USER MOD reduce.3.24.130724 H: found=0, std=0, add=166, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 166 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 LYS NZ :NH3+ 156:sc= -0.206 (180deg=-0.0378) USER MOD Set 1.2: A 19 LYS NZ :NH3+ -178:sc= -0.945 (180deg=-0.996) USER MOD Single : A 1 ILE N :NH3+ -143:sc= -0.405 (180deg=-1.81!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 14.659 4.335 3.872 1.00 0.00 N ATOM 2 CA ILE A 1 15.385 3.183 3.275 1.00 0.00 C ATOM 3 C ILE A 1 14.628 2.616 2.079 1.00 0.00 C ATOM 4 O ILE A 1 13.427 2.841 1.929 1.00 0.00 O ATOM 5 CB ILE A 1 15.600 2.055 4.306 1.00 0.00 C ATOM 6 CG1 ILE A 1 16.093 2.629 5.638 1.00 0.00 C ATOM 7 CG2 ILE A 1 16.586 1.028 3.770 1.00 0.00 C ATOM 8 CD1 ILE A 1 15.227 2.244 6.818 1.00 0.00 C ATOM 0 H1 ILE A 1 15.344 5.050 4.190 1.00 0.00 H new ATOM 0 H2 ILE A 1 14.027 4.754 3.160 1.00 0.00 H new ATOM 0 H3 ILE A 1 14.097 4.008 4.684 1.00 0.00 H new ATOM 0 HA ILE A 1 16.354 3.559 2.948 1.00 0.00 H new ATOM 0 HB ILE A 1 14.645 1.560 4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 1 17.112 2.286 5.818 1.00 0.00 H new ATOM 0 HG13 ILE A 1 16.131 3.716 5.564 1.00 0.00 H new ATOM 0 HG21 ILE A 1 16.727 0.239 4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 1 16.197 0.596 2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 1 17.542 1.512 3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 1 15.635 2.685 7.728 1.00 0.00 H new ATOM 0 HD12 ILE A 1 14.213 2.611 6.660 1.00 0.00 H new ATOM 0 HD13 ILE A 1 15.209 1.159 6.917 1.00 0.00 H new ATOM 22 N ILE A 2 15.338 1.878 1.232 1.00 0.00 N ATOM 23 CA ILE A 2 14.736 1.276 0.047 1.00 0.00 C ATOM 24 C ILE A 2 14.138 -0.092 0.366 1.00 0.00 C ATOM 25 O ILE A 2 14.810 -1.116 0.244 1.00 0.00 O ATOM 26 CB ILE A 2 15.770 1.116 -1.084 1.00 0.00 C ATOM 27 CG1 ILE A 2 16.990 0.335 -0.587 1.00 0.00 C ATOM 28 CG2 ILE A 2 16.185 2.479 -1.619 1.00 0.00 C ATOM 29 CD1 ILE A 2 17.247 -0.941 -1.359 1.00 0.00 C ATOM 0 H ILE A 2 16.333 1.682 1.344 1.00 0.00 H new ATOM 0 HA ILE A 2 13.944 1.949 -0.282 1.00 0.00 H new ATOM 0 HB ILE A 2 15.312 0.553 -1.897 1.00 0.00 H new ATOM 0 HG12 ILE A 2 17.871 0.973 -0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.851 0.091 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 2 16.916 2.349 -2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 2 15.310 2.999 -2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 2 16.627 3.066 -0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 2 18.126 -1.442 -0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 2 16.382 -1.599 -1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 2 17.419 -0.703 -2.409 1.00 0.00 H new ATOM 41 N GLY A 3 12.872 -0.104 0.772 1.00 0.00 N ATOM 42 CA GLY A 3 12.214 -1.356 1.099 1.00 0.00 C ATOM 43 C GLY A 3 10.825 -1.156 1.679 1.00 0.00 C ATOM 44 O GLY A 3 9.866 -1.779 1.224 1.00 0.00 O ATOM 0 H GLY A 3 12.292 0.728 0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 3 12.143 -1.969 0.201 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.825 -1.907 1.814 1.00 0.00 H new ATOM 48 N PRO A 4 10.685 -0.289 2.698 1.00 0.00 N ATOM 49 CA PRO A 4 9.391 -0.022 3.338 1.00 0.00 C ATOM 50 C PRO A 4 8.354 0.533 2.369 1.00 0.00 C ATOM 51 O PRO A 4 7.160 0.552 2.668 1.00 0.00 O ATOM 52 CB PRO A 4 9.722 1.014 4.419 1.00 0.00 C ATOM 53 CG PRO A 4 11.191 0.892 4.637 1.00 0.00 C ATOM 54 CD PRO A 4 11.771 0.490 3.312 1.00 0.00 C ATOM 0 HA PRO A 4 8.946 -0.937 3.729 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.454 2.020 4.096 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.169 0.816 5.337 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.615 1.836 4.979 1.00 0.00 H new ATOM 0 HG3 PRO A 4 11.412 0.148 5.402 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.037 1.357 2.708 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.677 -0.105 3.432 1.00 0.00 H new ATOM 62 N VAL A 5 8.814 0.979 1.207 1.00 0.00 N ATOM 63 CA VAL A 5 7.922 1.533 0.193 1.00 0.00 C ATOM 64 C VAL A 5 6.823 0.540 -0.167 1.00 0.00 C ATOM 65 O VAL A 5 5.636 0.850 -0.072 1.00 0.00 O ATOM 66 CB VAL A 5 8.691 1.905 -1.087 1.00 0.00 C ATOM 67 CG1 VAL A 5 7.789 2.660 -2.053 1.00 0.00 C ATOM 68 CG2 VAL A 5 9.927 2.724 -0.747 1.00 0.00 C ATOM 0 H VAL A 5 9.799 0.969 0.942 1.00 0.00 H new ATOM 0 HA VAL A 5 7.478 2.433 0.619 1.00 0.00 H new ATOM 0 HB VAL A 5 9.015 0.986 -1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.351 2.914 -2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.938 2.034 -2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.431 3.574 -1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 5 10.459 2.978 -1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.628 3.639 -0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.581 2.143 -0.098 1.00 0.00 H new ATOM 78 N LEU A 6 7.229 -0.659 -0.573 1.00 0.00 N ATOM 79 CA LEU A 6 6.285 -1.701 -0.939 1.00 0.00 C ATOM 80 C LEU A 6 5.379 -2.041 0.239 1.00 0.00 C ATOM 81 O LEU A 6 4.233 -2.454 0.057 1.00 0.00 O ATOM 82 CB LEU A 6 7.029 -2.954 -1.408 1.00 0.00 C ATOM 83 CG LEU A 6 7.113 -3.126 -2.925 1.00 0.00 C ATOM 84 CD1 LEU A 6 8.240 -4.080 -3.294 1.00 0.00 C ATOM 85 CD2 LEU A 6 5.785 -3.624 -3.477 1.00 0.00 C ATOM 0 H LEU A 6 8.209 -0.930 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 6 5.668 -1.331 -1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.041 -2.930 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.537 -3.830 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 6 7.329 -2.155 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.284 -4.190 -4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.187 -3.682 -2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.057 -5.053 -2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.861 -3.741 -4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.540 -4.585 -3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.001 -2.903 -3.245 1.00 0.00 H new ATOM 97 N GLY A 7 5.899 -1.853 1.448 1.00 0.00 N ATOM 98 CA GLY A 7 5.127 -2.132 2.638 1.00 0.00 C ATOM 99 C GLY A 7 4.173 -1.007 2.955 1.00 0.00 C ATOM 100 O GLY A 7 3.089 -1.230 3.494 1.00 0.00 O ATOM 0 H GLY A 7 6.844 -1.511 1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.567 -3.057 2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.800 -2.288 3.481 1.00 0.00 H new ATOM 104 N LEU A 8 4.581 0.211 2.612 1.00 0.00 N ATOM 105 CA LEU A 8 3.758 1.379 2.859 1.00 0.00 C ATOM 106 C LEU A 8 2.640 1.467 1.827 1.00 0.00 C ATOM 107 O LEU A 8 1.484 1.711 2.173 1.00 0.00 O ATOM 108 CB LEU A 8 4.626 2.651 2.889 1.00 0.00 C ATOM 109 CG LEU A 8 4.402 3.650 1.753 1.00 0.00 C ATOM 110 CD1 LEU A 8 3.399 4.717 2.168 1.00 0.00 C ATOM 111 CD2 LEU A 8 5.719 4.288 1.329 1.00 0.00 C ATOM 0 H LEU A 8 5.475 0.410 2.163 1.00 0.00 H new ATOM 0 HA LEU A 8 3.288 1.287 3.838 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.450 3.163 3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.674 2.351 2.879 1.00 0.00 H new ATOM 0 HG LEU A 8 3.994 3.109 0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.253 5.418 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.448 4.246 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.777 5.252 3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.537 4.995 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.159 4.812 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.405 3.513 0.986 1.00 0.00 H new ATOM 123 N VAL A 9 2.981 1.238 0.564 1.00 0.00 N ATOM 124 CA VAL A 9 1.988 1.269 -0.496 1.00 0.00 C ATOM 125 C VAL A 9 1.064 0.069 -0.363 1.00 0.00 C ATOM 126 O VAL A 9 -0.130 0.154 -0.644 1.00 0.00 O ATOM 127 CB VAL A 9 2.637 1.264 -1.893 1.00 0.00 C ATOM 128 CG1 VAL A 9 1.570 1.354 -2.977 1.00 0.00 C ATOM 129 CG2 VAL A 9 3.635 2.405 -2.018 1.00 0.00 C ATOM 0 H VAL A 9 3.930 1.031 0.254 1.00 0.00 H new ATOM 0 HA VAL A 9 1.422 2.195 -0.394 1.00 0.00 H new ATOM 0 HB VAL A 9 3.175 0.325 -2.024 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.046 1.349 -3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.897 0.501 -2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.003 2.277 -2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.085 2.388 -3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.122 3.355 -1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.414 2.291 -1.264 1.00 0.00 H new ATOM 139 N GLY A 10 1.629 -1.045 0.098 1.00 0.00 N ATOM 140 CA GLY A 10 0.846 -2.246 0.292 1.00 0.00 C ATOM 141 C GLY A 10 -0.192 -2.056 1.375 1.00 0.00 C ATOM 142 O GLY A 10 -1.252 -2.682 1.351 1.00 0.00 O ATOM 0 H GLY A 10 2.616 -1.133 0.340 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.354 -2.517 -0.642 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.504 -3.073 0.557 1.00 0.00 H new ATOM 146 N SER A 11 0.108 -1.168 2.319 1.00 0.00 N ATOM 147 CA SER A 11 -0.812 -0.874 3.408 1.00 0.00 C ATOM 148 C SER A 11 -1.955 -0.024 2.885 1.00 0.00 C ATOM 149 O SER A 11 -3.126 -0.306 3.141 1.00 0.00 O ATOM 150 CB SER A 11 -0.091 -0.154 4.549 1.00 0.00 C ATOM 151 OG SER A 11 0.307 -1.067 5.557 1.00 0.00 O ATOM 0 H SER A 11 0.981 -0.641 2.350 1.00 0.00 H new ATOM 0 HA SER A 11 -1.208 -1.811 3.800 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.784 0.367 4.159 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.748 0.603 4.978 1.00 0.00 H new ATOM 0 HG SER A 11 0.767 -0.583 6.274 1.00 0.00 H new ATOM 157 N ALA A 12 -1.605 1.000 2.115 1.00 0.00 N ATOM 158 CA ALA A 12 -2.598 1.872 1.515 1.00 0.00 C ATOM 159 C ALA A 12 -3.323 1.143 0.391 1.00 0.00 C ATOM 160 O ALA A 12 -4.328 1.621 -0.135 1.00 0.00 O ATOM 161 CB ALA A 12 -1.947 3.147 0.998 1.00 0.00 C ATOM 0 H ALA A 12 -0.640 1.244 1.894 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.327 2.149 2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.707 3.788 0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.469 3.672 1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.198 2.895 0.247 1.00 0.00 H new ATOM 167 N LEU A 13 -2.798 -0.027 0.040 1.00 0.00 N ATOM 168 CA LEU A 13 -3.370 -0.853 -1.008 1.00 0.00 C ATOM 169 C LEU A 13 -4.654 -1.516 -0.519 1.00 0.00 C ATOM 170 O LEU A 13 -5.567 -1.776 -1.302 1.00 0.00 O ATOM 171 CB LEU A 13 -2.337 -1.902 -1.454 1.00 0.00 C ATOM 172 CG LEU A 13 -2.614 -3.345 -1.018 1.00 0.00 C ATOM 173 CD1 LEU A 13 -3.739 -3.953 -1.846 1.00 0.00 C ATOM 174 CD2 LEU A 13 -1.353 -4.190 -1.135 1.00 0.00 C ATOM 0 H LEU A 13 -1.966 -0.425 0.475 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.625 -0.229 -1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.271 -1.878 -2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.361 -1.608 -1.069 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.926 -3.330 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.919 -4.977 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.647 -3.365 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.457 -3.952 -2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.569 -5.211 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.012 -4.193 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.574 -3.772 -0.497 1.00 0.00 H new ATOM 186 N GLY A 14 -4.722 -1.768 0.785 1.00 0.00 N ATOM 187 CA GLY A 14 -5.905 -2.376 1.356 1.00 0.00 C ATOM 188 C GLY A 14 -6.939 -1.328 1.686 1.00 0.00 C ATOM 189 O GLY A 14 -8.133 -1.616 1.767 1.00 0.00 O ATOM 0 H GLY A 14 -3.979 -1.562 1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.323 -3.098 0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.637 -2.926 2.258 1.00 0.00 H new ATOM 193 N GLY A 15 -6.468 -0.099 1.861 1.00 0.00 N ATOM 194 CA GLY A 15 -7.351 0.998 2.166 1.00 0.00 C ATOM 195 C GLY A 15 -8.165 1.417 0.959 1.00 0.00 C ATOM 196 O GLY A 15 -9.369 1.640 1.061 1.00 0.00 O ATOM 0 H GLY A 15 -5.482 0.153 1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.022 0.710 2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.767 1.846 2.523 1.00 0.00 H new ATOM 200 N LEU A 16 -7.510 1.500 -0.195 1.00 0.00 N ATOM 201 CA LEU A 16 -8.184 1.867 -1.429 1.00 0.00 C ATOM 202 C LEU A 16 -8.967 0.674 -1.961 1.00 0.00 C ATOM 203 O LEU A 16 -9.929 0.822 -2.714 1.00 0.00 O ATOM 204 CB LEU A 16 -7.163 2.331 -2.472 1.00 0.00 C ATOM 205 CG LEU A 16 -7.644 3.449 -3.401 1.00 0.00 C ATOM 206 CD1 LEU A 16 -6.980 4.770 -3.040 1.00 0.00 C ATOM 207 CD2 LEU A 16 -7.367 3.093 -4.853 1.00 0.00 C ATOM 0 H LEU A 16 -6.512 1.317 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.873 2.687 -1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.267 2.671 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.873 1.474 -3.080 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.721 3.560 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.335 5.551 -3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.230 5.034 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.899 4.672 -3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.716 3.899 -5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.296 2.952 -4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.891 2.172 -5.108 1.00 0.00 H new ATOM 219 N LEU A 17 -8.531 -0.510 -1.550 1.00 0.00 N ATOM 220 CA LEU A 17 -9.144 -1.755 -1.950 1.00 0.00 C ATOM 221 C LEU A 17 -10.437 -1.990 -1.187 1.00 0.00 C ATOM 222 O LEU A 17 -11.304 -2.748 -1.622 1.00 0.00 O ATOM 223 CB LEU A 17 -8.164 -2.913 -1.720 1.00 0.00 C ATOM 224 CG LEU A 17 -8.746 -4.323 -1.867 1.00 0.00 C ATOM 225 CD1 LEU A 17 -8.701 -4.775 -3.320 1.00 0.00 C ATOM 226 CD2 LEU A 17 -7.993 -5.302 -0.979 1.00 0.00 C ATOM 0 H LEU A 17 -7.734 -0.626 -0.924 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.387 -1.701 -3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.337 -2.808 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.746 -2.816 -0.718 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.789 -4.299 -1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.119 -5.778 -3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.284 -4.088 -3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.668 -4.783 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.418 -6.299 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.942 -5.320 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.079 -4.989 0.062 1.00 0.00 H new ATOM 238 N LYS A 18 -10.544 -1.353 -0.029 1.00 0.00 N ATOM 239 CA LYS A 18 -11.704 -1.511 0.815 1.00 0.00 C ATOM 240 C LYS A 18 -12.982 -1.096 0.088 1.00 0.00 C ATOM 241 O LYS A 18 -13.967 -1.834 0.083 1.00 0.00 O ATOM 242 CB LYS A 18 -11.500 -0.742 2.138 1.00 0.00 C ATOM 243 CG LYS A 18 -12.430 0.444 2.360 1.00 0.00 C ATOM 244 CD LYS A 18 -11.663 1.710 2.701 1.00 0.00 C ATOM 245 CE LYS A 18 -11.790 2.743 1.593 1.00 0.00 C ATOM 246 NZ LYS A 18 -12.831 3.764 1.902 1.00 0.00 N ATOM 0 H LYS A 18 -9.835 -0.721 0.342 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.823 -2.566 1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.626 -1.440 2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.471 -0.386 2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.026 0.611 1.463 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.126 0.213 3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.040 2.126 3.635 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.612 1.470 2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.830 3.237 1.445 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.039 2.243 0.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.628 4.637 1.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.766 3.402 1.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.827 3.966 2.922 1.00 0.00 H new ATOM 260 N LYS A 19 -12.961 0.081 -0.527 1.00 0.00 N ATOM 261 CA LYS A 19 -14.123 0.577 -1.253 1.00 0.00 C ATOM 262 C LYS A 19 -14.066 0.177 -2.727 1.00 0.00 C ATOM 263 O LYS A 19 -15.038 0.341 -3.464 1.00 0.00 O ATOM 264 CB LYS A 19 -14.231 2.099 -1.097 1.00 0.00 C ATOM 265 CG LYS A 19 -13.656 2.896 -2.256 1.00 0.00 C ATOM 266 CD LYS A 19 -12.227 2.483 -2.579 1.00 0.00 C ATOM 267 CE LYS A 19 -11.208 3.116 -1.652 1.00 0.00 C ATOM 268 NZ LYS A 19 -11.679 4.404 -1.070 1.00 0.00 N ATOM 0 H LYS A 19 -12.156 0.707 -0.537 1.00 0.00 H new ATOM 0 HA LYS A 19 -15.017 0.121 -0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.281 2.365 -0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.720 2.394 -0.181 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.282 2.757 -3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -13.680 3.958 -2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.144 1.398 -2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.997 2.761 -3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.977 2.421 -0.845 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.282 3.287 -2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.931 4.809 -0.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.907 5.069 -1.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.529 4.235 -0.494 1.00 0.00 H new ATOM 282 N ILE A 20 -12.908 -0.321 -3.151 1.00 0.00 N ATOM 283 CA ILE A 20 -12.707 -0.716 -4.536 1.00 0.00 C ATOM 284 C ILE A 20 -13.768 -1.716 -4.993 1.00 0.00 C ATOM 285 O ILE A 20 -14.207 -2.535 -4.157 1.00 0.00 O ATOM 286 CB ILE A 20 -11.294 -1.306 -4.753 1.00 0.00 C ATOM 287 CG1 ILE A 20 -10.822 -1.040 -6.183 1.00 0.00 C ATOM 288 CG2 ILE A 20 -11.266 -2.799 -4.449 1.00 0.00 C ATOM 289 CD1 ILE A 20 -9.388 -0.567 -6.266 1.00 0.00 C ATOM 290 OXT ILE A 20 -14.152 -1.670 -6.180 1.00 0.00 O ATOM 0 H ILE A 20 -12.095 -0.460 -2.551 1.00 0.00 H new ATOM 0 HA ILE A 20 -12.803 0.186 -5.141 1.00 0.00 H new ATOM 0 HB ILE A 20 -10.612 -0.813 -4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -10.930 -1.953 -6.769 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -11.470 -0.291 -6.638 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -10.259 -3.184 -4.611 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -11.555 -2.964 -3.411 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.963 -3.317 -5.107 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.120 -0.398 -7.309 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.279 0.363 -5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.730 -1.325 -5.841 1.00 0.00 H new TER 302 ILE A 20