USER MOD reduce.3.24.130724 H: found=0, std=0, add=167, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 165 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ -177:sc= -0.311 (180deg=-0.385) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.011 -0.816 -0.553 1.00 0.00 N ATOM 2 CA VAL A 1 2.506 -0.459 -1.877 1.00 0.00 C ATOM 3 C VAL A 1 2.299 -1.599 -2.867 1.00 0.00 C ATOM 4 O VAL A 1 2.119 -1.371 -4.063 1.00 0.00 O ATOM 5 CB VAL A 1 4.002 -0.094 -1.837 1.00 0.00 C ATOM 6 CG1 VAL A 1 4.840 -1.313 -1.483 1.00 0.00 C ATOM 7 CG2 VAL A 1 4.441 0.498 -3.167 1.00 0.00 C ATOM 0 H1 VAL A 1 2.118 -0.004 0.088 1.00 0.00 H new ATOM 0 H2 VAL A 1 1.006 -1.077 -0.617 1.00 0.00 H new ATOM 0 H3 VAL A 1 2.555 -1.622 -0.185 1.00 0.00 H new ATOM 0 HA VAL A 1 1.936 0.410 -2.204 1.00 0.00 H new ATOM 0 HB VAL A 1 4.154 0.658 -1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 1 5.894 -1.036 -1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 1 4.542 -1.688 -0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 1 4.686 -2.090 -2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 1 5.500 0.750 -3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 1 4.275 -0.230 -3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 1 3.862 1.398 -3.373 1.00 0.00 H new ATOM 17 N SER A 2 2.324 -2.828 -2.361 1.00 0.00 N ATOM 18 CA SER A 2 2.142 -4.005 -3.201 1.00 0.00 C ATOM 19 C SER A 2 0.663 -4.242 -3.492 1.00 0.00 C ATOM 20 O SER A 2 0.309 -4.938 -4.444 1.00 0.00 O ATOM 21 CB SER A 2 2.744 -5.239 -2.526 1.00 0.00 C ATOM 22 OG SER A 2 2.754 -6.349 -3.406 1.00 0.00 O ATOM 0 H SER A 2 2.469 -3.034 -1.373 1.00 0.00 H new ATOM 0 HA SER A 2 2.657 -3.829 -4.145 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.761 -5.020 -2.201 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.170 -5.485 -1.633 1.00 0.00 H new ATOM 0 HG SER A 2 3.145 -7.124 -2.951 1.00 0.00 H new ATOM 28 N VAL A 3 -0.197 -3.658 -2.664 1.00 0.00 N ATOM 29 CA VAL A 3 -1.638 -3.804 -2.831 1.00 0.00 C ATOM 30 C VAL A 3 -2.171 -2.828 -3.875 1.00 0.00 C ATOM 31 O VAL A 3 -3.260 -3.018 -4.418 1.00 0.00 O ATOM 32 CB VAL A 3 -2.383 -3.575 -1.503 1.00 0.00 C ATOM 33 CG1 VAL A 3 -3.865 -3.878 -1.663 1.00 0.00 C ATOM 34 CG2 VAL A 3 -1.773 -4.423 -0.397 1.00 0.00 C ATOM 0 H VAL A 3 0.079 -3.079 -1.871 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.816 -4.825 -3.167 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.279 -2.526 -1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.375 -3.711 -0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.290 -3.224 -2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.993 -4.917 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.312 -4.249 0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.844 -5.477 -0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.725 -4.152 -0.266 1.00 0.00 H new ATOM 44 N ASP A 4 -1.397 -1.785 -4.151 1.00 0.00 N ATOM 45 CA ASP A 4 -1.791 -0.780 -5.132 1.00 0.00 C ATOM 46 C ASP A 4 -1.910 -1.395 -6.523 1.00 0.00 C ATOM 47 O ASP A 4 -2.931 -1.267 -7.199 1.00 0.00 O ATOM 48 CB ASP A 4 -0.778 0.367 -5.153 1.00 0.00 C ATOM 49 CG ASP A 4 -1.421 1.713 -4.882 1.00 0.00 C ATOM 50 OD1 ASP A 4 -2.359 1.767 -4.060 1.00 0.00 O ATOM 51 OD2 ASP A 4 -0.986 2.711 -5.492 1.00 0.00 O ATOM 0 H ASP A 4 -0.494 -1.613 -3.710 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.766 -0.389 -4.843 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -0.006 0.180 -4.407 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -0.283 0.393 -6.124 1.00 0.00 H new ATOM 56 N PRO A 5 -0.843 -2.078 -6.962 1.00 0.00 N ATOM 57 CA PRO A 5 -0.804 -2.726 -8.276 1.00 0.00 C ATOM 58 C PRO A 5 -1.732 -3.933 -8.355 1.00 0.00 C ATOM 59 O PRO A 5 -1.911 -4.522 -9.421 1.00 0.00 O ATOM 60 CB PRO A 5 0.656 -3.164 -8.412 1.00 0.00 C ATOM 61 CG PRO A 5 1.140 -3.311 -7.011 1.00 0.00 C ATOM 62 CD PRO A 5 0.408 -2.271 -6.209 1.00 0.00 C ATOM 0 HA PRO A 5 -1.139 -2.058 -9.070 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.738 -4.103 -8.960 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.242 -2.424 -8.958 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.936 -4.312 -6.631 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.218 -3.161 -6.953 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.216 -2.610 -5.191 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.979 -1.346 -6.134 1.00 0.00 H new ATOM 70 N PHE A 6 -2.320 -4.297 -7.220 1.00 0.00 N ATOM 71 CA PHE A 6 -3.230 -5.435 -7.161 1.00 0.00 C ATOM 72 C PHE A 6 -4.679 -4.968 -7.062 1.00 0.00 C ATOM 73 O PHE A 6 -5.609 -5.769 -7.160 1.00 0.00 O ATOM 74 CB PHE A 6 -2.887 -6.328 -5.967 1.00 0.00 C ATOM 75 CG PHE A 6 -2.076 -7.537 -6.336 1.00 0.00 C ATOM 76 CD1 PHE A 6 -2.697 -8.703 -6.753 1.00 0.00 C ATOM 77 CD2 PHE A 6 -0.692 -7.507 -6.266 1.00 0.00 C ATOM 78 CE1 PHE A 6 -1.953 -9.817 -7.092 1.00 0.00 C ATOM 79 CE2 PHE A 6 0.057 -8.618 -6.604 1.00 0.00 C ATOM 80 CZ PHE A 6 -0.574 -9.774 -7.019 1.00 0.00 C ATOM 0 H PHE A 6 -2.183 -3.820 -6.329 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.114 -6.009 -8.080 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.336 -5.742 -5.231 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.811 -6.652 -5.489 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.775 -8.742 -6.814 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -0.193 -6.605 -5.944 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.449 -10.721 -7.414 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.135 -8.582 -6.544 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.009 -10.643 -7.286 1.00 0.00 H new ATOM 90 N TYR A 7 -4.863 -3.667 -6.865 1.00 0.00 N ATOM 91 CA TYR A 7 -6.199 -3.093 -6.749 1.00 0.00 C ATOM 92 C TYR A 7 -7.016 -3.356 -8.010 1.00 0.00 C ATOM 93 O TYR A 7 -8.110 -3.917 -7.947 1.00 0.00 O ATOM 94 CB TYR A 7 -6.109 -1.588 -6.491 1.00 0.00 C ATOM 95 CG TYR A 7 -6.190 -1.219 -5.027 1.00 0.00 C ATOM 96 CD1 TYR A 7 -7.125 -1.816 -4.191 1.00 0.00 C ATOM 97 CD2 TYR A 7 -5.332 -0.272 -4.480 1.00 0.00 C ATOM 98 CE1 TYR A 7 -7.204 -1.481 -2.853 1.00 0.00 C ATOM 99 CE2 TYR A 7 -5.403 0.067 -3.143 1.00 0.00 C ATOM 100 CZ TYR A 7 -6.340 -0.540 -2.333 1.00 0.00 C ATOM 101 OH TYR A 7 -6.415 -0.203 -1.001 1.00 0.00 O ATOM 0 H TYR A 7 -4.104 -2.990 -6.782 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.700 -3.570 -5.907 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.171 -1.213 -6.900 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -6.914 -1.087 -7.029 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.802 -2.555 -4.594 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -4.598 0.207 -5.111 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.938 -1.953 -2.218 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.728 0.804 -2.734 1.00 0.00 H new ATOM 0 HH TYR A 7 -5.736 0.473 -0.796 1.00 0.00 H new ATOM 111 N GLU A 8 -6.477 -2.946 -9.154 1.00 0.00 N ATOM 112 CA GLU A 8 -7.156 -3.137 -10.430 1.00 0.00 C ATOM 113 C GLU A 8 -7.407 -4.619 -10.696 1.00 0.00 C ATOM 114 O GLU A 8 -8.274 -4.979 -11.492 1.00 0.00 O ATOM 115 CB GLU A 8 -6.328 -2.537 -11.568 1.00 0.00 C ATOM 116 CG GLU A 8 -5.012 -3.256 -11.809 1.00 0.00 C ATOM 117 CD GLU A 8 -3.817 -2.326 -11.737 1.00 0.00 C ATOM 118 OE1 GLU A 8 -3.847 -1.384 -10.917 1.00 0.00 O ATOM 119 OE2 GLU A 8 -2.852 -2.538 -12.501 1.00 0.00 O ATOM 0 H GLU A 8 -5.572 -2.480 -9.223 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.118 -2.626 -10.381 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.917 -2.559 -12.485 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.124 -1.490 -11.345 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.895 -4.049 -11.071 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.037 -3.734 -12.788 1.00 0.00 H new ATOM 126 N MET A 9 -6.642 -5.473 -10.024 1.00 0.00 N ATOM 127 CA MET A 9 -6.782 -6.915 -10.187 1.00 0.00 C ATOM 128 C MET A 9 -7.939 -7.448 -9.347 1.00 0.00 C ATOM 129 O MET A 9 -8.915 -7.976 -9.880 1.00 0.00 O ATOM 130 CB MET A 9 -5.484 -7.623 -9.794 1.00 0.00 C ATOM 131 CG MET A 9 -4.231 -6.885 -10.239 1.00 0.00 C ATOM 132 SD MET A 9 -4.163 -6.645 -12.024 1.00 0.00 S ATOM 133 CE MET A 9 -2.393 -6.632 -12.297 1.00 0.00 C ATOM 0 H MET A 9 -5.919 -5.191 -9.362 1.00 0.00 H new ATOM 0 HA MET A 9 -6.995 -7.117 -11.237 1.00 0.00 H new ATOM 0 HB2 MET A 9 -5.459 -7.744 -8.711 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.480 -8.623 -10.227 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.191 -5.915 -9.744 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.352 -7.443 -9.918 1.00 0.00 H new ATOM 0 HE1 MET A 9 -2.190 -6.491 -13.359 1.00 0.00 H new ATOM 0 HE2 MET A 9 -1.943 -5.817 -11.730 1.00 0.00 H new ATOM 0 HE3 MET A 9 -1.967 -7.580 -11.968 1.00 0.00 H new ATOM 143 N LEU A 10 -7.823 -7.306 -8.031 1.00 0.00 N ATOM 144 CA LEU A 10 -8.859 -7.773 -7.117 1.00 0.00 C ATOM 145 C LEU A 10 -10.173 -7.035 -7.360 1.00 0.00 C ATOM 146 O LEU A 10 -11.239 -7.647 -7.410 1.00 0.00 O ATOM 147 CB LEU A 10 -8.413 -7.578 -5.667 1.00 0.00 C ATOM 148 CG LEU A 10 -7.012 -8.085 -5.322 1.00 0.00 C ATOM 149 CD1 LEU A 10 -6.383 -7.220 -4.241 1.00 0.00 C ATOM 150 CD2 LEU A 10 -7.066 -9.540 -4.880 1.00 0.00 C ATOM 0 H LEU A 10 -7.022 -6.871 -7.573 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.020 -8.835 -7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.461 -6.514 -5.433 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.130 -8.080 -5.017 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.392 -8.021 -6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.387 -7.596 -4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.310 -6.192 -4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.001 -7.252 -3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.060 -9.884 -4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.702 -9.629 -3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.475 -10.150 -5.686 1.00 0.00 H new ATOM 162 N ALA A 11 -10.086 -5.718 -7.513 1.00 0.00 N ATOM 163 CA ALA A 11 -11.266 -4.898 -7.755 1.00 0.00 C ATOM 164 C ALA A 11 -11.843 -5.162 -9.142 1.00 0.00 C ATOM 165 O ALA A 11 -12.890 -5.795 -9.279 1.00 0.00 O ATOM 166 CB ALA A 11 -10.927 -3.423 -7.595 1.00 0.00 C ATOM 0 H ALA A 11 -9.210 -5.196 -7.474 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.022 -5.168 -7.018 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.818 -2.823 -7.779 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.569 -3.240 -6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.151 -3.148 -8.309 1.00 0.00 H new ATOM 172 N ALA A 12 -11.154 -4.673 -10.167 1.00 0.00 N ATOM 173 CA ALA A 12 -11.597 -4.858 -11.543 1.00 0.00 C ATOM 174 C ALA A 12 -11.476 -6.318 -11.968 1.00 0.00 C ATOM 175 O ALA A 12 -10.422 -6.934 -11.812 1.00 0.00 O ATOM 176 CB ALA A 12 -10.797 -3.966 -12.480 1.00 0.00 C ATOM 0 H ALA A 12 -10.286 -4.145 -10.071 1.00 0.00 H new ATOM 0 HA ALA A 12 -12.648 -4.576 -11.600 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.139 -4.115 -13.504 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.939 -2.923 -12.198 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.739 -4.220 -12.410 1.00 0.00 H new ATOM 182 N ARG A 13 -12.562 -6.865 -12.504 1.00 0.00 N ATOM 183 CA ARG A 13 -12.577 -8.254 -12.949 1.00 0.00 C ATOM 184 C ARG A 13 -11.926 -8.392 -14.322 1.00 0.00 C ATOM 185 O ARG A 13 -11.809 -9.494 -14.858 1.00 0.00 O ATOM 186 CB ARG A 13 -14.013 -8.780 -12.998 1.00 0.00 C ATOM 187 CG ARG A 13 -14.865 -8.337 -11.820 1.00 0.00 C ATOM 188 CD ARG A 13 -16.318 -8.750 -11.997 1.00 0.00 C ATOM 189 NE ARG A 13 -16.864 -9.363 -10.789 1.00 0.00 N ATOM 190 CZ ARG A 13 -16.464 -10.538 -10.316 1.00 0.00 C ATOM 191 NH1 ARG A 13 -15.521 -11.224 -10.946 1.00 0.00 N ATOM 192 NH2 ARG A 13 -17.009 -11.030 -9.211 1.00 0.00 N ATOM 0 H ARG A 13 -13.442 -6.368 -12.641 1.00 0.00 H new ATOM 0 HA ARG A 13 -12.005 -8.845 -12.234 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -14.483 -8.443 -13.922 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -13.991 -9.869 -13.030 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -14.471 -8.772 -10.901 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -14.804 -7.254 -11.712 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -16.914 -7.876 -12.261 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -16.397 -9.452 -12.827 1.00 0.00 H new ATOM 0 HE ARG A 13 -17.592 -8.861 -10.281 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.100 -10.850 -11.797 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -15.216 -12.126 -10.580 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -17.736 -10.506 -8.724 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.701 -11.932 -8.849 1.00 0.00 H new ATOM 206 N LYS A 14 -11.504 -7.265 -14.886 1.00 0.00 N ATOM 207 CA LYS A 14 -10.863 -7.259 -16.196 1.00 0.00 C ATOM 208 C LYS A 14 -9.597 -8.110 -16.187 1.00 0.00 C ATOM 209 O LYS A 14 -9.117 -8.539 -17.237 1.00 0.00 O ATOM 210 CB LYS A 14 -10.525 -5.826 -16.614 1.00 0.00 C ATOM 211 CG LYS A 14 -11.647 -5.130 -17.365 1.00 0.00 C ATOM 212 CD LYS A 14 -12.661 -4.521 -16.412 1.00 0.00 C ATOM 213 CE LYS A 14 -12.190 -3.175 -15.882 1.00 0.00 C ATOM 214 NZ LYS A 14 -13.290 -2.426 -15.215 1.00 0.00 N ATOM 0 H LYS A 14 -11.594 -6.344 -14.456 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.561 -7.686 -16.916 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.280 -5.245 -15.725 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.634 -5.840 -17.241 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.231 -4.350 -18.002 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.145 -5.844 -18.020 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.615 -4.398 -16.924 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.833 -5.202 -15.578 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.374 -3.328 -15.175 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.792 -2.580 -16.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.929 -1.515 -14.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.058 -2.257 -15.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.653 -2.982 -14.415 1.00 0.00 H new ATOM 228 N LYS A 15 -9.061 -8.352 -14.996 1.00 0.00 N ATOM 229 CA LYS A 15 -7.853 -9.154 -14.849 1.00 0.00 C ATOM 230 C LYS A 15 -8.068 -10.566 -15.383 1.00 0.00 C ATOM 231 O LYS A 15 -7.400 -10.992 -16.325 1.00 0.00 O ATOM 232 CB LYS A 15 -7.430 -9.212 -13.379 1.00 0.00 C ATOM 233 CG LYS A 15 -5.930 -9.345 -13.182 1.00 0.00 C ATOM 234 CD LYS A 15 -5.474 -10.787 -13.330 1.00 0.00 C ATOM 235 CE LYS A 15 -4.143 -10.879 -14.062 1.00 0.00 C ATOM 236 NZ LYS A 15 -3.469 -12.185 -13.825 1.00 0.00 N ATOM 0 H LYS A 15 -9.445 -8.004 -14.118 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.061 -8.682 -15.430 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.776 -8.310 -12.874 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.927 -10.055 -12.900 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.410 -8.721 -13.909 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.658 -8.976 -12.193 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.381 -11.243 -12.344 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.229 -11.355 -13.874 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.306 -10.743 -15.131 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.491 -10.069 -13.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.566 -12.208 -14.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.290 -12.304 -12.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.080 -12.957 -14.161 1.00 0.00 H new ATOM 250 N ARG A 16 -9.006 -11.287 -14.776 1.00 0.00 N ATOM 251 CA ARG A 16 -9.309 -12.651 -15.191 1.00 0.00 C ATOM 252 C ARG A 16 -9.816 -12.681 -16.630 1.00 0.00 C ATOM 253 O ARG A 16 -9.781 -13.720 -17.289 1.00 0.00 O ATOM 254 CB ARG A 16 -10.352 -13.270 -14.259 1.00 0.00 C ATOM 255 CG ARG A 16 -11.758 -12.736 -14.476 1.00 0.00 C ATOM 256 CD ARG A 16 -12.459 -12.458 -13.156 1.00 0.00 C ATOM 257 NE ARG A 16 -13.782 -13.075 -13.098 1.00 0.00 N ATOM 258 CZ ARG A 16 -13.978 -14.386 -13.012 1.00 0.00 C ATOM 259 NH1 ARG A 16 -12.943 -15.214 -12.974 1.00 0.00 N ATOM 260 NH2 ARG A 16 -15.212 -14.872 -12.964 1.00 0.00 N ATOM 0 H ARG A 16 -9.569 -10.949 -13.995 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.390 -13.234 -15.135 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.357 -14.351 -14.401 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.058 -13.086 -13.226 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.713 -11.820 -15.065 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.337 -13.458 -15.052 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.848 -12.833 -12.335 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.555 -11.381 -13.016 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.600 -12.466 -13.125 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.993 -14.845 -13.011 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.097 -16.220 -12.908 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -16.011 -14.239 -12.993 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.361 -15.879 -12.898 1.00 0.00 H new ATOM 274 N ILE A 17 -10.288 -11.535 -17.110 1.00 0.00 N ATOM 275 CA ILE A 17 -10.802 -11.431 -18.470 1.00 0.00 C ATOM 276 C ILE A 17 -9.666 -11.278 -19.476 1.00 0.00 C ATOM 277 O ILE A 17 -9.704 -11.855 -20.563 1.00 0.00 O ATOM 278 CB ILE A 17 -11.767 -10.240 -18.618 1.00 0.00 C ATOM 279 CG1 ILE A 17 -12.940 -10.382 -17.645 1.00 0.00 C ATOM 280 CG2 ILE A 17 -12.269 -10.139 -20.050 1.00 0.00 C ATOM 281 CD1 ILE A 17 -13.684 -9.088 -17.403 1.00 0.00 C ATOM 0 H ILE A 17 -10.325 -10.666 -16.577 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.344 -12.354 -18.674 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.228 -9.323 -18.378 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.636 -11.125 -18.034 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.568 -10.761 -16.693 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -12.950 -9.292 -20.138 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.423 -9.996 -20.723 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.794 -11.056 -20.317 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.502 -9.264 -16.704 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -13.001 -8.349 -16.984 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -14.086 -8.718 -18.346 1.00 0.00 H new ATOM 293 N SER A 18 -8.655 -10.499 -19.105 1.00 0.00 N ATOM 294 CA SER A 18 -7.508 -10.269 -19.976 1.00 0.00 C ATOM 295 C SER A 18 -6.524 -11.432 -19.898 1.00 0.00 C ATOM 296 O SER A 18 -5.482 -11.424 -20.552 1.00 0.00 O ATOM 297 CB SER A 18 -6.805 -8.965 -19.595 1.00 0.00 C ATOM 298 OG SER A 18 -7.362 -7.863 -20.290 1.00 0.00 O ATOM 0 H SER A 18 -8.607 -10.017 -18.208 1.00 0.00 H new ATOM 0 HA SER A 18 -7.871 -10.192 -21.001 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.891 -8.802 -18.521 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.742 -9.042 -19.822 1.00 0.00 H new ATOM 0 HG SER A 18 -6.896 -7.042 -20.028 1.00 0.00 H new ATOM 304 N VAL A 19 -6.864 -12.433 -19.091 1.00 0.00 N ATOM 305 CA VAL A 19 -6.012 -13.605 -18.927 1.00 0.00 C ATOM 306 C VAL A 19 -5.792 -14.315 -20.258 1.00 0.00 C ATOM 307 O VAL A 19 -6.608 -14.208 -21.174 1.00 0.00 O ATOM 308 CB VAL A 19 -6.617 -14.601 -17.920 1.00 0.00 C ATOM 309 CG1 VAL A 19 -7.776 -15.360 -18.549 1.00 0.00 C ATOM 310 CG2 VAL A 19 -5.551 -15.562 -17.416 1.00 0.00 C ATOM 0 H VAL A 19 -7.723 -12.455 -18.541 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.055 -13.250 -18.546 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.001 -14.041 -17.068 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.190 -16.059 -17.822 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.549 -14.655 -18.856 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.420 -15.911 -19.420 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.996 -16.259 -16.705 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.135 -16.117 -18.257 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.757 -15.000 -16.924 1.00 0.00 H new