USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 163 hydrogens (2 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+ -116:sc= 0.0114 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.014) USER MOD Single : A 11 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 16 LYS NZ :NH3+ 153:sc= 0.213 (180deg=-0.0836) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.243 -0.154 0.892 1.00 25.00 N ATOM 2 CA GLY A 1 0.326 0.109 -0.569 1.00 25.00 C ATOM 3 C GLY A 1 1.363 1.158 -0.980 1.00 25.00 C ATOM 4 O GLY A 1 1.928 1.869 -0.181 1.00 25.00 O ATOM 0 H1 GLY A 1 0.522 -1.137 1.084 1.00 25.00 H new ATOM 0 H2 GLY A 1 0.882 0.492 1.398 1.00 25.00 H new ATOM 0 H3 GLY A 1 -0.733 -0.001 1.217 1.00 25.00 H new ATOM 0 HA2 GLY A 1 0.556 -0.827 -1.079 1.00 25.00 H new ATOM 0 HA3 GLY A 1 -0.654 0.431 -0.921 1.00 25.00 H new ATOM 10 N ILE A 2 1.628 1.266 -2.290 1.00 25.00 N ATOM 11 CA ILE A 2 2.664 2.164 -2.824 1.00 25.00 C ATOM 12 C ILE A 2 2.408 3.621 -2.440 1.00 25.00 C ATOM 13 O ILE A 2 3.346 4.363 -2.090 1.00 25.00 O ATOM 14 CB ILE A 2 2.732 2.027 -4.378 1.00 25.00 C ATOM 15 CG1 ILE A 2 3.014 0.559 -4.783 1.00 25.00 C ATOM 16 CG2 ILE A 2 3.836 2.934 -4.985 1.00 25.00 C ATOM 17 CD1 ILE A 2 1.891 -0.066 -5.616 1.00 25.00 C ATOM 0 H ILE A 2 1.133 0.736 -3.007 1.00 25.00 H new ATOM 0 HA ILE A 2 3.618 1.870 -2.385 1.00 25.00 H new ATOM 0 HB ILE A 2 1.764 2.341 -4.768 1.00 25.00 H new ATOM 0 HG12 ILE A 2 3.944 0.518 -5.350 1.00 25.00 H new ATOM 0 HG13 ILE A 2 3.164 -0.037 -3.883 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.853 2.811 -6.068 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.626 3.975 -4.741 1.00 25.00 H new ATOM 0 HG23 ILE A 2 4.805 2.653 -4.573 1.00 25.00 H new ATOM 0 HD11 ILE A 2 2.152 -1.094 -5.866 1.00 25.00 H new ATOM 0 HD12 ILE A 2 0.964 -0.056 -5.043 1.00 25.00 H new ATOM 0 HD13 ILE A 2 1.756 0.507 -6.533 1.00 25.00 H new ATOM 29 N LEU A 3 1.137 4.004 -2.426 1.00 25.00 N ATOM 30 CA LEU A 3 0.750 5.369 -2.071 1.00 25.00 C ATOM 31 C LEU A 3 1.139 5.749 -0.637 1.00 25.00 C ATOM 32 O LEU A 3 1.427 6.909 -0.352 1.00 25.00 O ATOM 33 CB LEU A 3 -0.763 5.523 -2.268 1.00 25.00 C ATOM 34 CG LEU A 3 -1.376 6.912 -2.012 1.00 25.00 C ATOM 35 CD1 LEU A 3 -0.766 7.986 -2.941 1.00 25.00 C ATOM 36 CD2 LEU A 3 -2.889 6.860 -2.209 1.00 25.00 C ATOM 0 H LEU A 3 0.355 3.391 -2.656 1.00 25.00 H new ATOM 0 HA LEU A 3 1.294 6.049 -2.726 1.00 25.00 H new ATOM 0 HB2 LEU A 3 -1.000 5.235 -3.292 1.00 25.00 H new ATOM 0 HB3 LEU A 3 -1.262 4.809 -1.612 1.00 25.00 H new ATOM 0 HG LEU A 3 -1.148 7.189 -0.983 1.00 25.00 H new ATOM 0 HD11 LEU A 3 -1.224 8.952 -2.730 1.00 25.00 H new ATOM 0 HD12 LEU A 3 0.308 8.048 -2.769 1.00 25.00 H new ATOM 0 HD13 LEU A 3 -0.952 7.716 -3.981 1.00 25.00 H new ATOM 0 HD21 LEU A 3 -3.314 7.847 -2.026 1.00 25.00 H new ATOM 0 HD22 LEU A 3 -3.113 6.553 -3.231 1.00 25.00 H new ATOM 0 HD23 LEU A 3 -3.322 6.143 -1.511 1.00 25.00 H new ATOM 48 N SER A 4 1.189 4.771 0.270 1.00 25.00 N ATOM 49 CA SER A 4 1.551 5.027 1.667 1.00 25.00 C ATOM 50 C SER A 4 2.986 5.561 1.779 1.00 25.00 C ATOM 51 O SER A 4 3.291 6.356 2.668 1.00 25.00 O ATOM 52 CB SER A 4 1.413 3.739 2.488 1.00 25.00 C ATOM 53 OG SER A 4 1.652 3.963 3.869 1.00 25.00 O ATOM 0 H SER A 4 0.983 3.794 0.063 1.00 25.00 H new ATOM 0 HA SER A 4 0.872 5.784 2.059 1.00 25.00 H new ATOM 0 HB2 SER A 4 0.412 3.329 2.355 1.00 25.00 H new ATOM 0 HB3 SER A 4 2.115 2.993 2.114 1.00 25.00 H new ATOM 0 HG SER A 4 1.553 3.120 4.359 1.00 25.00 H new ATOM 59 N SER A 5 3.848 5.166 0.847 1.00 25.00 N ATOM 60 CA SER A 5 5.225 5.665 0.845 1.00 25.00 C ATOM 61 C SER A 5 5.223 7.153 0.520 1.00 25.00 C ATOM 62 O SER A 5 5.841 7.945 1.226 1.00 25.00 O ATOM 63 CB SER A 5 6.081 4.901 -0.171 1.00 25.00 C ATOM 64 OG SER A 5 7.433 5.337 -0.156 1.00 25.00 O ATOM 0 H SER A 5 3.626 4.514 0.095 1.00 25.00 H new ATOM 0 HA SER A 5 5.658 5.509 1.833 1.00 25.00 H new ATOM 0 HB2 SER A 5 6.041 3.834 0.049 1.00 25.00 H new ATOM 0 HB3 SER A 5 5.667 5.036 -1.170 1.00 25.00 H new ATOM 0 HG SER A 5 7.949 4.827 -0.815 1.00 25.00 H new ATOM 70 N LEU A 6 4.487 7.538 -0.519 1.00 25.00 N ATOM 71 CA LEU A 6 4.399 8.945 -0.905 1.00 25.00 C ATOM 72 C LEU A 6 3.777 9.757 0.220 1.00 25.00 C ATOM 73 O LEU A 6 4.239 10.856 0.541 1.00 25.00 O ATOM 74 CB LEU A 6 3.530 9.087 -2.158 1.00 25.00 C ATOM 75 CG LEU A 6 3.410 10.497 -2.771 1.00 25.00 C ATOM 76 CD1 LEU A 6 4.775 11.030 -3.224 1.00 25.00 C ATOM 77 CD2 LEU A 6 2.451 10.456 -3.952 1.00 25.00 C ATOM 0 H LEU A 6 3.947 6.902 -1.105 1.00 25.00 H new ATOM 0 HA LEU A 6 5.404 9.313 -1.109 1.00 25.00 H new ATOM 0 HB2 LEU A 6 3.926 8.418 -2.922 1.00 25.00 H new ATOM 0 HB3 LEU A 6 2.527 8.736 -1.916 1.00 25.00 H new ATOM 0 HG LEU A 6 3.026 11.172 -2.005 1.00 25.00 H new ATOM 0 HD11 LEU A 6 4.653 12.025 -3.651 1.00 25.00 H new ATOM 0 HD12 LEU A 6 5.448 11.082 -2.368 1.00 25.00 H new ATOM 0 HD13 LEU A 6 5.195 10.362 -3.976 1.00 25.00 H new ATOM 0 HD21 LEU A 6 2.365 11.452 -4.386 1.00 25.00 H new ATOM 0 HD22 LEU A 6 2.829 9.764 -4.704 1.00 25.00 H new ATOM 0 HD23 LEU A 6 1.470 10.123 -3.613 1.00 25.00 H new ATOM 89 N TRP A 7 2.729 9.220 0.822 1.00 25.00 N ATOM 90 CA TRP A 7 2.009 9.919 1.878 1.00 25.00 C ATOM 91 C TRP A 7 2.909 10.168 3.090 1.00 25.00 C ATOM 92 O TRP A 7 3.011 11.283 3.596 1.00 25.00 O ATOM 93 CB TRP A 7 0.774 9.124 2.290 1.00 25.00 C ATOM 94 CG TRP A 7 -0.169 9.950 3.089 1.00 25.00 C ATOM 95 CD1 TRP A 7 -1.253 10.624 2.642 1.00 25.00 C ATOM 96 CD2 TRP A 7 -0.110 10.219 4.505 1.00 25.00 C ATOM 97 NE1 TRP A 7 -1.884 11.295 3.650 1.00 25.00 N ATOM 98 CE2 TRP A 7 -1.193 11.078 4.812 1.00 25.00 C ATOM 99 CE3 TRP A 7 0.752 9.814 5.532 1.00 25.00 C ATOM 100 CZ2 TRP A 7 -1.415 11.561 6.115 1.00 25.00 C ATOM 101 CZ3 TRP A 7 0.536 10.294 6.840 1.00 25.00 C ATOM 102 CH2 TRP A 7 -0.542 11.169 7.118 1.00 25.00 C ATOM 0 H TRP A 7 2.355 8.298 0.597 1.00 25.00 H new ATOM 0 HA TRP A 7 1.694 10.887 1.488 1.00 25.00 H new ATOM 0 HB2 TRP A 7 0.267 8.751 1.400 1.00 25.00 H new ATOM 0 HB3 TRP A 7 1.078 8.254 2.871 1.00 25.00 H new ATOM 0 HD1 TRP A 7 -1.580 10.631 1.613 1.00 25.00 H new ATOM 0 HE1 TRP A 7 -2.727 11.862 3.554 1.00 25.00 H new ATOM 0 HE3 TRP A 7 1.572 9.142 5.325 1.00 25.00 H new ATOM 0 HZ2 TRP A 7 -2.244 12.220 6.328 1.00 25.00 H new ATOM 0 HZ3 TRP A 7 1.199 9.992 7.637 1.00 25.00 H new ATOM 0 HH2 TRP A 7 -0.686 11.535 8.124 1.00 25.00 H new ATOM 113 N LYS A 8 3.611 9.145 3.551 1.00 25.00 N ATOM 114 CA LYS A 8 4.468 9.324 4.722 1.00 25.00 C ATOM 115 C LYS A 8 5.692 10.182 4.415 1.00 25.00 C ATOM 116 O LYS A 8 6.269 10.775 5.317 1.00 25.00 O ATOM 117 CB LYS A 8 4.888 7.982 5.325 1.00 25.00 C ATOM 118 CG LYS A 8 3.739 7.245 6.000 1.00 25.00 C ATOM 119 CD LYS A 8 4.211 6.193 7.016 1.00 25.00 C ATOM 120 CE LYS A 8 4.792 4.940 6.353 1.00 25.00 C ATOM 121 NZ LYS A 8 5.153 3.890 7.362 1.00 25.00 N ATOM 0 H LYS A 8 3.610 8.207 3.150 1.00 25.00 H new ATOM 0 HA LYS A 8 3.871 9.856 5.462 1.00 25.00 H new ATOM 0 HB2 LYS A 8 5.304 7.352 4.539 1.00 25.00 H new ATOM 0 HB3 LYS A 8 5.682 8.150 6.053 1.00 25.00 H new ATOM 0 HG2 LYS A 8 3.099 7.968 6.506 1.00 25.00 H new ATOM 0 HG3 LYS A 8 3.130 6.758 5.238 1.00 25.00 H new ATOM 0 HD2 LYS A 8 4.965 6.636 7.666 1.00 25.00 H new ATOM 0 HD3 LYS A 8 3.372 5.906 7.650 1.00 25.00 H new ATOM 0 HE2 LYS A 8 4.067 4.533 5.649 1.00 25.00 H new ATOM 0 HE3 LYS A 8 5.678 5.211 5.778 1.00 25.00 H new ATOM 0 HZ1 LYS A 8 5.542 3.059 6.874 1.00 25.00 H new ATOM 0 HZ2 LYS A 8 5.864 4.270 8.019 1.00 25.00 H new ATOM 0 HZ3 LYS A 8 4.303 3.613 7.894 1.00 25.00 H new ATOM 135 N LYS A 9 6.073 10.280 3.148 1.00 25.00 N ATOM 136 CA LYS A 9 7.164 11.186 2.771 1.00 25.00 C ATOM 137 C LYS A 9 6.755 12.647 2.971 1.00 25.00 C ATOM 138 O LYS A 9 7.569 13.452 3.425 1.00 25.00 O ATOM 139 CB LYS A 9 7.599 10.991 1.316 1.00 25.00 C ATOM 140 CG LYS A 9 8.530 9.819 1.093 1.00 25.00 C ATOM 141 CD LYS A 9 8.781 9.610 -0.387 1.00 25.00 C ATOM 142 CE LYS A 9 9.636 8.389 -0.647 1.00 25.00 C ATOM 143 NZ LYS A 9 11.034 8.538 -0.122 1.00 25.00 N ATOM 0 H LYS A 9 5.658 9.759 2.376 1.00 25.00 H new ATOM 0 HA LYS A 9 8.004 10.943 3.422 1.00 25.00 H new ATOM 0 HB2 LYS A 9 6.711 10.856 0.699 1.00 25.00 H new ATOM 0 HB3 LYS A 9 8.091 11.901 0.972 1.00 25.00 H new ATOM 0 HG2 LYS A 9 9.475 9.996 1.606 1.00 25.00 H new ATOM 0 HG3 LYS A 9 8.097 8.917 1.525 1.00 25.00 H new ATOM 0 HD2 LYS A 9 7.828 9.503 -0.905 1.00 25.00 H new ATOM 0 HD3 LYS A 9 9.271 10.491 -0.800 1.00 25.00 H new ATOM 0 HE2 LYS A 9 9.170 7.519 -0.185 1.00 25.00 H new ATOM 0 HE3 LYS A 9 9.674 8.199 -1.720 1.00 25.00 H new ATOM 0 HZ1 LYS A 9 11.595 7.703 -0.386 1.00 25.00 H new ATOM 0 HZ2 LYS A 9 11.469 9.390 -0.530 1.00 25.00 H new ATOM 0 HZ3 LYS A 9 11.008 8.624 0.914 1.00 25.00 H new ATOM 157 N LEU A 10 5.503 12.975 2.678 1.00 25.00 N ATOM 158 CA LEU A 10 5.005 14.337 2.906 1.00 25.00 C ATOM 159 C LEU A 10 4.937 14.594 4.422 1.00 25.00 C ATOM 160 O LEU A 10 5.376 15.641 4.904 1.00 25.00 O ATOM 161 CB LEU A 10 3.639 14.533 2.212 1.00 25.00 C ATOM 162 CG LEU A 10 2.316 14.432 3.013 1.00 25.00 C ATOM 163 CD1 LEU A 10 1.925 15.748 3.689 1.00 25.00 C ATOM 164 CD2 LEU A 10 1.207 13.993 2.055 1.00 25.00 C ATOM 0 H LEU A 10 4.817 12.330 2.287 1.00 25.00 H new ATOM 0 HA LEU A 10 5.684 15.068 2.467 1.00 25.00 H new ATOM 0 HB2 LEU A 10 3.656 15.518 1.746 1.00 25.00 H new ATOM 0 HB3 LEU A 10 3.582 13.801 1.407 1.00 25.00 H new ATOM 0 HG LEU A 10 2.460 13.705 3.812 1.00 25.00 H new ATOM 0 HD11 LEU A 10 0.991 15.614 4.234 1.00 25.00 H new ATOM 0 HD12 LEU A 10 2.710 16.048 4.383 1.00 25.00 H new ATOM 0 HD13 LEU A 10 1.795 16.521 2.932 1.00 25.00 H new ATOM 0 HD21 LEU A 10 0.266 13.916 2.599 1.00 25.00 H new ATOM 0 HD22 LEU A 10 1.105 14.727 1.256 1.00 25.00 H new ATOM 0 HD23 LEU A 10 1.459 13.023 1.626 1.00 25.00 H new ATOM 176 N LYS A 11 4.524 13.586 5.186 1.00 25.00 N ATOM 177 CA LYS A 11 4.479 13.687 6.650 1.00 25.00 C ATOM 178 C LYS A 11 5.861 13.976 7.218 1.00 25.00 C ATOM 179 O LYS A 11 5.985 14.681 8.209 1.00 25.00 O ATOM 180 CB LYS A 11 3.944 12.375 7.250 1.00 25.00 C ATOM 181 CG LYS A 11 3.573 12.477 8.733 1.00 25.00 C ATOM 182 CD LYS A 11 3.494 11.118 9.384 1.00 25.00 C ATOM 183 CE LYS A 11 3.115 11.241 10.850 1.00 25.00 C ATOM 184 NZ LYS A 11 3.117 9.940 11.601 1.00 25.00 N ATOM 0 H LYS A 11 4.214 12.686 4.819 1.00 25.00 H new ATOM 0 HA LYS A 11 3.814 14.510 6.913 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.065 12.061 6.686 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.697 11.597 7.127 1.00 25.00 H new ATOM 0 HG2 LYS A 11 4.313 13.086 9.252 1.00 25.00 H new ATOM 0 HG3 LYS A 11 2.614 12.985 8.834 1.00 25.00 H new ATOM 0 HD2 LYS A 11 2.759 10.504 8.864 1.00 25.00 H new ATOM 0 HD3 LYS A 11 4.454 10.611 9.294 1.00 25.00 H new ATOM 0 HE2 LYS A 11 3.808 11.928 11.336 1.00 25.00 H new ATOM 0 HE3 LYS A 11 2.122 11.686 10.920 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 2.848 10.110 12.591 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 2.436 9.286 11.165 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 4.068 9.521 11.567 1.00 25.00 H new ATOM 198 N LYS A 12 6.899 13.415 6.601 1.00 25.00 N ATOM 199 CA LYS A 12 8.263 13.586 7.087 1.00 25.00 C ATOM 200 C LYS A 12 8.672 15.053 7.145 1.00 25.00 C ATOM 201 O LYS A 12 9.408 15.445 8.034 1.00 25.00 O ATOM 202 CB LYS A 12 9.258 12.798 6.219 1.00 25.00 C ATOM 203 CG LYS A 12 10.643 12.704 6.848 1.00 25.00 C ATOM 204 CD LYS A 12 11.626 11.901 5.983 1.00 25.00 C ATOM 205 CE LYS A 12 12.991 11.866 6.657 1.00 25.00 C ATOM 206 NZ LYS A 12 14.030 11.125 5.850 1.00 25.00 N ATOM 0 H LYS A 12 6.820 12.838 5.763 1.00 25.00 H new ATOM 0 HA LYS A 12 8.287 13.193 8.103 1.00 25.00 H new ATOM 0 HB2 LYS A 12 8.871 11.793 6.052 1.00 25.00 H new ATOM 0 HB3 LYS A 12 9.339 13.275 5.242 1.00 25.00 H new ATOM 0 HG2 LYS A 12 11.037 13.708 7.004 1.00 25.00 H new ATOM 0 HG3 LYS A 12 10.562 12.237 7.830 1.00 25.00 H new ATOM 0 HD2 LYS A 12 11.254 10.886 5.839 1.00 25.00 H new ATOM 0 HD3 LYS A 12 11.709 12.353 4.995 1.00 25.00 H new ATOM 0 HE2 LYS A 12 13.332 12.887 6.827 1.00 25.00 H new ATOM 0 HE3 LYS A 12 12.895 11.395 7.635 1.00 25.00 H new ATOM 0 HZ1 LYS A 12 14.937 11.135 6.359 1.00 25.00 H new ATOM 0 HZ2 LYS A 12 13.723 10.141 5.708 1.00 25.00 H new ATOM 0 HZ3 LYS A 12 14.147 11.588 4.926 1.00 25.00 H new ATOM 220 N ILE A 13 8.184 15.842 6.201 1.00 25.00 N ATOM 221 CA ILE A 13 8.559 17.265 6.108 1.00 25.00 C ATOM 222 C ILE A 13 7.961 18.079 7.277 1.00 25.00 C ATOM 223 O ILE A 13 8.559 19.041 7.729 1.00 25.00 O ATOM 224 CB ILE A 13 8.065 17.873 4.756 1.00 25.00 C ATOM 225 CG1 ILE A 13 8.595 17.044 3.564 1.00 25.00 C ATOM 226 CG2 ILE A 13 8.477 19.370 4.600 1.00 25.00 C ATOM 227 CD1 ILE A 13 10.141 16.939 3.463 1.00 25.00 C ATOM 0 H ILE A 13 7.528 15.532 5.484 1.00 25.00 H new ATOM 0 HA ILE A 13 9.646 17.321 6.160 1.00 25.00 H new ATOM 0 HB ILE A 13 6.976 17.833 4.763 1.00 25.00 H new ATOM 0 HG12 ILE A 13 8.183 16.037 3.631 1.00 25.00 H new ATOM 0 HG13 ILE A 13 8.216 17.483 2.641 1.00 25.00 H new ATOM 0 HG21 ILE A 13 8.112 19.750 3.646 1.00 25.00 H new ATOM 0 HG22 ILE A 13 8.044 19.953 5.413 1.00 25.00 H new ATOM 0 HG23 ILE A 13 9.563 19.454 4.633 1.00 25.00 H new ATOM 0 HD11 ILE A 13 10.409 16.338 2.594 1.00 25.00 H new ATOM 0 HD12 ILE A 13 10.567 17.937 3.359 1.00 25.00 H new ATOM 0 HD13 ILE A 13 10.533 16.469 4.365 1.00 25.00 H new ATOM 239 N ILE A 14 6.795 17.658 7.757 1.00 25.00 N ATOM 240 CA ILE A 14 6.090 18.339 8.842 1.00 25.00 C ATOM 241 C ILE A 14 6.927 18.318 10.125 1.00 25.00 C ATOM 242 O ILE A 14 6.938 19.270 10.890 1.00 25.00 O ATOM 243 CB ILE A 14 4.691 17.681 9.090 1.00 25.00 C ATOM 244 CG1 ILE A 14 3.875 17.589 7.774 1.00 25.00 C ATOM 245 CG2 ILE A 14 3.888 18.488 10.168 1.00 25.00 C ATOM 246 CD1 ILE A 14 3.590 18.939 7.045 1.00 25.00 C ATOM 0 H ILE A 14 6.310 16.833 7.405 1.00 25.00 H new ATOM 0 HA ILE A 14 5.934 19.377 8.549 1.00 25.00 H new ATOM 0 HB ILE A 14 4.858 16.669 9.459 1.00 25.00 H new ATOM 0 HG12 ILE A 14 4.408 16.934 7.085 1.00 25.00 H new ATOM 0 HG13 ILE A 14 2.921 17.111 7.995 1.00 25.00 H new ATOM 0 HG21 ILE A 14 2.918 18.017 10.328 1.00 25.00 H new ATOM 0 HG22 ILE A 14 4.445 18.498 11.105 1.00 25.00 H new ATOM 0 HG23 ILE A 14 3.741 19.511 9.822 1.00 25.00 H new ATOM 0 HD11 ILE A 14 3.014 18.749 6.140 1.00 25.00 H new ATOM 0 HD12 ILE A 14 3.023 19.596 7.705 1.00 25.00 H new ATOM 0 HD13 ILE A 14 4.534 19.416 6.781 1.00 25.00 H new ATOM 258 N ALA A 15 7.657 17.229 10.320 1.00 25.00 N ATOM 259 CA ALA A 15 8.493 17.054 11.498 1.00 25.00 C ATOM 260 C ALA A 15 9.984 17.105 11.126 1.00 25.00 C ATOM 261 O ALA A 15 10.761 16.227 11.504 1.00 25.00 O ATOM 262 CB ALA A 15 8.143 15.715 12.182 1.00 25.00 C ATOM 0 H ALA A 15 7.686 16.445 9.668 1.00 25.00 H new ATOM 0 HA ALA A 15 8.300 17.871 12.194 1.00 25.00 H new ATOM 0 HB1 ALA A 15 8.769 15.583 13.065 1.00 25.00 H new ATOM 0 HB2 ALA A 15 7.094 15.721 12.478 1.00 25.00 H new ATOM 0 HB3 ALA A 15 8.319 14.894 11.487 1.00 25.00 H new ATOM 268 N LYS A 16 10.355 18.141 10.317 1.00 25.00 N ATOM 269 CA LYS A 16 11.749 18.383 9.836 1.00 25.00 C ATOM 270 C LYS A 16 11.983 19.843 9.350 1.00 25.00 C ATOM 271 O LYS A 16 12.460 20.128 8.259 1.00 25.00 O ATOM 272 CB LYS A 16 12.142 17.327 8.748 1.00 25.00 C ATOM 273 CG LYS A 16 13.685 17.167 8.633 1.00 25.00 C ATOM 274 CD LYS A 16 14.169 16.835 7.184 1.00 25.00 C ATOM 275 CE LYS A 16 14.026 18.019 6.171 1.00 25.00 C ATOM 276 NZ LYS A 16 14.866 19.181 6.595 1.00 25.00 N ATOM 0 H LYS A 16 9.690 18.836 9.978 1.00 25.00 H new ATOM 0 HA LYS A 16 12.413 18.256 10.691 1.00 25.00 H new ATOM 0 HB2 LYS A 16 11.694 16.365 8.996 1.00 25.00 H new ATOM 0 HB3 LYS A 16 11.734 17.629 7.783 1.00 25.00 H new ATOM 0 HG2 LYS A 16 14.164 18.088 8.966 1.00 25.00 H new ATOM 0 HG3 LYS A 16 14.012 16.376 9.307 1.00 25.00 H new ATOM 0 HD2 LYS A 16 15.215 16.530 7.224 1.00 25.00 H new ATOM 0 HD3 LYS A 16 13.602 15.982 6.811 1.00 25.00 H new ATOM 0 HE2 LYS A 16 14.326 17.691 5.176 1.00 25.00 H new ATOM 0 HE3 LYS A 16 12.982 18.324 6.105 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 15.132 19.740 5.760 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 14.326 19.778 7.254 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 15.725 18.834 7.067 1.00 25.00 H new TER 290 LYS A 16 HETATM 291 N NH2 A 101 11.674 20.820 10.305 1.00 25.00 N