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 -81:sc= 1.22 USER MOD Single : A 10 SER OG : rot 76:sc= 1.19 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+ -168:sc= 1.11 (180deg=1.02) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 3 35.264 16.709 17.520 1.00 10.00 N ATOM 19 CA ASP A 3 35.409 17.852 18.435 1.00 10.00 C ATOM 20 C ASP A 3 36.111 19.066 17.788 1.00 10.00 C ATOM 21 O ASP A 3 35.954 20.196 18.251 1.00 10.00 O ATOM 22 CB ASP A 3 36.131 17.368 19.703 1.00 10.00 C ATOM 23 CG ASP A 3 36.028 18.346 20.883 1.00 10.00 C ATOM 24 OD1 ASP A 3 35.005 19.053 21.020 1.00 10.00 O ATOM 25 OD2 ASP A 3 36.965 18.387 21.715 1.00 10.00 O ATOM 0 HA ASP A 3 34.416 18.220 18.695 1.00 10.00 H new ATOM 0 HB2 ASP A 3 35.715 16.406 20.002 1.00 10.00 H new ATOM 0 HB3 ASP A 3 37.183 17.202 19.471 1.00 10.00 H new ATOM 30 N ALA A 4 36.813 18.880 16.662 1.00 10.00 N ATOM 31 CA ALA A 4 37.379 19.981 15.876 1.00 10.00 C ATOM 32 C ALA A 4 36.293 20.919 15.297 1.00 10.00 C ATOM 33 O ALA A 4 36.524 22.123 15.169 1.00 10.00 O ATOM 34 CB ALA A 4 38.255 19.387 14.767 1.00 10.00 C ATOM 0 H ALA A 4 37.004 17.958 16.271 1.00 10.00 H new ATOM 0 HA ALA A 4 37.984 20.605 16.534 1.00 10.00 H new ATOM 0 HB1 ALA A 4 38.685 20.193 14.172 1.00 10.00 H new ATOM 0 HB2 ALA A 4 39.057 18.798 15.213 1.00 10.00 H new ATOM 0 HB3 ALA A 4 37.648 18.747 14.127 1.00 10.00 H new ATOM 40 N ALA A 5 35.087 20.400 15.024 1.00 10.00 N ATOM 41 CA ALA A 5 33.921 21.193 14.610 1.00 10.00 C ATOM 42 C ALA A 5 33.261 21.971 15.777 1.00 10.00 C ATOM 43 O ALA A 5 32.407 22.830 15.547 1.00 10.00 O ATOM 44 CB ALA A 5 32.925 20.259 13.910 1.00 10.00 C ATOM 0 H ALA A 5 34.892 19.401 15.086 1.00 10.00 H new ATOM 0 HA ALA A 5 34.257 21.966 13.919 1.00 10.00 H new ATOM 0 HB1 ALA A 5 32.051 20.829 13.595 1.00 10.00 H new ATOM 0 HB2 ALA A 5 33.399 19.810 13.038 1.00 10.00 H new ATOM 0 HB3 ALA A 5 32.616 19.474 14.600 1.00 10.00 H new ATOM 50 N VAL A 6 33.678 21.694 17.021 1.00 10.00 N ATOM 51 CA VAL A 6 33.252 22.359 18.271 1.00 10.00 C ATOM 52 C VAL A 6 34.406 23.188 18.882 1.00 10.00 C ATOM 53 O VAL A 6 34.383 23.560 20.056 1.00 10.00 O ATOM 54 CB VAL A 6 32.681 21.336 19.283 1.00 10.00 C ATOM 55 CG1 VAL A 6 31.665 21.986 20.237 1.00 10.00 C ATOM 56 CG2 VAL A 6 31.942 20.152 18.633 1.00 10.00 C ATOM 0 H VAL A 6 34.362 20.958 17.197 1.00 10.00 H new ATOM 0 HA VAL A 6 32.448 23.053 18.025 1.00 10.00 H new ATOM 0 HB VAL A 6 33.567 20.975 19.806 1.00 10.00 H new ATOM 0 HG11 VAL A 6 31.287 21.236 20.932 1.00 10.00 H new ATOM 0 HG12 VAL A 6 32.151 22.786 20.796 1.00 10.00 H new ATOM 0 HG13 VAL A 6 30.836 22.397 19.661 1.00 10.00 H new ATOM 0 HG21 VAL A 6 31.573 19.482 19.410 1.00 10.00 H new ATOM 0 HG22 VAL A 6 31.102 20.525 18.047 1.00 10.00 H new ATOM 0 HG23 VAL A 6 32.627 19.609 17.981 1.00 10.00 H new ATOM 66 N ASP A 7 35.439 23.469 18.079 1.00 10.00 N ATOM 67 CA ASP A 7 36.668 24.192 18.452 1.00 10.00 C ATOM 68 C ASP A 7 37.414 23.564 19.654 1.00 10.00 C ATOM 69 O ASP A 7 37.928 24.253 20.540 1.00 10.00 O ATOM 70 CB ASP A 7 36.385 25.701 18.576 1.00 10.00 C ATOM 71 CG ASP A 7 37.668 26.553 18.641 1.00 10.00 C ATOM 72 OD1 ASP A 7 38.624 26.288 17.872 1.00 10.00 O ATOM 73 OD2 ASP A 7 37.706 27.534 19.425 1.00 10.00 O ATOM 0 H ASP A 7 35.444 23.185 17.099 1.00 10.00 H new ATOM 0 HA ASP A 7 37.387 24.080 17.641 1.00 10.00 H new ATOM 0 HB2 ASP A 7 35.785 26.023 17.725 1.00 10.00 H new ATOM 0 HB3 ASP A 7 35.791 25.881 19.472 1.00 10.00 H new ATOM 78 N THR A 8 37.465 22.226 19.677 1.00 10.00 N ATOM 79 CA THR A 8 38.043 21.388 20.740 1.00 10.00 C ATOM 80 C THR A 8 37.421 21.674 22.115 1.00 10.00 C ATOM 81 O THR A 8 38.067 22.182 23.038 1.00 10.00 O ATOM 82 CB THR A 8 39.584 21.414 20.757 1.00 10.00 C ATOM 83 OG1 THR A 8 40.109 21.269 19.446 1.00 10.00 O ATOM 84 CG2 THR A 8 40.153 20.240 21.560 1.00 10.00 C ATOM 0 H THR A 8 37.084 21.667 18.914 1.00 10.00 H new ATOM 0 HA THR A 8 37.774 20.360 20.495 1.00 10.00 H new ATOM 0 HB THR A 8 39.863 22.370 21.200 1.00 10.00 H new ATOM 0 HG1 THR A 8 41.088 21.290 19.482 1.00 10.00 H new ATOM 0 HG21 THR A 8 41.242 20.288 21.552 1.00 10.00 H new ATOM 0 HG22 THR A 8 39.795 20.295 22.588 1.00 10.00 H new ATOM 0 HG23 THR A 8 39.828 19.301 21.112 1.00 10.00 H new ATOM 92 N SER A 9 36.137 21.332 22.269 1.00 10.00 N ATOM 93 CA SER A 9 35.402 21.465 23.534 1.00 10.00 C ATOM 94 C SER A 9 35.996 20.623 24.675 1.00 10.00 C ATOM 95 O SER A 9 35.814 20.965 25.845 1.00 10.00 O ATOM 96 CB SER A 9 33.916 21.137 23.334 1.00 10.00 C ATOM 97 OG SER A 9 33.695 19.761 23.093 1.00 10.00 O ATOM 0 H SER A 9 35.572 20.951 21.511 1.00 10.00 H new ATOM 0 HA SER A 9 35.502 22.507 23.839 1.00 10.00 H new ATOM 0 HB2 SER A 9 33.357 21.442 24.219 1.00 10.00 H new ATOM 0 HB3 SER A 9 33.528 21.717 22.496 1.00 10.00 H new ATOM 0 HG SER A 9 33.867 19.562 22.149 1.00 10.00 H new ATOM 103 N SER A 10 36.782 19.587 24.357 1.00 10.00 N ATOM 104 CA SER A 10 37.484 18.725 25.323 1.00 10.00 C ATOM 105 C SER A 10 38.449 19.472 26.262 1.00 10.00 C ATOM 106 O SER A 10 38.787 18.945 27.322 1.00 10.00 O ATOM 107 CB SER A 10 38.278 17.637 24.584 1.00 10.00 C ATOM 108 OG SER A 10 37.446 16.871 23.735 1.00 10.00 O ATOM 0 H SER A 10 36.954 19.315 23.389 1.00 10.00 H new ATOM 0 HA SER A 10 36.697 18.298 25.945 1.00 10.00 H new ATOM 0 HB2 SER A 10 39.071 18.100 23.996 1.00 10.00 H new ATOM 0 HB3 SER A 10 38.760 16.982 25.309 1.00 10.00 H new ATOM 0 HG SER A 10 37.234 17.389 22.931 1.00 10.00 H new ATOM 114 N GLU A 11 38.884 20.692 25.916 1.00 10.00 N ATOM 115 CA GLU A 11 39.714 21.535 26.797 1.00 10.00 C ATOM 116 C GLU A 11 38.892 22.402 27.766 1.00 10.00 C ATOM 117 O GLU A 11 39.257 22.562 28.932 1.00 10.00 O ATOM 118 CB GLU A 11 40.668 22.406 25.963 1.00 10.00 C ATOM 119 CG GLU A 11 41.710 21.573 25.204 1.00 10.00 C ATOM 120 CD GLU A 11 42.745 22.483 24.513 1.00 10.00 C ATOM 121 OE1 GLU A 11 43.785 22.809 25.139 1.00 10.00 O ATOM 122 OE2 GLU A 11 42.538 22.875 23.338 1.00 10.00 O ATOM 0 H GLU A 11 38.672 21.125 25.017 1.00 10.00 H new ATOM 0 HA GLU A 11 40.295 20.854 27.419 1.00 10.00 H new ATOM 0 HB2 GLU A 11 40.089 22.995 25.251 1.00 10.00 H new ATOM 0 HB3 GLU A 11 41.179 23.111 26.619 1.00 10.00 H new ATOM 0 HG2 GLU A 11 42.216 20.899 25.895 1.00 10.00 H new ATOM 0 HG3 GLU A 11 41.212 20.951 24.460 1.00 10.00 H new ATOM 129 N ILE A 12 37.775 22.950 27.280 1.00 10.00 N ATOM 130 CA ILE A 12 36.890 23.875 28.023 1.00 10.00 C ATOM 131 C ILE A 12 35.759 23.220 28.819 1.00 10.00 C ATOM 132 O ILE A 12 35.141 23.866 29.658 1.00 10.00 O ATOM 133 CB ILE A 12 36.341 25.008 27.128 1.00 10.00 C ATOM 134 CG1 ILE A 12 35.470 24.462 25.973 1.00 10.00 C ATOM 135 CG2 ILE A 12 37.483 25.884 26.587 1.00 10.00 C ATOM 136 CD1 ILE A 12 34.342 25.420 25.584 1.00 10.00 C ATOM 0 H ILE A 12 37.445 22.762 26.333 1.00 10.00 H new ATOM 0 HA ILE A 12 37.554 24.302 28.774 1.00 10.00 H new ATOM 0 HB ILE A 12 35.698 25.629 27.752 1.00 10.00 H new ATOM 0 HG12 ILE A 12 36.101 24.277 25.103 1.00 10.00 H new ATOM 0 HG13 ILE A 12 35.043 23.503 26.267 1.00 10.00 H new ATOM 0 HG21 ILE A 12 37.070 26.674 25.960 1.00 10.00 H new ATOM 0 HG22 ILE A 12 38.026 26.329 27.421 1.00 10.00 H new ATOM 0 HG23 ILE A 12 38.164 25.271 25.996 1.00 10.00 H new ATOM 0 HD11 ILE A 12 33.762 24.987 24.769 1.00 10.00 H new ATOM 0 HD12 ILE A 12 33.692 25.585 26.444 1.00 10.00 H new ATOM 0 HD13 ILE A 12 34.767 26.371 25.262 1.00 10.00 H new ATOM 148 N THR A 13 35.464 21.951 28.560 1.00 10.00 N ATOM 149 CA THR A 13 34.356 21.177 29.150 1.00 10.00 C ATOM 150 C THR A 13 34.199 21.287 30.675 1.00 10.00 C ATOM 151 O THR A 13 33.071 21.262 31.156 1.00 10.00 O ATOM 152 CB THR A 13 34.504 19.709 28.715 1.00 10.00 C ATOM 153 OG1 THR A 13 33.498 18.872 29.250 1.00 10.00 O ATOM 154 CG2 THR A 13 35.863 19.124 29.124 1.00 10.00 C ATOM 0 H THR A 13 36.013 21.399 27.901 1.00 10.00 H new ATOM 0 HA THR A 13 33.436 21.619 28.768 1.00 10.00 H new ATOM 0 HB THR A 13 34.413 19.731 27.629 1.00 10.00 H new ATOM 0 HG1 THR A 13 33.639 17.953 28.941 1.00 10.00 H new ATOM 0 HG21 THR A 13 35.925 18.086 28.797 1.00 10.00 H new ATOM 0 HG22 THR A 13 36.662 19.700 28.657 1.00 10.00 H new ATOM 0 HG23 THR A 13 35.968 19.170 30.208 1.00 10.00 H new ATOM 162 N THR A 14 35.255 21.527 31.465 1.00 10.00 N ATOM 163 CA THR A 14 35.068 21.767 32.916 1.00 10.00 C ATOM 164 C THR A 14 34.349 23.090 33.203 1.00 10.00 C ATOM 165 O THR A 14 33.461 23.137 34.054 1.00 10.00 O ATOM 166 CB THR A 14 36.375 21.651 33.718 1.00 10.00 C ATOM 167 OG1 THR A 14 36.989 20.395 33.492 1.00 10.00 O ATOM 168 CG2 THR A 14 36.078 21.727 35.217 1.00 10.00 C ATOM 0 H THR A 14 36.222 21.561 31.144 1.00 10.00 H new ATOM 0 HA THR A 14 34.417 20.964 33.262 1.00 10.00 H new ATOM 0 HB THR A 14 37.027 22.464 33.399 1.00 10.00 H new ATOM 0 HG1 THR A 14 37.820 20.339 34.009 1.00 10.00 H new ATOM 0 HG21 THR A 14 37.009 21.644 35.777 1.00 10.00 H new ATOM 0 HG22 THR A 14 35.601 22.680 35.446 1.00 10.00 H new ATOM 0 HG23 THR A 14 35.412 20.911 35.498 1.00 10.00 H new ATOM 176 N LYS A 15 34.636 24.142 32.429 1.00 10.00 N ATOM 177 CA LYS A 15 33.903 25.425 32.475 1.00 10.00 C ATOM 178 C LYS A 15 32.444 25.232 32.053 1.00 10.00 C ATOM 179 O LYS A 15 31.539 25.764 32.693 1.00 10.00 O ATOM 180 CB LYS A 15 34.577 26.480 31.578 1.00 10.00 C ATOM 181 CG LYS A 15 36.031 26.783 31.973 1.00 10.00 C ATOM 182 CD LYS A 15 36.639 27.832 31.030 1.00 10.00 C ATOM 183 CE LYS A 15 38.072 28.172 31.467 1.00 10.00 C ATOM 184 NZ LYS A 15 38.679 29.226 30.605 1.00 10.00 N ATOM 0 H LYS A 15 35.391 24.133 31.743 1.00 10.00 H new ATOM 0 HA LYS A 15 33.926 25.783 33.504 1.00 10.00 H new ATOM 0 HB2 LYS A 15 34.554 26.134 30.544 1.00 10.00 H new ATOM 0 HB3 LYS A 15 33.998 27.403 31.618 1.00 10.00 H new ATOM 0 HG2 LYS A 15 36.067 27.145 33.000 1.00 10.00 H new ATOM 0 HG3 LYS A 15 36.622 25.868 31.937 1.00 10.00 H new ATOM 0 HD2 LYS A 15 36.643 27.454 30.008 1.00 10.00 H new ATOM 0 HD3 LYS A 15 36.026 28.734 31.034 1.00 10.00 H new ATOM 0 HE2 LYS A 15 38.065 28.510 32.503 1.00 10.00 H new ATOM 0 HE3 LYS A 15 38.687 27.273 31.429 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 39.646 29.428 30.932 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 38.709 28.894 29.620 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 38.107 30.093 30.661 1.00 10.00 H new ATOM 198 N ASP A 16 32.212 24.393 31.038 1.00 10.00 N ATOM 199 CA ASP A 16 30.862 23.966 30.650 1.00 10.00 C ATOM 200 C ASP A 16 30.161 23.176 31.766 1.00 10.00 C ATOM 201 O ASP A 16 28.963 23.341 31.965 1.00 10.00 O ATOM 202 CB ASP A 16 30.897 23.140 29.357 1.00 10.00 C ATOM 203 CG ASP A 16 29.475 22.918 28.813 1.00 10.00 C ATOM 204 OD1 ASP A 16 28.925 23.834 28.158 1.00 10.00 O ATOM 205 OD2 ASP A 16 28.888 21.830 29.029 1.00 10.00 O ATOM 0 H ASP A 16 32.952 23.991 30.463 1.00 10.00 H new ATOM 0 HA ASP A 16 30.283 24.873 30.474 1.00 10.00 H new ATOM 0 HB2 ASP A 16 31.502 23.652 28.609 1.00 10.00 H new ATOM 0 HB3 ASP A 16 31.373 22.178 29.547 1.00 10.00 H new ATOM 210 N LEU A 17 30.870 22.372 32.566 1.00 10.00 N ATOM 211 CA LEU A 17 30.218 21.540 33.578 1.00 10.00 C ATOM 212 C LEU A 17 29.879 22.319 34.847 1.00 10.00 C ATOM 213 O LEU A 17 28.868 22.027 35.482 1.00 10.00 O ATOM 214 CB LEU A 17 31.058 20.276 33.821 1.00 10.00 C ATOM 215 CG LEU A 17 30.928 19.275 32.657 1.00 10.00 C ATOM 216 CD1 LEU A 17 32.063 18.251 32.716 1.00 10.00 C ATOM 217 CD2 LEU A 17 29.601 18.512 32.700 1.00 10.00 C ATOM 0 H LEU A 17 31.885 22.281 32.532 1.00 10.00 H new ATOM 0 HA LEU A 17 29.247 21.217 33.203 1.00 10.00 H new ATOM 0 HB2 LEU A 17 32.105 20.553 33.948 1.00 10.00 H new ATOM 0 HB3 LEU A 17 30.740 19.800 34.748 1.00 10.00 H new ATOM 0 HG LEU A 17 30.973 19.855 31.736 1.00 10.00 H new ATOM 0 HD11 LEU A 17 31.962 17.548 31.889 1.00 10.00 H new ATOM 0 HD12 LEU A 17 33.021 18.765 32.640 1.00 10.00 H new ATOM 0 HD13 LEU A 17 32.016 17.709 33.661 1.00 10.00 H new ATOM 0 HD21 LEU A 17 29.553 17.818 31.861 1.00 10.00 H new ATOM 0 HD22 LEU A 17 29.531 17.956 33.635 1.00 10.00 H new ATOM 0 HD23 LEU A 17 28.773 19.218 32.635 1.00 10.00 H new ATOM 229 N LYS A 18 30.628 23.383 35.162 1.00 10.00 N ATOM 230 CA LYS A 18 30.197 24.353 36.185 1.00 10.00 C ATOM 231 C LYS A 18 28.963 25.120 35.721 1.00 10.00 C ATOM 232 O LYS A 18 28.145 25.503 36.550 1.00 10.00 O ATOM 233 CB LYS A 18 31.345 25.303 36.571 1.00 10.00 C ATOM 234 CG LYS A 18 32.245 24.740 37.679 1.00 10.00 C ATOM 235 CD LYS A 18 33.215 23.637 37.222 1.00 10.00 C ATOM 236 CE LYS A 18 34.009 23.023 38.389 1.00 10.00 C ATOM 237 NZ LYS A 18 34.955 23.986 39.027 1.00 10.00 N ATOM 0 H LYS A 18 31.527 23.596 34.730 1.00 10.00 H new ATOM 0 HA LYS A 18 29.922 23.798 37.082 1.00 10.00 H new ATOM 0 HB2 LYS A 18 31.951 25.509 35.688 1.00 10.00 H new ATOM 0 HB3 LYS A 18 30.927 26.254 36.899 1.00 10.00 H new ATOM 0 HG2 LYS A 18 32.823 25.558 38.109 1.00 10.00 H new ATOM 0 HG3 LYS A 18 31.614 24.343 38.474 1.00 10.00 H new ATOM 0 HD2 LYS A 18 32.653 22.851 36.717 1.00 10.00 H new ATOM 0 HD3 LYS A 18 33.911 24.051 36.492 1.00 10.00 H new ATOM 0 HE2 LYS A 18 33.311 22.656 39.142 1.00 10.00 H new ATOM 0 HE3 LYS A 18 34.568 22.161 38.026 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 35.459 23.514 39.805 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 35.642 24.318 38.320 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 34.424 24.798 39.401 1.00 10.00 H new ATOM 251 N GLU A 19 28.756 25.244 34.411 1.00 10.00 N ATOM 252 CA GLU A 19 27.494 25.723 33.854 1.00 10.00 C ATOM 253 C GLU A 19 26.387 24.701 34.126 1.00 10.00 C ATOM 254 O GLU A 19 25.365 25.025 34.726 1.00 10.00 O ATOM 255 CB GLU A 19 27.647 25.981 32.347 1.00 10.00 C ATOM 256 CG GLU A 19 26.805 27.182 31.934 1.00 10.00 C ATOM 257 CD GLU A 19 26.847 27.399 30.410 1.00 10.00 C ATOM 258 OE1 GLU A 19 26.026 26.785 29.684 1.00 10.00 O ATOM 259 OE2 GLU A 19 27.688 28.197 29.927 1.00 10.00 O ATOM 0 H GLU A 19 29.458 25.015 33.707 1.00 10.00 H new ATOM 0 HA GLU A 19 27.221 26.663 34.333 1.00 10.00 H new ATOM 0 HB2 GLU A 19 28.695 26.161 32.105 1.00 10.00 H new ATOM 0 HB3 GLU A 19 27.337 25.099 31.786 1.00 10.00 H new ATOM 0 HG2 GLU A 19 25.774 27.033 32.254 1.00 10.00 H new ATOM 0 HG3 GLU A 19 27.170 28.076 32.441 1.00 10.00 H new ATOM 266 N LYS A 20 26.636 23.428 33.796 1.00 10.00 N ATOM 267 CA LYS A 20 25.649 22.335 33.939 1.00 10.00 C ATOM 268 C LYS A 20 25.263 22.009 35.392 1.00 10.00 C ATOM 269 O LYS A 20 24.224 21.404 35.613 1.00 10.00 O ATOM 270 CB LYS A 20 26.134 21.054 33.227 1.00 10.00 C ATOM 271 CG LYS A 20 26.289 21.151 31.699 1.00 10.00 C ATOM 272 CD LYS A 20 25.019 21.639 30.984 1.00 10.00 C ATOM 273 CE LYS A 20 25.082 21.426 29.465 1.00 10.00 C ATOM 274 NZ LYS A 20 26.128 22.257 28.803 1.00 10.00 N ATOM 0 H LYS A 20 27.532 23.119 33.419 1.00 10.00 H new ATOM 0 HA LYS A 20 24.745 22.710 33.460 1.00 10.00 H new ATOM 0 HB2 LYS A 20 27.096 20.767 33.653 1.00 10.00 H new ATOM 0 HB3 LYS A 20 25.433 20.250 33.451 1.00 10.00 H new ATOM 0 HG2 LYS A 20 27.110 21.829 31.467 1.00 10.00 H new ATOM 0 HG3 LYS A 20 26.564 20.172 31.307 1.00 10.00 H new ATOM 0 HD2 LYS A 20 24.154 21.112 31.386 1.00 10.00 H new ATOM 0 HD3 LYS A 20 24.872 22.699 31.193 1.00 10.00 H new ATOM 0 HE2 LYS A 20 25.278 20.374 29.259 1.00 10.00 H new ATOM 0 HE3 LYS A 20 24.110 21.661 29.030 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 25.993 22.229 27.772 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 26.053 23.240 29.135 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 27.069 21.883 29.039 1.00 10.00 H new ATOM 288 N LYS A 21 26.062 22.417 36.380 1.00 10.00 N ATOM 289 CA LYS A 21 25.799 22.340 37.833 1.00 10.00 C ATOM 290 C LYS A 21 25.100 23.584 38.399 1.00 10.00 C ATOM 291 O LYS A 21 24.406 23.508 39.406 1.00 10.00 O ATOM 292 CB LYS A 21 27.116 22.040 38.572 1.00 10.00 C ATOM 293 CG LYS A 21 27.570 20.591 38.325 1.00 10.00 C ATOM 294 CD LYS A 21 28.897 20.288 39.038 1.00 10.00 C ATOM 295 CE LYS A 21 29.385 18.849 38.794 1.00 10.00 C ATOM 296 NZ LYS A 21 28.544 17.826 39.482 1.00 10.00 N ATOM 0 H LYS A 21 26.970 22.838 36.182 1.00 10.00 H new ATOM 0 HA LYS A 21 25.094 21.525 37.997 1.00 10.00 H new ATOM 0 HB2 LYS A 21 27.891 22.730 38.236 1.00 10.00 H new ATOM 0 HB3 LYS A 21 26.983 22.206 39.641 1.00 10.00 H new ATOM 0 HG2 LYS A 21 26.801 19.903 38.677 1.00 10.00 H new ATOM 0 HG3 LYS A 21 27.684 20.422 37.254 1.00 10.00 H new ATOM 0 HD2 LYS A 21 29.658 20.989 38.695 1.00 10.00 H new ATOM 0 HD3 LYS A 21 28.775 20.450 40.109 1.00 10.00 H new ATOM 0 HE2 LYS A 21 29.388 18.649 37.723 1.00 10.00 H new ATOM 0 HE3 LYS A 21 30.415 18.757 39.139 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 28.919 16.877 39.282 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 28.560 17.996 40.508 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 27.565 17.891 39.136 1.00 10.00 H new ATOM 310 N GLU A 22 25.258 24.727 37.739 1.00 10.00 N ATOM 311 CA GLU A 22 24.736 26.035 38.171 1.00 10.00 C ATOM 312 C GLU A 22 23.341 26.233 37.589 1.00 10.00 C ATOM 313 O GLU A 22 22.381 26.462 38.322 1.00 10.00 O ATOM 314 CB GLU A 22 25.707 27.161 37.781 1.00 10.00 C ATOM 315 CG GLU A 22 25.221 28.538 38.247 1.00 10.00 C ATOM 316 CD GLU A 22 26.266 29.625 37.929 1.00 10.00 C ATOM 317 OE1 GLU A 22 26.268 30.159 36.792 1.00 10.00 O ATOM 318 OE2 GLU A 22 27.089 29.964 38.816 1.00 10.00 O ATOM 0 H GLU A 22 25.769 24.778 36.858 1.00 10.00 H new ATOM 0 HA GLU A 22 24.653 26.065 39.257 1.00 10.00 H new ATOM 0 HB2 GLU A 22 26.687 26.959 38.214 1.00 10.00 H new ATOM 0 HB3 GLU A 22 25.833 27.170 36.698 1.00 10.00 H new ATOM 0 HG2 GLU A 22 24.278 28.780 37.758 1.00 10.00 H new ATOM 0 HG3 GLU A 22 25.027 28.516 39.319 1.00 10.00 H new ATOM 325 N VAL A 23 23.223 26.015 36.272 1.00 10.00 N ATOM 326 CA VAL A 23 21.944 25.909 35.566 1.00 10.00 C ATOM 327 C VAL A 23 21.059 24.870 36.238 1.00 10.00 C ATOM 328 O VAL A 23 19.847 25.069 36.323 1.00 10.00 O ATOM 329 CB VAL A 23 22.168 25.531 34.084 1.00 10.00 C ATOM 330 CG1 VAL A 23 22.319 24.037 33.771 1.00 10.00 C ATOM 331 CG2 VAL A 23 21.015 26.045 33.223 1.00 10.00 C ATOM 0 H VAL A 23 24.030 25.906 35.658 1.00 10.00 H new ATOM 0 HA VAL A 23 21.449 26.879 35.606 1.00 10.00 H new ATOM 0 HB VAL A 23 23.125 26.001 33.856 1.00 10.00 H new ATOM 0 HG11 VAL A 23 22.471 23.903 32.700 1.00 10.00 H new ATOM 0 HG12 VAL A 23 23.177 23.637 34.312 1.00 10.00 H new ATOM 0 HG13 VAL A 23 21.417 23.508 34.079 1.00 10.00 H new ATOM 0 HG21 VAL A 23 21.188 25.771 32.182 1.00 10.00 H new ATOM 0 HG22 VAL A 23 20.080 25.601 33.565 1.00 10.00 H new ATOM 0 HG23 VAL A 23 20.954 27.130 33.307 1.00 10.00 H new ATOM 341 N VAL A 24 21.668 23.779 36.740 1.00 10.00 N ATOM 342 CA VAL A 24 20.813 22.697 37.297 1.00 10.00 C ATOM 343 C VAL A 24 20.383 22.945 38.747 1.00 10.00 C ATOM 344 O VAL A 24 19.245 22.641 39.101 1.00 10.00 O ATOM 345 CB VAL A 24 21.369 21.293 37.036 1.00 10.00 C ATOM 346 CG1 VAL A 24 22.317 20.821 38.142 1.00 10.00 C ATOM 347 CG2 VAL A 24 20.258 20.255 36.861 1.00 10.00 C ATOM 0 H VAL A 24 22.675 23.620 36.776 1.00 10.00 H new ATOM 0 HA VAL A 24 19.883 22.735 36.729 1.00 10.00 H new ATOM 0 HB VAL A 24 21.930 21.377 36.106 1.00 10.00 H new ATOM 0 HG11 VAL A 24 22.681 19.821 37.907 1.00 10.00 H new ATOM 0 HG12 VAL A 24 23.161 21.507 38.215 1.00 10.00 H new ATOM 0 HG13 VAL A 24 21.784 20.799 39.093 1.00 10.00 H new ATOM 0 HG21 VAL A 24 20.700 19.276 36.678 1.00 10.00 H new ATOM 0 HG22 VAL A 24 19.651 20.216 37.765 1.00 10.00 H new ATOM 0 HG23 VAL A 24 19.630 20.533 36.014 1.00 10.00 H new ATOM 357 N GLU A 25 21.216 23.589 39.571 1.00 10.00 N ATOM 358 CA GLU A 25 20.787 24.063 40.894 1.00 10.00 C ATOM 359 C GLU A 25 19.716 25.160 40.780 1.00 10.00 C ATOM 360 O GLU A 25 18.730 25.145 41.515 1.00 10.00 O ATOM 361 CB GLU A 25 21.989 24.544 41.718 1.00 10.00 C ATOM 362 CG GLU A 25 22.715 23.385 42.413 1.00 10.00 C ATOM 363 CD GLU A 25 23.791 23.913 43.383 1.00 10.00 C ATOM 364 OE1 GLU A 25 24.952 24.147 42.964 1.00 10.00 O ATOM 365 OE2 GLU A 25 23.486 24.097 44.588 1.00 10.00 O ATOM 0 H GLU A 25 22.190 23.794 39.347 1.00 10.00 H new ATOM 0 HA GLU A 25 20.334 23.221 41.417 1.00 10.00 H new ATOM 0 HB2 GLU A 25 22.687 25.070 41.067 1.00 10.00 H new ATOM 0 HB3 GLU A 25 21.651 25.260 42.467 1.00 10.00 H new ATOM 0 HG2 GLU A 25 21.995 22.775 42.959 1.00 10.00 H new ATOM 0 HG3 GLU A 25 23.178 22.740 41.666 1.00 10.00 H new ATOM 372 N GLU A 26 19.836 26.051 39.796 1.00 10.00 N ATOM 373 CA GLU A 26 18.811 27.056 39.476 1.00 10.00 C ATOM 374 C GLU A 26 17.507 26.456 38.909 1.00 10.00 C ATOM 375 O GLU A 26 16.470 27.124 38.942 1.00 10.00 O ATOM 376 CB GLU A 26 19.383 28.114 38.516 1.00 10.00 C ATOM 377 CG GLU A 26 20.342 29.097 39.203 1.00 10.00 C ATOM 378 CD GLU A 26 19.580 30.088 40.110 1.00 10.00 C ATOM 379 OE1 GLU A 26 19.333 29.773 41.300 1.00 10.00 O ATOM 380 OE2 GLU A 26 19.219 31.193 39.635 1.00 10.00 O ATOM 0 H GLU A 26 20.655 26.099 39.190 1.00 10.00 H new ATOM 0 HA GLU A 26 18.538 27.526 40.421 1.00 10.00 H new ATOM 0 HB2 GLU A 26 19.908 27.612 37.703 1.00 10.00 H new ATOM 0 HB3 GLU A 26 18.561 28.672 38.068 1.00 10.00 H new ATOM 0 HG2 GLU A 26 21.069 28.543 39.797 1.00 10.00 H new ATOM 0 HG3 GLU A 26 20.902 29.649 38.448 1.00 10.00 H new ATOM 387 N ALA A 27 17.522 25.200 38.444 1.00 10.00 N ATOM 388 CA ALA A 27 16.314 24.452 38.080 1.00 10.00 C ATOM 389 C ALA A 27 15.631 23.786 39.298 1.00 10.00 C ATOM 390 O ALA A 27 14.429 23.510 39.255 1.00 10.00 O ATOM 391 CB ALA A 27 16.666 23.434 36.987 1.00 10.00 C ATOM 0 H ALA A 27 18.383 24.670 38.309 1.00 10.00 H new ATOM 0 HA ALA A 27 15.578 25.155 37.691 1.00 10.00 H new ATOM 0 HB1 ALA A 27 15.773 22.873 36.711 1.00 10.00 H new ATOM 0 HB2 ALA A 27 17.051 23.958 36.112 1.00 10.00 H new ATOM 0 HB3 ALA A 27 17.425 22.746 37.361 1.00 10.00 H new