USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 531 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 2 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 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -174:sc= -1.63 (180deg=-1.92) USER MOD Single : A 26 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.29) USER MOD Single : A 28 ASN : amide:sc= -0.041 K(o=-0.041,f=-0.69) USER MOD Single : A 34 MET CE :methyl 154:sc= -1.23 (180deg=-3.42!) USER MOD Single : A 42 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.6!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 82:sc= 0.559 USER MOD Single : A 51 GLN : amide:sc= 0.616 K(o=0.62,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -0.487 K(o=-0.49,f=-5.1!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 167:sc= -4.21! (180deg=-4.67!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 3.969 -1.510 -0.955 1.00 25.34 N ATOM 19 CA LYS A 2 5.359 -1.876 -0.707 1.00 31.34 C ATOM 20 C LYS A 2 5.885 -2.791 -1.807 1.00 64.45 C ATOM 21 O LYS A 2 6.721 -3.660 -1.558 1.00 61.43 O ATOM 22 CB LYS A 2 5.491 -2.568 0.652 1.00 11.54 C ATOM 23 CG LYS A 2 4.435 -3.632 0.899 1.00 45.34 C ATOM 24 CD LYS A 2 4.554 -4.222 2.294 1.00 71.44 C ATOM 25 CE LYS A 2 3.853 -5.569 2.390 1.00 11.31 C ATOM 26 NZ LYS A 2 3.580 -5.952 3.803 1.00 10.11 N ATOM 0 HA LYS A 2 5.954 -0.963 -0.703 1.00 31.34 H new ATOM 0 HB2 LYS A 2 6.478 -3.025 0.723 1.00 11.54 H new ATOM 0 HB3 LYS A 2 5.429 -1.817 1.440 1.00 11.54 H new ATOM 0 HG2 LYS A 2 3.443 -3.199 0.770 1.00 45.34 H new ATOM 0 HG3 LYS A 2 4.536 -4.425 0.158 1.00 45.34 H new ATOM 0 HD2 LYS A 2 5.606 -4.339 2.552 1.00 71.44 H new ATOM 0 HD3 LYS A 2 4.122 -3.533 3.020 1.00 71.44 H new ATOM 0 HE2 LYS A 2 2.915 -5.531 1.836 1.00 11.31 H new ATOM 0 HE3 LYS A 2 4.470 -6.334 1.919 1.00 11.31 H new ATOM 0 HZ1 LYS A 2 3.102 -6.875 3.826 1.00 10.11 H new ATOM 0 HZ2 LYS A 2 4.477 -6.013 4.326 1.00 10.11 H new ATOM 0 HZ3 LYS A 2 2.970 -5.235 4.245 1.00 10.11 H new ATOM 40 N ARG A 3 5.392 -2.589 -3.025 1.00 22.31 N ATOM 41 CA ARG A 3 5.814 -3.396 -4.164 1.00 34.44 C ATOM 42 C ARG A 3 5.931 -2.542 -5.422 1.00 53.42 C ATOM 43 O ARG A 3 5.411 -1.427 -5.479 1.00 4.33 O ATOM 44 CB ARG A 3 4.824 -4.539 -4.400 1.00 41.23 C ATOM 45 CG ARG A 3 3.396 -4.070 -4.628 1.00 21.34 C ATOM 46 CD ARG A 3 2.552 -4.228 -3.373 1.00 33.02 C ATOM 47 NE ARG A 3 1.436 -5.148 -3.576 1.00 30.30 N ATOM 48 CZ ARG A 3 0.394 -4.880 -4.356 1.00 5.25 C ATOM 49 NH1 ARG A 3 0.327 -3.724 -5.002 1.00 73.32 N ATOM 50 NH2 ARG A 3 -0.582 -5.768 -4.490 1.00 22.32 N ATOM 0 H ARG A 3 4.700 -1.874 -3.248 1.00 22.31 H new ATOM 0 HA ARG A 3 6.795 -3.814 -3.938 1.00 34.44 H new ATOM 0 HB2 ARG A 3 5.150 -5.118 -5.264 1.00 41.23 H new ATOM 0 HB3 ARG A 3 4.845 -5.210 -3.541 1.00 41.23 H new ATOM 0 HG2 ARG A 3 3.400 -3.024 -4.936 1.00 21.34 H new ATOM 0 HG3 ARG A 3 2.950 -4.641 -5.442 1.00 21.34 H new ATOM 0 HD2 ARG A 3 3.178 -4.592 -2.558 1.00 33.02 H new ATOM 0 HD3 ARG A 3 2.168 -3.254 -3.069 1.00 33.02 H new ATOM 0 HE ARG A 3 1.458 -6.046 -3.092 1.00 30.30 H new ATOM 0 HH11 ARG A 3 1.076 -3.039 -4.901 1.00 73.32 H new ATOM 0 HH12 ARG A 3 -0.473 -3.520 -5.600 1.00 73.32 H new ATOM 0 HH21 ARG A 3 -0.533 -6.658 -3.994 1.00 22.32 H new ATOM 0 HH22 ARG A 3 -1.381 -5.561 -5.089 1.00 22.32 H new ATOM 64 N PHE A 4 6.617 -3.072 -6.429 1.00 53.44 N ATOM 65 CA PHE A 4 6.803 -2.357 -7.687 1.00 25.02 C ATOM 66 C PHE A 4 6.521 -3.269 -8.878 1.00 1.45 C ATOM 67 O PHE A 4 7.196 -4.280 -9.073 1.00 10.42 O ATOM 68 CB PHE A 4 8.228 -1.806 -7.778 1.00 61.42 C ATOM 69 CG PHE A 4 8.286 -0.350 -8.139 1.00 53.42 C ATOM 70 CD1 PHE A 4 7.569 0.587 -7.412 1.00 34.21 C ATOM 71 CD2 PHE A 4 9.057 0.084 -9.205 1.00 62.33 C ATOM 72 CE1 PHE A 4 7.619 1.928 -7.743 1.00 22.35 C ATOM 73 CE2 PHE A 4 9.112 1.424 -9.540 1.00 62.54 C ATOM 74 CZ PHE A 4 8.393 2.347 -8.807 1.00 71.22 C ATOM 0 H PHE A 4 7.053 -3.994 -6.399 1.00 53.44 H new ATOM 0 HA PHE A 4 6.097 -1.527 -7.713 1.00 25.02 H new ATOM 0 HB2 PHE A 4 8.728 -1.955 -6.821 1.00 61.42 H new ATOM 0 HB3 PHE A 4 8.784 -2.379 -8.521 1.00 61.42 H new ATOM 0 HD1 PHE A 4 6.964 0.266 -6.577 1.00 34.21 H new ATOM 0 HD2 PHE A 4 9.622 -0.633 -9.781 1.00 62.33 H new ATOM 0 HE1 PHE A 4 7.053 2.648 -7.170 1.00 22.35 H new ATOM 0 HE2 PHE A 4 9.717 1.748 -10.374 1.00 62.54 H new ATOM 0 HZ PHE A 4 8.436 3.395 -9.065 1.00 71.22 H new ATOM 84 N ASP A 5 5.519 -2.904 -9.670 1.00 2.54 N ATOM 85 CA ASP A 5 5.147 -3.687 -10.842 1.00 34.12 C ATOM 86 C ASP A 5 5.907 -3.213 -12.076 1.00 51.04 C ATOM 87 O ASP A 5 5.575 -2.183 -12.666 1.00 23.34 O ATOM 88 CB ASP A 5 3.640 -3.592 -11.088 1.00 0.14 C ATOM 89 CG ASP A 5 2.948 -4.936 -10.972 1.00 25.04 C ATOM 90 OD1 ASP A 5 3.195 -5.806 -11.833 1.00 4.04 O ATOM 91 OD2 ASP A 5 2.160 -5.118 -10.020 1.00 54.34 O ATOM 0 H ASP A 5 4.950 -2.071 -9.522 1.00 2.54 H new ATOM 0 HA ASP A 5 5.412 -4.727 -10.652 1.00 34.12 H new ATOM 0 HB2 ASP A 5 3.201 -2.898 -10.372 1.00 0.14 H new ATOM 0 HB3 ASP A 5 3.462 -3.180 -12.081 1.00 0.14 H new ATOM 96 N LEU A 6 6.928 -3.969 -12.462 1.00 64.44 N ATOM 97 CA LEU A 6 7.737 -3.626 -13.627 1.00 24.41 C ATOM 98 C LEU A 6 7.309 -4.438 -14.846 1.00 1.54 C ATOM 99 O LEU A 6 7.947 -4.381 -15.897 1.00 24.03 O ATOM 100 CB LEU A 6 9.219 -3.870 -13.333 1.00 13.20 C ATOM 101 CG LEU A 6 9.906 -2.833 -12.444 1.00 12.23 C ATOM 102 CD1 LEU A 6 9.728 -1.436 -13.018 1.00 1.23 C ATOM 103 CD2 LEU A 6 9.360 -2.902 -11.025 1.00 4.22 C ATOM 0 H LEU A 6 7.216 -4.824 -11.986 1.00 64.44 H new ATOM 0 HA LEU A 6 7.585 -2.569 -13.846 1.00 24.41 H new ATOM 0 HB2 LEU A 6 9.319 -4.847 -12.861 1.00 13.20 H new ATOM 0 HB3 LEU A 6 9.754 -3.918 -14.281 1.00 13.20 H new ATOM 0 HG LEU A 6 10.972 -3.058 -12.413 1.00 12.23 H new ATOM 0 HD11 LEU A 6 10.224 -0.711 -12.372 1.00 1.23 H new ATOM 0 HD12 LEU A 6 10.167 -1.393 -14.015 1.00 1.23 H new ATOM 0 HD13 LEU A 6 8.666 -1.200 -13.079 1.00 1.23 H new ATOM 0 HD21 LEU A 6 9.860 -2.157 -10.406 1.00 4.22 H new ATOM 0 HD22 LEU A 6 8.288 -2.703 -11.037 1.00 4.22 H new ATOM 0 HD23 LEU A 6 9.540 -3.895 -10.614 1.00 4.22 H new ATOM 115 N ARG A 7 6.224 -5.190 -14.697 1.00 55.25 N ATOM 116 CA ARG A 7 5.709 -6.012 -15.786 1.00 42.43 C ATOM 117 C ARG A 7 5.558 -5.190 -17.063 1.00 44.12 C ATOM 118 O ARG A 7 6.174 -5.475 -18.090 1.00 45.24 O ATOM 119 CB ARG A 7 4.362 -6.624 -15.399 1.00 52.10 C ATOM 120 CG ARG A 7 4.392 -8.139 -15.286 1.00 35.33 C ATOM 121 CD ARG A 7 3.232 -8.658 -14.450 1.00 73.32 C ATOM 122 NE ARG A 7 1.990 -8.721 -15.217 1.00 22.43 N ATOM 123 CZ ARG A 7 1.778 -9.587 -16.201 1.00 74.43 C ATOM 124 NH1 ARG A 7 2.719 -10.459 -16.537 1.00 11.21 N ATOM 125 NH2 ARG A 7 0.621 -9.583 -16.852 1.00 63.21 N ATOM 0 H ARG A 7 5.684 -5.247 -13.833 1.00 55.25 H new ATOM 0 HA ARG A 7 6.424 -6.813 -15.972 1.00 42.43 H new ATOM 0 HB2 ARG A 7 4.042 -6.203 -14.446 1.00 52.10 H new ATOM 0 HB3 ARG A 7 3.616 -6.338 -16.141 1.00 52.10 H new ATOM 0 HG2 ARG A 7 4.350 -8.580 -16.282 1.00 35.33 H new ATOM 0 HG3 ARG A 7 5.334 -8.453 -14.837 1.00 35.33 H new ATOM 0 HD2 ARG A 7 3.474 -9.651 -14.070 1.00 73.32 H new ATOM 0 HD3 ARG A 7 3.091 -8.011 -13.584 1.00 73.32 H new ATOM 0 HE ARG A 7 1.245 -8.064 -14.984 1.00 22.43 H new ATOM 0 HH11 ARG A 7 3.609 -10.466 -16.039 1.00 11.21 H new ATOM 0 HH12 ARG A 7 2.553 -11.123 -17.293 1.00 11.21 H new ATOM 0 HH21 ARG A 7 -0.106 -8.914 -16.596 1.00 63.21 H new ATOM 0 HH22 ARG A 7 0.459 -10.248 -17.608 1.00 63.21 H new ATOM 139 N PRO A 8 4.719 -4.146 -17.000 1.00 1.45 N ATOM 140 CA PRO A 8 4.468 -3.261 -18.141 1.00 74.44 C ATOM 141 C PRO A 8 5.676 -2.395 -18.481 1.00 33.12 C ATOM 142 O PRO A 8 5.698 -1.719 -19.510 1.00 41.21 O ATOM 143 CB PRO A 8 3.302 -2.391 -17.666 1.00 11.33 C ATOM 144 CG PRO A 8 3.407 -2.396 -16.180 1.00 10.23 C ATOM 145 CD PRO A 8 3.951 -3.747 -15.808 1.00 24.33 C ATOM 0 HA PRO A 8 4.256 -3.821 -19.052 1.00 74.44 H new ATOM 0 HB2 PRO A 8 3.375 -1.379 -18.065 1.00 11.33 H new ATOM 0 HB3 PRO A 8 2.346 -2.796 -17.997 1.00 11.33 H new ATOM 0 HG2 PRO A 8 4.066 -1.601 -15.833 1.00 10.23 H new ATOM 0 HG3 PRO A 8 2.434 -2.227 -15.719 1.00 10.23 H new ATOM 0 HD2 PRO A 8 4.583 -3.695 -14.922 1.00 24.33 H new ATOM 0 HD3 PRO A 8 3.152 -4.455 -15.589 1.00 24.33 H new ATOM 153 N LEU A 9 6.679 -2.420 -17.610 1.00 51.04 N ATOM 154 CA LEU A 9 7.892 -1.637 -17.818 1.00 51.24 C ATOM 155 C LEU A 9 8.873 -2.381 -18.718 1.00 61.13 C ATOM 156 O LEU A 9 8.968 -3.608 -18.672 1.00 14.24 O ATOM 157 CB LEU A 9 8.554 -1.319 -16.476 1.00 54.44 C ATOM 158 CG LEU A 9 8.349 0.101 -15.947 1.00 41.31 C ATOM 159 CD1 LEU A 9 7.396 0.097 -14.762 1.00 40.21 C ATOM 160 CD2 LEU A 9 9.683 0.723 -15.559 1.00 72.02 C ATOM 0 H LEU A 9 6.676 -2.974 -16.753 1.00 51.04 H new ATOM 0 HA LEU A 9 7.613 -0.704 -18.309 1.00 51.24 H new ATOM 0 HB2 LEU A 9 8.177 -2.021 -15.732 1.00 54.44 H new ATOM 0 HB3 LEU A 9 9.625 -1.499 -16.570 1.00 54.44 H new ATOM 0 HG LEU A 9 7.907 0.703 -16.740 1.00 41.31 H new ATOM 0 HD11 LEU A 9 7.262 1.116 -14.399 1.00 40.21 H new ATOM 0 HD12 LEU A 9 6.432 -0.307 -15.072 1.00 40.21 H new ATOM 0 HD13 LEU A 9 7.809 -0.521 -13.965 1.00 40.21 H new ATOM 0 HD21 LEU A 9 9.518 1.733 -15.185 1.00 72.02 H new ATOM 0 HD22 LEU A 9 10.153 0.120 -14.782 1.00 72.02 H new ATOM 0 HD23 LEU A 9 10.334 0.761 -16.432 1.00 72.02 H new ATOM 172 N LYS A 10 9.604 -1.631 -19.536 1.00 73.02 N ATOM 173 CA LYS A 10 10.581 -2.218 -20.445 1.00 42.10 C ATOM 174 C LYS A 10 11.897 -2.495 -19.724 1.00 75.32 C ATOM 175 O LYS A 10 12.165 -1.930 -18.665 1.00 24.45 O ATOM 176 CB LYS A 10 10.826 -1.287 -21.635 1.00 13.45 C ATOM 177 CG LYS A 10 11.647 -0.058 -21.286 1.00 4.41 C ATOM 178 CD LYS A 10 11.805 0.865 -22.482 1.00 43.45 C ATOM 179 CE LYS A 10 10.571 1.731 -22.685 1.00 43.13 C ATOM 180 NZ LYS A 10 10.666 2.549 -23.926 1.00 15.41 N ATOM 0 H LYS A 10 9.538 -0.614 -19.588 1.00 73.02 H new ATOM 0 HA LYS A 10 10.179 -3.164 -20.808 1.00 42.10 H new ATOM 0 HB2 LYS A 10 11.336 -1.843 -22.422 1.00 13.45 H new ATOM 0 HB3 LYS A 10 9.866 -0.969 -22.041 1.00 13.45 H new ATOM 0 HG2 LYS A 10 11.167 0.482 -20.470 1.00 4.41 H new ATOM 0 HG3 LYS A 10 12.630 -0.365 -20.930 1.00 4.41 H new ATOM 0 HD2 LYS A 10 12.678 1.502 -22.339 1.00 43.45 H new ATOM 0 HD3 LYS A 10 11.986 0.272 -23.379 1.00 43.45 H new ATOM 0 HE2 LYS A 10 9.686 1.096 -22.735 1.00 43.13 H new ATOM 0 HE3 LYS A 10 10.443 2.389 -21.825 1.00 43.13 H new ATOM 0 HZ1 LYS A 10 9.806 3.125 -24.029 1.00 15.41 H new ATOM 0 HZ2 LYS A 10 11.496 3.173 -23.868 1.00 15.41 H new ATOM 0 HZ3 LYS A 10 10.762 1.921 -24.749 1.00 15.41 H new ATOM 194 N ALA A 11 12.713 -3.367 -20.307 1.00 31.32 N ATOM 195 CA ALA A 11 14.001 -3.716 -19.722 1.00 24.25 C ATOM 196 C ALA A 11 14.986 -2.557 -19.831 1.00 62.12 C ATOM 197 O ALA A 11 14.962 -1.799 -20.799 1.00 52.44 O ATOM 198 CB ALA A 11 14.568 -4.958 -20.394 1.00 52.13 C ATOM 0 H ALA A 11 12.505 -3.844 -21.184 1.00 31.32 H new ATOM 0 HA ALA A 11 13.845 -3.928 -18.664 1.00 24.25 H new ATOM 0 HB1 ALA A 11 15.530 -5.207 -19.947 1.00 52.13 H new ATOM 0 HB2 ALA A 11 13.879 -5.792 -20.259 1.00 52.13 H new ATOM 0 HB3 ALA A 11 14.702 -4.767 -21.459 1.00 52.13 H new ATOM 204 N GLY A 12 15.852 -2.425 -18.831 1.00 23.52 N ATOM 205 CA GLY A 12 16.833 -1.355 -18.834 1.00 74.54 C ATOM 206 C GLY A 12 16.487 -0.250 -17.857 1.00 4.41 C ATOM 207 O GLY A 12 17.357 0.252 -17.144 1.00 64.31 O ATOM 0 H GLY A 12 15.892 -3.040 -18.018 1.00 23.52 H new ATOM 0 HA2 GLY A 12 17.812 -1.763 -18.584 1.00 74.54 H new ATOM 0 HA3 GLY A 12 16.908 -0.938 -19.838 1.00 74.54 H new ATOM 211 N ILE A 13 15.215 0.133 -17.824 1.00 63.10 N ATOM 212 CA ILE A 13 14.758 1.187 -16.927 1.00 41.01 C ATOM 213 C ILE A 13 14.085 0.603 -15.690 1.00 74.42 C ATOM 214 O ILE A 13 14.097 1.209 -14.619 1.00 35.24 O ATOM 215 CB ILE A 13 13.774 2.139 -17.632 1.00 72.35 C ATOM 216 CG1 ILE A 13 14.328 2.563 -18.994 1.00 75.54 C ATOM 217 CG2 ILE A 13 13.500 3.357 -16.763 1.00 42.03 C ATOM 218 CD1 ILE A 13 13.406 3.486 -19.760 1.00 45.32 C ATOM 0 H ILE A 13 14.483 -0.271 -18.408 1.00 63.10 H new ATOM 0 HA ILE A 13 15.642 1.749 -16.625 1.00 41.01 H new ATOM 0 HB ILE A 13 12.833 1.612 -17.791 1.00 72.35 H new ATOM 0 HG12 ILE A 13 15.287 3.060 -18.848 1.00 75.54 H new ATOM 0 HG13 ILE A 13 14.518 1.673 -19.593 1.00 75.54 H new ATOM 0 HG21 ILE A 13 12.803 4.020 -17.275 1.00 42.03 H new ATOM 0 HG22 ILE A 13 13.067 3.038 -15.815 1.00 42.03 H new ATOM 0 HG23 ILE A 13 14.434 3.887 -16.575 1.00 42.03 H new ATOM 0 HD11 ILE A 13 13.862 3.746 -20.715 1.00 45.32 H new ATOM 0 HD12 ILE A 13 12.454 2.985 -19.937 1.00 45.32 H new ATOM 0 HD13 ILE A 13 13.236 4.393 -19.181 1.00 45.32 H new ATOM 230 N PHE A 14 13.499 -0.580 -15.845 1.00 71.23 N ATOM 231 CA PHE A 14 12.821 -1.248 -14.741 1.00 34.24 C ATOM 232 C PHE A 14 13.783 -1.500 -13.584 1.00 2.33 C ATOM 233 O PHE A 14 13.370 -1.589 -12.428 1.00 63.20 O ATOM 234 CB PHE A 14 12.215 -2.572 -15.212 1.00 11.22 C ATOM 235 CG PHE A 14 13.210 -3.694 -15.284 1.00 60.50 C ATOM 236 CD1 PHE A 14 14.331 -3.593 -16.092 1.00 23.15 C ATOM 237 CD2 PHE A 14 13.024 -4.852 -14.545 1.00 11.53 C ATOM 238 CE1 PHE A 14 15.249 -4.624 -16.160 1.00 63.20 C ATOM 239 CE2 PHE A 14 13.939 -5.886 -14.609 1.00 15.42 C ATOM 240 CZ PHE A 14 15.052 -5.772 -15.418 1.00 71.44 C ATOM 0 H PHE A 14 13.480 -1.095 -16.725 1.00 71.23 H new ATOM 0 HA PHE A 14 12.022 -0.595 -14.391 1.00 34.24 H new ATOM 0 HB2 PHE A 14 11.409 -2.855 -14.535 1.00 11.22 H new ATOM 0 HB3 PHE A 14 11.769 -2.429 -16.196 1.00 11.22 H new ATOM 0 HD1 PHE A 14 14.489 -2.698 -16.676 1.00 23.15 H new ATOM 0 HD2 PHE A 14 12.154 -4.947 -13.912 1.00 11.53 H new ATOM 0 HE1 PHE A 14 16.119 -4.532 -16.793 1.00 63.20 H new ATOM 0 HE2 PHE A 14 13.783 -6.782 -14.027 1.00 15.42 H new ATOM 0 HZ PHE A 14 15.767 -6.579 -15.470 1.00 71.44 H new ATOM 250 N GLU A 15 15.068 -1.613 -13.905 1.00 23.12 N ATOM 251 CA GLU A 15 16.089 -1.856 -12.892 1.00 44.25 C ATOM 252 C GLU A 15 16.544 -0.547 -12.254 1.00 0.35 C ATOM 253 O GLU A 15 17.022 -0.531 -11.119 1.00 51.40 O ATOM 254 CB GLU A 15 17.289 -2.579 -13.509 1.00 52.30 C ATOM 255 CG GLU A 15 18.460 -2.739 -12.554 1.00 52.41 C ATOM 256 CD GLU A 15 19.633 -1.849 -12.916 1.00 1.44 C ATOM 257 OE1 GLU A 15 20.145 -1.971 -14.048 1.00 55.10 O ATOM 258 OE2 GLU A 15 20.039 -1.029 -12.065 1.00 24.30 O ATOM 0 H GLU A 15 15.427 -1.540 -14.857 1.00 23.12 H new ATOM 0 HA GLU A 15 15.653 -2.486 -12.117 1.00 44.25 H new ATOM 0 HB2 GLU A 15 16.972 -3.564 -13.851 1.00 52.30 H new ATOM 0 HB3 GLU A 15 17.621 -2.028 -14.389 1.00 52.30 H new ATOM 0 HG2 GLU A 15 18.132 -2.507 -11.541 1.00 52.41 H new ATOM 0 HG3 GLU A 15 18.785 -3.780 -12.554 1.00 52.41 H new ATOM 265 N ARG A 16 16.392 0.549 -12.991 1.00 22.34 N ATOM 266 CA ARG A 16 16.788 1.862 -12.498 1.00 4.34 C ATOM 267 C ARG A 16 15.687 2.476 -11.638 1.00 73.53 C ATOM 268 O ARG A 16 15.962 3.181 -10.667 1.00 23.23 O ATOM 269 CB ARG A 16 17.115 2.792 -13.668 1.00 12.45 C ATOM 270 CG ARG A 16 18.603 2.919 -13.948 1.00 62.00 C ATOM 271 CD ARG A 16 18.879 3.073 -15.436 1.00 14.44 C ATOM 272 NE ARG A 16 19.495 4.360 -15.747 1.00 51.15 N ATOM 273 CZ ARG A 16 20.776 4.633 -15.529 1.00 45.23 C ATOM 274 NH1 ARG A 16 21.573 3.714 -15.001 1.00 41.25 N ATOM 275 NH2 ARG A 16 21.264 5.828 -15.840 1.00 33.31 N ATOM 0 H ARG A 16 15.997 0.553 -13.932 1.00 22.34 H new ATOM 0 HA ARG A 16 17.678 1.737 -11.882 1.00 4.34 H new ATOM 0 HB2 ARG A 16 16.616 2.424 -14.564 1.00 12.45 H new ATOM 0 HB3 ARG A 16 16.707 3.781 -13.460 1.00 12.45 H new ATOM 0 HG2 ARG A 16 19.003 3.779 -13.412 1.00 62.00 H new ATOM 0 HG3 ARG A 16 19.122 2.038 -13.570 1.00 62.00 H new ATOM 0 HD2 ARG A 16 19.534 2.268 -15.769 1.00 14.44 H new ATOM 0 HD3 ARG A 16 17.946 2.974 -15.990 1.00 14.44 H new ATOM 0 HE ARG A 16 18.909 5.089 -16.154 1.00 51.15 H new ATOM 0 HH11 ARG A 16 21.202 2.794 -14.761 1.00 41.25 H new ATOM 0 HH12 ARG A 16 22.557 3.927 -14.835 1.00 41.25 H new ATOM 0 HH21 ARG A 16 20.655 6.538 -16.247 1.00 33.31 H new ATOM 0 HH22 ARG A 16 22.248 6.036 -15.672 1.00 33.31 H new ATOM 289 N LEU A 17 14.439 2.203 -12.003 1.00 33.23 N ATOM 290 CA LEU A 17 13.294 2.728 -11.266 1.00 24.13 C ATOM 291 C LEU A 17 13.118 1.995 -9.940 1.00 10.14 C ATOM 292 O LEU A 17 12.568 2.544 -8.985 1.00 64.22 O ATOM 293 CB LEU A 17 12.021 2.602 -12.104 1.00 43.03 C ATOM 294 CG LEU A 17 11.328 3.914 -12.473 1.00 14.05 C ATOM 295 CD1 LEU A 17 10.848 4.633 -11.222 1.00 15.44 C ATOM 296 CD2 LEU A 17 12.264 4.805 -13.276 1.00 73.12 C ATOM 0 H LEU A 17 14.194 1.621 -12.804 1.00 33.23 H new ATOM 0 HA LEU A 17 13.480 3.781 -11.056 1.00 24.13 H new ATOM 0 HB2 LEU A 17 12.267 2.073 -13.025 1.00 43.03 H new ATOM 0 HB3 LEU A 17 11.311 1.980 -11.559 1.00 43.03 H new ATOM 0 HG LEU A 17 10.460 3.683 -13.091 1.00 14.05 H new ATOM 0 HD11 LEU A 17 10.357 5.565 -11.504 1.00 15.44 H new ATOM 0 HD12 LEU A 17 10.142 3.999 -10.686 1.00 15.44 H new ATOM 0 HD13 LEU A 17 11.700 4.852 -10.579 1.00 15.44 H new ATOM 0 HD21 LEU A 17 11.753 5.734 -13.530 1.00 73.12 H new ATOM 0 HD22 LEU A 17 13.151 5.028 -12.683 1.00 73.12 H new ATOM 0 HD23 LEU A 17 12.559 4.292 -14.191 1.00 73.12 H new ATOM 308 N GLU A 18 13.590 0.753 -9.888 1.00 50.31 N ATOM 309 CA GLU A 18 13.485 -0.053 -8.678 1.00 61.40 C ATOM 310 C GLU A 18 14.182 0.631 -7.506 1.00 11.14 C ATOM 311 O GLU A 18 13.798 0.449 -6.351 1.00 25.33 O ATOM 312 CB GLU A 18 14.092 -1.439 -8.908 1.00 2.01 C ATOM 313 CG GLU A 18 13.250 -2.573 -8.348 1.00 61.12 C ATOM 314 CD GLU A 18 12.910 -3.618 -9.393 1.00 40.11 C ATOM 315 OE1 GLU A 18 12.353 -3.245 -10.446 1.00 75.13 O ATOM 316 OE2 GLU A 18 13.202 -4.809 -9.157 1.00 61.11 O ATOM 0 H GLU A 18 14.048 0.284 -10.669 1.00 50.31 H new ATOM 0 HA GLU A 18 12.428 -0.162 -8.436 1.00 61.40 H new ATOM 0 HB2 GLU A 18 14.229 -1.593 -9.978 1.00 2.01 H new ATOM 0 HB3 GLU A 18 15.082 -1.473 -8.452 1.00 2.01 H new ATOM 0 HG2 GLU A 18 13.786 -3.047 -7.526 1.00 61.12 H new ATOM 0 HG3 GLU A 18 12.328 -2.166 -7.934 1.00 61.12 H new ATOM 323 N GLU A 19 15.208 1.419 -7.813 1.00 31.24 N ATOM 324 CA GLU A 19 15.959 2.129 -6.784 1.00 50.34 C ATOM 325 C GLU A 19 15.244 3.415 -6.379 1.00 42.21 C ATOM 326 O GLU A 19 15.397 3.896 -5.255 1.00 52.25 O ATOM 327 CB GLU A 19 17.369 2.452 -7.283 1.00 1.11 C ATOM 328 CG GLU A 19 18.141 3.385 -6.365 1.00 33.14 C ATOM 329 CD GLU A 19 18.237 4.795 -6.913 1.00 43.31 C ATOM 330 OE1 GLU A 19 17.240 5.275 -7.492 1.00 43.52 O ATOM 331 OE2 GLU A 19 19.309 5.419 -6.764 1.00 31.52 O ATOM 0 H GLU A 19 15.538 1.582 -8.764 1.00 31.24 H new ATOM 0 HA GLU A 19 16.030 1.482 -5.910 1.00 50.34 H new ATOM 0 HB2 GLU A 19 17.927 1.523 -7.395 1.00 1.11 H new ATOM 0 HB3 GLU A 19 17.300 2.904 -8.272 1.00 1.11 H new ATOM 0 HG2 GLU A 19 17.657 3.411 -5.389 1.00 33.14 H new ATOM 0 HG3 GLU A 19 19.145 2.989 -6.212 1.00 33.14 H new ATOM 338 N LEU A 20 14.464 3.967 -7.302 1.00 1.21 N ATOM 339 CA LEU A 20 13.725 5.198 -7.042 1.00 42.03 C ATOM 340 C LEU A 20 12.709 4.997 -5.923 1.00 13.20 C ATOM 341 O LEU A 20 12.479 5.894 -5.112 1.00 1.55 O ATOM 342 CB LEU A 20 13.015 5.668 -8.313 1.00 62.53 C ATOM 343 CG LEU A 20 13.469 7.014 -8.877 1.00 43.33 C ATOM 344 CD1 LEU A 20 14.457 6.811 -10.016 1.00 21.45 C ATOM 345 CD2 LEU A 20 12.272 7.827 -9.347 1.00 75.11 C ATOM 0 H LEU A 20 14.327 3.582 -8.237 1.00 1.21 H new ATOM 0 HA LEU A 20 14.437 5.961 -6.728 1.00 42.03 H new ATOM 0 HB2 LEU A 20 13.152 4.909 -9.083 1.00 62.53 H new ATOM 0 HB3 LEU A 20 11.946 5.725 -8.108 1.00 62.53 H new ATOM 0 HG LEU A 20 13.970 7.567 -8.083 1.00 43.33 H new ATOM 0 HD11 LEU A 20 14.769 7.781 -10.404 1.00 21.45 H new ATOM 0 HD12 LEU A 20 15.329 6.270 -9.649 1.00 21.45 H new ATOM 0 HD13 LEU A 20 13.982 6.237 -10.812 1.00 21.45 H new ATOM 0 HD21 LEU A 20 12.615 8.782 -9.745 1.00 75.11 H new ATOM 0 HD22 LEU A 20 11.742 7.278 -10.126 1.00 75.11 H new ATOM 0 HD23 LEU A 20 11.600 8.004 -8.507 1.00 75.11 H new ATOM 357 N ILE A 21 12.105 3.814 -5.885 1.00 12.35 N ATOM 358 CA ILE A 21 11.116 3.495 -4.863 1.00 33.04 C ATOM 359 C ILE A 21 11.781 2.939 -3.608 1.00 41.22 C ATOM 360 O ILE A 21 11.317 3.172 -2.493 1.00 14.12 O ATOM 361 CB ILE A 21 10.083 2.475 -5.378 1.00 25.54 C ATOM 362 CG1 ILE A 21 9.003 2.232 -4.322 1.00 0.14 C ATOM 363 CG2 ILE A 21 10.770 1.169 -5.750 1.00 72.04 C ATOM 364 CD1 ILE A 21 8.230 3.478 -3.951 1.00 2.43 C ATOM 0 H ILE A 21 12.283 3.061 -6.550 1.00 12.35 H new ATOM 0 HA ILE A 21 10.605 4.426 -4.618 1.00 33.04 H new ATOM 0 HB ILE A 21 9.607 2.881 -6.271 1.00 25.54 H new ATOM 0 HG12 ILE A 21 8.307 1.479 -4.692 1.00 0.14 H new ATOM 0 HG13 ILE A 21 9.468 1.822 -3.425 1.00 0.14 H new ATOM 0 HG21 ILE A 21 10.028 0.458 -6.112 1.00 72.04 H new ATOM 0 HG22 ILE A 21 11.506 1.355 -6.532 1.00 72.04 H new ATOM 0 HG23 ILE A 21 11.269 0.758 -4.873 1.00 72.04 H new ATOM 0 HD11 ILE A 21 7.482 3.231 -3.198 1.00 2.43 H new ATOM 0 HD12 ILE A 21 8.915 4.225 -3.551 1.00 2.43 H new ATOM 0 HD13 ILE A 21 7.736 3.877 -4.837 1.00 2.43 H new ATOM 376 N GLU A 22 12.873 2.205 -3.800 1.00 34.24 N ATOM 377 CA GLU A 22 13.603 1.617 -2.683 1.00 35.24 C ATOM 378 C GLU A 22 14.007 2.687 -1.673 1.00 50.42 C ATOM 379 O GLU A 22 14.185 2.405 -0.488 1.00 75.41 O ATOM 380 CB GLU A 22 14.845 0.881 -3.188 1.00 24.25 C ATOM 381 CG GLU A 22 15.116 -0.426 -2.461 1.00 74.35 C ATOM 382 CD GLU A 22 15.231 -1.606 -3.407 1.00 41.13 C ATOM 383 OE1 GLU A 22 15.874 -1.457 -4.467 1.00 40.42 O ATOM 384 OE2 GLU A 22 14.678 -2.679 -3.087 1.00 1.14 O ATOM 0 H GLU A 22 13.271 2.004 -4.717 1.00 34.24 H new ATOM 0 HA GLU A 22 12.944 0.904 -2.187 1.00 35.24 H new ATOM 0 HB2 GLU A 22 14.729 0.677 -4.252 1.00 24.25 H new ATOM 0 HB3 GLU A 22 15.712 1.533 -3.081 1.00 24.25 H new ATOM 0 HG2 GLU A 22 16.038 -0.334 -1.887 1.00 74.35 H new ATOM 0 HG3 GLU A 22 14.314 -0.614 -1.747 1.00 74.35 H new ATOM 391 N LYS A 23 14.152 3.919 -2.151 1.00 74.44 N ATOM 392 CA LYS A 23 14.534 5.033 -1.293 1.00 44.31 C ATOM 393 C LYS A 23 13.447 5.326 -0.264 1.00 61.10 C ATOM 394 O LYS A 23 13.740 5.616 0.895 1.00 11.52 O ATOM 395 CB LYS A 23 14.804 6.283 -2.135 1.00 23.43 C ATOM 396 CG LYS A 23 16.277 6.642 -2.235 1.00 14.23 C ATOM 397 CD LYS A 23 16.492 7.874 -3.098 1.00 24.01 C ATOM 398 CE LYS A 23 17.908 8.413 -2.956 1.00 73.23 C ATOM 399 NZ LYS A 23 18.870 7.678 -3.823 1.00 23.32 N ATOM 0 H LYS A 23 14.010 4.170 -3.129 1.00 74.44 H new ATOM 0 HA LYS A 23 15.445 4.755 -0.763 1.00 44.31 H new ATOM 0 HB2 LYS A 23 14.407 6.128 -3.138 1.00 23.43 H new ATOM 0 HB3 LYS A 23 14.262 7.125 -1.705 1.00 23.43 H new ATOM 0 HG2 LYS A 23 16.678 6.821 -1.237 1.00 14.23 H new ATOM 0 HG3 LYS A 23 16.830 5.801 -2.654 1.00 14.23 H new ATOM 0 HD2 LYS A 23 16.298 7.627 -4.142 1.00 24.01 H new ATOM 0 HD3 LYS A 23 15.777 8.647 -2.816 1.00 24.01 H new ATOM 0 HE2 LYS A 23 17.921 9.472 -3.215 1.00 73.23 H new ATOM 0 HE3 LYS A 23 18.224 8.335 -1.916 1.00 73.23 H new ATOM 0 HZ1 LYS A 23 19.823 8.075 -3.698 1.00 23.32 H new ATOM 0 HZ2 LYS A 23 18.876 6.672 -3.559 1.00 23.32 H new ATOM 0 HZ3 LYS A 23 18.583 7.773 -4.818 1.00 23.32 H new ATOM 413 N GLU A 24 12.192 5.246 -0.696 1.00 65.51 N ATOM 414 CA GLU A 24 11.062 5.501 0.189 1.00 5.43 C ATOM 415 C GLU A 24 10.859 4.342 1.161 1.00 41.32 C ATOM 416 O GLU A 24 10.527 4.548 2.328 1.00 64.11 O ATOM 417 CB GLU A 24 9.788 5.727 -0.626 1.00 52.24 C ATOM 418 CG GLU A 24 8.951 6.897 -0.137 1.00 1.22 C ATOM 419 CD GLU A 24 7.636 6.458 0.477 1.00 71.53 C ATOM 420 OE1 GLU A 24 6.865 5.755 -0.210 1.00 44.23 O ATOM 421 OE2 GLU A 24 7.378 6.816 1.645 1.00 53.21 O ATOM 0 H GLU A 24 11.933 5.007 -1.653 1.00 65.51 H new ATOM 0 HA GLU A 24 11.280 6.401 0.764 1.00 5.43 H new ATOM 0 HB2 GLU A 24 10.059 5.896 -1.668 1.00 52.24 H new ATOM 0 HB3 GLU A 24 9.183 4.821 -0.597 1.00 52.24 H new ATOM 0 HG2 GLU A 24 9.521 7.463 0.600 1.00 1.22 H new ATOM 0 HG3 GLU A 24 8.751 7.570 -0.971 1.00 1.22 H new ATOM 428 N MET A 25 11.060 3.124 0.669 1.00 21.14 N ATOM 429 CA MET A 25 10.900 1.932 1.494 1.00 75.22 C ATOM 430 C MET A 25 11.704 2.051 2.784 1.00 32.14 C ATOM 431 O MET A 25 12.803 2.604 2.791 1.00 23.34 O ATOM 432 CB MET A 25 11.337 0.687 0.719 1.00 5.22 C ATOM 433 CG MET A 25 10.584 0.487 -0.586 1.00 3.40 C ATOM 434 SD MET A 25 8.810 0.284 -0.340 1.00 13.43 S ATOM 435 CE MET A 25 8.784 -1.062 0.841 1.00 74.42 C ATOM 0 H MET A 25 11.334 2.936 -0.296 1.00 21.14 H new ATOM 0 HA MET A 25 9.845 1.839 1.752 1.00 75.22 H new ATOM 0 HB2 MET A 25 12.404 0.758 0.506 1.00 5.22 H new ATOM 0 HB3 MET A 25 11.195 -0.191 1.349 1.00 5.22 H new ATOM 0 HG2 MET A 25 10.761 1.343 -1.238 1.00 3.40 H new ATOM 0 HG3 MET A 25 10.979 -0.391 -1.098 1.00 3.40 H new ATOM 0 HE1 MET A 25 7.754 -1.376 1.012 1.00 74.42 H new ATOM 0 HE2 MET A 25 9.359 -1.901 0.449 1.00 74.42 H new ATOM 0 HE3 MET A 25 9.223 -0.729 1.781 1.00 74.42 H new ATOM 445 N GLN A 26 11.148 1.529 3.873 1.00 11.42 N ATOM 446 CA GLN A 26 11.814 1.579 5.169 1.00 3.11 C ATOM 447 C GLN A 26 13.156 0.855 5.120 1.00 74.04 C ATOM 448 O GLN A 26 13.419 0.044 4.231 1.00 15.13 O ATOM 449 CB GLN A 26 10.925 0.958 6.248 1.00 62.54 C ATOM 450 CG GLN A 26 10.296 1.979 7.181 1.00 43.40 C ATOM 451 CD GLN A 26 10.348 1.552 8.634 1.00 20.25 C ATOM 452 OE1 GLN A 26 10.035 0.409 8.969 1.00 72.21 O ATOM 453 NE2 GLN A 26 10.745 2.470 9.508 1.00 21.41 N ATOM 0 H GLN A 26 10.239 1.067 3.883 1.00 11.42 H new ATOM 0 HA GLN A 26 11.995 2.625 5.416 1.00 3.11 H new ATOM 0 HB2 GLN A 26 10.134 0.382 5.768 1.00 62.54 H new ATOM 0 HB3 GLN A 26 11.518 0.258 6.836 1.00 62.54 H new ATOM 0 HG2 GLN A 26 10.810 2.934 7.068 1.00 43.40 H new ATOM 0 HG3 GLN A 26 9.258 2.140 6.891 1.00 43.40 H new ATOM 0 HE21 GLN A 26 10.995 3.405 9.187 1.00 21.41 H new ATOM 0 HE22 GLN A 26 10.800 2.240 10.500 1.00 21.41 H new ATOM 462 N PRO A 27 14.026 1.153 6.096 1.00 40.24 N ATOM 463 CA PRO A 27 15.355 0.541 6.185 1.00 0.23 C ATOM 464 C PRO A 27 15.289 -0.935 6.561 1.00 62.20 C ATOM 465 O PRO A 27 16.306 -1.628 6.574 1.00 10.45 O ATOM 466 CB PRO A 27 16.042 1.345 7.293 1.00 75.33 C ATOM 467 CG PRO A 27 14.925 1.866 8.130 1.00 42.30 C ATOM 468 CD PRO A 27 13.779 2.110 7.187 1.00 5.41 C ATOM 0 HA PRO A 27 15.881 0.568 5.231 1.00 0.23 H new ATOM 0 HB2 PRO A 27 16.716 0.718 7.877 1.00 75.33 H new ATOM 0 HB3 PRO A 27 16.640 2.158 6.880 1.00 75.33 H new ATOM 0 HG2 PRO A 27 14.649 1.148 8.902 1.00 42.30 H new ATOM 0 HG3 PRO A 27 15.215 2.786 8.638 1.00 42.30 H new ATOM 0 HD2 PRO A 27 12.817 1.931 7.668 1.00 5.41 H new ATOM 0 HD3 PRO A 27 13.768 3.138 6.825 1.00 5.41 H new ATOM 476 N ASN A 28 14.086 -1.411 6.865 1.00 11.42 N ATOM 477 CA ASN A 28 13.888 -2.806 7.241 1.00 0.33 C ATOM 478 C ASN A 28 12.538 -3.316 6.748 1.00 53.15 C ATOM 479 O ASN A 28 11.884 -4.116 7.416 1.00 70.13 O ATOM 480 CB ASN A 28 13.981 -2.964 8.760 1.00 24.32 C ATOM 481 CG ASN A 28 14.737 -4.215 9.166 1.00 44.24 C ATOM 482 OD1 ASN A 28 14.789 -5.192 8.418 1.00 1.14 O ATOM 483 ND2 ASN A 28 15.328 -4.190 10.355 1.00 41.54 N ATOM 0 H ASN A 28 13.233 -0.851 6.858 1.00 11.42 H new ATOM 0 HA ASN A 28 14.674 -3.398 6.771 1.00 0.33 H new ATOM 0 HB2 ASN A 28 14.476 -2.090 9.184 1.00 24.32 H new ATOM 0 HB3 ASN A 28 12.976 -2.997 9.181 1.00 24.32 H new ATOM 0 HD21 ASN A 28 15.851 -5.002 10.682 1.00 41.54 H new ATOM 0 HD22 ASN A 28 15.259 -3.359 10.942 1.00 41.54 H new ATOM 490 N GLU A 29 12.127 -2.847 5.573 1.00 24.11 N ATOM 491 CA GLU A 29 10.855 -3.256 4.990 1.00 32.25 C ATOM 492 C GLU A 29 11.076 -4.167 3.786 1.00 54.30 C ATOM 493 O GLU A 29 12.189 -4.277 3.273 1.00 62.21 O ATOM 494 CB GLU A 29 10.041 -2.029 4.574 1.00 64.04 C ATOM 495 CG GLU A 29 8.805 -1.800 5.427 1.00 44.50 C ATOM 496 CD GLU A 29 7.615 -2.615 4.960 1.00 12.44 C ATOM 497 OE1 GLU A 29 7.702 -3.860 4.984 1.00 14.13 O ATOM 498 OE2 GLU A 29 6.596 -2.006 4.572 1.00 52.05 O ATOM 0 H GLU A 29 12.657 -2.184 5.007 1.00 24.11 H new ATOM 0 HA GLU A 29 10.300 -3.811 5.746 1.00 32.25 H new ATOM 0 HB2 GLU A 29 10.678 -1.146 4.628 1.00 64.04 H new ATOM 0 HB3 GLU A 29 9.738 -2.141 3.533 1.00 64.04 H new ATOM 0 HG2 GLU A 29 9.031 -2.054 6.463 1.00 44.50 H new ATOM 0 HG3 GLU A 29 8.546 -0.741 5.408 1.00 44.50 H new ATOM 505 N VAL A 30 10.006 -4.818 3.340 1.00 41.01 N ATOM 506 CA VAL A 30 10.081 -5.719 2.196 1.00 45.21 C ATOM 507 C VAL A 30 9.596 -5.033 0.924 1.00 75.32 C ATOM 508 O VAL A 30 8.666 -4.228 0.957 1.00 1.50 O ATOM 509 CB VAL A 30 9.249 -6.993 2.429 1.00 31.43 C ATOM 510 CG1 VAL A 30 7.809 -6.637 2.765 1.00 52.30 C ATOM 511 CG2 VAL A 30 9.312 -7.901 1.210 1.00 13.01 C ATOM 0 H VAL A 30 9.077 -4.738 3.754 1.00 41.01 H new ATOM 0 HA VAL A 30 11.129 -5.996 2.079 1.00 45.21 H new ATOM 0 HB VAL A 30 9.672 -7.532 3.277 1.00 31.43 H new ATOM 0 HG11 VAL A 30 7.237 -7.550 2.926 1.00 52.30 H new ATOM 0 HG12 VAL A 30 7.786 -6.030 3.670 1.00 52.30 H new ATOM 0 HG13 VAL A 30 7.371 -6.075 1.940 1.00 52.30 H new ATOM 0 HG21 VAL A 30 8.718 -8.797 1.392 1.00 13.01 H new ATOM 0 HG22 VAL A 30 8.916 -7.373 0.342 1.00 13.01 H new ATOM 0 HG23 VAL A 30 10.347 -8.184 1.021 1.00 13.01 H new ATOM 521 N ALA A 31 10.231 -5.360 -0.197 1.00 54.41 N ATOM 522 CA ALA A 31 9.861 -4.777 -1.481 1.00 65.44 C ATOM 523 C ALA A 31 9.678 -5.858 -2.542 1.00 34.15 C ATOM 524 O ALA A 31 10.637 -6.520 -2.939 1.00 33.42 O ATOM 525 CB ALA A 31 10.913 -3.772 -1.927 1.00 11.12 C ATOM 0 H ALA A 31 11.003 -6.025 -0.242 1.00 54.41 H new ATOM 0 HA ALA A 31 8.909 -4.260 -1.357 1.00 65.44 H new ATOM 0 HB1 ALA A 31 10.624 -3.345 -2.887 1.00 11.12 H new ATOM 0 HB2 ALA A 31 10.994 -2.977 -1.186 1.00 11.12 H new ATOM 0 HB3 ALA A 31 11.875 -4.273 -2.028 1.00 11.12 H new ATOM 531 N ILE A 32 8.441 -6.031 -2.995 1.00 33.32 N ATOM 532 CA ILE A 32 8.132 -7.032 -4.009 1.00 45.31 C ATOM 533 C ILE A 32 8.180 -6.428 -5.409 1.00 24.32 C ATOM 534 O ILE A 32 7.303 -5.656 -5.794 1.00 14.52 O ATOM 535 CB ILE A 32 6.744 -7.657 -3.779 1.00 60.22 C ATOM 536 CG1 ILE A 32 6.688 -8.338 -2.410 1.00 54.11 C ATOM 537 CG2 ILE A 32 6.421 -8.651 -4.885 1.00 24.32 C ATOM 538 CD1 ILE A 32 5.436 -8.014 -1.625 1.00 52.23 C ATOM 0 H ILE A 32 7.636 -5.491 -2.676 1.00 33.32 H new ATOM 0 HA ILE A 32 8.890 -7.811 -3.925 1.00 45.31 H new ATOM 0 HB ILE A 32 5.996 -6.864 -3.800 1.00 60.22 H new ATOM 0 HG12 ILE A 32 6.752 -9.417 -2.547 1.00 54.11 H new ATOM 0 HG13 ILE A 32 7.560 -8.038 -1.828 1.00 54.11 H new ATOM 0 HG21 ILE A 32 5.437 -9.085 -4.709 1.00 24.32 H new ATOM 0 HG22 ILE A 32 6.425 -8.139 -5.847 1.00 24.32 H new ATOM 0 HG23 ILE A 32 7.170 -9.443 -4.893 1.00 24.32 H new ATOM 0 HD11 ILE A 32 5.464 -8.531 -0.666 1.00 52.23 H new ATOM 0 HD12 ILE A 32 5.380 -6.939 -1.456 1.00 52.23 H new ATOM 0 HD13 ILE A 32 4.560 -8.339 -2.187 1.00 52.23 H new ATOM 550 N PHE A 33 9.211 -6.788 -6.167 1.00 52.31 N ATOM 551 CA PHE A 33 9.373 -6.283 -7.525 1.00 43.44 C ATOM 552 C PHE A 33 9.018 -7.355 -8.551 1.00 33.23 C ATOM 553 O PHE A 33 9.734 -8.345 -8.703 1.00 55.41 O ATOM 554 CB PHE A 33 10.810 -5.806 -7.747 1.00 24.15 C ATOM 555 CG PHE A 33 11.288 -4.837 -6.703 1.00 52.22 C ATOM 556 CD1 PHE A 33 10.445 -3.849 -6.220 1.00 4.44 C ATOM 557 CD2 PHE A 33 12.579 -4.914 -6.206 1.00 35.14 C ATOM 558 CE1 PHE A 33 10.883 -2.955 -5.260 1.00 74.01 C ATOM 559 CE2 PHE A 33 13.021 -4.024 -5.246 1.00 2.53 C ATOM 560 CZ PHE A 33 12.172 -3.043 -4.772 1.00 35.33 C ATOM 0 H PHE A 33 9.946 -7.427 -5.864 1.00 52.31 H new ATOM 0 HA PHE A 33 8.693 -5.441 -7.655 1.00 43.44 H new ATOM 0 HB2 PHE A 33 11.474 -6.671 -7.760 1.00 24.15 H new ATOM 0 HB3 PHE A 33 10.881 -5.335 -8.728 1.00 24.15 H new ATOM 0 HD1 PHE A 33 9.436 -3.776 -6.597 1.00 4.44 H new ATOM 0 HD2 PHE A 33 13.248 -5.679 -6.573 1.00 35.14 H new ATOM 0 HE1 PHE A 33 10.217 -2.188 -4.892 1.00 74.01 H new ATOM 0 HE2 PHE A 33 14.030 -4.095 -4.867 1.00 2.53 H new ATOM 0 HZ PHE A 33 12.515 -2.346 -4.022 1.00 35.33 H new ATOM 570 N MET A 34 7.907 -7.151 -9.251 1.00 34.13 N ATOM 571 CA MET A 34 7.456 -8.100 -10.262 1.00 72.01 C ATOM 572 C MET A 34 8.158 -7.850 -11.593 1.00 71.31 C ATOM 573 O MET A 34 8.264 -6.710 -12.046 1.00 73.42 O ATOM 574 CB MET A 34 5.940 -8.001 -10.445 1.00 62.33 C ATOM 575 CG MET A 34 5.276 -9.336 -10.741 1.00 35.01 C ATOM 576 SD MET A 34 3.475 -9.236 -10.718 1.00 4.21 S ATOM 577 CE MET A 34 3.167 -9.086 -8.960 1.00 1.40 C ATOM 0 H MET A 34 7.303 -6.337 -9.137 1.00 34.13 H new ATOM 0 HA MET A 34 7.709 -9.104 -9.921 1.00 72.01 H new ATOM 0 HB2 MET A 34 5.500 -7.578 -9.542 1.00 62.33 H new ATOM 0 HB3 MET A 34 5.725 -7.309 -11.259 1.00 62.33 H new ATOM 0 HG2 MET A 34 5.604 -9.692 -11.718 1.00 35.01 H new ATOM 0 HG3 MET A 34 5.605 -10.072 -10.007 1.00 35.01 H new ATOM 0 HE1 MET A 34 2.221 -8.570 -8.799 1.00 1.40 H new ATOM 0 HE2 MET A 34 3.119 -10.079 -8.513 1.00 1.40 H new ATOM 0 HE3 MET A 34 3.973 -8.518 -8.497 1.00 1.40 H new ATOM 587 N PHE A 35 8.636 -8.923 -12.215 1.00 4.10 N ATOM 588 CA PHE A 35 9.330 -8.819 -13.494 1.00 33.43 C ATOM 589 C PHE A 35 8.879 -9.922 -14.447 1.00 64.33 C ATOM 590 O PHE A 35 8.944 -11.106 -14.118 1.00 25.03 O ATOM 591 CB PHE A 35 10.843 -8.897 -13.285 1.00 5.21 C ATOM 592 CG PHE A 35 11.313 -10.236 -12.794 1.00 62.44 C ATOM 593 CD1 PHE A 35 11.008 -10.666 -11.513 1.00 3.42 C ATOM 594 CD2 PHE A 35 12.060 -11.066 -13.615 1.00 23.32 C ATOM 595 CE1 PHE A 35 11.439 -11.898 -11.058 1.00 53.03 C ATOM 596 CE2 PHE A 35 12.493 -12.300 -13.166 1.00 1.20 C ATOM 597 CZ PHE A 35 12.183 -12.716 -11.886 1.00 10.42 C ATOM 0 H PHE A 35 8.556 -9.874 -11.855 1.00 4.10 H new ATOM 0 HA PHE A 35 9.081 -7.855 -13.938 1.00 33.43 H new ATOM 0 HB2 PHE A 35 11.344 -8.668 -14.226 1.00 5.21 H new ATOM 0 HB3 PHE A 35 11.143 -8.131 -12.570 1.00 5.21 H new ATOM 0 HD1 PHE A 35 10.426 -10.031 -10.862 1.00 3.42 H new ATOM 0 HD2 PHE A 35 12.307 -10.745 -14.616 1.00 23.32 H new ATOM 0 HE1 PHE A 35 11.194 -12.221 -10.057 1.00 53.03 H new ATOM 0 HE2 PHE A 35 13.073 -12.938 -13.816 1.00 1.20 H new ATOM 0 HZ PHE A 35 12.522 -13.679 -11.533 1.00 10.42 H new ATOM 607 N GLU A 36 8.422 -9.524 -15.630 1.00 44.53 N ATOM 608 CA GLU A 36 7.960 -10.478 -16.631 1.00 51.10 C ATOM 609 C GLU A 36 9.025 -10.705 -17.700 1.00 2.41 C ATOM 610 O GLU A 36 8.941 -11.649 -18.486 1.00 2.53 O ATOM 611 CB GLU A 36 6.667 -9.982 -17.281 1.00 74.34 C ATOM 612 CG GLU A 36 6.834 -8.689 -18.062 1.00 24.35 C ATOM 613 CD GLU A 36 6.659 -8.882 -19.555 1.00 72.33 C ATOM 614 OE1 GLU A 36 7.253 -9.833 -20.105 1.00 51.12 O ATOM 615 OE2 GLU A 36 5.926 -8.082 -20.174 1.00 44.12 O ATOM 0 H GLU A 36 8.362 -8.548 -15.919 1.00 44.53 H new ATOM 0 HA GLU A 36 7.766 -11.426 -16.130 1.00 51.10 H new ATOM 0 HB2 GLU A 36 6.288 -10.754 -17.950 1.00 74.34 H new ATOM 0 HB3 GLU A 36 5.915 -9.834 -16.506 1.00 74.34 H new ATOM 0 HG2 GLU A 36 6.108 -7.958 -17.707 1.00 24.35 H new ATOM 0 HG3 GLU A 36 7.824 -8.276 -17.866 1.00 24.35 H new ATOM 688 N ASN A 42 19.181 -8.766 -13.875 1.00 72.13 N ATOM 689 CA ASN A 42 19.001 -7.350 -13.576 1.00 64.11 C ATOM 690 C ASN A 42 18.240 -7.163 -12.267 1.00 51.24 C ATOM 691 O ASN A 42 18.386 -6.143 -11.593 1.00 41.11 O ATOM 692 CB ASN A 42 18.254 -6.657 -14.717 1.00 45.04 C ATOM 693 CG ASN A 42 19.185 -5.881 -15.630 1.00 75.10 C ATOM 694 OD1 ASN A 42 20.211 -5.361 -15.192 1.00 20.40 O ATOM 695 ND2 ASN A 42 18.828 -5.799 -16.907 1.00 21.34 N ATOM 0 HA ASN A 42 19.987 -6.898 -13.470 1.00 64.11 H new ATOM 0 HB2 ASN A 42 17.715 -7.403 -15.301 1.00 45.04 H new ATOM 0 HB3 ASN A 42 17.509 -5.979 -14.301 1.00 45.04 H new ATOM 0 HD21 ASN A 42 19.414 -5.289 -17.569 1.00 21.34 H new ATOM 0 HD22 ASN A 42 17.968 -6.246 -17.226 1.00 21.34 H new ATOM 702 N ILE A 43 17.428 -8.154 -11.915 1.00 2.24 N ATOM 703 CA ILE A 43 16.645 -8.099 -10.686 1.00 44.03 C ATOM 704 C ILE A 43 17.528 -7.774 -9.486 1.00 22.51 C ATOM 705 O ILE A 43 17.310 -6.797 -8.770 1.00 45.20 O ATOM 706 CB ILE A 43 15.913 -9.428 -10.426 1.00 34.31 C ATOM 707 CG1 ILE A 43 14.552 -9.431 -11.125 1.00 72.13 C ATOM 708 CG2 ILE A 43 15.746 -9.658 -8.931 1.00 44.51 C ATOM 709 CD1 ILE A 43 13.589 -8.400 -10.579 1.00 23.02 C ATOM 0 H ILE A 43 17.295 -9.004 -12.463 1.00 2.24 H new ATOM 0 HA ILE A 43 15.908 -7.307 -10.816 1.00 44.03 H new ATOM 0 HB ILE A 43 16.513 -10.241 -10.834 1.00 34.31 H new ATOM 0 HG12 ILE A 43 14.699 -9.251 -12.190 1.00 72.13 H new ATOM 0 HG13 ILE A 43 14.105 -10.421 -11.028 1.00 72.13 H new ATOM 0 HG21 ILE A 43 15.227 -10.602 -8.764 1.00 44.51 H new ATOM 0 HG22 ILE A 43 16.727 -9.695 -8.457 1.00 44.51 H new ATOM 0 HG23 ILE A 43 15.165 -8.843 -8.500 1.00 44.51 H new ATOM 0 HD11 ILE A 43 12.646 -8.460 -11.122 1.00 23.02 H new ATOM 0 HD12 ILE A 43 13.412 -8.592 -9.521 1.00 23.02 H new ATOM 0 HD13 ILE A 43 14.015 -7.404 -10.700 1.00 23.02 H new ATOM 721 N PRO A 44 18.551 -8.612 -9.260 1.00 32.42 N ATOM 722 CA PRO A 44 19.489 -8.434 -8.148 1.00 23.21 C ATOM 723 C PRO A 44 20.396 -7.224 -8.343 1.00 41.10 C ATOM 724 O PRO A 44 21.013 -6.738 -7.395 1.00 25.10 O ATOM 725 CB PRO A 44 20.310 -9.726 -8.166 1.00 43.00 C ATOM 726 CG PRO A 44 20.228 -10.207 -9.574 1.00 23.14 C ATOM 727 CD PRO A 44 18.870 -9.798 -10.073 1.00 20.14 C ATOM 0 HA PRO A 44 18.973 -8.254 -7.205 1.00 23.21 H new ATOM 0 HB2 PRO A 44 21.343 -9.543 -7.870 1.00 43.00 H new ATOM 0 HB3 PRO A 44 19.905 -10.462 -7.472 1.00 43.00 H new ATOM 0 HG2 PRO A 44 21.017 -9.766 -10.184 1.00 23.14 H new ATOM 0 HG3 PRO A 44 20.353 -11.289 -9.625 1.00 23.14 H new ATOM 0 HD2 PRO A 44 18.887 -9.563 -11.137 1.00 20.14 H new ATOM 0 HD3 PRO A 44 18.135 -10.591 -9.933 1.00 20.14 H new ATOM 735 N LYS A 45 20.472 -6.740 -9.578 1.00 61.43 N ATOM 736 CA LYS A 45 21.302 -5.585 -9.899 1.00 21.24 C ATOM 737 C LYS A 45 20.656 -4.296 -9.401 1.00 71.21 C ATOM 738 O LYS A 45 21.347 -3.350 -9.024 1.00 12.04 O ATOM 739 CB LYS A 45 21.535 -5.502 -11.409 1.00 11.31 C ATOM 740 CG LYS A 45 22.901 -4.953 -11.784 1.00 74.03 C ATOM 741 CD LYS A 45 22.786 -3.786 -12.751 1.00 62.31 C ATOM 742 CE LYS A 45 24.089 -3.555 -13.502 1.00 13.23 C ATOM 743 NZ LYS A 45 25.181 -3.108 -12.593 1.00 54.31 N ATOM 0 H LYS A 45 19.968 -7.130 -10.374 1.00 61.43 H new ATOM 0 HA LYS A 45 22.261 -5.707 -9.396 1.00 21.24 H new ATOM 0 HB2 LYS A 45 21.421 -6.496 -11.841 1.00 11.31 H new ATOM 0 HB3 LYS A 45 20.765 -4.871 -11.853 1.00 11.31 H new ATOM 0 HG2 LYS A 45 23.424 -4.631 -10.884 1.00 74.03 H new ATOM 0 HG3 LYS A 45 23.501 -5.743 -12.236 1.00 74.03 H new ATOM 0 HD2 LYS A 45 21.984 -3.980 -13.463 1.00 62.31 H new ATOM 0 HD3 LYS A 45 22.515 -2.883 -12.203 1.00 62.31 H new ATOM 0 HE2 LYS A 45 24.388 -4.476 -14.003 1.00 13.23 H new ATOM 0 HE3 LYS A 45 23.933 -2.806 -14.278 1.00 13.23 H new ATOM 0 HZ1 LYS A 45 26.052 -2.961 -13.142 1.00 54.31 H new ATOM 0 HZ2 LYS A 45 24.907 -2.216 -12.134 1.00 54.31 H new ATOM 0 HZ3 LYS A 45 25.348 -3.834 -11.867 1.00 54.31 H new ATOM 757 N SER A 46 19.327 -4.267 -9.402 1.00 60.02 N ATOM 758 CA SER A 46 18.588 -3.093 -8.953 1.00 31.00 C ATOM 759 C SER A 46 18.761 -2.884 -7.452 1.00 13.04 C ATOM 760 O SER A 46 19.193 -1.821 -7.008 1.00 3.04 O ATOM 761 CB SER A 46 17.103 -3.239 -9.292 1.00 1.34 C ATOM 762 OG SER A 46 16.896 -4.265 -10.246 1.00 60.32 O ATOM 0 H SER A 46 18.740 -5.043 -9.709 1.00 60.02 H new ATOM 0 HA SER A 46 18.988 -2.222 -9.472 1.00 31.00 H new ATOM 0 HB2 SER A 46 16.540 -3.462 -8.386 1.00 1.34 H new ATOM 0 HB3 SER A 46 16.721 -2.295 -9.680 1.00 1.34 H new ATOM 0 HG SER A 46 16.878 -5.134 -9.793 1.00 60.32 H new ATOM 768 N ALA A 47 18.419 -3.907 -6.675 1.00 11.10 N ATOM 769 CA ALA A 47 18.537 -3.837 -5.224 1.00 25.31 C ATOM 770 C ALA A 47 19.981 -3.584 -4.803 1.00 11.44 C ATOM 771 O ALA A 47 20.238 -3.065 -3.717 1.00 35.24 O ATOM 772 CB ALA A 47 18.018 -5.119 -4.590 1.00 21.22 C ATOM 0 H ALA A 47 18.058 -4.794 -7.027 1.00 11.10 H new ATOM 0 HA ALA A 47 17.932 -3.001 -4.875 1.00 25.31 H new ATOM 0 HB1 ALA A 47 18.112 -5.053 -3.506 1.00 21.22 H new ATOM 0 HB2 ALA A 47 16.970 -5.258 -4.855 1.00 21.22 H new ATOM 0 HB3 ALA A 47 18.600 -5.966 -4.954 1.00 21.22 H new ATOM 778 N GLU A 48 20.919 -3.953 -5.669 1.00 21.21 N ATOM 779 CA GLU A 48 22.337 -3.766 -5.384 1.00 60.42 C ATOM 780 C GLU A 48 22.739 -2.305 -5.560 1.00 2.11 C ATOM 781 O GLU A 48 23.698 -1.835 -4.947 1.00 65.43 O ATOM 782 CB GLU A 48 23.185 -4.653 -6.298 1.00 73.54 C ATOM 783 CG GLU A 48 24.631 -4.782 -5.851 1.00 43.44 C ATOM 784 CD GLU A 48 25.609 -4.239 -6.876 1.00 13.22 C ATOM 785 OE1 GLU A 48 25.545 -4.675 -8.044 1.00 45.14 O ATOM 786 OE2 GLU A 48 26.436 -3.379 -6.509 1.00 44.34 O ATOM 0 H GLU A 48 20.723 -4.383 -6.573 1.00 21.21 H new ATOM 0 HA GLU A 48 22.514 -4.051 -4.347 1.00 60.42 H new ATOM 0 HB2 GLU A 48 22.738 -5.646 -6.343 1.00 73.54 H new ATOM 0 HB3 GLU A 48 23.161 -4.246 -7.309 1.00 73.54 H new ATOM 0 HG2 GLU A 48 24.765 -4.250 -4.909 1.00 43.44 H new ATOM 0 HG3 GLU A 48 24.856 -5.831 -5.660 1.00 43.44 H new ATOM 793 N PHE A 49 21.999 -1.591 -6.401 1.00 41.35 N ATOM 794 CA PHE A 49 22.279 -0.183 -6.660 1.00 34.01 C ATOM 795 C PHE A 49 22.243 0.625 -5.366 1.00 61.00 C ATOM 796 O PHE A 49 22.838 1.699 -5.276 1.00 44.12 O ATOM 797 CB PHE A 49 21.267 0.385 -7.657 1.00 74.01 C ATOM 798 CG PHE A 49 21.901 1.130 -8.797 1.00 21.42 C ATOM 799 CD1 PHE A 49 22.340 2.433 -8.631 1.00 4.22 C ATOM 800 CD2 PHE A 49 22.059 0.526 -10.034 1.00 31.22 C ATOM 801 CE1 PHE A 49 22.924 3.121 -9.678 1.00 71.32 C ATOM 802 CE2 PHE A 49 22.642 1.208 -11.085 1.00 1.32 C ATOM 803 CZ PHE A 49 23.076 2.507 -10.906 1.00 41.13 C ATOM 0 H PHE A 49 21.201 -1.964 -6.915 1.00 41.35 H new ATOM 0 HA PHE A 49 23.279 -0.109 -7.086 1.00 34.01 H new ATOM 0 HB2 PHE A 49 20.666 -0.431 -8.057 1.00 74.01 H new ATOM 0 HB3 PHE A 49 20.586 1.054 -7.130 1.00 74.01 H new ATOM 0 HD1 PHE A 49 22.225 2.917 -7.672 1.00 4.22 H new ATOM 0 HD2 PHE A 49 21.722 -0.490 -10.178 1.00 31.22 H new ATOM 0 HE1 PHE A 49 23.261 4.137 -9.536 1.00 71.32 H new ATOM 0 HE2 PHE A 49 22.758 0.726 -12.045 1.00 1.32 H new ATOM 0 HZ PHE A 49 23.534 3.042 -11.725 1.00 41.13 H new ATOM 813 N ILE A 50 21.541 0.101 -4.367 1.00 71.33 N ATOM 814 CA ILE A 50 21.428 0.772 -3.079 1.00 12.34 C ATOM 815 C ILE A 50 22.660 0.519 -2.217 1.00 1.12 C ATOM 816 O ILE A 50 23.460 1.424 -1.981 1.00 24.31 O ATOM 817 CB ILE A 50 20.175 0.311 -2.311 1.00 71.41 C ATOM 818 CG1 ILE A 50 18.935 0.423 -3.201 1.00 21.13 C ATOM 819 CG2 ILE A 50 19.999 1.131 -1.042 1.00 30.10 C ATOM 820 CD1 ILE A 50 18.582 1.847 -3.568 1.00 43.15 C ATOM 0 H ILE A 50 21.042 -0.787 -4.425 1.00 71.33 H new ATOM 0 HA ILE A 50 21.345 1.839 -3.286 1.00 12.34 H new ATOM 0 HB ILE A 50 20.304 -0.734 -2.029 1.00 71.41 H new ATOM 0 HG12 ILE A 50 19.100 -0.149 -4.114 1.00 21.13 H new ATOM 0 HG13 ILE A 50 18.088 -0.032 -2.689 1.00 21.13 H new ATOM 0 HG21 ILE A 50 19.109 0.793 -0.511 1.00 30.10 H new ATOM 0 HG22 ILE A 50 20.873 1.005 -0.403 1.00 30.10 H new ATOM 0 HG23 ILE A 50 19.888 2.184 -1.302 1.00 30.10 H new ATOM 0 HD11 ILE A 50 17.694 1.850 -4.199 1.00 43.15 H new ATOM 0 HD12 ILE A 50 18.385 2.418 -2.661 1.00 43.15 H new ATOM 0 HD13 ILE A 50 19.413 2.300 -4.109 1.00 43.15 H new ATOM 832 N GLN A 51 22.806 -0.717 -1.751 1.00 62.35 N ATOM 833 CA GLN A 51 23.942 -1.090 -0.917 1.00 2.43 C ATOM 834 C GLN A 51 24.441 -2.488 -1.267 1.00 54.45 C ATOM 835 O GLN A 51 23.662 -3.440 -1.320 1.00 42.21 O ATOM 836 CB GLN A 51 23.557 -1.029 0.562 1.00 12.14 C ATOM 837 CG GLN A 51 24.533 -0.233 1.413 1.00 21.04 C ATOM 838 CD GLN A 51 23.993 1.129 1.801 1.00 10.33 C ATOM 839 OE1 GLN A 51 23.718 1.390 2.973 1.00 52.31 O ATOM 840 NE2 GLN A 51 23.838 2.007 0.817 1.00 3.32 N ATOM 0 H GLN A 51 22.152 -1.477 -1.937 1.00 62.35 H new ATOM 0 HA GLN A 51 24.747 -0.380 -1.106 1.00 2.43 H new ATOM 0 HB2 GLN A 51 22.565 -0.587 0.653 1.00 12.14 H new ATOM 0 HB3 GLN A 51 23.491 -2.044 0.954 1.00 12.14 H new ATOM 0 HG2 GLN A 51 24.766 -0.798 2.316 1.00 21.04 H new ATOM 0 HG3 GLN A 51 25.467 -0.107 0.866 1.00 21.04 H new ATOM 0 HE21 GLN A 51 24.079 1.748 -0.140 1.00 3.32 H new ATOM 0 HE22 GLN A 51 23.478 2.940 1.018 1.00 3.32 H new ATOM 849 N SER A 52 25.743 -2.603 -1.507 1.00 71.52 N ATOM 850 CA SER A 52 26.345 -3.885 -1.857 1.00 53.34 C ATOM 851 C SER A 52 25.967 -4.958 -0.841 1.00 24.02 C ATOM 852 O SER A 52 25.834 -6.134 -1.182 1.00 11.44 O ATOM 853 CB SER A 52 27.867 -3.753 -1.936 1.00 11.24 C ATOM 854 OG SER A 52 28.397 -3.234 -0.728 1.00 35.01 O ATOM 0 H SER A 52 26.401 -1.825 -1.466 1.00 71.52 H new ATOM 0 HA SER A 52 25.963 -4.184 -2.833 1.00 53.34 H new ATOM 0 HB2 SER A 52 28.310 -4.728 -2.142 1.00 11.24 H new ATOM 0 HB3 SER A 52 28.136 -3.099 -2.766 1.00 11.24 H new ATOM 0 HG SER A 52 29.371 -3.161 -0.803 1.00 35.01 H new ATOM 860 N LYS A 53 25.797 -4.545 0.410 1.00 12.24 N ATOM 861 CA LYS A 53 25.434 -5.468 1.479 1.00 73.32 C ATOM 862 C LYS A 53 24.223 -4.956 2.252 1.00 34.51 C ATOM 863 O LYS A 53 24.165 -5.064 3.476 1.00 12.13 O ATOM 864 CB LYS A 53 26.614 -5.667 2.432 1.00 1.03 C ATOM 865 CG LYS A 53 26.579 -6.991 3.176 1.00 11.32 C ATOM 866 CD LYS A 53 27.588 -7.976 2.610 1.00 52.33 C ATOM 867 CE LYS A 53 28.187 -8.849 3.701 1.00 23.21 C ATOM 868 NZ LYS A 53 29.665 -8.973 3.563 1.00 11.15 N ATOM 0 H LYS A 53 25.905 -3.576 0.709 1.00 12.24 H new ATOM 0 HA LYS A 53 25.176 -6.425 1.026 1.00 73.32 H new ATOM 0 HB2 LYS A 53 27.543 -5.603 1.865 1.00 1.03 H new ATOM 0 HB3 LYS A 53 26.626 -4.853 3.157 1.00 1.03 H new ATOM 0 HG2 LYS A 53 26.788 -6.821 4.232 1.00 11.32 H new ATOM 0 HG3 LYS A 53 25.578 -7.418 3.114 1.00 11.32 H new ATOM 0 HD2 LYS A 53 27.104 -8.606 1.863 1.00 52.33 H new ATOM 0 HD3 LYS A 53 28.383 -7.432 2.101 1.00 52.33 H new ATOM 0 HE2 LYS A 53 27.948 -8.426 4.677 1.00 23.21 H new ATOM 0 HE3 LYS A 53 27.734 -9.840 3.663 1.00 23.21 H new ATOM 0 HZ1 LYS A 53 30.035 -9.576 4.325 1.00 11.15 H new ATOM 0 HZ2 LYS A 53 29.893 -9.400 2.642 1.00 11.15 H new ATOM 0 HZ3 LYS A 53 30.100 -8.030 3.625 1.00 11.15 H new ATOM 882 N GLY A 54 23.256 -4.400 1.528 1.00 35.44 N ATOM 883 CA GLY A 54 22.058 -3.882 2.164 1.00 43.13 C ATOM 884 C GLY A 54 20.789 -4.452 1.562 1.00 22.10 C ATOM 885 O GLY A 54 19.695 -4.238 2.085 1.00 51.25 O ATOM 0 H GLY A 54 23.281 -4.299 0.513 1.00 35.44 H new ATOM 0 HA2 GLY A 54 22.087 -4.113 3.229 1.00 43.13 H new ATOM 0 HA3 GLY A 54 22.043 -2.796 2.074 1.00 43.13 H new ATOM 889 N HIS A 55 20.934 -5.179 0.459 1.00 60.41 N ATOM 890 CA HIS A 55 19.789 -5.781 -0.216 1.00 24.54 C ATOM 891 C HIS A 55 19.823 -7.302 -0.091 1.00 45.23 C ATOM 892 O HIS A 55 20.755 -7.951 -0.565 1.00 61.20 O ATOM 893 CB HIS A 55 19.770 -5.379 -1.691 1.00 22.04 C ATOM 894 CG HIS A 55 20.900 -5.959 -2.484 1.00 44.53 C ATOM 895 ND1 HIS A 55 22.219 -5.607 -2.284 1.00 33.43 N ATOM 896 CD2 HIS A 55 20.904 -6.872 -3.484 1.00 13.54 C ATOM 897 CE1 HIS A 55 22.984 -6.278 -3.126 1.00 52.03 C ATOM 898 NE2 HIS A 55 22.210 -7.053 -3.865 1.00 42.44 N ATOM 0 H HIS A 55 21.832 -5.366 0.013 1.00 60.41 H new ATOM 0 HA HIS A 55 18.882 -5.415 0.264 1.00 24.54 H new ATOM 0 HB2 HIS A 55 18.826 -5.696 -2.134 1.00 22.04 H new ATOM 0 HB3 HIS A 55 19.806 -4.292 -1.763 1.00 22.04 H new ATOM 0 HD1 HIS A 55 22.551 -4.934 -1.594 1.00 33.43 H new ATOM 0 HD2 HIS A 55 20.040 -7.366 -3.904 1.00 13.54 H new ATOM 0 HE1 HIS A 55 24.059 -6.206 -3.198 1.00 52.03 H new ATOM 906 N GLU A 56 18.802 -7.861 0.549 1.00 30.54 N ATOM 907 CA GLU A 56 18.717 -9.305 0.737 1.00 62.12 C ATOM 908 C GLU A 56 17.390 -9.845 0.212 1.00 50.13 C ATOM 909 O GLU A 56 16.319 -9.446 0.671 1.00 10.22 O ATOM 910 CB GLU A 56 18.875 -9.660 2.217 1.00 51.32 C ATOM 911 CG GLU A 56 19.898 -10.753 2.475 1.00 2.21 C ATOM 912 CD GLU A 56 19.260 -12.112 2.684 1.00 74.21 C ATOM 913 OE1 GLU A 56 18.860 -12.740 1.681 1.00 40.44 O ATOM 914 OE2 GLU A 56 19.159 -12.548 3.849 1.00 22.55 O ATOM 0 H GLU A 56 18.022 -7.337 0.946 1.00 30.54 H new ATOM 0 HA GLU A 56 19.527 -9.767 0.172 1.00 62.12 H new ATOM 0 HB2 GLU A 56 19.165 -8.765 2.768 1.00 51.32 H new ATOM 0 HB3 GLU A 56 17.909 -9.977 2.611 1.00 51.32 H new ATOM 0 HG2 GLU A 56 20.588 -10.806 1.633 1.00 2.21 H new ATOM 0 HG3 GLU A 56 20.487 -10.493 3.354 1.00 2.21 H new ATOM 921 N LEU A 57 17.468 -10.754 -0.754 1.00 4.13 N ATOM 922 CA LEU A 57 16.274 -11.349 -1.343 1.00 31.21 C ATOM 923 C LEU A 57 15.785 -12.529 -0.508 1.00 51.43 C ATOM 924 O LEU A 57 16.344 -13.624 -0.575 1.00 31.23 O ATOM 925 CB LEU A 57 16.561 -11.807 -2.774 1.00 40.31 C ATOM 926 CG LEU A 57 16.894 -10.702 -3.778 1.00 32.32 C ATOM 927 CD1 LEU A 57 15.918 -9.544 -3.640 1.00 4.35 C ATOM 928 CD2 LEU A 57 18.325 -10.222 -3.588 1.00 23.34 C ATOM 0 H LEU A 57 18.346 -11.095 -1.146 1.00 4.13 H new ATOM 0 HA LEU A 57 15.491 -10.591 -1.361 1.00 31.21 H new ATOM 0 HB2 LEU A 57 17.393 -12.511 -2.749 1.00 40.31 H new ATOM 0 HB3 LEU A 57 15.692 -12.354 -3.140 1.00 40.31 H new ATOM 0 HG LEU A 57 16.800 -11.111 -4.784 1.00 32.32 H new ATOM 0 HD11 LEU A 57 16.170 -8.767 -4.362 1.00 4.35 H new ATOM 0 HD12 LEU A 57 14.904 -9.898 -3.827 1.00 4.35 H new ATOM 0 HD13 LEU A 57 15.979 -9.135 -2.631 1.00 4.35 H new ATOM 0 HD21 LEU A 57 18.544 -9.436 -4.311 1.00 23.34 H new ATOM 0 HD22 LEU A 57 18.446 -9.830 -2.578 1.00 23.34 H new ATOM 0 HD23 LEU A 57 19.011 -11.055 -3.739 1.00 23.34 H new ATOM 940 N LEU A 58 14.737 -12.298 0.275 1.00 4.14 N ATOM 941 CA LEU A 58 14.171 -13.342 1.122 1.00 74.11 C ATOM 942 C LEU A 58 13.837 -14.585 0.304 1.00 61.44 C ATOM 943 O LEU A 58 14.189 -15.702 0.681 1.00 1.15 O ATOM 944 CB LEU A 58 12.913 -12.829 1.826 1.00 4.31 C ATOM 945 CG LEU A 58 12.955 -12.824 3.355 1.00 51.24 C ATOM 946 CD1 LEU A 58 12.106 -11.690 3.908 1.00 51.20 C ATOM 947 CD2 LEU A 58 12.485 -14.162 3.905 1.00 34.22 C ATOM 0 H LEU A 58 14.262 -11.398 0.341 1.00 4.14 H new ATOM 0 HA LEU A 58 14.916 -13.611 1.871 1.00 74.11 H new ATOM 0 HB2 LEU A 58 12.719 -11.812 1.484 1.00 4.31 H new ATOM 0 HB3 LEU A 58 12.068 -13.439 1.508 1.00 4.31 H new ATOM 0 HG LEU A 58 13.986 -12.666 3.671 1.00 51.24 H new ATOM 0 HD11 LEU A 58 12.148 -11.702 4.997 1.00 51.20 H new ATOM 0 HD12 LEU A 58 12.488 -10.737 3.541 1.00 51.20 H new ATOM 0 HD13 LEU A 58 11.073 -11.817 3.583 1.00 51.20 H new ATOM 0 HD21 LEU A 58 12.521 -14.141 4.994 1.00 34.22 H new ATOM 0 HD22 LEU A 58 11.462 -14.350 3.580 1.00 34.22 H new ATOM 0 HD23 LEU A 58 13.135 -14.956 3.536 1.00 34.22 H new ATOM 1088 N ASP A 67 6.034 -14.047 -15.291 1.00 23.34 N ATOM 1089 CA ASP A 67 6.292 -12.913 -14.410 1.00 74.44 C ATOM 1090 C ASP A 67 6.208 -13.332 -12.946 1.00 21.31 C ATOM 1091 O ASP A 67 5.141 -13.701 -12.456 1.00 11.14 O ATOM 1092 CB ASP A 67 5.295 -11.788 -14.689 1.00 55.43 C ATOM 1093 CG ASP A 67 3.876 -12.162 -14.307 1.00 22.41 C ATOM 1094 OD1 ASP A 67 3.202 -12.836 -15.114 1.00 51.23 O ATOM 1095 OD2 ASP A 67 3.441 -11.783 -13.200 1.00 33.11 O ATOM 0 HA ASP A 67 7.301 -12.552 -14.608 1.00 74.44 H new ATOM 0 HB2 ASP A 67 5.594 -10.897 -14.137 1.00 55.43 H new ATOM 0 HB3 ASP A 67 5.327 -11.532 -15.748 1.00 55.43 H new ATOM 1100 N TRP A 68 7.340 -13.274 -12.254 1.00 42.01 N ATOM 1101 CA TRP A 68 7.395 -13.649 -10.846 1.00 1.44 C ATOM 1102 C TRP A 68 7.569 -12.419 -9.962 1.00 12.45 C ATOM 1103 O TRP A 68 7.582 -11.288 -10.449 1.00 13.43 O ATOM 1104 CB TRP A 68 8.541 -14.632 -10.603 1.00 33.54 C ATOM 1105 CG TRP A 68 8.177 -15.750 -9.672 1.00 51.14 C ATOM 1106 CD1 TRP A 68 8.675 -15.968 -8.419 1.00 74.25 C ATOM 1107 CD2 TRP A 68 7.239 -16.802 -9.923 1.00 32.14 C ATOM 1108 NE1 TRP A 68 8.102 -17.093 -7.876 1.00 5.02 N ATOM 1109 CE2 TRP A 68 7.218 -17.622 -8.777 1.00 74.35 C ATOM 1110 CE3 TRP A 68 6.413 -17.130 -11.001 1.00 62.22 C ATOM 1111 CZ2 TRP A 68 6.404 -18.748 -8.684 1.00 22.42 C ATOM 1112 CZ3 TRP A 68 5.607 -18.248 -10.907 1.00 33.32 C ATOM 1113 CH2 TRP A 68 5.606 -19.046 -9.755 1.00 22.11 C ATOM 0 H TRP A 68 8.232 -12.971 -12.645 1.00 42.01 H new ATOM 0 HA TRP A 68 6.452 -14.130 -10.587 1.00 1.44 H new ATOM 0 HB2 TRP A 68 8.858 -15.052 -11.557 1.00 33.54 H new ATOM 0 HB3 TRP A 68 9.394 -14.091 -10.194 1.00 33.54 H new ATOM 0 HD1 TRP A 68 9.410 -15.348 -7.928 1.00 74.25 H new ATOM 0 HE1 TRP A 68 8.303 -17.472 -6.951 1.00 5.02 H new ATOM 0 HE3 TRP A 68 6.405 -16.520 -11.892 1.00 62.22 H new ATOM 0 HZ2 TRP A 68 6.403 -19.365 -7.797 1.00 22.42 H new ATOM 0 HZ3 TRP A 68 4.967 -18.512 -11.736 1.00 33.32 H new ATOM 0 HH2 TRP A 68 4.963 -19.913 -9.712 1.00 22.11 H new ATOM 1124 N THR A 69 7.703 -12.646 -8.658 1.00 54.54 N ATOM 1125 CA THR A 69 7.875 -11.556 -7.706 1.00 53.55 C ATOM 1126 C THR A 69 9.100 -11.781 -6.828 1.00 43.45 C ATOM 1127 O THR A 69 9.349 -12.895 -6.368 1.00 62.31 O ATOM 1128 CB THR A 69 6.635 -11.395 -6.806 1.00 40.34 C ATOM 1129 OG1 THR A 69 6.009 -12.666 -6.604 1.00 33.45 O ATOM 1130 CG2 THR A 69 5.639 -10.426 -7.426 1.00 32.15 C ATOM 0 H THR A 69 7.696 -13.575 -8.238 1.00 54.54 H new ATOM 0 HA THR A 69 8.012 -10.646 -8.290 1.00 53.55 H new ATOM 0 HB THR A 69 6.959 -10.993 -5.846 1.00 40.34 H new ATOM 0 HG1 THR A 69 5.223 -12.556 -6.030 1.00 33.45 H new ATOM 0 HG21 THR A 69 4.772 -10.328 -6.773 1.00 32.15 H new ATOM 0 HG22 THR A 69 6.110 -9.451 -7.552 1.00 32.15 H new ATOM 0 HG23 THR A 69 5.321 -10.804 -8.398 1.00 32.15 H new ATOM 1138 N ILE A 70 9.862 -10.716 -6.600 1.00 21.22 N ATOM 1139 CA ILE A 70 11.061 -10.799 -5.775 1.00 10.51 C ATOM 1140 C ILE A 70 10.976 -9.849 -4.585 1.00 51.51 C ATOM 1141 O ILE A 70 10.841 -8.636 -4.753 1.00 21.40 O ATOM 1142 CB ILE A 70 12.327 -10.472 -6.588 1.00 64.33 C ATOM 1143 CG1 ILE A 70 13.560 -10.487 -5.682 1.00 11.52 C ATOM 1144 CG2 ILE A 70 12.183 -9.122 -7.274 1.00 62.03 C ATOM 1145 CD1 ILE A 70 13.759 -11.797 -4.954 1.00 25.33 C ATOM 0 H ILE A 70 9.671 -9.787 -6.975 1.00 21.22 H new ATOM 0 HA ILE A 70 11.125 -11.826 -5.414 1.00 10.51 H new ATOM 0 HB ILE A 70 12.454 -11.235 -7.356 1.00 64.33 H new ATOM 0 HG12 ILE A 70 14.445 -10.277 -6.283 1.00 11.52 H new ATOM 0 HG13 ILE A 70 13.473 -9.684 -4.950 1.00 11.52 H new ATOM 0 HG21 ILE A 70 13.086 -8.906 -7.845 1.00 62.03 H new ATOM 0 HG22 ILE A 70 11.326 -9.145 -7.947 1.00 62.03 H new ATOM 0 HG23 ILE A 70 12.034 -8.346 -6.523 1.00 62.03 H new ATOM 0 HD11 ILE A 70 14.651 -11.735 -4.331 1.00 25.33 H new ATOM 0 HD12 ILE A 70 12.891 -12.000 -4.326 1.00 25.33 H new ATOM 0 HD13 ILE A 70 13.878 -12.602 -5.679 1.00 25.33 H new ATOM 1157 N VAL A 71 11.057 -10.407 -3.382 1.00 23.23 N ATOM 1158 CA VAL A 71 10.993 -9.610 -2.163 1.00 14.03 C ATOM 1159 C VAL A 71 12.384 -9.173 -1.717 1.00 74.03 C ATOM 1160 O VAL A 71 13.304 -9.986 -1.631 1.00 72.24 O ATOM 1161 CB VAL A 71 10.320 -10.390 -1.017 1.00 41.42 C ATOM 1162 CG1 VAL A 71 8.830 -10.544 -1.279 1.00 14.21 C ATOM 1163 CG2 VAL A 71 10.981 -11.748 -0.837 1.00 45.33 C ATOM 0 H VAL A 71 11.167 -11.409 -3.225 1.00 23.23 H new ATOM 0 HA VAL A 71 10.395 -8.728 -2.393 1.00 14.03 H new ATOM 0 HB VAL A 71 10.446 -9.825 -0.093 1.00 41.42 H new ATOM 0 HG11 VAL A 71 8.372 -11.097 -0.459 1.00 14.21 H new ATOM 0 HG12 VAL A 71 8.370 -9.559 -1.354 1.00 14.21 H new ATOM 0 HG13 VAL A 71 8.679 -11.087 -2.212 1.00 14.21 H new ATOM 0 HG21 VAL A 71 10.493 -12.285 -0.024 1.00 45.33 H new ATOM 0 HG22 VAL A 71 10.888 -12.323 -1.758 1.00 45.33 H new ATOM 0 HG23 VAL A 71 12.036 -11.611 -0.600 1.00 45.33 H new ATOM 1173 N VAL A 72 12.530 -7.883 -1.434 1.00 42.52 N ATOM 1174 CA VAL A 72 13.809 -7.337 -0.996 1.00 10.54 C ATOM 1175 C VAL A 72 13.685 -6.679 0.374 1.00 51.50 C ATOM 1176 O VAL A 72 12.847 -5.800 0.578 1.00 1.21 O ATOM 1177 CB VAL A 72 14.353 -6.305 -2.001 1.00 43.33 C ATOM 1178 CG1 VAL A 72 15.794 -5.946 -1.671 1.00 40.42 C ATOM 1179 CG2 VAL A 72 14.240 -6.835 -3.422 1.00 75.25 C ATOM 0 H VAL A 72 11.779 -7.196 -1.500 1.00 42.52 H new ATOM 0 HA VAL A 72 14.505 -8.173 -0.933 1.00 10.54 H new ATOM 0 HB VAL A 72 13.752 -5.399 -1.926 1.00 43.33 H new ATOM 0 HG11 VAL A 72 16.161 -5.216 -2.392 1.00 40.42 H new ATOM 0 HG12 VAL A 72 15.843 -5.522 -0.668 1.00 40.42 H new ATOM 0 HG13 VAL A 72 16.412 -6.843 -1.716 1.00 40.42 H new ATOM 0 HG21 VAL A 72 14.629 -6.093 -4.119 1.00 75.25 H new ATOM 0 HG22 VAL A 72 14.816 -7.756 -3.514 1.00 75.25 H new ATOM 0 HG23 VAL A 72 13.194 -7.037 -3.653 1.00 75.25 H new ATOM 1189 N ARG A 73 14.525 -7.109 1.310 1.00 73.34 N ATOM 1190 CA ARG A 73 14.509 -6.562 2.661 1.00 73.50 C ATOM 1191 C ARG A 73 15.638 -5.554 2.853 1.00 54.13 C ATOM 1192 O ARG A 73 16.812 -5.920 2.891 1.00 24.20 O ATOM 1193 CB ARG A 73 14.635 -7.687 3.691 1.00 54.14 C ATOM 1194 CG ARG A 73 15.815 -8.612 3.441 1.00 11.42 C ATOM 1195 CD ARG A 73 16.639 -8.816 4.703 1.00 52.11 C ATOM 1196 NE ARG A 73 15.945 -9.649 5.681 1.00 34.11 N ATOM 1197 CZ ARG A 73 15.776 -10.959 5.543 1.00 61.44 C ATOM 1198 NH1 ARG A 73 16.249 -11.583 4.472 1.00 4.44 N ATOM 1199 NH2 ARG A 73 15.133 -11.649 6.476 1.00 22.22 N ATOM 0 H ARG A 73 15.225 -7.835 1.157 1.00 73.34 H new ATOM 0 HA ARG A 73 13.558 -6.049 2.807 1.00 73.50 H new ATOM 0 HB2 ARG A 73 14.731 -7.249 4.685 1.00 54.14 H new ATOM 0 HB3 ARG A 73 13.717 -8.274 3.689 1.00 54.14 H new ATOM 0 HG2 ARG A 73 15.454 -9.575 3.081 1.00 11.42 H new ATOM 0 HG3 ARG A 73 16.446 -8.195 2.656 1.00 11.42 H new ATOM 0 HD2 ARG A 73 17.591 -9.279 4.443 1.00 52.11 H new ATOM 0 HD3 ARG A 73 16.866 -7.847 5.148 1.00 52.11 H new ATOM 0 HE ARG A 73 15.569 -9.200 6.516 1.00 34.11 H new ATOM 0 HH11 ARG A 73 16.744 -11.057 3.752 1.00 4.44 H new ATOM 0 HH12 ARG A 73 16.118 -12.589 4.369 1.00 4.44 H new ATOM 0 HH21 ARG A 73 14.767 -11.173 7.301 1.00 22.22 H new ATOM 0 HH22 ARG A 73 15.004 -12.655 6.368 1.00 22.22 H new ATOM 1213 N LYS A 74 15.273 -4.282 2.972 1.00 3.32 N ATOM 1214 CA LYS A 74 16.254 -3.219 3.161 1.00 72.13 C ATOM 1215 C LYS A 74 16.978 -3.377 4.494 1.00 70.21 C ATOM 1216 O LYS A 74 16.443 -3.958 5.438 1.00 33.41 O ATOM 1217 CB LYS A 74 15.572 -1.851 3.098 1.00 53.41 C ATOM 1218 CG LYS A 74 15.455 -1.293 1.690 1.00 72.43 C ATOM 1219 CD LYS A 74 15.417 0.226 1.692 1.00 24.35 C ATOM 1220 CE LYS A 74 16.788 0.816 1.987 1.00 14.51 C ATOM 1221 NZ LYS A 74 17.810 0.365 1.002 1.00 15.43 N ATOM 0 H LYS A 74 14.305 -3.962 2.941 1.00 3.32 H new ATOM 0 HA LYS A 74 16.988 -3.290 2.359 1.00 72.13 H new ATOM 0 HB2 LYS A 74 14.575 -1.931 3.532 1.00 53.41 H new ATOM 0 HB3 LYS A 74 16.132 -1.147 3.713 1.00 53.41 H new ATOM 0 HG2 LYS A 74 16.299 -1.636 1.091 1.00 72.43 H new ATOM 0 HG3 LYS A 74 14.551 -1.680 1.219 1.00 72.43 H new ATOM 0 HD2 LYS A 74 15.066 0.584 0.724 1.00 24.35 H new ATOM 0 HD3 LYS A 74 14.702 0.572 2.438 1.00 24.35 H new ATOM 0 HE2 LYS A 74 16.726 1.904 1.973 1.00 14.51 H new ATOM 0 HE3 LYS A 74 17.099 0.527 2.991 1.00 14.51 H new ATOM 0 HZ1 LYS A 74 18.666 0.948 1.098 1.00 15.43 H new ATOM 0 HZ2 LYS A 74 18.049 -0.631 1.181 1.00 15.43 H new ATOM 0 HZ3 LYS A 74 17.430 0.462 0.039 1.00 15.43 H new ATOM 1235 N LYS A 75 18.198 -2.855 4.565 1.00 72.21 N ATOM 1236 CA LYS A 75 18.995 -2.935 5.783 1.00 61.40 C ATOM 1237 C LYS A 75 20.342 -2.244 5.598 1.00 0.32 C ATOM 1238 O LYS A 75 20.631 -1.702 4.532 1.00 70.34 O ATOM 1239 CB LYS A 75 19.211 -4.397 6.181 1.00 71.45 C ATOM 1240 CG LYS A 75 18.611 -4.756 7.529 1.00 5.33 C ATOM 1241 CD LYS A 75 19.522 -5.685 8.315 1.00 52.30 C ATOM 1242 CE LYS A 75 20.026 -5.025 9.589 1.00 0.42 C ATOM 1243 NZ LYS A 75 19.025 -5.105 10.689 1.00 41.31 N ATOM 0 H LYS A 75 18.656 -2.372 3.793 1.00 72.21 H new ATOM 0 HA LYS A 75 18.450 -2.425 6.578 1.00 61.40 H new ATOM 0 HB2 LYS A 75 18.776 -5.041 5.416 1.00 71.45 H new ATOM 0 HB3 LYS A 75 20.281 -4.605 6.202 1.00 71.45 H new ATOM 0 HG2 LYS A 75 18.434 -3.847 8.103 1.00 5.33 H new ATOM 0 HG3 LYS A 75 17.642 -5.234 7.382 1.00 5.33 H new ATOM 0 HD2 LYS A 75 18.983 -6.598 8.566 1.00 52.30 H new ATOM 0 HD3 LYS A 75 20.370 -5.976 7.695 1.00 52.30 H new ATOM 0 HE2 LYS A 75 20.952 -5.505 9.905 1.00 0.42 H new ATOM 0 HE3 LYS A 75 20.262 -3.980 9.388 1.00 0.42 H new ATOM 0 HZ1 LYS A 75 19.406 -4.644 11.540 1.00 41.31 H new ATOM 0 HZ2 LYS A 75 18.150 -4.624 10.398 1.00 41.31 H new ATOM 0 HZ3 LYS A 75 18.819 -6.103 10.899 1.00 41.31 H new