USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 168:sc= 0 (180deg=-0.0205) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -120:sc= 0.122 (180deg=-0.212) USER MOD Single : A 65 LYS NZ :NH3+ 174:sc= -1.21 (180deg=-1.27) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.080 -15.273 -2.508 1.00 0.00 N ATOM 2 CA GLY A 1 -7.093 -15.226 -3.960 1.00 0.00 C ATOM 3 C GLY A 1 -7.007 -13.784 -4.463 1.00 0.00 C ATOM 4 O GLY A 1 -5.982 -13.372 -5.003 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.341 -16.228 -2.189 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.127 -15.041 -2.162 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.762 -14.584 -2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.256 -15.803 -4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.005 -15.692 -4.334 1.00 0.00 H new ATOM 8 N SER A 2 -8.096 -13.056 -4.267 1.00 0.00 N ATOM 9 CA SER A 2 -8.156 -11.668 -4.693 1.00 0.00 C ATOM 10 C SER A 2 -7.559 -10.763 -3.614 1.00 0.00 C ATOM 11 O SER A 2 -8.275 -10.288 -2.733 1.00 0.00 O ATOM 12 CB SER A 2 -9.594 -11.249 -5.003 1.00 0.00 C ATOM 13 OG SER A 2 -9.697 -9.855 -5.278 1.00 0.00 O ATOM 0 H SER A 2 -8.945 -13.401 -3.819 1.00 0.00 H new ATOM 0 HA SER A 2 -7.572 -11.565 -5.607 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.960 -11.815 -5.859 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.235 -11.500 -4.158 1.00 0.00 H new ATOM 0 HG SER A 2 -10.630 -9.628 -5.472 1.00 0.00 H new ATOM 19 N ARG A 3 -6.256 -10.551 -3.719 1.00 0.00 N ATOM 20 CA ARG A 3 -5.555 -9.711 -2.762 1.00 0.00 C ATOM 21 C ARG A 3 -4.847 -8.563 -3.484 1.00 0.00 C ATOM 22 O ARG A 3 -5.137 -7.393 -3.233 1.00 0.00 O ATOM 23 CB ARG A 3 -4.526 -10.519 -1.970 1.00 0.00 C ATOM 24 CG ARG A 3 -5.026 -10.802 -0.552 1.00 0.00 C ATOM 25 CD ARG A 3 -5.610 -12.212 -0.448 1.00 0.00 C ATOM 26 NE ARG A 3 -6.493 -12.309 0.735 1.00 0.00 N ATOM 27 CZ ARG A 3 -6.993 -13.458 1.208 1.00 0.00 C ATOM 28 NH1 ARG A 3 -6.699 -14.617 0.603 1.00 0.00 N ATOM 29 NH2 ARG A 3 -7.786 -13.451 2.289 1.00 0.00 N ATOM 0 H ARG A 3 -5.667 -10.946 -4.452 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.294 -9.309 -2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.324 -11.459 -2.483 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.585 -9.971 -1.925 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.205 -10.692 0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.785 -10.069 -0.277 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.172 -12.449 -1.351 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -4.805 -12.943 -0.372 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.736 -11.446 1.221 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.094 -14.625 -0.218 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.080 -15.492 0.964 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.009 -12.570 2.752 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.166 -14.327 2.648 1.00 0.00 H new ATOM 43 N VAL A 4 -3.931 -8.936 -4.365 1.00 0.00 N ATOM 44 CA VAL A 4 -3.179 -7.952 -5.125 1.00 0.00 C ATOM 45 C VAL A 4 -4.152 -7.031 -5.863 1.00 0.00 C ATOM 46 O VAL A 4 -4.028 -5.809 -5.795 1.00 0.00 O ATOM 47 CB VAL A 4 -2.194 -8.655 -6.062 1.00 0.00 C ATOM 48 CG1 VAL A 4 -1.438 -7.642 -6.923 1.00 0.00 C ATOM 49 CG2 VAL A 4 -1.224 -9.538 -5.274 1.00 0.00 C ATOM 0 H VAL A 4 -3.692 -9.906 -4.570 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.584 -7.328 -4.458 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.767 -9.299 -6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.745 -8.168 -7.579 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.148 -7.074 -7.525 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.882 -6.961 -6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.535 -10.026 -5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.661 -8.923 -4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.785 -10.294 -4.725 1.00 0.00 H new ATOM 59 N LYS A 5 -5.098 -7.652 -6.552 1.00 0.00 N ATOM 60 CA LYS A 5 -6.092 -6.904 -7.302 1.00 0.00 C ATOM 61 C LYS A 5 -6.794 -5.917 -6.368 1.00 0.00 C ATOM 62 O LYS A 5 -6.826 -4.717 -6.636 1.00 0.00 O ATOM 63 CB LYS A 5 -7.048 -7.856 -8.023 1.00 0.00 C ATOM 64 CG LYS A 5 -8.200 -7.087 -8.675 1.00 0.00 C ATOM 65 CD LYS A 5 -8.093 -7.128 -10.200 1.00 0.00 C ATOM 66 CE LYS A 5 -9.236 -7.944 -10.807 1.00 0.00 C ATOM 67 NZ LYS A 5 -8.850 -8.466 -12.138 1.00 0.00 N ATOM 0 H LYS A 5 -5.197 -8.666 -6.606 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.614 -6.316 -8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.504 -8.417 -8.783 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.446 -8.583 -7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.152 -7.516 -8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.190 -6.052 -8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.115 -6.113 -10.597 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.137 -7.563 -10.490 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.491 -8.772 -10.145 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.127 -7.322 -10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.637 -9.017 -12.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.629 -7.672 -12.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.013 -9.076 -12.042 1.00 0.00 H new ATOM 81 N ALA A 6 -7.339 -6.460 -5.288 1.00 0.00 N ATOM 82 CA ALA A 6 -8.038 -5.642 -4.312 1.00 0.00 C ATOM 83 C ALA A 6 -7.055 -4.651 -3.685 1.00 0.00 C ATOM 84 O ALA A 6 -7.468 -3.679 -3.053 1.00 0.00 O ATOM 85 CB ALA A 6 -8.700 -6.546 -3.270 1.00 0.00 C ATOM 0 H ALA A 6 -7.310 -7.456 -5.068 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.828 -5.063 -4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.225 -5.933 -2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.410 -7.210 -3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.937 -7.140 -2.767 1.00 0.00 H new ATOM 91 N LEU A 7 -5.776 -4.933 -3.880 1.00 0.00 N ATOM 92 CA LEU A 7 -4.731 -4.078 -3.342 1.00 0.00 C ATOM 93 C LEU A 7 -4.442 -2.947 -4.330 1.00 0.00 C ATOM 94 O LEU A 7 -4.687 -1.779 -4.032 1.00 0.00 O ATOM 95 CB LEU A 7 -3.497 -4.905 -2.977 1.00 0.00 C ATOM 96 CG LEU A 7 -3.257 -5.129 -1.482 1.00 0.00 C ATOM 97 CD1 LEU A 7 -3.452 -3.831 -0.695 1.00 0.00 C ATOM 98 CD2 LEU A 7 -4.139 -6.260 -0.948 1.00 0.00 C ATOM 0 H LEU A 7 -5.439 -5.741 -4.403 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.061 -3.613 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.580 -5.878 -3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.618 -4.414 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.220 -5.437 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.276 -4.018 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.749 -3.079 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.471 -3.470 -0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.949 -6.398 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.188 -6.005 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.909 -7.183 -1.481 1.00 0.00 H new ATOM 110 N GLU A 8 -3.927 -3.334 -5.488 1.00 0.00 N ATOM 111 CA GLU A 8 -3.603 -2.367 -6.523 1.00 0.00 C ATOM 112 C GLU A 8 -4.638 -1.240 -6.541 1.00 0.00 C ATOM 113 O GLU A 8 -4.303 -0.088 -6.813 1.00 0.00 O ATOM 114 CB GLU A 8 -3.504 -3.042 -7.892 1.00 0.00 C ATOM 115 CG GLU A 8 -2.653 -2.210 -8.854 1.00 0.00 C ATOM 116 CD GLU A 8 -3.523 -1.544 -9.921 1.00 0.00 C ATOM 117 OE1 GLU A 8 -4.539 -0.932 -9.525 1.00 0.00 O ATOM 118 OE2 GLU A 8 -3.153 -1.662 -11.109 1.00 0.00 O ATOM 0 H GLU A 8 -3.726 -4.304 -5.732 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.629 -1.935 -6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.068 -4.035 -7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.502 -3.177 -8.308 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.108 -1.448 -8.297 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.910 -2.848 -9.332 1.00 0.00 H new ATOM 125 N GLU A 9 -5.875 -1.612 -6.246 1.00 0.00 N ATOM 126 CA GLU A 9 -6.962 -0.648 -6.225 1.00 0.00 C ATOM 127 C GLU A 9 -6.605 0.533 -5.320 1.00 0.00 C ATOM 128 O GLU A 9 -6.701 1.688 -5.734 1.00 0.00 O ATOM 129 CB GLU A 9 -8.269 -1.306 -5.779 1.00 0.00 C ATOM 130 CG GLU A 9 -9.293 -1.317 -6.917 1.00 0.00 C ATOM 131 CD GLU A 9 -10.184 -0.074 -6.865 1.00 0.00 C ATOM 132 OE1 GLU A 9 -9.646 1.022 -7.130 1.00 0.00 O ATOM 133 OE2 GLU A 9 -11.384 -0.249 -6.562 1.00 0.00 O ATOM 0 H GLU A 9 -6.149 -2.568 -6.019 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.110 -0.273 -7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.073 -2.327 -5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.677 -0.769 -4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.776 -1.358 -7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.909 -2.214 -6.848 1.00 0.00 H new ATOM 140 N LYS A 10 -6.203 0.203 -4.101 1.00 0.00 N ATOM 141 CA LYS A 10 -5.831 1.222 -3.135 1.00 0.00 C ATOM 142 C LYS A 10 -4.423 1.731 -3.451 1.00 0.00 C ATOM 143 O LYS A 10 -4.215 2.932 -3.612 1.00 0.00 O ATOM 144 CB LYS A 10 -5.986 0.689 -1.708 1.00 0.00 C ATOM 145 CG LYS A 10 -6.486 1.785 -0.765 1.00 0.00 C ATOM 146 CD LYS A 10 -7.996 1.987 -0.912 1.00 0.00 C ATOM 147 CE LYS A 10 -8.724 1.635 0.386 1.00 0.00 C ATOM 148 NZ LYS A 10 -10.082 1.124 0.096 1.00 0.00 N ATOM 0 H LYS A 10 -6.127 -0.756 -3.761 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.503 2.078 -3.207 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.685 -0.147 -1.702 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.029 0.307 -1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.249 1.519 0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.968 2.719 -0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.204 3.023 -1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.372 1.366 -1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.156 0.885 0.936 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.789 2.516 1.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.563 0.890 0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.626 1.852 -0.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.013 0.271 -0.495 1.00 0.00 H new ATOM 162 N VAL A 11 -3.492 0.791 -3.531 1.00 0.00 N ATOM 163 CA VAL A 11 -2.110 1.129 -3.825 1.00 0.00 C ATOM 164 C VAL A 11 -2.068 2.106 -5.002 1.00 0.00 C ATOM 165 O VAL A 11 -1.436 3.158 -4.918 1.00 0.00 O ATOM 166 CB VAL A 11 -1.302 -0.146 -4.078 1.00 0.00 C ATOM 167 CG1 VAL A 11 0.168 0.182 -4.344 1.00 0.00 C ATOM 168 CG2 VAL A 11 -1.444 -1.124 -2.910 1.00 0.00 C ATOM 0 H VAL A 11 -3.668 -0.205 -3.397 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.649 1.627 -2.972 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.704 -0.628 -4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.720 -0.741 -4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.244 0.824 -5.221 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.588 0.697 -3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.861 -2.022 -3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.080 -0.655 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.493 -1.393 -2.786 1.00 0.00 H new ATOM 178 N LYS A 12 -2.752 1.725 -6.071 1.00 0.00 N ATOM 179 CA LYS A 12 -2.800 2.554 -7.263 1.00 0.00 C ATOM 180 C LYS A 12 -3.152 3.989 -6.866 1.00 0.00 C ATOM 181 O LYS A 12 -2.435 4.927 -7.212 1.00 0.00 O ATOM 182 CB LYS A 12 -3.753 1.950 -8.298 1.00 0.00 C ATOM 183 CG LYS A 12 -3.888 2.865 -9.517 1.00 0.00 C ATOM 184 CD LYS A 12 -3.197 2.255 -10.739 1.00 0.00 C ATOM 185 CE LYS A 12 -2.736 3.344 -11.708 1.00 0.00 C ATOM 186 NZ LYS A 12 -1.766 2.793 -12.683 1.00 0.00 N ATOM 0 H LYS A 12 -3.277 0.853 -6.136 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.823 2.586 -7.745 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.384 0.973 -8.611 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.733 1.792 -7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.943 3.031 -9.736 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.451 3.839 -9.296 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.340 1.662 -10.419 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.882 1.577 -11.248 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.596 3.758 -12.235 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.278 4.163 -11.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.463 3.545 -13.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.938 2.419 -12.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.215 2.027 -13.224 1.00 0.00 H new ATOM 200 N ALA A 13 -4.258 4.116 -6.146 1.00 0.00 N ATOM 201 CA ALA A 13 -4.714 5.421 -5.698 1.00 0.00 C ATOM 202 C ALA A 13 -3.644 6.051 -4.803 1.00 0.00 C ATOM 203 O ALA A 13 -3.322 7.229 -4.951 1.00 0.00 O ATOM 204 CB ALA A 13 -6.059 5.275 -4.984 1.00 0.00 C ATOM 0 H ALA A 13 -4.851 3.336 -5.862 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.867 6.086 -6.548 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.401 6.254 -4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.791 4.851 -5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.944 4.616 -4.124 1.00 0.00 H new ATOM 210 N LEU A 14 -3.125 5.238 -3.895 1.00 0.00 N ATOM 211 CA LEU A 14 -2.099 5.701 -2.976 1.00 0.00 C ATOM 212 C LEU A 14 -1.008 6.432 -3.762 1.00 0.00 C ATOM 213 O LEU A 14 -0.455 7.423 -3.288 1.00 0.00 O ATOM 214 CB LEU A 14 -1.574 4.540 -2.130 1.00 0.00 C ATOM 215 CG LEU A 14 -2.538 3.986 -1.079 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.774 3.363 0.092 1.00 0.00 C ATOM 217 CD2 LEU A 14 -3.519 5.064 -0.613 1.00 0.00 C ATOM 0 H LEU A 14 -3.396 4.262 -3.776 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.517 6.417 -2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.292 3.727 -2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.665 4.867 -1.624 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.126 3.192 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.483 2.977 0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.150 2.548 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.145 4.120 0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.193 4.644 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.966 5.895 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.098 5.421 -1.464 1.00 0.00 H new ATOM 229 N GLU A 15 -0.732 5.915 -4.950 1.00 0.00 N ATOM 230 CA GLU A 15 0.281 6.505 -5.806 1.00 0.00 C ATOM 231 C GLU A 15 -0.147 7.906 -6.247 1.00 0.00 C ATOM 232 O GLU A 15 0.641 8.849 -6.184 1.00 0.00 O ATOM 233 CB GLU A 15 0.566 5.612 -7.016 1.00 0.00 C ATOM 234 CG GLU A 15 1.724 6.169 -7.848 1.00 0.00 C ATOM 235 CD GLU A 15 1.229 6.680 -9.202 1.00 0.00 C ATOM 236 OE1 GLU A 15 0.291 6.051 -9.738 1.00 0.00 O ATOM 237 OE2 GLU A 15 1.800 7.689 -9.670 1.00 0.00 O ATOM 0 H GLU A 15 -1.193 5.093 -5.340 1.00 0.00 H new ATOM 0 HA GLU A 15 1.205 6.592 -5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.807 4.604 -6.680 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.328 5.536 -7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.210 6.979 -7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.474 5.393 -8.000 1.00 0.00 H new ATOM 244 N GLU A 16 -1.394 7.999 -6.685 1.00 0.00 N ATOM 245 CA GLU A 16 -1.936 9.269 -7.136 1.00 0.00 C ATOM 246 C GLU A 16 -2.177 10.197 -5.944 1.00 0.00 C ATOM 247 O GLU A 16 -2.107 11.418 -6.078 1.00 0.00 O ATOM 248 CB GLU A 16 -3.221 9.062 -7.939 1.00 0.00 C ATOM 249 CG GLU A 16 -3.282 10.018 -9.133 1.00 0.00 C ATOM 250 CD GLU A 16 -4.722 10.198 -9.618 1.00 0.00 C ATOM 251 OE1 GLU A 16 -5.447 10.980 -8.967 1.00 0.00 O ATOM 252 OE2 GLU A 16 -5.065 9.548 -10.630 1.00 0.00 O ATOM 0 H GLU A 16 -2.045 7.215 -6.737 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.207 9.740 -7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.272 8.032 -8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.086 9.223 -7.295 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.866 10.985 -8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.667 9.631 -9.945 1.00 0.00 H new ATOM 259 N LYS A 17 -2.459 9.583 -4.803 1.00 0.00 N ATOM 260 CA LYS A 17 -2.712 10.338 -3.589 1.00 0.00 C ATOM 261 C LYS A 17 -1.378 10.772 -2.977 1.00 0.00 C ATOM 262 O LYS A 17 -1.098 11.965 -2.874 1.00 0.00 O ATOM 263 CB LYS A 17 -3.595 9.534 -2.632 1.00 0.00 C ATOM 264 CG LYS A 17 -4.480 10.461 -1.794 1.00 0.00 C ATOM 265 CD LYS A 17 -5.946 10.027 -1.862 1.00 0.00 C ATOM 266 CE LYS A 17 -6.760 10.675 -0.740 1.00 0.00 C ATOM 267 NZ LYS A 17 -8.168 10.852 -1.159 1.00 0.00 N ATOM 0 H LYS A 17 -2.518 8.570 -4.695 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.271 11.246 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.219 8.844 -3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.969 8.930 -1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.142 10.453 -0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.383 11.485 -2.153 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.367 10.304 -2.829 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.012 8.942 -1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.716 10.054 0.155 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.327 11.641 -0.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.707 11.293 -0.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.206 11.462 -2.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.582 9.925 -1.385 1.00 0.00 H new ATOM 281 N VAL A 18 -0.592 9.780 -2.586 1.00 0.00 N ATOM 282 CA VAL A 18 0.705 10.044 -1.987 1.00 0.00 C ATOM 283 C VAL A 18 1.438 11.101 -2.814 1.00 0.00 C ATOM 284 O VAL A 18 2.172 11.923 -2.268 1.00 0.00 O ATOM 285 CB VAL A 18 1.493 8.740 -1.850 1.00 0.00 C ATOM 286 CG1 VAL A 18 2.943 9.015 -1.445 1.00 0.00 C ATOM 287 CG2 VAL A 18 0.818 7.793 -0.855 1.00 0.00 C ATOM 0 H VAL A 18 -0.829 8.792 -2.672 1.00 0.00 H new ATOM 0 HA VAL A 18 0.586 10.444 -0.980 1.00 0.00 H new ATOM 0 HB VAL A 18 1.503 8.252 -2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.481 8.071 -1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.422 9.634 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.961 9.536 -0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.398 6.874 -0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.762 8.272 0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.188 7.558 -1.202 1.00 0.00 H new ATOM 297 N LYS A 19 1.214 11.046 -4.118 1.00 0.00 N ATOM 298 CA LYS A 19 1.844 11.989 -5.027 1.00 0.00 C ATOM 299 C LYS A 19 1.107 13.328 -4.958 1.00 0.00 C ATOM 300 O LYS A 19 1.734 14.386 -4.960 1.00 0.00 O ATOM 301 CB LYS A 19 1.924 11.402 -6.438 1.00 0.00 C ATOM 302 CG LYS A 19 2.497 12.422 -7.425 1.00 0.00 C ATOM 303 CD LYS A 19 2.174 12.031 -8.867 1.00 0.00 C ATOM 304 CE LYS A 19 2.073 13.268 -9.762 1.00 0.00 C ATOM 305 NZ LYS A 19 0.988 13.104 -10.754 1.00 0.00 N ATOM 0 H LYS A 19 0.605 10.363 -4.568 1.00 0.00 H new ATOM 0 HA LYS A 19 2.875 12.177 -4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.549 10.509 -6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.931 11.093 -6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.087 13.409 -7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.577 12.491 -7.296 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.947 11.364 -9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.234 11.479 -8.896 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.885 14.151 -9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.021 13.431 -10.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.934 13.953 -11.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.183 12.273 -11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.083 12.971 -10.260 1.00 0.00 H new ATOM 319 N ALA A 20 -0.213 13.238 -4.899 1.00 0.00 N ATOM 320 CA ALA A 20 -1.043 14.429 -4.829 1.00 0.00 C ATOM 321 C ALA A 20 -0.608 15.278 -3.633 1.00 0.00 C ATOM 322 O ALA A 20 -0.655 16.505 -3.690 1.00 0.00 O ATOM 323 CB ALA A 20 -2.515 14.021 -4.752 1.00 0.00 C ATOM 0 H ALA A 20 -0.729 12.358 -4.898 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.921 15.037 -5.726 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.138 14.914 -4.699 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.780 13.445 -5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.678 13.412 -3.863 1.00 0.00 H new ATOM 329 N LEU A 21 -0.196 14.590 -2.579 1.00 0.00 N ATOM 330 CA LEU A 21 0.246 15.266 -1.371 1.00 0.00 C ATOM 331 C LEU A 21 1.359 16.256 -1.724 1.00 0.00 C ATOM 332 O LEU A 21 2.289 15.916 -2.453 1.00 0.00 O ATOM 333 CB LEU A 21 0.647 14.247 -0.302 1.00 0.00 C ATOM 334 CG LEU A 21 -0.175 12.956 -0.265 1.00 0.00 C ATOM 335 CD1 LEU A 21 0.118 12.157 1.006 1.00 0.00 C ATOM 336 CD2 LEU A 21 -1.667 13.253 -0.425 1.00 0.00 C ATOM 0 H LEU A 21 -0.159 13.572 -2.536 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.571 15.844 -0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.694 13.984 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.577 14.727 0.674 1.00 0.00 H new ATOM 0 HG LEU A 21 0.122 12.336 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.478 11.245 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.176 11.899 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.135 12.758 1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.229 12.320 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.998 13.902 0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.839 13.750 -1.380 1.00 0.00 H new ATOM 348 N GLY A 22 1.224 17.461 -1.189 1.00 0.00 N ATOM 349 CA GLY A 22 2.207 18.503 -1.439 1.00 0.00 C ATOM 350 C GLY A 22 3.630 17.945 -1.364 1.00 0.00 C ATOM 351 O GLY A 22 4.522 18.416 -2.067 1.00 0.00 O ATOM 0 H GLY A 22 0.451 17.739 -0.585 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.036 18.941 -2.422 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.088 19.303 -0.709 1.00 0.00 H new ATOM 355 N GLY A 23 3.796 16.949 -0.506 1.00 0.00 N ATOM 356 CA GLY A 23 5.094 16.322 -0.330 1.00 0.00 C ATOM 357 C GLY A 23 6.154 17.355 0.059 1.00 0.00 C ATOM 358 O GLY A 23 5.860 18.547 0.151 1.00 0.00 O ATOM 0 H GLY A 23 3.053 16.561 0.075 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.029 15.554 0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.389 15.823 -1.253 1.00 0.00 H new ATOM 362 N GLY A 24 7.363 16.861 0.280 1.00 0.00 N ATOM 363 CA GLY A 24 8.467 17.726 0.657 1.00 0.00 C ATOM 364 C GLY A 24 8.725 17.660 2.165 1.00 0.00 C ATOM 365 O GLY A 24 9.048 18.671 2.788 1.00 0.00 O ATOM 0 H GLY A 24 7.602 15.872 0.205 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.366 17.430 0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.245 18.753 0.367 1.00 0.00 H new ATOM 369 N GLY A 25 8.570 16.462 2.707 1.00 0.00 N ATOM 370 CA GLY A 25 8.781 16.251 4.129 1.00 0.00 C ATOM 371 C GLY A 25 7.533 15.662 4.787 1.00 0.00 C ATOM 372 O GLY A 25 6.926 16.291 5.653 1.00 0.00 O ATOM 0 H GLY A 25 8.301 15.627 2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.627 15.580 4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.036 17.197 4.607 1.00 0.00 H new ATOM 376 N ARG A 26 7.185 14.459 4.352 1.00 0.00 N ATOM 377 CA ARG A 26 6.019 13.777 4.888 1.00 0.00 C ATOM 378 C ARG A 26 5.819 12.434 4.183 1.00 0.00 C ATOM 379 O ARG A 26 6.186 11.388 4.715 1.00 0.00 O ATOM 380 CB ARG A 26 4.758 14.626 4.721 1.00 0.00 C ATOM 381 CG ARG A 26 4.313 15.219 6.059 1.00 0.00 C ATOM 382 CD ARG A 26 4.027 16.716 5.929 1.00 0.00 C ATOM 383 NE ARG A 26 2.984 17.118 6.899 1.00 0.00 N ATOM 384 CZ ARG A 26 3.213 17.330 8.203 1.00 0.00 C ATOM 385 NH1 ARG A 26 4.448 17.179 8.699 1.00 0.00 N ATOM 386 NH2 ARG A 26 2.206 17.692 9.009 1.00 0.00 N ATOM 0 H ARG A 26 7.690 13.939 3.634 1.00 0.00 H new ATOM 0 HA ARG A 26 6.192 13.611 5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.948 15.429 4.009 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.957 14.015 4.306 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.419 14.704 6.409 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.088 15.057 6.808 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.939 17.286 6.106 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.700 16.945 4.915 1.00 0.00 H new ATOM 0 HE ARG A 26 2.032 17.241 6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.214 16.903 8.085 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.622 17.340 9.691 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.266 17.806 8.631 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.380 17.853 10.001 1.00 0.00 H new ATOM 400 N ILE A 27 5.238 12.507 2.994 1.00 0.00 N ATOM 401 CA ILE A 27 4.984 11.311 2.210 1.00 0.00 C ATOM 402 C ILE A 27 6.245 10.445 2.186 1.00 0.00 C ATOM 403 O ILE A 27 6.161 9.219 2.158 1.00 0.00 O ATOM 404 CB ILE A 27 4.465 11.682 0.820 1.00 0.00 C ATOM 405 CG1 ILE A 27 5.379 12.710 0.149 1.00 0.00 C ATOM 406 CG2 ILE A 27 3.014 12.161 0.885 1.00 0.00 C ATOM 407 CD1 ILE A 27 4.657 13.422 -0.996 1.00 0.00 C ATOM 0 H ILE A 27 4.936 13.377 2.555 1.00 0.00 H new ATOM 0 HA ILE A 27 4.196 10.714 2.669 1.00 0.00 H new ATOM 0 HB ILE A 27 4.480 10.785 0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.711 13.442 0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.272 12.214 -0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.671 12.418 -0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.387 11.367 1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.949 13.039 1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.329 14.147 -1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.348 12.690 -1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.778 13.937 -0.608 1.00 0.00 H new ATOM 419 N GLU A 28 7.386 11.119 2.196 1.00 0.00 N ATOM 420 CA GLU A 28 8.664 10.427 2.175 1.00 0.00 C ATOM 421 C GLU A 28 8.574 9.121 2.968 1.00 0.00 C ATOM 422 O GLU A 28 8.761 8.040 2.413 1.00 0.00 O ATOM 423 CB GLU A 28 9.781 11.321 2.717 1.00 0.00 C ATOM 424 CG GLU A 28 11.151 10.670 2.515 1.00 0.00 C ATOM 425 CD GLU A 28 12.146 11.147 3.576 1.00 0.00 C ATOM 426 OE1 GLU A 28 11.709 11.294 4.738 1.00 0.00 O ATOM 427 OE2 GLU A 28 13.320 11.353 3.201 1.00 0.00 O ATOM 0 H GLU A 28 7.452 12.137 2.218 1.00 0.00 H new ATOM 0 HA GLU A 28 8.907 10.185 1.140 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.756 12.287 2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.617 11.511 3.778 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.053 9.586 2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.529 10.911 1.522 1.00 0.00 H new ATOM 434 N GLU A 29 8.287 9.265 4.254 1.00 0.00 N ATOM 435 CA GLU A 29 8.169 8.111 5.127 1.00 0.00 C ATOM 436 C GLU A 29 7.236 7.069 4.508 1.00 0.00 C ATOM 437 O GLU A 29 7.690 6.028 4.033 1.00 0.00 O ATOM 438 CB GLU A 29 7.683 8.525 6.518 1.00 0.00 C ATOM 439 CG GLU A 29 8.163 7.536 7.583 1.00 0.00 C ATOM 440 CD GLU A 29 7.001 7.071 8.464 1.00 0.00 C ATOM 441 OE1 GLU A 29 6.643 7.841 9.382 1.00 0.00 O ATOM 442 OE2 GLU A 29 6.498 5.958 8.199 1.00 0.00 O ATOM 0 H GLU A 29 8.133 10.164 4.711 1.00 0.00 H new ATOM 0 HA GLU A 29 9.156 7.663 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.050 9.524 6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.594 8.575 6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.626 6.675 7.102 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.928 8.005 8.202 1.00 0.00 H new ATOM 449 N LEU A 30 5.949 7.384 4.533 1.00 0.00 N ATOM 450 CA LEU A 30 4.949 6.488 3.979 1.00 0.00 C ATOM 451 C LEU A 30 5.423 5.979 2.618 1.00 0.00 C ATOM 452 O LEU A 30 5.257 4.803 2.296 1.00 0.00 O ATOM 453 CB LEU A 30 3.581 7.172 3.939 1.00 0.00 C ATOM 454 CG LEU A 30 3.347 8.134 2.774 1.00 0.00 C ATOM 455 CD1 LEU A 30 3.316 7.385 1.440 1.00 0.00 C ATOM 456 CD2 LEU A 30 2.081 8.965 2.993 1.00 0.00 C ATOM 0 H LEU A 30 5.576 8.247 4.928 1.00 0.00 H new ATOM 0 HA LEU A 30 4.824 5.614 4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.812 6.400 3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.444 7.721 4.871 1.00 0.00 H new ATOM 0 HG LEU A 30 4.186 8.829 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.148 8.093 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.268 6.876 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.510 6.651 1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.939 9.641 2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.220 8.302 3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.181 9.546 3.910 1.00 0.00 H new ATOM 468 N LYS A 31 6.005 6.890 1.852 1.00 0.00 N ATOM 469 CA LYS A 31 6.504 6.549 0.530 1.00 0.00 C ATOM 470 C LYS A 31 7.531 5.421 0.654 1.00 0.00 C ATOM 471 O LYS A 31 7.583 4.529 -0.192 1.00 0.00 O ATOM 472 CB LYS A 31 7.042 7.794 -0.178 1.00 0.00 C ATOM 473 CG LYS A 31 5.952 8.462 -1.017 1.00 0.00 C ATOM 474 CD LYS A 31 6.540 9.554 -1.913 1.00 0.00 C ATOM 475 CE LYS A 31 6.030 9.420 -3.349 1.00 0.00 C ATOM 476 NZ LYS A 31 6.929 8.548 -4.138 1.00 0.00 N ATOM 0 H LYS A 31 6.142 7.864 2.121 1.00 0.00 H new ATOM 0 HA LYS A 31 5.695 6.178 -0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.422 8.501 0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.881 7.519 -0.818 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.451 7.714 -1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.196 8.893 -0.361 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.274 10.535 -1.519 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.628 9.491 -1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.022 9.006 -3.346 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.969 10.404 -3.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.569 8.467 -5.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.884 8.959 -4.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.966 7.604 -3.703 1.00 0.00 H new ATOM 490 N LYS A 32 8.321 5.496 1.715 1.00 0.00 N ATOM 491 CA LYS A 32 9.343 4.492 1.960 1.00 0.00 C ATOM 492 C LYS A 32 8.677 3.126 2.133 1.00 0.00 C ATOM 493 O LYS A 32 9.083 2.149 1.505 1.00 0.00 O ATOM 494 CB LYS A 32 10.223 4.902 3.142 1.00 0.00 C ATOM 495 CG LYS A 32 10.685 6.354 3.005 1.00 0.00 C ATOM 496 CD LYS A 32 12.188 6.479 3.265 1.00 0.00 C ATOM 497 CE LYS A 32 12.879 7.235 2.128 1.00 0.00 C ATOM 498 NZ LYS A 32 14.115 6.532 1.715 1.00 0.00 N ATOM 0 H LYS A 32 8.274 6.236 2.415 1.00 0.00 H new ATOM 0 HA LYS A 32 10.014 4.414 1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.668 4.780 4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.091 4.245 3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.454 6.720 2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.137 6.981 3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.356 7.000 4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.627 5.487 3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.202 7.323 1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.120 8.248 2.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.572 7.058 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.766 6.470 2.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.877 5.574 1.388 1.00 0.00 H new ATOM 512 N LYS A 33 7.666 3.099 2.990 1.00 0.00 N ATOM 513 CA LYS A 33 6.940 1.869 3.254 1.00 0.00 C ATOM 514 C LYS A 33 6.117 1.493 2.020 1.00 0.00 C ATOM 515 O LYS A 33 6.067 0.326 1.634 1.00 0.00 O ATOM 516 CB LYS A 33 6.110 2.000 4.531 1.00 0.00 C ATOM 517 CG LYS A 33 7.008 2.240 5.746 1.00 0.00 C ATOM 518 CD LYS A 33 6.729 1.214 6.847 1.00 0.00 C ATOM 519 CE LYS A 33 8.005 0.876 7.618 1.00 0.00 C ATOM 520 NZ LYS A 33 8.070 1.649 8.879 1.00 0.00 N ATOM 0 H LYS A 33 7.333 3.910 3.511 1.00 0.00 H new ATOM 0 HA LYS A 33 7.634 1.049 3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.404 2.824 4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.522 1.094 4.682 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.054 2.181 5.446 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.843 3.246 6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.979 1.607 7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.315 0.307 6.407 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.032 -0.191 7.837 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.878 1.098 7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.943 1.407 9.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.066 2.666 8.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.247 1.417 9.471 1.00 0.00 H new ATOM 534 N TRP A 34 5.490 2.504 1.437 1.00 0.00 N ATOM 535 CA TRP A 34 4.670 2.294 0.255 1.00 0.00 C ATOM 536 C TRP A 34 5.515 1.549 -0.780 1.00 0.00 C ATOM 537 O TRP A 34 4.980 0.824 -1.618 1.00 0.00 O ATOM 538 CB TRP A 34 4.115 3.620 -0.269 1.00 0.00 C ATOM 539 CG TRP A 34 4.154 3.752 -1.793 1.00 0.00 C ATOM 540 CD1 TRP A 34 5.170 4.172 -2.558 1.00 0.00 C ATOM 541 CD2 TRP A 34 3.084 3.443 -2.710 1.00 0.00 C ATOM 542 NE1 TRP A 34 4.834 4.156 -3.897 1.00 0.00 N ATOM 543 CE2 TRP A 34 3.525 3.699 -3.992 1.00 0.00 C ATOM 544 CE3 TRP A 34 1.785 2.962 -2.465 1.00 0.00 C ATOM 545 CZ2 TRP A 34 2.732 3.505 -5.130 1.00 0.00 C ATOM 546 CZ3 TRP A 34 1.005 2.774 -3.612 1.00 0.00 C ATOM 547 CH2 TRP A 34 1.434 3.027 -4.910 1.00 0.00 C ATOM 0 H TRP A 34 5.533 3.470 1.760 1.00 0.00 H new ATOM 0 HA TRP A 34 3.797 1.687 0.494 1.00 0.00 H new ATOM 0 HB2 TRP A 34 3.084 3.730 0.069 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.683 4.439 0.171 1.00 0.00 H new ATOM 0 HD1 TRP A 34 6.131 4.484 -2.176 1.00 0.00 H new ATOM 0 HE1 TRP A 34 5.436 4.429 -4.674 1.00 0.00 H new ATOM 0 HE3 TRP A 34 1.418 2.754 -1.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.101 3.713 -6.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.002 2.406 -3.479 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.770 2.856 -5.744 1.00 0.00 H new ATOM 558 N GLU A 35 6.821 1.752 -0.689 1.00 0.00 N ATOM 559 CA GLU A 35 7.744 1.108 -1.607 1.00 0.00 C ATOM 560 C GLU A 35 7.987 -0.343 -1.185 1.00 0.00 C ATOM 561 O GLU A 35 8.042 -1.236 -2.028 1.00 0.00 O ATOM 562 CB GLU A 35 9.061 1.882 -1.692 1.00 0.00 C ATOM 563 CG GLU A 35 9.296 2.411 -3.109 1.00 0.00 C ATOM 564 CD GLU A 35 10.012 3.763 -3.078 1.00 0.00 C ATOM 565 OE1 GLU A 35 10.981 3.873 -2.297 1.00 0.00 O ATOM 566 OE2 GLU A 35 9.573 4.655 -3.836 1.00 0.00 O ATOM 0 H GLU A 35 7.262 2.354 0.007 1.00 0.00 H new ATOM 0 HA GLU A 35 7.296 1.107 -2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.044 2.714 -0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.887 1.234 -1.400 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.890 1.694 -3.675 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.342 2.513 -3.626 1.00 0.00 H new ATOM 573 N GLU A 36 8.126 -0.531 0.118 1.00 0.00 N ATOM 574 CA GLU A 36 8.362 -1.858 0.663 1.00 0.00 C ATOM 575 C GLU A 36 7.048 -2.635 0.752 1.00 0.00 C ATOM 576 O GLU A 36 7.054 -3.855 0.915 1.00 0.00 O ATOM 577 CB GLU A 36 9.046 -1.776 2.029 1.00 0.00 C ATOM 578 CG GLU A 36 9.872 -0.495 2.154 1.00 0.00 C ATOM 579 CD GLU A 36 11.156 -0.745 2.947 1.00 0.00 C ATOM 580 OE1 GLU A 36 11.082 -0.648 4.192 1.00 0.00 O ATOM 581 OE2 GLU A 36 12.182 -1.029 2.293 1.00 0.00 O ATOM 0 H GLU A 36 8.080 0.213 0.814 1.00 0.00 H new ATOM 0 HA GLU A 36 9.033 -2.393 -0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.295 -1.807 2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.691 -2.644 2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.121 -0.120 1.161 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.280 0.277 2.647 1.00 0.00 H new ATOM 588 N LEU A 37 5.952 -1.898 0.641 1.00 0.00 N ATOM 589 CA LEU A 37 4.633 -2.505 0.709 1.00 0.00 C ATOM 590 C LEU A 37 4.254 -3.044 -0.672 1.00 0.00 C ATOM 591 O LEU A 37 3.967 -4.230 -0.822 1.00 0.00 O ATOM 592 CB LEU A 37 3.617 -1.515 1.282 1.00 0.00 C ATOM 593 CG LEU A 37 2.282 -1.418 0.540 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.507 -2.734 0.633 1.00 0.00 C ATOM 595 CD2 LEU A 37 1.459 -0.231 1.045 1.00 0.00 C ATOM 0 H LEU A 37 5.950 -0.887 0.505 1.00 0.00 H new ATOM 0 HA LEU A 37 4.638 -3.353 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.415 -1.790 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.073 -0.525 1.299 1.00 0.00 H new ATOM 0 HG LEU A 37 2.489 -1.240 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.562 -2.639 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.097 -3.536 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.309 -2.967 1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.515 -0.185 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.259 -0.354 2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.016 0.692 0.884 1.00 0.00 H new ATOM 607 N LYS A 38 4.265 -2.146 -1.647 1.00 0.00 N ATOM 608 CA LYS A 38 3.926 -2.517 -3.010 1.00 0.00 C ATOM 609 C LYS A 38 4.775 -3.718 -3.434 1.00 0.00 C ATOM 610 O LYS A 38 4.330 -4.549 -4.224 1.00 0.00 O ATOM 611 CB LYS A 38 4.059 -1.312 -3.942 1.00 0.00 C ATOM 612 CG LYS A 38 3.916 -1.732 -5.406 1.00 0.00 C ATOM 613 CD LYS A 38 4.880 -0.949 -6.299 1.00 0.00 C ATOM 614 CE LYS A 38 4.508 0.534 -6.340 1.00 0.00 C ATOM 615 NZ LYS A 38 3.575 0.804 -7.457 1.00 0.00 N ATOM 0 H LYS A 38 4.503 -1.162 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 38 2.882 -2.826 -3.072 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.297 -0.572 -3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.027 -0.835 -3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.112 -2.800 -5.502 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.891 -1.565 -5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.898 -1.062 -5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.862 -1.360 -7.308 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.048 0.826 -5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.408 1.138 -6.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.333 1.815 -7.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.027 0.544 -8.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.709 0.242 -7.330 1.00 0.00 H new ATOM 629 N LYS A 39 5.980 -3.772 -2.887 1.00 0.00 N ATOM 630 CA LYS A 39 6.895 -4.857 -3.198 1.00 0.00 C ATOM 631 C LYS A 39 6.286 -6.181 -2.732 1.00 0.00 C ATOM 632 O LYS A 39 6.436 -7.206 -3.395 1.00 0.00 O ATOM 633 CB LYS A 39 8.279 -4.577 -2.610 1.00 0.00 C ATOM 634 CG LYS A 39 9.356 -5.395 -3.327 1.00 0.00 C ATOM 635 CD LYS A 39 10.247 -4.496 -4.185 1.00 0.00 C ATOM 636 CE LYS A 39 11.283 -5.321 -4.951 1.00 0.00 C ATOM 637 NZ LYS A 39 12.542 -4.558 -5.106 1.00 0.00 N ATOM 0 H LYS A 39 6.344 -3.082 -2.230 1.00 0.00 H new ATOM 0 HA LYS A 39 7.042 -4.934 -4.275 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.507 -3.515 -2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.282 -4.818 -1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.965 -5.923 -2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.885 -6.152 -3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.633 -3.934 -4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.753 -3.768 -3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.479 -6.253 -4.421 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.890 -5.589 -5.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.234 -5.133 -5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.354 -3.681 -5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.924 -4.324 -4.167 1.00 0.00 H new ATOM 651 N LYS A 40 5.610 -6.117 -1.594 1.00 0.00 N ATOM 652 CA LYS A 40 4.978 -7.297 -1.030 1.00 0.00 C ATOM 653 C LYS A 40 3.780 -7.691 -1.897 1.00 0.00 C ATOM 654 O LYS A 40 3.632 -8.855 -2.266 1.00 0.00 O ATOM 655 CB LYS A 40 4.623 -7.067 0.440 1.00 0.00 C ATOM 656 CG LYS A 40 5.666 -7.703 1.361 1.00 0.00 C ATOM 657 CD LYS A 40 5.109 -7.882 2.775 1.00 0.00 C ATOM 658 CE LYS A 40 5.785 -9.057 3.485 1.00 0.00 C ATOM 659 NZ LYS A 40 6.979 -8.597 4.229 1.00 0.00 N ATOM 0 H LYS A 40 5.486 -5.265 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 40 5.670 -8.139 -1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.560 -5.997 0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.640 -7.489 0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.969 -8.670 0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.558 -7.077 1.394 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.263 -6.968 3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.033 -8.051 2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.081 -9.528 4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.073 -9.813 2.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.425 -9.407 4.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.657 -8.168 3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.695 -7.892 4.939 1.00 0.00 H new ATOM 673 N ILE A 41 2.956 -6.698 -2.198 1.00 0.00 N ATOM 674 CA ILE A 41 1.776 -6.927 -3.014 1.00 0.00 C ATOM 675 C ILE A 41 2.194 -7.560 -4.343 1.00 0.00 C ATOM 676 O ILE A 41 1.388 -8.212 -5.005 1.00 0.00 O ATOM 677 CB ILE A 41 0.978 -5.631 -3.176 1.00 0.00 C ATOM 678 CG1 ILE A 41 0.730 -4.966 -1.820 1.00 0.00 C ATOM 679 CG2 ILE A 41 -0.325 -5.881 -3.938 1.00 0.00 C ATOM 680 CD1 ILE A 41 -0.248 -3.797 -1.952 1.00 0.00 C ATOM 0 H ILE A 41 3.082 -5.733 -1.891 1.00 0.00 H new ATOM 0 HA ILE A 41 1.104 -7.631 -2.522 1.00 0.00 H new ATOM 0 HB ILE A 41 1.571 -4.937 -3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.332 -5.700 -1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.674 -4.610 -1.408 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.873 -4.944 -4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.097 -6.277 -4.928 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.934 -6.600 -3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.406 -3.343 -0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.163 -3.054 -2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.199 -4.160 -2.341 1.00 0.00 H new ATOM 692 N GLU A 42 3.455 -7.347 -4.691 1.00 0.00 N ATOM 693 CA GLU A 42 3.990 -7.890 -5.928 1.00 0.00 C ATOM 694 C GLU A 42 4.180 -9.403 -5.807 1.00 0.00 C ATOM 695 O GLU A 42 3.682 -10.164 -6.635 1.00 0.00 O ATOM 696 CB GLU A 42 5.303 -7.201 -6.306 1.00 0.00 C ATOM 697 CG GLU A 42 5.093 -6.218 -7.461 1.00 0.00 C ATOM 698 CD GLU A 42 4.782 -4.815 -6.937 1.00 0.00 C ATOM 699 OE1 GLU A 42 5.740 -4.152 -6.484 1.00 0.00 O ATOM 700 OE2 GLU A 42 3.592 -4.437 -7.000 1.00 0.00 O ATOM 0 H GLU A 42 4.121 -6.807 -4.139 1.00 0.00 H new ATOM 0 HA GLU A 42 3.273 -7.697 -6.726 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.702 -6.672 -5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.042 -7.950 -6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.987 -6.187 -8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.275 -6.564 -8.093 1.00 0.00 H new ATOM 707 N GLU A 43 4.901 -9.794 -4.766 1.00 0.00 N ATOM 708 CA GLU A 43 5.163 -11.203 -4.525 1.00 0.00 C ATOM 709 C GLU A 43 3.962 -11.857 -3.838 1.00 0.00 C ATOM 710 O GLU A 43 3.900 -13.079 -3.720 1.00 0.00 O ATOM 711 CB GLU A 43 6.437 -11.390 -3.697 1.00 0.00 C ATOM 712 CG GLU A 43 7.323 -12.485 -4.294 1.00 0.00 C ATOM 713 CD GLU A 43 7.874 -13.401 -3.200 1.00 0.00 C ATOM 714 OE1 GLU A 43 8.164 -12.869 -2.107 1.00 0.00 O ATOM 715 OE2 GLU A 43 7.994 -14.612 -3.482 1.00 0.00 O ATOM 0 H GLU A 43 5.312 -9.160 -4.080 1.00 0.00 H new ATOM 0 HA GLU A 43 5.318 -11.693 -5.486 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.990 -10.451 -3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.174 -11.649 -2.671 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.748 -13.073 -5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.148 -12.031 -4.843 1.00 0.00 H new ATOM 722 N LEU A 44 3.038 -11.012 -3.403 1.00 0.00 N ATOM 723 CA LEU A 44 1.842 -11.492 -2.731 1.00 0.00 C ATOM 724 C LEU A 44 1.328 -12.743 -3.446 1.00 0.00 C ATOM 725 O LEU A 44 0.629 -12.644 -4.453 1.00 0.00 O ATOM 726 CB LEU A 44 0.803 -10.375 -2.624 1.00 0.00 C ATOM 727 CG LEU A 44 0.724 -9.661 -1.273 1.00 0.00 C ATOM 728 CD1 LEU A 44 -0.490 -8.729 -1.215 1.00 0.00 C ATOM 729 CD2 LEU A 44 0.730 -10.667 -0.120 1.00 0.00 C ATOM 0 H LEU A 44 3.094 -9.998 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 44 2.072 -11.782 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.016 -9.633 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.177 -10.795 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 44 1.613 -9.039 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.523 -8.234 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.411 -7.979 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.402 -9.310 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.673 -10.133 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.128 -11.333 -0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.649 -11.252 -0.153 1.00 0.00 H new ATOM 741 N GLY A 45 1.696 -13.892 -2.899 1.00 0.00 N ATOM 742 CA GLY A 45 1.280 -15.161 -3.472 1.00 0.00 C ATOM 743 C GLY A 45 1.291 -16.269 -2.416 1.00 0.00 C ATOM 744 O GLY A 45 1.849 -16.095 -1.334 1.00 0.00 O ATOM 0 H GLY A 45 2.278 -13.971 -2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.279 -15.064 -3.892 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.945 -15.429 -4.293 1.00 0.00 H new ATOM 748 N GLY A 46 0.670 -17.384 -2.770 1.00 0.00 N ATOM 749 CA GLY A 46 0.601 -18.521 -1.867 1.00 0.00 C ATOM 750 C GLY A 46 0.376 -18.062 -0.424 1.00 0.00 C ATOM 751 O GLY A 46 -0.751 -17.769 -0.030 1.00 0.00 O ATOM 0 H GLY A 46 0.210 -17.525 -3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.209 -19.184 -2.172 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.525 -19.096 -1.930 1.00 0.00 H new ATOM 755 N GLY A 47 1.469 -18.014 0.325 1.00 0.00 N ATOM 756 CA GLY A 47 1.405 -17.596 1.715 1.00 0.00 C ATOM 757 C GLY A 47 0.419 -16.439 1.895 1.00 0.00 C ATOM 758 O GLY A 47 0.522 -15.421 1.213 1.00 0.00 O ATOM 0 H GLY A 47 2.403 -18.258 -0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.101 -18.437 2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.395 -17.290 2.053 1.00 0.00 H new ATOM 762 N GLY A 48 -0.512 -16.636 2.816 1.00 0.00 N ATOM 763 CA GLY A 48 -1.514 -15.622 3.095 1.00 0.00 C ATOM 764 C GLY A 48 -0.980 -14.577 4.077 1.00 0.00 C ATOM 765 O GLY A 48 -1.657 -14.222 5.041 1.00 0.00 O ATOM 0 H GLY A 48 -0.594 -17.483 3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.811 -15.135 2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.406 -16.092 3.508 1.00 0.00 H new ATOM 769 N GLU A 49 0.230 -14.114 3.798 1.00 0.00 N ATOM 770 CA GLU A 49 0.864 -13.117 4.644 1.00 0.00 C ATOM 771 C GLU A 49 0.499 -11.709 4.169 1.00 0.00 C ATOM 772 O GLU A 49 1.336 -10.808 4.188 1.00 0.00 O ATOM 773 CB GLU A 49 2.381 -13.309 4.676 1.00 0.00 C ATOM 774 CG GLU A 49 2.789 -14.261 5.802 1.00 0.00 C ATOM 775 CD GLU A 49 2.591 -15.720 5.387 1.00 0.00 C ATOM 776 OE1 GLU A 49 2.758 -15.993 4.179 1.00 0.00 O ATOM 777 OE2 GLU A 49 2.278 -16.529 6.286 1.00 0.00 O ATOM 0 H GLU A 49 0.788 -14.411 2.998 1.00 0.00 H new ATOM 0 HA GLU A 49 0.494 -13.244 5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.721 -13.705 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.870 -12.345 4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.833 -14.093 6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.198 -14.050 6.693 1.00 0.00 H new ATOM 784 N VAL A 50 -0.751 -11.564 3.755 1.00 0.00 N ATOM 785 CA VAL A 50 -1.237 -10.281 3.275 1.00 0.00 C ATOM 786 C VAL A 50 -1.503 -9.363 4.471 1.00 0.00 C ATOM 787 O VAL A 50 -1.335 -8.148 4.374 1.00 0.00 O ATOM 788 CB VAL A 50 -2.469 -10.484 2.392 1.00 0.00 C ATOM 789 CG1 VAL A 50 -2.942 -9.156 1.797 1.00 0.00 C ATOM 790 CG2 VAL A 50 -2.190 -11.510 1.291 1.00 0.00 C ATOM 0 H VAL A 50 -1.442 -12.314 3.742 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.485 -9.796 2.652 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.271 -10.874 3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.819 -9.329 1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.199 -8.468 2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.145 -8.724 1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.082 -11.636 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.367 -11.160 0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.922 -12.465 1.743 1.00 0.00 H new ATOM 800 N LYS A 51 -1.915 -9.979 5.569 1.00 0.00 N ATOM 801 CA LYS A 51 -2.207 -9.233 6.781 1.00 0.00 C ATOM 802 C LYS A 51 -1.195 -8.094 6.929 1.00 0.00 C ATOM 803 O LYS A 51 -1.520 -7.036 7.466 1.00 0.00 O ATOM 804 CB LYS A 51 -2.258 -10.170 7.988 1.00 0.00 C ATOM 805 CG LYS A 51 -3.074 -9.554 9.127 1.00 0.00 C ATOM 806 CD LYS A 51 -3.245 -10.547 10.278 1.00 0.00 C ATOM 807 CE LYS A 51 -2.755 -9.947 11.597 1.00 0.00 C ATOM 808 NZ LYS A 51 -3.081 -10.844 12.728 1.00 0.00 N ATOM 0 H LYS A 51 -2.054 -10.987 5.645 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.195 -8.777 6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.698 -11.123 7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.246 -10.379 8.333 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.578 -8.654 9.489 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.053 -9.251 8.755 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.295 -10.826 10.369 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.690 -11.460 10.061 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.678 -9.786 11.552 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.217 -8.972 11.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.741 -10.421 13.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.111 -10.977 12.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.620 -11.765 12.585 1.00 0.00 H new ATOM 822 N LYS A 52 0.011 -8.350 6.444 1.00 0.00 N ATOM 823 CA LYS A 52 1.071 -7.359 6.516 1.00 0.00 C ATOM 824 C LYS A 52 0.790 -6.242 5.509 1.00 0.00 C ATOM 825 O LYS A 52 0.668 -5.078 5.886 1.00 0.00 O ATOM 826 CB LYS A 52 2.438 -8.023 6.331 1.00 0.00 C ATOM 827 CG LYS A 52 3.151 -8.193 7.675 1.00 0.00 C ATOM 828 CD LYS A 52 2.522 -9.325 8.490 1.00 0.00 C ATOM 829 CE LYS A 52 3.596 -10.256 9.056 1.00 0.00 C ATOM 830 NZ LYS A 52 2.978 -11.468 9.635 1.00 0.00 N ATOM 0 H LYS A 52 0.277 -9.229 6.000 1.00 0.00 H new ATOM 0 HA LYS A 52 1.095 -6.899 7.504 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.312 -8.996 5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.052 -7.419 5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.207 -8.405 7.506 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.099 -7.262 8.239 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.932 -8.906 9.305 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.837 -9.894 7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.294 -10.538 8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.172 -9.734 9.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.721 -12.089 10.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.330 -11.195 10.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.448 -11.974 8.897 1.00 0.00 H new ATOM 844 N VAL A 53 0.695 -6.637 4.247 1.00 0.00 N ATOM 845 CA VAL A 53 0.429 -5.684 3.184 1.00 0.00 C ATOM 846 C VAL A 53 -0.662 -4.712 3.636 1.00 0.00 C ATOM 847 O VAL A 53 -0.401 -3.525 3.828 1.00 0.00 O ATOM 848 CB VAL A 53 0.073 -6.424 1.894 1.00 0.00 C ATOM 849 CG1 VAL A 53 -0.796 -5.554 0.983 1.00 0.00 C ATOM 850 CG2 VAL A 53 1.334 -6.893 1.164 1.00 0.00 C ATOM 0 H VAL A 53 0.798 -7.604 3.938 1.00 0.00 H new ATOM 0 HA VAL A 53 1.320 -5.094 2.969 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.506 -7.307 2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.034 -6.105 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.719 -5.293 1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.255 -4.644 0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.052 -7.416 0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.951 -6.030 0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.898 -7.567 1.809 1.00 0.00 H new ATOM 860 N GLU A 54 -1.862 -5.250 3.791 1.00 0.00 N ATOM 861 CA GLU A 54 -2.994 -4.446 4.218 1.00 0.00 C ATOM 862 C GLU A 54 -2.563 -3.452 5.297 1.00 0.00 C ATOM 863 O GLU A 54 -2.565 -2.242 5.069 1.00 0.00 O ATOM 864 CB GLU A 54 -4.140 -5.331 4.714 1.00 0.00 C ATOM 865 CG GLU A 54 -4.587 -6.310 3.627 1.00 0.00 C ATOM 866 CD GLU A 54 -5.952 -5.915 3.059 1.00 0.00 C ATOM 867 OE1 GLU A 54 -6.960 -6.253 3.717 1.00 0.00 O ATOM 868 OE2 GLU A 54 -5.957 -5.283 1.981 1.00 0.00 O ATOM 0 H GLU A 54 -2.075 -6.234 3.628 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.359 -3.883 3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.821 -5.884 5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.982 -4.707 5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.848 -6.331 2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.639 -7.318 4.039 1.00 0.00 H new ATOM 875 N GLU A 55 -2.203 -3.997 6.449 1.00 0.00 N ATOM 876 CA GLU A 55 -1.770 -3.172 7.565 1.00 0.00 C ATOM 877 C GLU A 55 -0.791 -2.099 7.083 1.00 0.00 C ATOM 878 O GLU A 55 -0.738 -1.006 7.644 1.00 0.00 O ATOM 879 CB GLU A 55 -1.146 -4.028 8.669 1.00 0.00 C ATOM 880 CG GLU A 55 -1.989 -3.977 9.945 1.00 0.00 C ATOM 881 CD GLU A 55 -1.103 -3.828 11.183 1.00 0.00 C ATOM 882 OE1 GLU A 55 -0.108 -4.580 11.261 1.00 0.00 O ATOM 883 OE2 GLU A 55 -1.440 -2.965 12.022 1.00 0.00 O ATOM 0 H GLU A 55 -2.202 -5.000 6.635 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.644 -2.675 7.986 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.058 -5.060 8.328 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.137 -3.675 8.881 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.687 -3.142 9.891 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.585 -4.886 10.028 1.00 0.00 H new ATOM 890 N GLU A 56 -0.040 -2.451 6.049 1.00 0.00 N ATOM 891 CA GLU A 56 0.934 -1.532 5.486 1.00 0.00 C ATOM 892 C GLU A 56 0.230 -0.449 4.666 1.00 0.00 C ATOM 893 O GLU A 56 0.518 0.736 4.820 1.00 0.00 O ATOM 894 CB GLU A 56 1.966 -2.278 4.638 1.00 0.00 C ATOM 895 CG GLU A 56 3.385 -1.807 4.960 1.00 0.00 C ATOM 896 CD GLU A 56 3.654 -1.865 6.466 1.00 0.00 C ATOM 897 OE1 GLU A 56 3.990 -2.972 6.940 1.00 0.00 O ATOM 898 OE2 GLU A 56 3.517 -0.802 7.109 1.00 0.00 O ATOM 0 H GLU A 56 -0.087 -3.359 5.587 1.00 0.00 H new ATOM 0 HA GLU A 56 1.466 -1.051 6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.885 -3.350 4.820 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.757 -2.117 3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.107 -2.431 4.434 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.524 -0.787 4.601 1.00 0.00 H new ATOM 905 N VAL A 57 -0.679 -0.896 3.813 1.00 0.00 N ATOM 906 CA VAL A 57 -1.426 0.020 2.968 1.00 0.00 C ATOM 907 C VAL A 57 -2.331 0.891 3.841 1.00 0.00 C ATOM 908 O VAL A 57 -2.688 2.003 3.457 1.00 0.00 O ATOM 909 CB VAL A 57 -2.198 -0.762 1.901 1.00 0.00 C ATOM 910 CG1 VAL A 57 -2.611 0.150 0.745 1.00 0.00 C ATOM 911 CG2 VAL A 57 -1.380 -1.953 1.397 1.00 0.00 C ATOM 0 H VAL A 57 -0.915 -1.880 3.689 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.747 0.687 2.436 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.107 -1.151 2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.157 -0.430 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.249 0.949 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.721 0.582 0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.950 -2.492 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.447 -1.595 0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.160 -2.621 2.229 1.00 0.00 H new ATOM 921 N LYS A 58 -2.676 0.351 5.002 1.00 0.00 N ATOM 922 CA LYS A 58 -3.532 1.065 5.934 1.00 0.00 C ATOM 923 C LYS A 58 -2.782 2.281 6.480 1.00 0.00 C ATOM 924 O LYS A 58 -3.267 3.408 6.385 1.00 0.00 O ATOM 925 CB LYS A 58 -4.045 0.120 7.022 1.00 0.00 C ATOM 926 CG LYS A 58 -5.424 0.554 7.520 1.00 0.00 C ATOM 927 CD LYS A 58 -6.473 -0.526 7.243 1.00 0.00 C ATOM 928 CE LYS A 58 -7.829 -0.139 7.836 1.00 0.00 C ATOM 929 NZ LYS A 58 -8.529 -1.336 8.354 1.00 0.00 N ATOM 0 H LYS A 58 -2.378 -0.572 5.318 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.420 1.440 5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.099 -0.896 6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.342 0.103 7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.381 0.758 8.590 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.716 1.483 7.030 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.572 -0.675 6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.144 -1.475 7.667 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.688 0.583 8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.440 0.346 7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.448 -1.055 8.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.680 -2.012 7.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.952 -1.782 9.095 1.00 0.00 H new ATOM 943 N LYS A 59 -1.611 2.013 7.038 1.00 0.00 N ATOM 944 CA LYS A 59 -0.789 3.072 7.599 1.00 0.00 C ATOM 945 C LYS A 59 -0.787 4.269 6.646 1.00 0.00 C ATOM 946 O LYS A 59 -0.620 5.409 7.077 1.00 0.00 O ATOM 947 CB LYS A 59 0.609 2.546 7.929 1.00 0.00 C ATOM 948 CG LYS A 59 1.419 3.590 8.703 1.00 0.00 C ATOM 949 CD LYS A 59 2.595 4.100 7.868 1.00 0.00 C ATOM 950 CE LYS A 59 3.700 4.664 8.764 1.00 0.00 C ATOM 951 NZ LYS A 59 4.739 3.640 9.012 1.00 0.00 N ATOM 0 H LYS A 59 -1.211 1.078 7.114 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.206 3.418 8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.528 1.633 8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.130 2.286 7.008 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.774 4.425 8.978 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.789 3.154 9.631 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.994 3.288 7.261 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.250 4.872 7.181 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.148 5.538 8.292 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.275 4.996 9.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.809 3.456 10.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.484 2.761 8.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.655 3.982 8.659 1.00 0.00 H new ATOM 965 N LEU A 60 -0.976 3.969 5.370 1.00 0.00 N ATOM 966 CA LEU A 60 -0.997 5.006 4.353 1.00 0.00 C ATOM 967 C LEU A 60 -2.340 5.737 4.406 1.00 0.00 C ATOM 968 O LEU A 60 -2.407 6.890 4.832 1.00 0.00 O ATOM 969 CB LEU A 60 -0.672 4.417 2.979 1.00 0.00 C ATOM 970 CG LEU A 60 0.797 4.474 2.555 1.00 0.00 C ATOM 971 CD1 LEU A 60 1.332 3.074 2.244 1.00 0.00 C ATOM 972 CD2 LEU A 60 0.992 5.436 1.383 1.00 0.00 C ATOM 0 H LEU A 60 -1.116 3.022 5.017 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.221 5.746 4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.993 3.375 2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.266 4.942 2.231 1.00 0.00 H new ATOM 0 HG LEU A 60 1.379 4.863 3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.378 3.142 1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.248 2.447 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.751 2.634 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.045 5.458 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.396 5.101 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.674 6.436 1.677 1.00 0.00 H new ATOM 984 N GLU A 61 -3.376 5.039 3.966 1.00 0.00 N ATOM 985 CA GLU A 61 -4.714 5.608 3.958 1.00 0.00 C ATOM 986 C GLU A 61 -4.911 6.517 5.173 1.00 0.00 C ATOM 987 O GLU A 61 -5.348 7.659 5.035 1.00 0.00 O ATOM 988 CB GLU A 61 -5.776 4.509 3.917 1.00 0.00 C ATOM 989 CG GLU A 61 -5.929 3.946 2.503 1.00 0.00 C ATOM 990 CD GLU A 61 -7.309 4.273 1.929 1.00 0.00 C ATOM 991 OE1 GLU A 61 -8.286 4.170 2.703 1.00 0.00 O ATOM 992 OE2 GLU A 61 -7.357 4.619 0.729 1.00 0.00 O ATOM 0 H GLU A 61 -3.317 4.084 3.612 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.827 6.210 3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.502 3.708 4.603 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.731 4.908 4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.155 4.360 1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.785 2.866 2.520 1.00 0.00 H new ATOM 999 N GLU A 62 -4.579 5.977 6.337 1.00 0.00 N ATOM 1000 CA GLU A 62 -4.713 6.725 7.575 1.00 0.00 C ATOM 1001 C GLU A 62 -3.911 8.026 7.500 1.00 0.00 C ATOM 1002 O GLU A 62 -4.486 9.111 7.453 1.00 0.00 O ATOM 1003 CB GLU A 62 -4.280 5.882 8.775 1.00 0.00 C ATOM 1004 CG GLU A 62 -5.489 5.443 9.603 1.00 0.00 C ATOM 1005 CD GLU A 62 -5.074 5.078 11.030 1.00 0.00 C ATOM 1006 OE1 GLU A 62 -4.355 5.900 11.639 1.00 0.00 O ATOM 1007 OE2 GLU A 62 -5.485 3.987 11.479 1.00 0.00 O ATOM 0 H GLU A 62 -4.217 5.030 6.448 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.765 6.978 7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.734 5.004 8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.596 6.457 9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.227 6.245 9.629 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.967 4.586 9.129 1.00 0.00 H new ATOM 1014 N GLU A 63 -2.595 7.871 7.491 1.00 0.00 N ATOM 1015 CA GLU A 63 -1.707 9.019 7.422 1.00 0.00 C ATOM 1016 C GLU A 63 -2.112 9.935 6.264 1.00 0.00 C ATOM 1017 O GLU A 63 -2.296 11.136 6.453 1.00 0.00 O ATOM 1018 CB GLU A 63 -0.248 8.578 7.289 1.00 0.00 C ATOM 1019 CG GLU A 63 0.656 9.387 8.220 1.00 0.00 C ATOM 1020 CD GLU A 63 1.472 8.465 9.129 1.00 0.00 C ATOM 1021 OE1 GLU A 63 0.925 8.081 10.185 1.00 0.00 O ATOM 1022 OE2 GLU A 63 2.624 8.166 8.747 1.00 0.00 O ATOM 0 H GLU A 63 -2.122 6.968 7.530 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.798 9.580 8.352 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.162 7.517 7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.081 8.703 6.257 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.328 10.010 7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.050 10.059 8.827 1.00 0.00 H new ATOM 1029 N ILE A 64 -2.237 9.331 5.091 1.00 0.00 N ATOM 1030 CA ILE A 64 -2.615 10.076 3.903 1.00 0.00 C ATOM 1031 C ILE A 64 -3.876 10.890 4.197 1.00 0.00 C ATOM 1032 O ILE A 64 -4.001 12.032 3.754 1.00 0.00 O ATOM 1033 CB ILE A 64 -2.758 9.136 2.704 1.00 0.00 C ATOM 1034 CG1 ILE A 64 -1.443 8.405 2.421 1.00 0.00 C ATOM 1035 CG2 ILE A 64 -3.271 9.889 1.474 1.00 0.00 C ATOM 1036 CD1 ILE A 64 -1.360 7.972 0.956 1.00 0.00 C ATOM 0 H ILE A 64 -2.083 8.334 4.939 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.832 10.785 3.633 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.502 8.378 2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.602 9.056 2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.362 7.531 3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.363 9.198 0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.246 10.324 1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.570 10.682 1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.416 7.455 0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.188 7.301 0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.416 8.850 0.313 1.00 0.00 H new ATOM 1048 N LYS A 65 -4.780 10.274 4.945 1.00 0.00 N ATOM 1049 CA LYS A 65 -6.027 10.928 5.304 1.00 0.00 C ATOM 1050 C LYS A 65 -5.728 12.123 6.210 1.00 0.00 C ATOM 1051 O LYS A 65 -6.505 13.075 6.265 1.00 0.00 O ATOM 1052 CB LYS A 65 -7.004 9.921 5.915 1.00 0.00 C ATOM 1053 CG LYS A 65 -7.923 9.329 4.844 1.00 0.00 C ATOM 1054 CD LYS A 65 -9.125 8.630 5.480 1.00 0.00 C ATOM 1055 CE LYS A 65 -9.260 7.195 4.967 1.00 0.00 C ATOM 1056 NZ LYS A 65 -8.275 6.312 5.630 1.00 0.00 N ATOM 0 H LYS A 65 -4.673 9.328 5.312 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.523 11.318 4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.448 9.121 6.405 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.603 10.410 6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.268 10.120 4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.366 8.619 4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.014 8.623 6.564 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.035 9.187 5.256 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.269 6.829 5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.109 7.173 3.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.447 5.326 5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.314 6.591 5.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.371 6.398 6.662 1.00 0.00 H new ATOM 1070 N LYS A 66 -4.600 12.035 6.900 1.00 0.00 N ATOM 1071 CA LYS A 66 -4.189 13.098 7.802 1.00 0.00 C ATOM 1072 C LYS A 66 -3.347 14.118 7.031 1.00 0.00 C ATOM 1073 O LYS A 66 -3.457 15.320 7.264 1.00 0.00 O ATOM 1074 CB LYS A 66 -3.480 12.516 9.026 1.00 0.00 C ATOM 1075 CG LYS A 66 -3.950 13.205 10.310 1.00 0.00 C ATOM 1076 CD LYS A 66 -2.888 14.177 10.830 1.00 0.00 C ATOM 1077 CE LYS A 66 -2.827 14.155 12.358 1.00 0.00 C ATOM 1078 NZ LYS A 66 -1.896 13.103 12.824 1.00 0.00 N ATOM 0 H LYS A 66 -3.958 11.244 6.853 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.059 13.629 8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.677 11.446 9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.402 12.636 8.918 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.879 13.743 10.120 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.166 12.455 11.071 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.914 13.911 10.420 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.114 15.186 10.486 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.502 15.127 12.729 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.822 13.975 12.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.866 13.101 13.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.223 12.175 12.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.944 13.292 12.451 1.00 0.00 H new ATOM 1092 N LEU A 67 -2.528 13.599 6.128 1.00 0.00 N ATOM 1093 CA LEU A 67 -1.669 14.450 5.322 1.00 0.00 C ATOM 1094 C LEU A 67 -2.528 15.465 4.565 1.00 0.00 C ATOM 1095 O LEU A 67 -3.753 15.353 4.545 1.00 0.00 O ATOM 1096 CB LEU A 67 -0.775 13.602 4.414 1.00 0.00 C ATOM 1097 CG LEU A 67 0.158 12.617 5.121 1.00 0.00 C ATOM 1098 CD1 LEU A 67 0.443 11.401 4.237 1.00 0.00 C ATOM 1099 CD2 LEU A 67 1.444 13.310 5.576 1.00 0.00 C ATOM 0 H LEU A 67 -2.441 12.601 5.937 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.991 15.018 5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.413 13.041 3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.169 14.273 3.805 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.345 12.253 6.017 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.109 10.717 4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.493 10.892 4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.916 11.727 3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.089 12.588 6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.962 13.721 4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.198 14.116 6.268 1.00 0.00 H new TER 1111 LEU A 67