H ILE A 147 5.722 8.483 10.148 1.00 1.13 H new ATOM 0 HA ILE A 147 3.772 9.854 11.773 1.00 1.16 H new ATOM 0 HB ILE A 147 3.163 10.664 9.415 1.00 1.17 H new ATOM 0 HG12 ILE A 147 4.577 8.653 8.439 1.00 1.38 H new ATOM 0 HG13 ILE A 147 4.334 10.160 7.578 1.00 1.38 H new ATOM 0 HG21 ILE A 147 5.037 12.278 9.394 1.00 1.55 H new ATOM 0 HG22 ILE A 147 4.354 12.045 11.021 1.00 1.55 H new ATOM 0 HG23 ILE A 147 5.897 11.273 10.584 1.00 1.55 H new ATOM 0 HD11 ILE A 147 6.671 9.429 7.423 1.00 1.31 H new ATOM 0 HD12 ILE A 147 6.560 10.960 8.323 1.00 1.31 H new ATOM 0 HD13 ILE A 147 6.807 9.429 9.197 1.00 1.31 H new ATOM 2169 N ARG A 148 2.216 7.788 11.637 1.00 1.05 N ATOM 2170 CA ARG A 148 1.029 6.939 11.550 1.00 1.18 C ATOM 2171 C ARG A 148 -0.019 7.500 10.591 1.00 1.11 C ATOM 2172 O ARG A 148 -0.588 6.777 9.783 1.00 1.60 O ATOM 2173 CB ARG A 148 0.358 6.785 12.918 1.00 1.44 C ATOM 2174 CG ARG A 148 0.877 5.572 13.685 1.00 1.58 C ATOM 2175 CD ARG A 148 0.069 5.340 14.973 1.00 1.90 C ATOM 2176 NE ARG A 148 -1.350 5.040 14.679 1.00 2.08 N ATOM 2177 CZ ARG A 148 -2.361 5.916 14.567 1.00 1.99 C ATOM 2178 NH1 ARG A 148 -2.201 7.198 14.913 1.00 2.05 N ATOM 2179 NH2 ARG A 148 -3.516 5.489 14.058 1.00 2.74 N ATOM 0 H ARG A 148 2.583 7.882 12.584 1.00 1.05 H new ATOM 0 HA ARG A 148 1.384 5.977 11.181 1.00 1.18 H new ATOM 0 HB2 ARG A 148 0.530 7.685 13.508 1.00 1.44 H new ATOM 0 HB3 ARG A 148 -0.720 6.693 12.783 1.00 1.44 H new ATOM 0 HG2 ARG A 148 0.819 4.686 13.052 1.00 1.58 H new ATOM 0 HG3 ARG A 148 1.928 5.718 13.934 1.00 1.58 H new ATOM 0 HD2 ARG A 148 0.507 4.515 15.534 1.00 1.90 H new ATOM 0 HD3 ARG A 148 0.131 6.225 15.606 1.00 1.90 H new ATOM 0 HE ARG A 148 -1.587 4.057 14.547 1.00 2.08 H new ATOM 0 HH11 ARG A 148 -1.301 7.522 15.268 1.00 2.05 H new ATOM 0 HH12 ARG A 148 -2.979 7.852 14.822 1.00 2.05 H new ATOM 0 HH21 ARG A 148 -3.616 4.517 13.765 1.00 2.74 H new ATOM 0 HH22 ARG A 148 -4.300 6.134 13.962 1.00 2.74 H new ATOM 2193 N HIS A 149 -0.321 8.789 10.723 1.00 0.78 N ATOM 2194 CA HIS A 149 -1.276 9.438 9.849 1.00 0.93 C ATOM 2195 C HIS A 149 -0.598 9.726 8.508 1.00 0.88 C ATOM 2196 O HIS A 149 -0.265 10.873 8.211 1.00 1.00 O ATOM 2197 CB HIS A 149 -1.841 10.679 10.556 1.00 1.00 C ATOM 2198 CG HIS A 149 -2.466 10.380 11.903 1.00 1.07 C ATOM 2199 ND1 HIS A 149 -2.524 11.249 12.970 1.00 2.35 N ATOM 2200 CD2 HIS A 149 -3.002 9.188 12.318 1.00 1.21 C ATOM 2201 CE1 HIS A 149 -3.078 10.587 14.003 1.00 2.04 C ATOM 2202 NE2 HIS A 149 -3.373 9.319 13.662 1.00 1.03 N ATOM 0 H HIS A 149 0.086 9.400 11.431 1.00 0.78 H new ATOM 0 HA HIS A 149 -2.132 8.800 9.631 1.00 0.93 H new ATOM 0 HB2 HIS A 149 -1.040 11.406 10.690 1.00 1.00 H new ATOM 0 HB3 HIS A 149 -2.589 11.144 9.913 1.00 1.00 H new ATOM 0 HD1 HIS A 149 -2.205 12.218 12.976 1.00 2.35 H new ATOM 0 HD2 HIS A 149 -3.118 8.301 11.713 1.00 1.21 H new ATOM 0 HE1 HIS A 149 -3.261 11.017 14.977 1.00 2.04 H new ATOM 2210 N ILE A 150 -0.393 8.677 7.704 1.00 0.82 N ATOM 2211 CA ILE A 150 -0.020 8.816 6.301 1.00 0.83 C ATOM 2212 C ILE A 150 -1.293 8.898 5.454 1.00 1.04 C ATOM 2213 O ILE A 150 -2.180 8.051 5.562 1.00 1.36 O ATOM 2214 CB ILE A 150 0.947 7.694 5.858 1.00 0.86 C ATOM 2215 CG1 ILE A 150 2.386 8.237 5.925 1.00 1.36 C ATOM 2216 CG2 ILE A 150 0.655 7.159 4.446 1.00 1.41 C ATOM 2217 CD1 ILE A 150 3.463 7.183 5.667 1.00 1.39 C ATOM 0 H ILE A 150 -0.482 7.709 8.013 1.00 0.82 H new ATOM 0 HA ILE A 150 0.537 9.741 6.153 1.00 0.83 H new ATOM 0 HB ILE A 150 0.809 6.852 6.536 1.00 0.86 H new ATOM 0 HG12 ILE A 150 2.495 9.039 5.195 1.00 1.36 H new ATOM 0 HG13 ILE A 150 2.552 8.677 6.908 1.00 1.36 H new ATOM 0 HG21 ILE A 150 1.370 6.375 4.199 1.00 1.41 H new ATOM 0 HG22 ILE A 150 -0.356 6.752 4.413 1.00 1.41 H new ATOM 0 HG23 ILE A 150 0.743 7.971 3.724 1.00 1.41 H new ATOM 0 HD11 ILE A 150 4.448 7.646 5.732 1.00 1.39 H new ATOM 0 HD12 ILE A 150 3.384 6.392 6.413 1.00 1.39 H new ATOM 0 HD13 ILE A 150 3.326 6.759 4.672 1.00 1.39 H new ATOM 2229 N GLY A 151 -1.361 9.905 4.584 1.00 1.00 N ATOM 2230 CA GLY A 151 -2.342 9.995 3.526 1.00 1.20 C ATOM 2231 C GLY A 151 -1.889 9.107 2.372 1.00 0.85 C ATOM 2232 O GLY A 151 -1.018 9.486 1.588 1.00 0.95 O ATOM 0 H GLY A 151 -0.716 10.695 4.604 1.00 1.00 H new ATOM 0 HA2 GLY A 151 -3.320 9.677 3.888 1.00 1.20 H new ATOM 0 HA3 GLY A 151 -2.446 11.027 3.192 1.00 1.20 H new ATOM 2236 N LEU A 152 -2.475 7.911 2.275 1.00 0.71 N ATOM 2237 CA LEU A 152 -2.303 7.046 1.122 1.00 0.72 C ATOM 2238 C LEU A 152 -3.291 7.509 0.049 1.00 0.73 C ATOM 2239 O LEU A 152 -4.478 7.200 0.132 1.00 0.79 O ATOM 2240 CB LEU A 152 -2.522 5.588 1.542 1.00 1.13 C ATOM 2241 CG LEU A 152 -2.008 4.532 0.553 1.00 0.77 C ATOM 2242 CD1 LEU A 152 -2.634 4.649 -0.842 1.00 0.83 C ATOM 2243 CD2 LEU A 152 -0.480 4.542 0.446 1.00 0.79 C ATOM 0 H LEU A 152 -3.081 7.522 2.998 1.00 0.71 H new ATOM 0 HA LEU A 152 -1.294 7.105 0.714 1.00 0.72 H new ATOM 0 HB2 LEU A 152 -2.035 5.428 2.504 1.00 1.13 H new ATOM 0 HB3 LEU A 152 -3.589 5.428 1.695 1.00 1.13 H new ATOM 0 HG LEU A 152 -2.324 3.575 0.969 1.00 0.77 H new ATOM 0 HD11 LEU A 152 -2.226 3.873 -1.490 1.00 0.83 H new ATOM 0 HD12 LEU A 152 -3.715 4.529 -0.767 1.00 0.83 H new ATOM 0 HD13 LEU A 152 -2.406 5.629 -1.262 1.00 0.83 H new ATOM 0 HD21 LEU A 152 -0.160 3.780 -0.264 1.00 0.79 H new ATOM 0 HD22 LEU A 152 -0.146 5.521 0.103 1.00 0.79 H new ATOM 0 HD23 LEU A 152 -0.045 4.333 1.423 1.00 0.79 H new ATOM 2255 N ALA A 153 -2.809 8.264 -0.941 1.00 0.86 N ATOM 2256 CA ALA A 153 -3.618 8.803 -2.025 1.00 1.12 C ATOM 2257 C ALA A 153 -3.027 8.354 -3.360 1.00 1.00 C ATOM 2258 O ALA A 153 -1.902 8.738 -3.688 1.00 1.21 O ATOM 2259 CB ALA A 153 -3.649 10.331 -1.923 1.00 1.44 C ATOM 0 H ALA A 153 -1.824 8.520 -1.008 1.00 0.86 H new ATOM 0 HA ALA A 153 -4.641 8.433 -1.955 1.00 1.12 H new ATOM 0 HB1 ALA A 153 -4.254 10.738 -2.733 1.00 1.44 H new ATOM 0 HB2 ALA A 153 -4.081 10.623 -0.966 1.00 1.44 H new ATOM 0 HB3 ALA A 153 -2.634 10.721 -1.997 1.00 1.44 H new ATOM 2265 N ALA A 154 -3.775 7.544 -4.121 1.00 0.90 N ATOM 2266 CA ALA A 154 -3.379 7.063 -5.436 1.00 0.81 C ATOM 2267 C ALA A 154 -4.485 7.290 -6.450 1.00 0.85 C ATOM 2268 O ALA A 154 -5.642 6.996 -6.165 1.00 0.99 O ATOM 2269 CB ALA A 154 -3.120 5.565 -5.381 1.00 1.01 C ATOM 0 H ALA A 154 -4.690 7.202 -3.827 1.00 0.90 H new ATOM 0 HA ALA A 154 -2.482 7.608 -5.729 1.00 0.81 H new ATOM 0 HB1 ALA A 154 -2.824 5.210 -6.368 1.00 1.01 H new ATOM 0 HB2 ALA A 154 -2.322 5.360 -4.667 1.00 1.01 H new ATOM 0 HB3 ALA A 154 -4.028 5.050 -5.068 1.00 1.01 H new ATOM 2275 N LYS A 155 -4.108 7.770 -7.631 1.00 1.03 N ATOM 2276 CA LYS A 155 -4.927 7.793 -8.830 1.00 1.05 C ATOM 2277 C LYS A 155 -3.951 7.900 -9.998 1.00 1.37 C ATOM 2278 O LYS A 155 -3.009 8.689 -9.918 1.00 1.99 O ATOM 2279 CB LYS A 155 -5.970 8.922 -8.780 1.00 1.75 C ATOM 2280 CG LYS A 155 -5.341 10.296 -8.524 1.00 1.90 C ATOM 2281 CD LYS A 155 -6.366 11.427 -8.339 1.00 2.38 C ATOM 2282 CE LYS A 155 -7.260 11.217 -7.102 1.00 3.78 C ATOM 2283 NZ LYS A 155 -8.634 10.816 -7.464 1.00 4.09 N ATOM 0 H LYS A 155 -3.182 8.170 -7.781 1.00 1.03 H new ATOM 0 HA LYS A 155 -5.529 6.890 -8.936 1.00 1.05 H new ATOM 0 HB2 LYS A 155 -6.518 8.947 -9.722 1.00 1.75 H new ATOM 0 HB3 LYS A 155 -6.695 8.707 -7.995 1.00 1.75 H new ATOM 0 HG2 LYS A 155 -4.715 10.238 -7.634 1.00 1.90 H new ATOM 0 HG3 LYS A 155 -4.686 10.546 -9.359 1.00 1.90 H new ATOM 0 HD2 LYS A 155 -5.841 12.377 -8.246 1.00 2.38 H new ATOM 0 HD3 LYS A 155 -6.992 11.494 -9.229 1.00 2.38 H new ATOM 0 HE2 LYS A 155 -6.818 10.453 -6.463 1.00 3.78 H new ATOM 0 HE3 LYS A 155 -7.294 12.138 -6.521 1.00 3.78 H new ATOM 0 HZ1 LYS A 155 -8.951 10.053 -6.832 1.00 4.09 H new ATOM 0 HZ2 LYS A 155 -9.271 11.633 -7.367 1.00 4.09 H new ATOM 0 HZ3 LYS A 155 -8.650 10.480 -8.448 1.00 4.09 H new ATOM 2297 N GLN A 156 -4.114 7.071 -11.027 1.00 1.28 N ATOM 2298 CA GLN A 156 -3.272 7.135 -12.207 1.00 1.89 C ATOM 2299 C GLN A 156 -3.325 8.507 -12.873 1.00 2.89 C ATOM 2300 O GLN A 156 -2.236 8.954 -13.296 1.00 3.79 O ATOM 2301 CB GLN A 156 -3.695 6.027 -13.161 1.00 2.13 C ATOM 2302 CG GLN A 156 -3.291 4.717 -12.494 1.00 2.38 C ATOM 2303 CD GLN A 156 -4.011 3.531 -13.095 1.00 2.96 C ATOM 2304 OE1 GLN A 156 -3.642 3.029 -14.150 1.00 4.32 O ATOM 2305 NE2 GLN A 156 -5.044 3.085 -12.399 1.00 2.75 N ATOM 0 H GLN A 156 -4.829 6.344 -11.061 1.00 1.28 H new ATOM 0 HA GLN A 156 -2.232 6.987 -11.916 1.00 1.89 H new ATOM 0 HB2 GLN A 156 -4.770 6.057 -13.341 1.00 2.13 H new ATOM 0 HB3 GLN A 156 -3.206 6.138 -14.129 1.00 2.13 H new ATOM 0 HG2 GLN A 156 -2.215 4.576 -12.593 1.00 2.38 H new ATOM 0 HG3 GLN A 156 -3.508 4.771 -11.427 1.00 2.38 H new ATOM 0 HE21 GLN A 156 -5.307 3.543 -11.526 1.00 2.75 H new ATOM 0 HE22 GLN A 156 -5.578 2.284 -12.735 1.00 2.75 H new