USER MOD reduce.3.24.130724 H: found=0, std=0, add=188, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 189 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 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -61:sc= 1.28 USER MOD Single : A 10 SER OG : rot 95:sc= 0.766 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= 0.82 (180deg=0.686) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 3 37.432 18.251 17.133 1.00 10.00 N ATOM 19 CA ASP A 3 37.278 19.343 18.141 1.00 10.00 C ATOM 20 C ASP A 3 37.533 20.788 17.654 1.00 10.00 C ATOM 21 O ASP A 3 37.122 21.797 18.276 1.00 10.00 O ATOM 22 CB ASP A 3 38.017 19.001 19.498 1.00 10.00 C ATOM 23 CG ASP A 3 37.554 19.764 20.719 1.00 10.00 C ATOM 24 OD1 ASP A 3 36.284 19.980 20.837 1.00 10.00 O ATOM 25 OD2 ASP A 3 38.380 20.071 21.607 1.00 10.00 O ATOM 0 HA ASP A 3 36.205 19.361 18.334 1.00 10.00 H new ATOM 0 HB2 ASP A 3 37.898 17.935 19.694 1.00 10.00 H new ATOM 0 HB3 ASP A 3 39.083 19.183 19.363 1.00 10.00 H new ATOM 30 N ALA A 4 38.034 20.959 16.417 1.00 10.00 N ATOM 31 CA ALA A 4 38.113 22.274 15.760 1.00 10.00 C ATOM 32 C ALA A 4 36.663 22.759 15.428 1.00 10.00 C ATOM 33 O ALA A 4 36.314 23.928 15.701 1.00 10.00 O ATOM 34 CB ALA A 4 38.959 22.052 14.496 1.00 10.00 C ATOM 0 H ALA A 4 38.394 20.193 15.848 1.00 10.00 H new ATOM 0 HA ALA A 4 38.568 23.044 16.383 1.00 10.00 H new ATOM 0 HB1 ALA A 4 39.059 22.993 13.955 1.00 10.00 H new ATOM 0 HB2 ALA A 4 39.947 21.689 14.779 1.00 10.00 H new ATOM 0 HB3 ALA A 4 38.471 21.316 13.856 1.00 10.00 H new ATOM 40 N ALA A 5 35.806 21.835 15.028 1.00 10.00 N ATOM 41 CA ALA A 5 34.389 22.111 14.649 1.00 10.00 C ATOM 42 C ALA A 5 33.487 22.479 15.853 1.00 10.00 C ATOM 43 O ALA A 5 32.410 23.046 15.709 1.00 10.00 O ATOM 44 CB ALA A 5 33.873 20.899 13.880 1.00 10.00 C ATOM 0 H ALA A 5 36.058 20.850 14.949 1.00 10.00 H new ATOM 0 HA ALA A 5 34.355 22.999 14.018 1.00 10.00 H new ATOM 0 HB1 ALA A 5 32.837 21.068 13.587 1.00 10.00 H new ATOM 0 HB2 ALA A 5 34.482 20.747 12.989 1.00 10.00 H new ATOM 0 HB3 ALA A 5 33.931 20.014 14.514 1.00 10.00 H new ATOM 50 N VAL A 6 34.000 22.113 17.028 1.00 10.00 N ATOM 51 CA VAL A 6 33.424 22.360 18.384 1.00 10.00 C ATOM 52 C VAL A 6 34.251 23.455 19.114 1.00 10.00 C ATOM 53 O VAL A 6 33.957 23.759 20.302 1.00 10.00 O ATOM 54 CB VAL A 6 33.271 21.022 19.141 1.00 10.00 C ATOM 55 CG1 VAL A 6 32.288 21.078 20.262 1.00 10.00 C ATOM 56 CG2 VAL A 6 32.655 19.904 18.294 1.00 10.00 C ATOM 0 H VAL A 6 34.882 21.604 17.080 1.00 10.00 H new ATOM 0 HA VAL A 6 32.413 22.764 18.320 1.00 10.00 H new ATOM 0 HB VAL A 6 34.299 20.836 19.453 1.00 10.00 H new ATOM 0 HG11 VAL A 6 32.233 20.103 20.747 1.00 10.00 H new ATOM 0 HG12 VAL A 6 32.606 21.827 20.987 1.00 10.00 H new ATOM 0 HG13 VAL A 6 31.306 21.344 19.872 1.00 10.00 H new ATOM 0 HG21 VAL A 6 32.578 18.995 18.891 1.00 10.00 H new ATOM 0 HG22 VAL A 6 31.661 20.205 17.962 1.00 10.00 H new ATOM 0 HG23 VAL A 6 33.286 19.715 17.426 1.00 10.00 H new ATOM 66 N ASP A 7 35.215 24.076 18.412 1.00 10.00 N ATOM 67 CA ASP A 7 36.093 25.214 18.841 1.00 10.00 C ATOM 68 C ASP A 7 37.010 25.018 20.092 1.00 10.00 C ATOM 69 O ASP A 7 36.987 25.710 21.102 1.00 10.00 O ATOM 70 CB ASP A 7 35.396 26.521 19.144 1.00 10.00 C ATOM 71 CG ASP A 7 36.337 27.797 19.322 1.00 10.00 C ATOM 72 OD1 ASP A 7 37.547 27.782 19.044 1.00 10.00 O ATOM 73 OD2 ASP A 7 35.832 28.917 19.664 1.00 10.00 O ATOM 0 H ASP A 7 35.428 23.785 17.458 1.00 10.00 H new ATOM 0 HA ASP A 7 36.683 25.239 17.925 1.00 10.00 H new ATOM 0 HB2 ASP A 7 34.689 26.726 18.340 1.00 10.00 H new ATOM 0 HB3 ASP A 7 34.814 26.395 20.057 1.00 10.00 H new ATOM 78 N THR A 8 37.782 23.877 20.067 1.00 10.00 N ATOM 79 CA THR A 8 38.696 23.415 21.166 1.00 10.00 C ATOM 80 C THR A 8 37.931 23.263 22.507 1.00 10.00 C ATOM 81 O THR A 8 38.399 23.698 23.603 1.00 10.00 O ATOM 82 CB THR A 8 40.076 24.154 21.292 1.00 10.00 C ATOM 83 OG1 THR A 8 40.607 24.332 19.997 1.00 10.00 O ATOM 84 CG2 THR A 8 41.088 23.554 22.126 1.00 10.00 C ATOM 0 H THR A 8 37.783 23.245 19.267 1.00 10.00 H new ATOM 0 HA THR A 8 39.021 22.422 20.855 1.00 10.00 H new ATOM 0 HB THR A 8 39.832 25.084 21.805 1.00 10.00 H new ATOM 0 HG1 THR A 8 41.469 24.794 20.058 1.00 10.00 H new ATOM 0 HG21 THR A 8 41.983 24.175 22.116 1.00 10.00 H new ATOM 0 HG22 THR A 8 40.716 23.471 23.147 1.00 10.00 H new ATOM 0 HG23 THR A 8 41.331 22.561 21.747 1.00 10.00 H new ATOM 92 N SER A 9 36.761 22.563 22.542 1.00 10.00 N ATOM 93 CA SER A 9 35.871 22.333 23.727 1.00 10.00 C ATOM 94 C SER A 9 36.595 21.400 24.741 1.00 10.00 C ATOM 95 O SER A 9 36.391 21.584 25.986 1.00 10.00 O ATOM 96 CB SER A 9 34.559 21.721 23.259 1.00 10.00 C ATOM 97 OG SER A 9 34.826 20.345 23.048 1.00 10.00 O ATOM 0 H SER A 9 36.390 22.119 21.702 1.00 10.00 H new ATOM 0 HA SER A 9 35.652 23.278 24.224 1.00 10.00 H new ATOM 0 HB2 SER A 9 33.776 21.857 24.005 1.00 10.00 H new ATOM 0 HB3 SER A 9 34.211 22.197 22.342 1.00 10.00 H new ATOM 0 HG SER A 9 35.510 20.247 22.353 1.00 10.00 H new ATOM 103 N SER A 10 37.550 20.608 24.302 1.00 10.00 N ATOM 104 CA SER A 10 38.189 19.625 25.193 1.00 10.00 C ATOM 105 C SER A 10 39.147 20.377 26.179 1.00 10.00 C ATOM 106 O SER A 10 39.549 19.797 27.168 1.00 10.00 O ATOM 107 CB SER A 10 39.015 18.600 24.426 1.00 10.00 C ATOM 108 OG SER A 10 38.249 18.064 23.377 1.00 10.00 O ATOM 0 H SER A 10 37.908 20.614 23.347 1.00 10.00 H new ATOM 0 HA SER A 10 37.394 19.100 25.723 1.00 10.00 H new ATOM 0 HB2 SER A 10 39.916 19.068 24.029 1.00 10.00 H new ATOM 0 HB3 SER A 10 39.338 17.804 25.097 1.00 10.00 H new ATOM 0 HG SER A 10 38.437 18.556 22.550 1.00 10.00 H new ATOM 114 N GLU A 11 39.559 21.624 25.945 1.00 10.00 N ATOM 115 CA GLU A 11 40.244 22.396 27.021 1.00 10.00 C ATOM 116 C GLU A 11 39.247 23.098 27.901 1.00 10.00 C ATOM 117 O GLU A 11 39.529 23.319 29.095 1.00 10.00 O ATOM 118 CB GLU A 11 41.291 23.410 26.396 1.00 10.00 C ATOM 119 CG GLU A 11 42.682 22.833 26.170 1.00 10.00 C ATOM 120 CD GLU A 11 43.775 23.944 25.997 1.00 10.00 C ATOM 121 OE1 GLU A 11 43.341 25.120 25.936 1.00 10.00 O ATOM 122 OE2 GLU A 11 45.014 23.585 25.966 1.00 10.00 O ATOM 0 H GLU A 11 39.444 22.119 25.061 1.00 10.00 H new ATOM 0 HA GLU A 11 40.793 21.697 27.651 1.00 10.00 H new ATOM 0 HB2 GLU A 11 40.903 23.770 25.443 1.00 10.00 H new ATOM 0 HB3 GLU A 11 41.374 24.275 27.053 1.00 10.00 H new ATOM 0 HG2 GLU A 11 42.948 22.195 27.013 1.00 10.00 H new ATOM 0 HG3 GLU A 11 42.669 22.200 25.283 1.00 10.00 H new ATOM 129 N ILE A 12 38.120 23.717 27.440 1.00 10.00 N ATOM 130 CA ILE A 12 37.210 24.552 28.264 1.00 10.00 C ATOM 131 C ILE A 12 36.133 23.771 29.080 1.00 10.00 C ATOM 132 O ILE A 12 35.590 24.294 30.019 1.00 10.00 O ATOM 133 CB ILE A 12 36.587 25.693 27.457 1.00 10.00 C ATOM 134 CG1 ILE A 12 35.771 24.908 26.344 1.00 10.00 C ATOM 135 CG2 ILE A 12 37.540 26.719 26.792 1.00 10.00 C ATOM 136 CD1 ILE A 12 34.485 25.703 26.171 1.00 10.00 C ATOM 0 H ILE A 12 37.819 23.645 26.468 1.00 10.00 H new ATOM 0 HA ILE A 12 37.866 24.981 29.022 1.00 10.00 H new ATOM 0 HB ILE A 12 36.021 26.338 28.129 1.00 10.00 H new ATOM 0 HG12 ILE A 12 36.330 24.852 25.410 1.00 10.00 H new ATOM 0 HG13 ILE A 12 35.564 23.884 26.654 1.00 10.00 H new ATOM 0 HG21 ILE A 12 36.954 27.466 26.257 1.00 10.00 H new ATOM 0 HG22 ILE A 12 38.139 27.209 27.559 1.00 10.00 H new ATOM 0 HG23 ILE A 12 38.198 26.204 26.092 1.00 10.00 H new ATOM 0 HD11 ILE A 12 33.861 25.226 25.415 1.00 10.00 H new ATOM 0 HD12 ILE A 12 33.947 25.735 27.118 1.00 10.00 H new ATOM 0 HD13 ILE A 12 34.725 26.718 25.855 1.00 10.00 H new ATOM 148 N THR A 13 35.885 22.500 28.724 1.00 10.00 N ATOM 149 CA THR A 13 34.793 21.696 29.235 1.00 10.00 C ATOM 150 C THR A 13 34.563 21.752 30.748 1.00 10.00 C ATOM 151 O THR A 13 33.437 21.488 31.134 1.00 10.00 O ATOM 152 CB THR A 13 35.096 20.298 28.849 1.00 10.00 C ATOM 153 OG1 THR A 13 34.151 19.356 29.338 1.00 10.00 O ATOM 154 CG2 THR A 13 36.513 19.818 29.116 1.00 10.00 C ATOM 0 H THR A 13 36.465 22.000 28.050 1.00 10.00 H new ATOM 0 HA THR A 13 33.874 22.097 28.808 1.00 10.00 H new ATOM 0 HB THR A 13 35.008 20.347 27.764 1.00 10.00 H new ATOM 0 HG1 THR A 13 34.407 18.455 29.048 1.00 10.00 H new ATOM 0 HG21 THR A 13 36.613 18.782 28.792 1.00 10.00 H new ATOM 0 HG22 THR A 13 37.218 20.440 28.565 1.00 10.00 H new ATOM 0 HG23 THR A 13 36.726 19.887 30.183 1.00 10.00 H new ATOM 162 N THR A 14 35.556 21.855 31.609 1.00 10.00 N ATOM 163 CA THR A 14 35.249 22.115 33.062 1.00 10.00 C ATOM 164 C THR A 14 34.295 23.300 33.310 1.00 10.00 C ATOM 165 O THR A 14 33.325 23.130 34.037 1.00 10.00 O ATOM 166 CB THR A 14 36.484 22.416 33.874 1.00 10.00 C ATOM 167 OG1 THR A 14 37.449 21.458 33.752 1.00 10.00 O ATOM 168 CG2 THR A 14 36.152 22.631 35.334 1.00 10.00 C ATOM 0 H THR A 14 36.546 21.773 31.377 1.00 10.00 H new ATOM 0 HA THR A 14 34.776 21.183 33.372 1.00 10.00 H new ATOM 0 HB THR A 14 36.888 23.341 33.463 1.00 10.00 H new ATOM 0 HG1 THR A 14 38.225 21.705 34.297 1.00 10.00 H new ATOM 0 HG21 THR A 14 37.066 22.845 35.887 1.00 10.00 H new ATOM 0 HG22 THR A 14 35.464 23.471 35.431 1.00 10.00 H new ATOM 0 HG23 THR A 14 35.686 21.732 35.737 1.00 10.00 H new ATOM 176 N LYS A 15 34.483 24.481 32.709 1.00 10.00 N ATOM 177 CA LYS A 15 33.674 25.745 32.709 1.00 10.00 C ATOM 178 C LYS A 15 32.195 25.284 32.364 1.00 10.00 C ATOM 179 O LYS A 15 31.245 25.413 33.172 1.00 10.00 O ATOM 180 CB LYS A 15 34.347 26.818 31.833 1.00 10.00 C ATOM 181 CG LYS A 15 35.737 27.164 32.395 1.00 10.00 C ATOM 182 CD LYS A 15 36.483 28.261 31.576 1.00 10.00 C ATOM 183 CE LYS A 15 37.709 28.677 32.326 1.00 10.00 C ATOM 184 NZ LYS A 15 38.881 28.965 31.439 1.00 10.00 N ATOM 0 H LYS A 15 35.313 24.608 32.129 1.00 10.00 H new ATOM 0 HA LYS A 15 33.620 26.273 33.661 1.00 10.00 H new ATOM 0 HB2 LYS A 15 34.440 26.457 30.809 1.00 10.00 H new ATOM 0 HB3 LYS A 15 33.726 27.713 31.800 1.00 10.00 H new ATOM 0 HG2 LYS A 15 35.630 27.501 33.426 1.00 10.00 H new ATOM 0 HG3 LYS A 15 36.347 26.261 32.417 1.00 10.00 H new ATOM 0 HD2 LYS A 15 36.755 27.877 30.593 1.00 10.00 H new ATOM 0 HD3 LYS A 15 35.831 29.119 31.414 1.00 10.00 H new ATOM 0 HE2 LYS A 15 37.481 29.566 32.915 1.00 10.00 H new ATOM 0 HE3 LYS A 15 37.980 27.890 33.029 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 39.696 29.247 32.021 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 39.123 28.112 30.895 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 38.640 29.736 30.784 1.00 10.00 H new ATOM 198 N ASP A 16 32.092 24.630 31.162 1.00 10.00 N ATOM 199 CA ASP A 16 30.839 24.102 30.689 1.00 10.00 C ATOM 200 C ASP A 16 30.082 23.102 31.718 1.00 10.00 C ATOM 201 O ASP A 16 28.867 23.019 31.791 1.00 10.00 O ATOM 202 CB ASP A 16 30.979 23.366 29.352 1.00 10.00 C ATOM 203 CG ASP A 16 29.706 22.881 28.696 1.00 10.00 C ATOM 204 OD1 ASP A 16 29.008 23.681 28.088 1.00 10.00 O ATOM 205 OD2 ASP A 16 29.439 21.633 28.741 1.00 10.00 O ATOM 0 H ASP A 16 32.878 24.474 30.531 1.00 10.00 H new ATOM 0 HA ASP A 16 30.230 24.999 30.578 1.00 10.00 H new ATOM 0 HB2 ASP A 16 31.489 24.029 28.653 1.00 10.00 H new ATOM 0 HB3 ASP A 16 31.629 22.505 29.506 1.00 10.00 H new ATOM 210 N LEU A 17 30.801 22.331 32.507 1.00 10.00 N ATOM 211 CA LEU A 17 30.289 21.365 33.448 1.00 10.00 C ATOM 212 C LEU A 17 29.887 22.044 34.716 1.00 10.00 C ATOM 213 O LEU A 17 28.954 21.579 35.353 1.00 10.00 O ATOM 214 CB LEU A 17 31.234 20.170 33.696 1.00 10.00 C ATOM 215 CG LEU A 17 31.207 19.396 32.387 1.00 10.00 C ATOM 216 CD1 LEU A 17 32.413 18.507 32.235 1.00 10.00 C ATOM 217 CD2 LEU A 17 29.961 18.496 32.178 1.00 10.00 C ATOM 0 H LEU A 17 31.820 22.367 32.506 1.00 10.00 H new ATOM 0 HA LEU A 17 29.403 20.921 32.994 1.00 10.00 H new ATOM 0 HB2 LEU A 17 32.242 20.504 33.941 1.00 10.00 H new ATOM 0 HB3 LEU A 17 30.890 19.556 34.529 1.00 10.00 H new ATOM 0 HG LEU A 17 31.189 20.188 31.639 1.00 10.00 H new ATOM 0 HD11 LEU A 17 32.354 17.973 31.287 1.00 10.00 H new ATOM 0 HD12 LEU A 17 33.318 19.115 32.253 1.00 10.00 H new ATOM 0 HD13 LEU A 17 32.442 17.789 33.055 1.00 10.00 H new ATOM 0 HD21 LEU A 17 30.037 17.987 31.217 1.00 10.00 H new ATOM 0 HD22 LEU A 17 29.908 17.756 32.977 1.00 10.00 H new ATOM 0 HD23 LEU A 17 29.061 19.111 32.193 1.00 10.00 H new ATOM 229 N LYS A 18 30.586 23.078 35.177 1.00 10.00 N ATOM 230 CA LYS A 18 30.153 23.999 36.272 1.00 10.00 C ATOM 231 C LYS A 18 29.045 24.843 35.858 1.00 10.00 C ATOM 232 O LYS A 18 28.408 25.375 36.767 1.00 10.00 O ATOM 233 CB LYS A 18 31.379 24.781 36.773 1.00 10.00 C ATOM 234 CG LYS A 18 31.983 24.014 37.930 1.00 10.00 C ATOM 235 CD LYS A 18 33.245 23.245 37.539 1.00 10.00 C ATOM 236 CE LYS A 18 34.032 22.503 38.623 1.00 10.00 C ATOM 237 NZ LYS A 18 34.730 23.366 39.602 1.00 10.00 N ATOM 0 H LYS A 18 31.501 23.322 34.799 1.00 10.00 H new ATOM 0 HA LYS A 18 29.760 23.425 37.111 1.00 10.00 H new ATOM 0 HB2 LYS A 18 32.109 24.899 35.972 1.00 10.00 H new ATOM 0 HB3 LYS A 18 31.089 25.783 37.090 1.00 10.00 H new ATOM 0 HG2 LYS A 18 32.222 24.709 38.735 1.00 10.00 H new ATOM 0 HG3 LYS A 18 31.244 23.315 38.321 1.00 10.00 H new ATOM 0 HD2 LYS A 18 32.963 22.515 36.780 1.00 10.00 H new ATOM 0 HD3 LYS A 18 33.926 23.951 37.064 1.00 10.00 H new ATOM 0 HE2 LYS A 18 33.347 21.850 39.163 1.00 10.00 H new ATOM 0 HE3 LYS A 18 34.769 21.862 38.139 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 35.232 22.772 40.292 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 35.413 23.972 39.105 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 34.036 23.961 40.098 1.00 10.00 H new ATOM 251 N GLU A 19 28.768 25.076 34.517 1.00 10.00 N ATOM 252 CA GLU A 19 27.512 25.640 34.097 1.00 10.00 C ATOM 253 C GLU A 19 26.348 24.617 34.140 1.00 10.00 C ATOM 254 O GLU A 19 25.266 24.859 34.626 1.00 10.00 O ATOM 255 CB GLU A 19 27.557 25.935 32.562 1.00 10.00 C ATOM 256 CG GLU A 19 26.678 27.019 32.115 1.00 10.00 C ATOM 257 CD GLU A 19 26.806 27.231 30.641 1.00 10.00 C ATOM 258 OE1 GLU A 19 27.845 27.755 30.159 1.00 10.00 O ATOM 259 OE2 GLU A 19 25.815 26.977 29.952 1.00 10.00 O ATOM 0 H GLU A 19 29.415 24.870 33.756 1.00 10.00 H new ATOM 0 HA GLU A 19 27.363 26.497 34.754 1.00 10.00 H new ATOM 0 HB2 GLU A 19 28.582 26.180 32.284 1.00 10.00 H new ATOM 0 HB3 GLU A 19 27.290 25.025 32.024 1.00 10.00 H new ATOM 0 HG2 GLU A 19 25.644 26.781 32.365 1.00 10.00 H new ATOM 0 HG3 GLU A 19 26.930 27.939 32.643 1.00 10.00 H new ATOM 266 N LYS A 20 26.635 23.343 33.782 1.00 10.00 N ATOM 267 CA LYS A 20 25.697 22.228 33.874 1.00 10.00 C ATOM 268 C LYS A 20 25.162 21.918 35.270 1.00 10.00 C ATOM 269 O LYS A 20 24.031 21.497 35.437 1.00 10.00 O ATOM 270 CB LYS A 20 26.209 20.954 33.300 1.00 10.00 C ATOM 271 CG LYS A 20 26.433 20.814 31.804 1.00 10.00 C ATOM 272 CD LYS A 20 25.585 21.655 30.865 1.00 10.00 C ATOM 273 CE LYS A 20 25.591 21.186 29.406 1.00 10.00 C ATOM 274 NZ LYS A 20 26.601 21.856 28.568 1.00 10.00 N ATOM 0 H LYS A 20 27.547 23.069 33.415 1.00 10.00 H new ATOM 0 HA LYS A 20 24.873 22.610 33.271 1.00 10.00 H new ATOM 0 HB2 LYS A 20 27.160 20.741 33.788 1.00 10.00 H new ATOM 0 HB3 LYS A 20 25.515 20.167 33.596 1.00 10.00 H new ATOM 0 HG2 LYS A 20 27.479 21.044 31.602 1.00 10.00 H new ATOM 0 HG3 LYS A 20 26.280 19.767 31.542 1.00 10.00 H new ATOM 0 HD2 LYS A 20 24.557 21.656 31.228 1.00 10.00 H new ATOM 0 HD3 LYS A 20 25.938 22.686 30.903 1.00 10.00 H new ATOM 0 HE2 LYS A 20 25.768 20.111 29.381 1.00 10.00 H new ATOM 0 HE3 LYS A 20 24.604 21.357 28.975 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 26.387 21.687 27.564 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 26.586 22.878 28.757 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 27.543 21.476 28.790 1.00 10.00 H new ATOM 288 N LYS A 21 26.017 22.170 36.289 1.00 10.00 N ATOM 289 CA LYS A 21 25.774 22.291 37.734 1.00 10.00 C ATOM 290 C LYS A 21 25.067 23.564 38.208 1.00 10.00 C ATOM 291 O LYS A 21 24.400 23.588 39.231 1.00 10.00 O ATOM 292 CB LYS A 21 27.121 22.142 38.467 1.00 10.00 C ATOM 293 CG LYS A 21 27.582 20.626 38.385 1.00 10.00 C ATOM 294 CD LYS A 21 28.979 20.569 39.026 1.00 10.00 C ATOM 295 CE LYS A 21 29.684 19.212 38.971 1.00 10.00 C ATOM 296 NZ LYS A 21 29.115 18.092 39.757 1.00 10.00 N ATOM 0 H LYS A 21 27.007 22.308 36.087 1.00 10.00 H new ATOM 0 HA LYS A 21 25.069 21.495 37.975 1.00 10.00 H new ATOM 0 HB2 LYS A 21 27.871 22.790 38.014 1.00 10.00 H new ATOM 0 HB3 LYS A 21 27.021 22.450 39.508 1.00 10.00 H new ATOM 0 HG2 LYS A 21 26.884 19.977 38.914 1.00 10.00 H new ATOM 0 HG3 LYS A 21 27.614 20.284 37.351 1.00 10.00 H new ATOM 0 HD2 LYS A 21 29.613 21.307 38.535 1.00 10.00 H new ATOM 0 HD3 LYS A 21 28.891 20.869 40.070 1.00 10.00 H new ATOM 0 HE2 LYS A 21 29.723 18.900 37.927 1.00 10.00 H new ATOM 0 HE3 LYS A 21 30.713 19.359 39.298 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 29.698 17.241 39.621 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 29.104 18.346 40.765 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 28.144 17.901 39.437 1.00 10.00 H new ATOM 310 N GLU A 22 25.234 24.685 37.497 1.00 10.00 N ATOM 311 CA GLU A 22 24.633 25.961 37.968 1.00 10.00 C ATOM 312 C GLU A 22 23.237 25.969 37.408 1.00 10.00 C ATOM 313 O GLU A 22 22.264 25.984 38.143 1.00 10.00 O ATOM 314 CB GLU A 22 25.542 27.147 37.574 1.00 10.00 C ATOM 315 CG GLU A 22 25.032 28.510 38.043 1.00 10.00 C ATOM 316 CD GLU A 22 25.990 29.723 37.700 1.00 10.00 C ATOM 317 OE1 GLU A 22 27.182 29.564 37.254 1.00 10.00 O ATOM 318 OE2 GLU A 22 25.626 30.857 38.071 1.00 10.00 O ATOM 0 H GLU A 22 25.758 24.748 36.624 1.00 10.00 H new ATOM 0 HA GLU A 22 24.559 26.059 39.051 1.00 10.00 H new ATOM 0 HB2 GLU A 22 26.536 26.981 37.988 1.00 10.00 H new ATOM 0 HB3 GLU A 22 25.648 27.165 36.489 1.00 10.00 H new ATOM 0 HG2 GLU A 22 24.057 28.694 37.591 1.00 10.00 H new ATOM 0 HG3 GLU A 22 24.882 28.476 39.122 1.00 10.00 H new ATOM 325 N VAL A 23 23.119 25.919 36.099 1.00 10.00 N ATOM 326 CA VAL A 23 21.872 25.568 35.399 1.00 10.00 C ATOM 327 C VAL A 23 21.137 24.401 36.075 1.00 10.00 C ATOM 328 O VAL A 23 19.900 24.584 36.172 1.00 10.00 O ATOM 329 CB VAL A 23 22.236 25.283 33.888 1.00 10.00 C ATOM 330 CG1 VAL A 23 22.554 23.848 33.488 1.00 10.00 C ATOM 331 CG2 VAL A 23 21.116 25.824 33.007 1.00 10.00 C ATOM 0 H VAL A 23 23.893 26.123 35.467 1.00 10.00 H new ATOM 0 HA VAL A 23 21.165 26.396 35.447 1.00 10.00 H new ATOM 0 HB VAL A 23 23.187 25.795 33.743 1.00 10.00 H new ATOM 0 HG11 VAL A 23 22.784 23.810 32.423 1.00 10.00 H new ATOM 0 HG12 VAL A 23 23.413 23.493 34.058 1.00 10.00 H new ATOM 0 HG13 VAL A 23 21.693 23.213 33.696 1.00 10.00 H new ATOM 0 HG21 VAL A 23 21.353 25.635 31.960 1.00 10.00 H new ATOM 0 HG22 VAL A 23 20.180 25.328 33.263 1.00 10.00 H new ATOM 0 HG23 VAL A 23 21.013 26.897 33.167 1.00 10.00 H new ATOM 341 N VAL A 24 21.714 23.376 36.608 1.00 10.00 N ATOM 342 CA VAL A 24 20.831 22.230 37.091 1.00 10.00 C ATOM 343 C VAL A 24 20.439 22.325 38.591 1.00 10.00 C ATOM 344 O VAL A 24 19.524 21.670 39.031 1.00 10.00 O ATOM 345 CB VAL A 24 21.411 20.836 36.791 1.00 10.00 C ATOM 346 CG1 VAL A 24 22.464 20.360 37.864 1.00 10.00 C ATOM 347 CG2 VAL A 24 20.379 19.791 36.763 1.00 10.00 C ATOM 0 H VAL A 24 22.718 23.257 36.739 1.00 10.00 H new ATOM 0 HA VAL A 24 19.921 22.350 36.503 1.00 10.00 H new ATOM 0 HB VAL A 24 21.880 20.959 35.815 1.00 10.00 H new ATOM 0 HG11 VAL A 24 22.835 19.371 37.596 1.00 10.00 H new ATOM 0 HG12 VAL A 24 23.296 21.064 37.895 1.00 10.00 H new ATOM 0 HG13 VAL A 24 21.990 20.316 38.844 1.00 10.00 H new ATOM 0 HG21 VAL A 24 20.842 18.828 36.547 1.00 10.00 H new ATOM 0 HG22 VAL A 24 19.881 19.745 37.732 1.00 10.00 H new ATOM 0 HG23 VAL A 24 19.647 20.023 35.989 1.00 10.00 H new ATOM 357 N GLU A 25 21.172 23.115 39.318 1.00 10.00 N ATOM 358 CA GLU A 25 20.825 23.600 40.718 1.00 10.00 C ATOM 359 C GLU A 25 19.917 24.808 40.732 1.00 10.00 C ATOM 360 O GLU A 25 19.302 24.971 41.764 1.00 10.00 O ATOM 361 CB GLU A 25 22.105 23.915 41.555 1.00 10.00 C ATOM 362 CG GLU A 25 22.891 22.578 41.825 1.00 10.00 C ATOM 363 CD GLU A 25 22.132 21.786 42.810 1.00 10.00 C ATOM 364 OE1 GLU A 25 22.207 22.156 43.999 1.00 10.00 O ATOM 365 OE2 GLU A 25 21.310 20.836 42.499 1.00 10.00 O ATOM 0 H GLU A 25 22.066 23.479 38.987 1.00 10.00 H new ATOM 0 HA GLU A 25 20.282 22.771 41.173 1.00 10.00 H new ATOM 0 HB2 GLU A 25 22.739 24.621 41.019 1.00 10.00 H new ATOM 0 HB3 GLU A 25 21.830 24.386 42.499 1.00 10.00 H new ATOM 0 HG2 GLU A 25 23.014 22.016 40.899 1.00 10.00 H new ATOM 0 HG3 GLU A 25 23.891 22.795 42.201 1.00 10.00 H new ATOM 372 N GLU A 26 19.901 25.658 39.736 1.00 10.00 N ATOM 373 CA GLU A 26 19.038 26.858 39.520 1.00 10.00 C ATOM 374 C GLU A 26 17.636 26.422 39.003 1.00 10.00 C ATOM 375 O GLU A 26 16.664 27.127 39.270 1.00 10.00 O ATOM 376 CB GLU A 26 19.582 27.932 38.555 1.00 10.00 C ATOM 377 CG GLU A 26 20.728 28.737 39.198 1.00 10.00 C ATOM 378 CD GLU A 26 20.306 29.610 40.308 1.00 10.00 C ATOM 379 OE1 GLU A 26 19.485 30.537 40.121 1.00 10.00 O ATOM 380 OE2 GLU A 26 20.747 29.375 41.467 1.00 10.00 O ATOM 0 H GLU A 26 20.550 25.539 38.958 1.00 10.00 H new ATOM 0 HA GLU A 26 19.002 27.327 40.503 1.00 10.00 H new ATOM 0 HB2 GLU A 26 19.938 27.456 37.641 1.00 10.00 H new ATOM 0 HB3 GLU A 26 18.776 28.608 38.269 1.00 10.00 H new ATOM 0 HG2 GLU A 26 21.484 28.042 39.564 1.00 10.00 H new ATOM 0 HG3 GLU A 26 21.203 29.348 38.430 1.00 10.00 H new ATOM 387 N ALA A 27 17.571 25.182 38.369 1.00 10.00 N ATOM 388 CA ALA A 27 16.257 24.551 38.139 1.00 10.00 C ATOM 389 C ALA A 27 15.565 24.176 39.515 1.00 10.00 C ATOM 390 O ALA A 27 14.362 24.096 39.595 1.00 10.00 O ATOM 391 CB ALA A 27 16.337 23.359 37.238 1.00 10.00 C ATOM 0 H ALA A 27 18.376 24.651 38.037 1.00 10.00 H new ATOM 0 HA ALA A 27 15.639 25.288 37.626 1.00 10.00 H new ATOM 0 HB1 ALA A 27 15.341 22.936 37.105 1.00 10.00 H new ATOM 0 HB2 ALA A 27 16.735 23.661 36.269 1.00 10.00 H new ATOM 0 HB3 ALA A 27 16.993 22.610 37.683 1.00 10.00 H new